USER MOD reduce.3.24.130724 H: found=0, std=0, add=766, rem=0, adj=6 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 64 GLN : amide:sc= -0.0361 X(o=-0.5,f=-0.38) USER MOD Set 1.2: A 67 GLN : amide:sc= -0.464 X(o=-0.5,f=-0.38) USER MOD Set 2.1: A 9 THR OG1 : rot -74:sc= 2.05 USER MOD Set 2.2: A 46 HIS : no HE2:sc= 1.15 K(o=3.2,f=-6.3!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -0.311 X(o=-0.31,f=-0.4) USER MOD Single : A 15 GLN : amide:sc= -0.879 K(o=-0.88,f=-3!) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot -20:sc= -2.19 USER MOD Single : A 34 GLN : amide:sc= -0.29 X(o=-0.29,f=-0.51) USER MOD Single : A 44 GLN :FLIP amide:sc= -0.0255 F(o=-1.2!,f=-0.025) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -0.206 K(o=-0.21,f=-0.99) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= -0.177 K(o=-0.18,f=-0.88) USER MOD Single : A 73 GLN : amide:sc= -0.304 X(o=-0.3,f=-0.47) USER MOD Single : A 81 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00901) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 71:sc= 1.21 USER MOD Single : A 89 GLN : amide:sc= -1.16 K(o=-1.2,f=-4!) USER MOD Single : A 96 GLN : amide:sc= 0.587 K(o=0.59,f=-0.56) USER MOD Single : A 99 GLN : amide:sc= 0.969 K(o=0.97,f=-5.8!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 64 N LYS A 5 -5.086 -4.926 -9.312 1.00 0.00 N ATOM 65 CA LYS A 5 -5.308 -3.965 -10.383 1.00 0.00 C ATOM 66 C LYS A 5 -5.032 -4.615 -11.739 1.00 0.00 C ATOM 67 O LYS A 5 -5.759 -4.383 -12.704 1.00 0.00 O ATOM 68 CB LYS A 5 -4.426 -2.723 -10.186 1.00 0.00 C ATOM 69 CG LYS A 5 -4.592 -1.662 -11.272 1.00 0.00 C ATOM 70 CD LYS A 5 -6.020 -1.140 -11.347 1.00 0.00 C ATOM 71 CE LYS A 5 -6.383 -0.325 -10.123 1.00 0.00 C ATOM 72 NZ LYS A 5 -7.811 0.062 -10.122 1.00 0.00 N1+ ATOM 0 HA LYS A 5 -6.350 -3.647 -10.356 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -4.656 -2.277 -9.219 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -3.382 -3.034 -10.153 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -3.913 -0.833 -11.075 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -4.309 -2.083 -12.237 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -6.137 -0.527 -12.240 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -6.710 -1.979 -11.444 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -6.162 -0.901 -9.225 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -5.764 0.571 -10.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -8.019 0.618 -9.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -8.016 0.633 -10.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -8.402 -0.793 -10.131 1.00 0.00 H new ATOM 86 N LEU A 6 -3.952 -5.402 -11.802 1.00 0.00 N ATOM 87 CA LEU A 6 -3.638 -6.177 -13.016 1.00 0.00 C ATOM 88 C LEU A 6 -4.873 -6.938 -13.486 1.00 0.00 C ATOM 89 O LEU A 6 -5.283 -6.814 -14.648 1.00 0.00 O ATOM 90 CB LEU A 6 -2.493 -7.184 -12.768 1.00 0.00 C ATOM 91 CG LEU A 6 -1.056 -6.711 -13.057 1.00 0.00 C ATOM 92 CD1 LEU A 6 -0.918 -6.215 -14.487 1.00 0.00 C ATOM 93 CD2 LEU A 6 -0.612 -5.651 -12.066 1.00 0.00 C ATOM 0 H LEU A 6 -3.286 -5.521 -11.039 1.00 0.00 H new ATOM 0 HA LEU A 6 -3.319 -5.469 -13.781 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -2.541 -7.498 -11.725 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.685 -8.068 -13.376 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.397 -7.571 -12.937 1.00 0.00 H new ATOM 0 HD11 LEU A 6 0.107 -5.888 -14.661 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -1.164 -7.022 -15.177 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -1.598 -5.379 -14.649 1.00 0.00 H new ATOM 0 HD21 LEU A 6 0.406 -5.339 -12.298 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.278 -4.791 -12.130 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -0.644 -6.060 -11.056 1.00 0.00 H new ATOM 105 N ARG A 7 -5.461 -7.714 -12.581 1.00 0.00 N ATOM 106 CA ARG A 7 -6.676 -8.466 -12.876 1.00 0.00 C ATOM 107 C ARG A 7 -7.859 -7.546 -13.207 1.00 0.00 C ATOM 108 O ARG A 7 -8.575 -7.782 -14.178 1.00 0.00 O ATOM 109 CB ARG A 7 -7.039 -9.376 -11.695 1.00 0.00 C ATOM 110 CG ARG A 7 -8.360 -10.105 -11.871 1.00 0.00 C ATOM 111 CD ARG A 7 -8.284 -11.160 -12.963 1.00 0.00 C ATOM 112 NE ARG A 7 -9.593 -11.416 -13.554 1.00 0.00 N ATOM 113 CZ ARG A 7 -10.028 -12.599 -13.982 1.00 0.00 C ATOM 114 NH1 ARG A 7 -9.297 -13.693 -13.799 1.00 0.00 N1+ ATOM 115 NH2 ARG A 7 -11.206 -12.687 -14.586 1.00 0.00 N ATOM 0 H ARG A 7 -5.113 -7.839 -11.631 1.00 0.00 H new ATOM 0 HA ARG A 7 -6.472 -9.074 -13.757 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -6.245 -10.109 -11.555 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -7.083 -8.777 -10.786 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -8.643 -10.576 -10.930 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -9.142 -9.386 -12.115 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -7.592 -10.833 -13.739 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -7.884 -12.085 -12.549 1.00 0.00 H new ATOM 0 HE ARG A 7 -10.227 -10.623 -13.647 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -8.395 -13.631 -13.327 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -9.638 -14.595 -14.130 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -11.774 -11.850 -14.721 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -11.544 -13.591 -14.916 1.00 0.00 H new ATOM 129 N GLN A 8 -8.045 -6.505 -12.408 1.00 0.00 N ATOM 130 CA GLN A 8 -9.169 -5.588 -12.613 1.00 0.00 C ATOM 131 C GLN A 8 -9.106 -4.913 -13.976 1.00 0.00 C ATOM 132 O GLN A 8 -10.105 -4.876 -14.690 1.00 0.00 O ATOM 133 CB GLN A 8 -9.247 -4.538 -11.503 1.00 0.00 C ATOM 134 CG GLN A 8 -9.538 -5.116 -10.127 1.00 0.00 C ATOM 135 CD GLN A 8 -10.742 -6.032 -10.126 1.00 0.00 C ATOM 136 OE1 GLN A 8 -10.619 -7.237 -10.323 1.00 0.00 O ATOM 137 NE2 GLN A 8 -11.908 -5.468 -9.909 1.00 0.00 N ATOM 0 H GLN A 8 -7.442 -6.271 -11.619 1.00 0.00 H new ATOM 0 HA GLN A 8 -10.076 -6.191 -12.577 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -8.304 -3.993 -11.465 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -10.023 -3.815 -11.754 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -8.666 -5.668 -9.776 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -9.705 -4.301 -9.422 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -11.966 -4.462 -9.750 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -12.755 -6.036 -9.900 1.00 0.00 H new ATOM 146 N THR A 9 -7.938 -4.407 -14.355 1.00 0.00 N ATOM 147 CA THR A 9 -7.773 -3.802 -15.671 1.00 0.00 C ATOM 148 C THR A 9 -7.939 -4.839 -16.778 1.00 0.00 C ATOM 149 O THR A 9 -8.321 -4.508 -17.900 1.00 0.00 O ATOM 150 CB THR A 9 -6.402 -3.108 -15.809 1.00 0.00 C ATOM 151 OG1 THR A 9 -5.357 -3.987 -15.359 1.00 0.00 O ATOM 152 CG2 THR A 9 -6.365 -1.817 -15.005 1.00 0.00 C ATOM 0 H THR A 9 -7.098 -4.403 -13.776 1.00 0.00 H new ATOM 0 HA THR A 9 -8.553 -3.048 -15.774 1.00 0.00 H new ATOM 0 HB THR A 9 -6.247 -2.868 -16.861 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.375 -4.043 -14.381 1.00 0.00 H new ATOM 0 HG21 THR A 9 -5.389 -1.346 -15.118 1.00 0.00 H new ATOM 0 HG22 THR A 9 -7.139 -1.140 -15.368 1.00 0.00 H new ATOM 0 HG23 THR A 9 -6.541 -2.039 -13.952 1.00 0.00 H new ATOM 160 N GLY A 10 -7.658 -6.094 -16.449 1.00 0.00 N ATOM 161 CA GLY A 10 -7.837 -7.161 -17.402 1.00 0.00 C ATOM 162 C GLY A 10 -9.304 -7.413 -17.645 1.00 0.00 C ATOM 163 O GLY A 10 -9.758 -7.436 -18.787 1.00 0.00 O ATOM 0 H GLY A 10 -7.309 -6.387 -15.537 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -7.346 -6.904 -18.341 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -7.362 -8.070 -17.032 1.00 0.00 H new ATOM 167 N ASP A 11 -10.046 -7.605 -16.555 1.00 0.00 N ATOM 168 CA ASP A 11 -11.498 -7.788 -16.621 1.00 0.00 C ATOM 169 C ASP A 11 -12.161 -6.629 -17.346 1.00 0.00 C ATOM 170 O ASP A 11 -13.016 -6.837 -18.203 1.00 0.00 O ATOM 171 CB ASP A 11 -12.106 -7.941 -15.221 1.00 0.00 C ATOM 172 CG ASP A 11 -11.873 -9.309 -14.620 1.00 0.00 C ATOM 173 OD1 ASP A 11 -12.287 -10.317 -15.233 1.00 0.00 O ATOM 174 OD2 ASP A 11 -11.287 -9.388 -13.525 1.00 0.00 O1- ATOM 0 H ASP A 11 -9.664 -7.638 -15.610 1.00 0.00 H new ATOM 0 HA ASP A 11 -11.682 -8.705 -17.180 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -11.681 -7.184 -14.562 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -13.178 -7.752 -15.274 1.00 0.00 H new ATOM 179 N GLU A 12 -11.747 -5.407 -17.010 1.00 0.00 N ATOM 180 CA GLU A 12 -12.299 -4.213 -17.648 1.00 0.00 C ATOM 181 C GLU A 12 -12.012 -4.225 -19.143 1.00 0.00 C ATOM 182 O GLU A 12 -12.872 -3.876 -19.953 1.00 0.00 O ATOM 183 CB GLU A 12 -11.744 -2.936 -17.017 1.00 0.00 C ATOM 184 CG GLU A 12 -12.141 -2.743 -15.565 1.00 0.00 C ATOM 185 CD GLU A 12 -11.810 -1.361 -15.055 1.00 0.00 C ATOM 186 OE1 GLU A 12 -12.638 -0.446 -15.239 1.00 0.00 O ATOM 187 OE2 GLU A 12 -10.730 -1.176 -14.458 1.00 0.00 O1- ATOM 0 H GLU A 12 -11.035 -5.219 -16.304 1.00 0.00 H new ATOM 0 HA GLU A 12 -13.378 -4.226 -17.494 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -10.656 -2.951 -17.087 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -12.088 -2.078 -17.594 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -13.211 -2.920 -15.457 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -11.632 -3.485 -14.950 1.00 0.00 H new ATOM 194 N LEU A 13 -10.801 -4.628 -19.503 1.00 0.00 N ATOM 195 CA LEU A 13 -10.419 -4.739 -20.898 1.00 0.00 C ATOM 196 C LEU A 13 -11.312 -5.749 -21.618 1.00 0.00 C ATOM 197 O LEU A 13 -11.751 -5.507 -22.738 1.00 0.00 O ATOM 198 CB LEU A 13 -8.945 -5.145 -21.013 1.00 0.00 C ATOM 199 CG LEU A 13 -8.379 -5.231 -22.431 1.00 0.00 C ATOM 200 CD1 LEU A 13 -8.500 -3.890 -23.137 1.00 0.00 C ATOM 201 CD2 LEU A 13 -6.928 -5.686 -22.392 1.00 0.00 C ATOM 0 H LEU A 13 -10.066 -4.884 -18.843 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.549 -3.767 -21.374 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.347 -4.430 -20.448 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.818 -6.116 -20.534 1.00 0.00 H new ATOM 0 HG LEU A 13 -8.958 -5.965 -22.992 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -8.092 -3.971 -24.144 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.550 -3.602 -23.193 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -7.945 -3.135 -22.581 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -6.537 -5.743 -23.408 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -6.338 -4.973 -21.816 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.867 -6.669 -21.924 1.00 0.00 H new ATOM 213 N VAL A 14 -11.579 -6.877 -20.966 1.00 0.00 N ATOM 214 CA VAL A 14 -12.481 -7.887 -21.520 1.00 0.00 C ATOM 215 C VAL A 14 -13.883 -7.300 -21.710 1.00 0.00 C ATOM 216 O VAL A 14 -14.517 -7.507 -22.745 1.00 0.00 O ATOM 217 CB VAL A 14 -12.570 -9.136 -20.611 1.00 0.00 C ATOM 218 CG1 VAL A 14 -13.526 -10.166 -21.199 1.00 0.00 C ATOM 219 CG2 VAL A 14 -11.194 -9.746 -20.404 1.00 0.00 C ATOM 0 H VAL A 14 -11.186 -7.116 -20.056 1.00 0.00 H new ATOM 0 HA VAL A 14 -12.073 -8.192 -22.484 1.00 0.00 H new ATOM 0 HB VAL A 14 -12.958 -8.823 -19.642 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -13.573 -11.035 -20.543 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -14.520 -9.728 -21.292 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -13.171 -10.472 -22.183 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -11.278 -10.623 -19.762 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -10.778 -10.040 -21.368 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -10.538 -9.013 -19.934 1.00 0.00 H new ATOM 229 N GLN A 15 -14.346 -6.566 -20.703 1.00 0.00 N ATOM 230 CA GLN A 15 -15.653 -5.906 -20.759 1.00 0.00 C ATOM 231 C GLN A 15 -15.725 -4.975 -21.965 1.00 0.00 C ATOM 232 O GLN A 15 -16.706 -4.980 -22.710 1.00 0.00 O ATOM 233 CB GLN A 15 -15.906 -5.105 -19.477 1.00 0.00 C ATOM 234 CG GLN A 15 -15.944 -5.949 -18.214 1.00 0.00 C ATOM 235 CD GLN A 15 -16.028 -5.112 -16.952 1.00 0.00 C ATOM 236 OE1 GLN A 15 -15.540 -3.979 -16.901 1.00 0.00 O ATOM 237 NE2 GLN A 15 -16.637 -5.663 -15.925 1.00 0.00 N ATOM 0 H GLN A 15 -13.836 -6.411 -19.834 1.00 0.00 H new ATOM 0 HA GLN A 15 -16.419 -6.675 -20.854 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -15.126 -4.350 -19.373 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -16.853 -4.574 -19.574 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -16.801 -6.621 -18.257 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -15.051 -6.573 -18.172 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -17.027 -6.602 -16.007 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -16.719 -5.152 -15.046 1.00 0.00 H new ATOM 246 N ALA A 16 -14.674 -4.195 -22.160 1.00 0.00 N ATOM 247 CA ALA A 16 -14.598 -3.271 -23.279 1.00 0.00 C ATOM 248 C ALA A 16 -14.487 -4.016 -24.610 1.00 0.00 C ATOM 249 O ALA A 16 -15.101 -3.624 -25.597 1.00 0.00 O ATOM 250 CB ALA A 16 -13.421 -2.330 -23.096 1.00 0.00 C ATOM 0 H ALA A 16 -13.855 -4.184 -21.552 1.00 0.00 H new ATOM 0 HA ALA A 16 -15.519 -2.689 -23.302 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -13.372 -1.641 -23.939 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -13.547 -1.765 -22.172 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -12.498 -2.908 -23.045 1.00 0.00 H new ATOM 256 N PHE A 17 -13.704 -5.090 -24.627 1.00 0.00 N ATOM 257 CA PHE A 17 -13.516 -5.891 -25.835 1.00 0.00 C ATOM 258 C PHE A 17 -14.817 -6.573 -26.257 1.00 0.00 C ATOM 259 O PHE A 17 -15.166 -6.590 -27.438 1.00 0.00 O ATOM 260 CB PHE A 17 -12.415 -6.939 -25.622 1.00 0.00 C ATOM 261 CG PHE A 17 -12.198 -7.840 -26.806 1.00 0.00 C ATOM 262 CD1 PHE A 17 -11.529 -7.381 -27.928 1.00 0.00 C ATOM 263 CD2 PHE A 17 -12.665 -9.146 -26.796 1.00 0.00 C ATOM 264 CE1 PHE A 17 -11.331 -8.206 -29.017 1.00 0.00 C ATOM 265 CE2 PHE A 17 -12.469 -9.976 -27.882 1.00 0.00 C ATOM 266 CZ PHE A 17 -11.801 -9.505 -28.994 1.00 0.00 C ATOM 0 H PHE A 17 -13.187 -5.428 -23.815 1.00 0.00 H new ATOM 0 HA PHE A 17 -13.211 -5.216 -26.635 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -11.480 -6.428 -25.390 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -12.669 -7.549 -24.755 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -11.158 -6.367 -27.951 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -13.189 -9.518 -25.928 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -10.809 -7.836 -29.887 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -12.837 -10.991 -27.861 1.00 0.00 H new ATOM 0 HZ PHE A 17 -11.646 -10.151 -29.845 1.00 0.00 H new ATOM 276 N GLN A 18 -15.528 -7.131 -25.291 1.00 0.00 N ATOM 277 CA GLN A 18 -16.786 -7.797 -25.566 1.00 0.00 C ATOM 278 C GLN A 18 -17.808 -6.783 -26.067 1.00 0.00 C ATOM 279 O GLN A 18 -18.554 -7.046 -27.015 1.00 0.00 O ATOM 280 CB GLN A 18 -17.295 -8.499 -24.312 1.00 0.00 C ATOM 281 CG GLN A 18 -18.532 -9.339 -24.542 1.00 0.00 C ATOM 282 CD GLN A 18 -19.021 -9.997 -23.276 1.00 0.00 C ATOM 283 OE1 GLN A 18 -19.828 -9.430 -22.543 1.00 0.00 O ATOM 284 NE2 GLN A 18 -18.536 -11.193 -23.006 1.00 0.00 N ATOM 0 H GLN A 18 -15.253 -7.135 -24.309 1.00 0.00 H new ATOM 0 HA GLN A 18 -16.631 -8.549 -26.340 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -16.503 -9.135 -23.917 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -17.512 -7.750 -23.550 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -19.323 -8.711 -24.952 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -18.315 -10.105 -25.286 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -17.868 -11.628 -23.642 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -18.829 -11.683 -22.161 1.00 0.00 H new ATOM 293 N ARG A 19 -17.813 -5.615 -25.435 1.00 0.00 N ATOM 294 CA ARG A 19 -18.680 -4.514 -25.823 1.00 0.00 C ATOM 295 C ARG A 19 -18.329 -4.049 -27.236 1.00 0.00 C ATOM 296 O ARG A 19 -19.197 -3.678 -28.015 1.00 0.00 O ATOM 297 CB ARG A 19 -18.495 -3.359 -24.832 1.00 0.00 C ATOM 298 CG ARG A 19 -19.312 -2.118 -25.134 1.00 0.00 C ATOM 299 CD ARG A 19 -18.936 -0.988 -24.189 1.00 0.00 C ATOM 300 NE ARG A 19 -19.715 0.224 -24.434 1.00 0.00 N ATOM 301 CZ ARG A 19 -19.255 1.465 -24.253 1.00 0.00 C ATOM 302 NH1 ARG A 19 -18.010 1.667 -23.826 1.00 0.00 N1+ ATOM 303 NH2 ARG A 19 -20.042 2.501 -24.499 1.00 0.00 N ATOM 0 H ARG A 19 -17.213 -5.407 -24.637 1.00 0.00 H new ATOM 0 HA ARG A 19 -19.719 -4.844 -25.811 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -18.754 -3.712 -23.834 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -17.440 -3.085 -24.810 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -19.145 -1.808 -26.165 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -20.374 -2.343 -25.037 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -19.088 -1.313 -23.160 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -17.875 -0.763 -24.299 1.00 0.00 H new ATOM 0 HE ARG A 19 -20.674 0.115 -24.765 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -17.401 0.871 -23.635 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -17.665 2.617 -23.690 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -20.996 2.350 -24.826 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -19.694 3.450 -24.362 1.00 0.00 H new ATOM 317 N LEU A 20 -17.043 -4.106 -27.551 1.00 0.00 N ATOM 318 CA LEU A 20 -16.530 -3.678 -28.844 1.00 0.00 C ATOM 319 C LEU A 20 -17.156 -4.476 -29.979 1.00 0.00 C ATOM 320 O LEU A 20 -17.512 -3.917 -31.018 1.00 0.00 O ATOM 321 CB LEU A 20 -15.011 -3.837 -28.885 1.00 0.00 C ATOM 322 CG LEU A 20 -14.342 -3.517 -30.220 1.00 0.00 C ATOM 323 CD1 LEU A 20 -14.425 -2.029 -30.523 1.00 0.00 C ATOM 324 CD2 LEU A 20 -12.900 -3.996 -30.218 1.00 0.00 C ATOM 0 H LEU A 20 -16.324 -4.451 -26.915 1.00 0.00 H new ATOM 0 HA LEU A 20 -16.792 -2.628 -28.976 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -14.577 -3.193 -28.120 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -14.765 -4.864 -28.615 1.00 0.00 H new ATOM 0 HG LEU A 20 -14.875 -4.047 -31.010 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -13.942 -1.825 -31.479 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -15.471 -1.726 -30.573 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -13.922 -1.469 -29.735 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -12.437 -3.761 -31.176 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -12.352 -3.498 -29.418 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -12.875 -5.074 -30.058 1.00 0.00 H new ATOM 336 N ARG A 21 -17.310 -5.780 -29.778 1.00 0.00 N ATOM 337 CA ARG A 21 -17.887 -6.620 -30.809 1.00 0.00 C ATOM 338 C ARG A 21 -19.343 -6.259 -31.014 1.00 0.00 C ATOM 339 O ARG A 21 -19.829 -6.225 -32.143 1.00 0.00 O ATOM 340 CB ARG A 21 -17.769 -8.102 -30.465 1.00 0.00 C ATOM 341 CG ARG A 21 -17.936 -9.005 -31.681 1.00 0.00 C ATOM 342 CD ARG A 21 -18.861 -10.177 -31.404 1.00 0.00 C ATOM 343 NE ARG A 21 -20.262 -9.761 -31.243 1.00 0.00 N ATOM 344 CZ ARG A 21 -21.132 -10.350 -30.419 1.00 0.00 C ATOM 345 NH1 ARG A 21 -20.765 -11.403 -29.688 1.00 0.00 N1+ ATOM 346 NH2 ARG A 21 -22.363 -9.885 -30.333 1.00 0.00 N ATOM 0 H ARG A 21 -17.046 -6.268 -28.922 1.00 0.00 H new ATOM 0 HA ARG A 21 -17.329 -6.444 -31.729 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -16.796 -8.289 -30.010 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -18.523 -8.359 -29.721 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -18.331 -8.422 -32.513 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -16.960 -9.380 -31.990 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -18.790 -10.894 -32.222 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -18.531 -10.691 -30.501 1.00 0.00 H new ATOM 0 HE ARG A 21 -20.591 -8.970 -31.797 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -19.814 -11.764 -29.756 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -21.436 -11.847 -29.061 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -22.645 -9.081 -30.894 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -23.033 -10.330 -29.706 1.00 0.00 H new ATOM 360 N GLU A 22 -20.017 -5.926 -29.912 1.00 0.00 N ATOM 361 CA GLU A 22 -21.433 -5.591 -29.929 1.00 0.00 C ATOM 362 C GLU A 22 -21.663 -4.281 -30.646 1.00 0.00 C ATOM 363 O GLU A 22 -22.699 -4.072 -31.267 1.00 0.00 O ATOM 364 CB GLU A 22 -21.989 -5.523 -28.514 1.00 0.00 C ATOM 365 CG GLU A 22 -21.971 -6.852 -27.788 1.00 0.00 C ATOM 366 CD GLU A 22 -22.617 -6.772 -26.430 1.00 0.00 C ATOM 367 OE1 GLU A 22 -23.750 -6.258 -26.336 1.00 0.00 O ATOM 368 OE2 GLU A 22 -22.015 -7.247 -25.447 1.00 0.00 O1- ATOM 0 H GLU A 22 -19.593 -5.882 -28.985 1.00 0.00 H new ATOM 0 HA GLU A 22 -21.959 -6.378 -30.469 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -21.411 -4.798 -27.941 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -23.014 -5.154 -28.553 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -22.488 -7.599 -28.390 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -20.940 -7.189 -27.678 1.00 0.00 H new ATOM 375 N ILE A 23 -20.678 -3.407 -30.576 1.00 0.00 N ATOM 376 CA ILE A 23 -20.756 -2.109 -31.202 1.00 0.00 C ATOM 377 C ILE A 23 -20.602 -2.293 -32.700 1.00 0.00 C ATOM 378 O ILE A 23 -21.237 -1.611 -33.512 1.00 0.00 O ATOM 379 CB ILE A 23 -19.641 -1.181 -30.673 1.00 0.00 C ATOM 380 CG1 ILE A 23 -19.834 -0.902 -29.178 1.00 0.00 C ATOM 381 CG2 ILE A 23 -19.585 0.112 -31.461 1.00 0.00 C ATOM 382 CD1 ILE A 23 -21.133 -0.194 -28.838 1.00 0.00 C ATOM 0 H ILE A 23 -19.802 -3.580 -30.083 1.00 0.00 H new ATOM 0 HA ILE A 23 -21.717 -1.649 -30.971 1.00 0.00 H new ATOM 0 HB ILE A 23 -18.687 -1.692 -30.805 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -19.796 -1.847 -28.636 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -19.000 -0.297 -28.822 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -18.791 0.745 -31.066 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -19.385 -0.109 -32.509 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -20.539 0.632 -31.376 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -21.190 -0.035 -27.761 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -21.167 0.768 -29.349 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -21.976 -0.806 -29.159 1.00 0.00 H new ATOM 394 N PHE A 24 -19.773 -3.268 -33.045 1.00 0.00 N ATOM 395 CA PHE A 24 -19.473 -3.584 -34.420 1.00 0.00 C ATOM 396 C PHE A 24 -20.706 -4.201 -35.062 1.00 0.00 C ATOM 397 O PHE A 24 -21.017 -3.942 -36.226 1.00 0.00 O ATOM 398 CB PHE A 24 -18.281 -4.547 -34.494 1.00 0.00 C ATOM 399 CG PHE A 24 -17.867 -4.913 -35.892 1.00 0.00 C ATOM 400 CD1 PHE A 24 -17.136 -4.031 -36.666 1.00 0.00 C ATOM 401 CD2 PHE A 24 -18.203 -6.146 -36.427 1.00 0.00 C ATOM 402 CE1 PHE A 24 -16.747 -4.371 -37.945 1.00 0.00 C ATOM 403 CE2 PHE A 24 -17.818 -6.491 -37.706 1.00 0.00 C ATOM 404 CZ PHE A 24 -17.089 -5.601 -38.466 1.00 0.00 C ATOM 0 H PHE A 24 -19.291 -3.861 -32.369 1.00 0.00 H new ATOM 0 HA PHE A 24 -19.203 -2.676 -34.959 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -17.431 -4.095 -33.983 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -18.531 -5.459 -33.951 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -16.867 -3.065 -36.265 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -18.774 -6.846 -35.835 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -16.174 -3.674 -38.538 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -18.087 -7.455 -38.111 1.00 0.00 H new ATOM 0 HZ PHE A 24 -16.786 -5.867 -39.468 1.00 0.00 H new ATOM 414 N ASP A 25 -21.412 -5.014 -34.271 1.00 0.00 N ATOM 415 CA ASP A 25 -22.627 -5.692 -34.722 1.00 0.00 C ATOM 416 C ASP A 25 -23.687 -4.672 -35.112 1.00 0.00 C ATOM 417 O ASP A 25 -24.474 -4.898 -36.035 1.00 0.00 O ATOM 418 CB ASP A 25 -23.221 -6.572 -33.602 1.00 0.00 C ATOM 419 CG ASP A 25 -22.325 -7.705 -33.129 1.00 0.00 C ATOM 420 OD1 ASP A 25 -21.850 -8.504 -33.959 1.00 0.00 O ATOM 421 OD2 ASP A 25 -22.115 -7.816 -31.921 1.00 0.00 O1- ATOM 0 H ASP A 25 -21.158 -5.219 -33.305 1.00 0.00 H new ATOM 0 HA ASP A 25 -22.352 -6.311 -35.576 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -23.458 -5.936 -32.749 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -24.161 -6.996 -33.954 1.00 0.00 H new ATOM 426 N LYS A 26 -23.688 -3.534 -34.423 1.00 0.00 N ATOM 427 CA LYS A 26 -24.704 -2.510 -34.634 1.00 0.00 C ATOM 428 C LYS A 26 -24.289 -1.531 -35.725 1.00 0.00 C ATOM 429 O LYS A 26 -25.075 -0.668 -36.118 1.00 0.00 O ATOM 430 CB LYS A 26 -24.954 -1.730 -33.340 1.00 0.00 C ATOM 431 CG LYS A 26 -25.241 -2.596 -32.123 1.00 0.00 C ATOM 432 CD LYS A 26 -26.375 -3.572 -32.364 1.00 0.00 C ATOM 433 CE LYS A 26 -26.586 -4.460 -31.152 1.00 0.00 C ATOM 434 NZ LYS A 26 -27.600 -5.513 -31.398 1.00 0.00 N1+ ATOM 0 H LYS A 26 -22.995 -3.299 -33.713 1.00 0.00 H new ATOM 0 HA LYS A 26 -25.617 -3.019 -34.944 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -24.082 -1.110 -33.131 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -25.795 -1.055 -33.495 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -24.341 -3.148 -31.853 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -25.489 -1.957 -31.276 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -27.292 -3.025 -32.584 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -26.153 -4.186 -33.237 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -25.640 -4.926 -30.877 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -26.898 -3.848 -30.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -27.711 -6.095 -30.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -28.510 -5.070 -31.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -27.291 -6.114 -32.188 1.00 0.00 H new ATOM 448 N GLY A 27 -23.063 -1.680 -36.226 1.00 0.00 N ATOM 449 CA GLY A 27 -22.553 -0.758 -37.230 1.00 0.00 C ATOM 450 C GLY A 27 -22.515 0.683 -36.743 1.00 0.00 C ATOM 451 O GLY A 27 -22.647 1.613 -37.535 1.00 0.00 O ATOM 0 H GLY A 27 -22.416 -2.420 -35.956 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -21.548 -1.065 -37.521 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -23.176 -0.819 -38.122 1.00 0.00 H new ATOM 455 N ASP A 28 -22.351 0.867 -35.441 1.00 0.00 N ATOM 456 CA ASP A 28 -22.325 2.201 -34.855 1.00 0.00 C ATOM 457 C ASP A 28 -20.930 2.803 -35.009 1.00 0.00 C ATOM 458 O ASP A 28 -19.996 2.452 -34.289 1.00 0.00 O ATOM 459 CB ASP A 28 -22.781 2.178 -33.402 1.00 0.00 C ATOM 460 CG ASP A 28 -23.138 3.566 -32.902 1.00 0.00 C ATOM 461 OD1 ASP A 28 -22.254 4.446 -32.872 1.00 0.00 O ATOM 462 OD2 ASP A 28 -24.320 3.783 -32.547 1.00 0.00 O1- ATOM 0 H ASP A 28 -22.234 0.109 -34.769 1.00 0.00 H new ATOM 0 HA ASP A 28 -23.031 2.836 -35.389 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -23.646 1.522 -33.303 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -21.990 1.759 -32.779 1.00 0.00 H new ATOM 467 N ASP A 29 -20.816 3.703 -35.964 1.00 0.00 N ATOM 468 CA ASP A 29 -19.522 4.268 -36.367 1.00 0.00 C ATOM 469 C ASP A 29 -19.000 5.247 -35.336 1.00 0.00 C ATOM 470 O ASP A 29 -17.808 5.253 -35.002 1.00 0.00 O ATOM 471 CB ASP A 29 -19.628 4.976 -37.722 1.00 0.00 C ATOM 472 CG ASP A 29 -19.952 4.040 -38.862 1.00 0.00 C ATOM 473 OD1 ASP A 29 -19.025 3.389 -39.387 1.00 0.00 O ATOM 474 OD2 ASP A 29 -21.133 3.965 -39.262 1.00 0.00 O1- ATOM 0 H ASP A 29 -21.610 4.070 -36.489 1.00 0.00 H new ATOM 0 HA ASP A 29 -18.824 3.435 -36.449 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -20.398 5.745 -37.663 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -18.687 5.483 -37.934 1.00 0.00 H new ATOM 479 N ASP A 30 -19.893 6.071 -34.833 1.00 0.00 N ATOM 480 CA ASP A 30 -19.530 7.129 -33.895 1.00 0.00 C ATOM 481 C ASP A 30 -19.139 6.589 -32.530 1.00 0.00 C ATOM 482 O ASP A 30 -18.236 7.128 -31.879 1.00 0.00 O ATOM 483 CB ASP A 30 -20.664 8.147 -33.761 1.00 0.00 C ATOM 484 CG ASP A 30 -20.836 8.992 -35.007 1.00 0.00 C ATOM 485 OD1 ASP A 30 -20.240 10.087 -35.076 1.00 0.00 O ATOM 486 OD2 ASP A 30 -21.559 8.565 -35.929 1.00 0.00 O1- ATOM 0 H ASP A 30 -20.888 6.033 -35.056 1.00 0.00 H new ATOM 0 HA ASP A 30 -18.652 7.626 -34.307 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -21.596 7.622 -33.550 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -20.465 8.798 -32.909 1.00 0.00 H new ATOM 491 N SER A 31 -19.788 5.520 -32.109 1.00 0.00 N ATOM 492 CA SER A 31 -19.534 4.925 -30.805 1.00 0.00 C ATOM 493 C SER A 31 -18.164 4.255 -30.757 1.00 0.00 C ATOM 494 O SER A 31 -17.529 4.201 -29.703 1.00 0.00 O ATOM 495 CB SER A 31 -20.616 3.913 -30.476 1.00 0.00 C ATOM 496 OG SER A 31 -20.624 2.890 -31.424 1.00 0.00 O ATOM 0 H SER A 31 -20.503 5.040 -32.656 1.00 0.00 H new ATOM 0 HA SER A 31 -19.546 5.724 -30.063 1.00 0.00 H new ATOM 0 HB2 SER A 31 -20.445 3.497 -29.483 1.00 0.00 H new ATOM 0 HB3 SER A 31 -21.589 4.404 -30.453 1.00 0.00 H new ATOM 0 HG SER A 31 -20.171 3.195 -32.238 1.00 0.00 H new ATOM 502 N LEU A 32 -17.701 3.759 -31.910 1.00 0.00 N ATOM 503 CA LEU A 32 -16.433 3.039 -31.985 1.00 0.00 C ATOM 504 C LEU A 32 -15.281 3.889 -31.494 1.00 0.00 C ATOM 505 O LEU A 32 -14.438 3.408 -30.756 1.00 0.00 O ATOM 506 CB LEU A 32 -16.155 2.589 -33.427 1.00 0.00 C ATOM 507 CG LEU A 32 -16.931 1.367 -33.913 1.00 0.00 C ATOM 508 CD1 LEU A 32 -16.750 1.186 -35.412 1.00 0.00 C ATOM 509 CD2 LEU A 32 -16.475 0.116 -33.174 1.00 0.00 C ATOM 0 H LEU A 32 -18.188 3.845 -32.802 1.00 0.00 H new ATOM 0 HA LEU A 32 -16.518 2.165 -31.339 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -16.375 3.422 -34.094 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -15.090 2.378 -33.521 1.00 0.00 H new ATOM 0 HG LEU A 32 -17.989 1.527 -33.705 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -17.309 0.311 -35.743 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -17.118 2.070 -35.932 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -15.692 1.047 -35.637 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -17.039 -0.745 -33.533 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -15.412 -0.046 -33.354 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -16.647 0.242 -32.105 1.00 0.00 H new ATOM 521 N GLU A 33 -15.270 5.157 -31.859 1.00 0.00 N ATOM 522 CA GLU A 33 -14.193 6.046 -31.439 1.00 0.00 C ATOM 523 C GLU A 33 -14.174 6.163 -29.918 1.00 0.00 C ATOM 524 O GLU A 33 -13.116 6.170 -29.296 1.00 0.00 O ATOM 525 CB GLU A 33 -14.358 7.428 -32.071 1.00 0.00 C ATOM 526 CG GLU A 33 -13.207 8.385 -31.785 1.00 0.00 C ATOM 527 CD GLU A 33 -11.878 7.870 -32.289 1.00 0.00 C ATOM 528 OE1 GLU A 33 -11.590 8.024 -33.494 1.00 0.00 O ATOM 529 OE2 GLU A 33 -11.111 7.311 -31.487 1.00 0.00 O1- ATOM 0 H GLU A 33 -15.985 5.595 -32.440 1.00 0.00 H new ATOM 0 HA GLU A 33 -13.246 5.624 -31.775 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -14.460 7.312 -33.150 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -15.285 7.873 -31.709 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -13.418 9.348 -32.249 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -13.141 8.556 -30.711 1.00 0.00 H new ATOM 536 N GLN A 34 -15.357 6.214 -29.328 1.00 0.00 N ATOM 537 CA GLN A 34 -15.492 6.357 -27.893 1.00 0.00 C ATOM 538 C GLN A 34 -15.087 5.068 -27.174 1.00 0.00 C ATOM 539 O GLN A 34 -14.417 5.102 -26.137 1.00 0.00 O ATOM 540 CB GLN A 34 -16.928 6.734 -27.530 1.00 0.00 C ATOM 541 CG GLN A 34 -17.081 7.234 -26.109 1.00 0.00 C ATOM 542 CD GLN A 34 -16.293 8.503 -25.868 1.00 0.00 C ATOM 543 OE1 GLN A 34 -15.121 8.462 -25.488 1.00 0.00 O ATOM 544 NE2 GLN A 34 -16.922 9.636 -26.089 1.00 0.00 N ATOM 0 H GLN A 34 -16.244 6.158 -29.829 1.00 0.00 H new ATOM 0 HA GLN A 34 -14.824 7.154 -27.567 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -17.278 7.504 -28.217 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -17.570 5.865 -27.672 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -18.135 7.416 -25.900 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -16.747 6.462 -25.415 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -17.892 9.628 -26.403 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -16.440 10.523 -25.946 1.00 0.00 H new ATOM 553 N VAL A 35 -15.492 3.932 -27.733 1.00 0.00 N ATOM 554 CA VAL A 35 -15.205 2.636 -27.133 1.00 0.00 C ATOM 555 C VAL A 35 -13.732 2.281 -27.281 1.00 0.00 C ATOM 556 O VAL A 35 -13.087 1.863 -26.320 1.00 0.00 O ATOM 557 CB VAL A 35 -16.086 1.524 -27.755 1.00 0.00 C ATOM 558 CG1 VAL A 35 -15.675 0.145 -27.252 1.00 0.00 C ATOM 559 CG2 VAL A 35 -17.547 1.784 -27.436 1.00 0.00 C ATOM 0 H VAL A 35 -16.022 3.884 -28.603 1.00 0.00 H new ATOM 0 HA VAL A 35 -15.440 2.708 -26.071 1.00 0.00 H new ATOM 0 HB VAL A 35 -15.944 1.542 -28.835 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -16.312 -0.613 -27.707 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -14.636 -0.045 -27.521 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -15.782 0.106 -26.168 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -18.161 0.998 -27.876 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -17.688 1.792 -26.355 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -17.843 2.749 -27.847 1.00 0.00 H new ATOM 569 N LEU A 36 -13.203 2.487 -28.485 1.00 0.00 N ATOM 570 CA LEU A 36 -11.804 2.184 -28.782 1.00 0.00 C ATOM 571 C LEU A 36 -10.888 3.008 -27.906 1.00 0.00 C ATOM 572 O LEU A 36 -9.855 2.528 -27.457 1.00 0.00 O ATOM 573 CB LEU A 36 -11.496 2.464 -30.256 1.00 0.00 C ATOM 574 CG LEU A 36 -12.202 1.563 -31.268 1.00 0.00 C ATOM 575 CD1 LEU A 36 -12.138 2.174 -32.657 1.00 0.00 C ATOM 576 CD2 LEU A 36 -11.581 0.176 -31.269 1.00 0.00 C ATOM 0 H LEU A 36 -13.725 2.865 -29.275 1.00 0.00 H new ATOM 0 HA LEU A 36 -11.634 1.127 -28.579 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -11.762 3.499 -30.472 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -10.420 2.373 -30.406 1.00 0.00 H new ATOM 0 HG LEU A 36 -13.249 1.472 -30.978 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -12.645 1.520 -33.366 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -12.626 3.148 -32.649 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -11.096 2.293 -32.955 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -12.096 -0.453 -31.995 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -10.527 0.250 -31.536 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -11.674 -0.265 -30.277 1.00 0.00 H new ATOM 588 N GLU A 37 -11.297 4.238 -27.636 1.00 0.00 N ATOM 589 CA GLU A 37 -10.538 5.136 -26.825 1.00 0.00 C ATOM 590 C GLU A 37 -10.436 4.596 -25.403 1.00 0.00 C ATOM 591 O GLU A 37 -9.360 4.587 -24.807 1.00 0.00 O ATOM 592 CB GLU A 37 -11.213 6.490 -26.828 1.00 0.00 C ATOM 593 CG GLU A 37 -10.428 7.558 -26.144 1.00 0.00 C ATOM 594 CD GLU A 37 -11.123 8.890 -26.191 1.00 0.00 C ATOM 595 OE1 GLU A 37 -11.519 9.394 -25.124 1.00 0.00 O ATOM 596 OE2 GLU A 37 -11.292 9.433 -27.300 1.00 0.00 O1- ATOM 0 H GLU A 37 -12.173 4.630 -27.983 1.00 0.00 H new ATOM 0 HA GLU A 37 -9.530 5.233 -27.227 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -11.396 6.791 -27.859 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -12.186 6.401 -26.344 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -10.259 7.274 -25.105 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.448 7.644 -26.614 1.00 0.00 H new ATOM 603 N GLU A 38 -11.571 4.131 -24.876 1.00 0.00 N ATOM 604 CA GLU A 38 -11.618 3.559 -23.537 1.00 0.00 C ATOM 605 C GLU A 38 -10.769 2.297 -23.481 1.00 0.00 C ATOM 606 O GLU A 38 -10.094 2.029 -22.489 1.00 0.00 O ATOM 607 CB GLU A 38 -13.061 3.248 -23.139 1.00 0.00 C ATOM 608 CG GLU A 38 -13.214 2.754 -21.710 1.00 0.00 C ATOM 609 CD GLU A 38 -14.654 2.505 -21.335 1.00 0.00 C ATOM 610 OE1 GLU A 38 -15.076 1.330 -21.315 1.00 0.00 O ATOM 611 OE2 GLU A 38 -15.375 3.483 -21.062 1.00 0.00 O1- ATOM 0 H GLU A 38 -12.469 4.141 -25.360 1.00 0.00 H new ATOM 0 HA GLU A 38 -11.216 4.286 -22.831 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -13.665 4.146 -23.269 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -13.460 2.495 -23.818 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -12.645 1.833 -21.585 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -12.786 3.488 -21.028 1.00 0.00 H new ATOM 618 N ILE A 39 -10.800 1.533 -24.565 1.00 0.00 N ATOM 619 CA ILE A 39 -10.002 0.326 -24.658 1.00 0.00 C ATOM 620 C ILE A 39 -8.523 0.688 -24.610 1.00 0.00 C ATOM 621 O ILE A 39 -7.753 0.084 -23.863 1.00 0.00 O ATOM 622 CB ILE A 39 -10.300 -0.486 -25.939 1.00 0.00 C ATOM 623 CG1 ILE A 39 -11.766 -0.922 -25.961 1.00 0.00 C ATOM 624 CG2 ILE A 39 -9.393 -1.710 -26.002 1.00 0.00 C ATOM 625 CD1 ILE A 39 -12.172 -1.650 -27.223 1.00 0.00 C ATOM 0 H ILE A 39 -11.369 1.730 -25.388 1.00 0.00 H new ATOM 0 HA ILE A 39 -10.266 -0.305 -23.809 1.00 0.00 H new ATOM 0 HB ILE A 39 -10.108 0.145 -26.807 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -11.955 -1.568 -25.104 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -12.398 -0.042 -25.842 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -9.609 -2.277 -26.908 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -8.351 -1.390 -26.014 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -9.570 -2.339 -25.129 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -13.225 -1.926 -27.161 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -12.017 -1.000 -28.084 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -11.567 -2.550 -27.334 1.00 0.00 H new ATOM 637 N GLU A 40 -8.134 1.699 -25.399 1.00 0.00 N ATOM 638 CA GLU A 40 -6.760 2.194 -25.394 1.00 0.00 C ATOM 639 C GLU A 40 -6.360 2.634 -23.989 1.00 0.00 C ATOM 640 O GLU A 40 -5.229 2.401 -23.556 1.00 0.00 O ATOM 641 CB GLU A 40 -6.605 3.377 -26.364 1.00 0.00 C ATOM 642 CG GLU A 40 -6.857 3.036 -27.827 1.00 0.00 C ATOM 643 CD GLU A 40 -6.787 4.259 -28.725 1.00 0.00 C ATOM 644 OE1 GLU A 40 -5.710 4.523 -29.296 1.00 0.00 O ATOM 645 OE2 GLU A 40 -7.804 4.975 -28.847 1.00 0.00 O1- ATOM 0 H GLU A 40 -8.754 2.186 -26.046 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.108 1.383 -25.718 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -7.294 4.167 -26.065 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.597 3.779 -26.267 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.122 2.302 -28.158 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.838 2.571 -27.926 1.00 0.00 H new ATOM 652 N GLU A 41 -7.305 3.244 -23.267 1.00 0.00 N ATOM 653 CA GLU A 41 -7.052 3.689 -21.905 1.00 0.00 C ATOM 654 C GLU A 41 -6.750 2.494 -21.013 1.00 0.00 C ATOM 655 O GLU A 41 -5.784 2.503 -20.256 1.00 0.00 O ATOM 656 CB GLU A 41 -8.271 4.434 -21.333 1.00 0.00 C ATOM 657 CG GLU A 41 -8.638 5.720 -22.053 1.00 0.00 C ATOM 658 CD GLU A 41 -9.855 6.394 -21.447 1.00 0.00 C ATOM 659 OE1 GLU A 41 -9.731 6.975 -20.352 1.00 0.00 O ATOM 660 OE2 GLU A 41 -10.945 6.357 -22.067 1.00 0.00 O1- ATOM 0 H GLU A 41 -8.247 3.438 -23.607 1.00 0.00 H new ATOM 0 HA GLU A 41 -6.197 4.365 -21.929 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -9.131 3.764 -21.358 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -8.077 4.665 -20.286 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -7.792 6.406 -22.020 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -8.831 5.503 -23.103 1.00 0.00 H new ATOM 667 N LEU A 42 -7.559 1.450 -21.147 1.00 0.00 N ATOM 668 CA LEU A 42 -7.437 0.258 -20.317 1.00 0.00 C ATOM 669 C LEU A 42 -6.172 -0.528 -20.631 1.00 0.00 C ATOM 670 O LEU A 42 -5.526 -1.048 -19.727 1.00 0.00 O ATOM 671 CB LEU A 42 -8.671 -0.632 -20.483 1.00 0.00 C ATOM 672 CG LEU A 42 -10.000 -0.005 -20.045 1.00 0.00 C ATOM 673 CD1 LEU A 42 -11.160 -0.914 -20.403 1.00 0.00 C ATOM 674 CD2 LEU A 42 -9.991 0.282 -18.549 1.00 0.00 C ATOM 0 H LEU A 42 -8.315 1.406 -21.831 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.368 0.587 -19.280 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.752 -0.919 -21.531 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -8.516 -1.548 -19.913 1.00 0.00 H new ATOM 0 HG LEU A 42 -10.124 0.939 -20.575 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -12.095 -0.453 -20.085 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -11.181 -1.070 -21.482 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -11.039 -1.874 -19.900 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -10.943 0.727 -18.258 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -9.843 -0.648 -18.001 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -9.181 0.973 -18.316 1.00 0.00 H new ATOM 686 N ILE A 43 -5.814 -0.606 -21.908 1.00 0.00 N ATOM 687 CA ILE A 43 -4.615 -1.335 -22.311 1.00 0.00 C ATOM 688 C ILE A 43 -3.379 -0.679 -21.714 1.00 0.00 C ATOM 689 O ILE A 43 -2.522 -1.348 -21.136 1.00 0.00 O ATOM 690 CB ILE A 43 -4.462 -1.393 -23.854 1.00 0.00 C ATOM 691 CG1 ILE A 43 -5.641 -2.138 -24.481 1.00 0.00 C ATOM 692 CG2 ILE A 43 -3.143 -2.062 -24.241 1.00 0.00 C ATOM 693 CD1 ILE A 43 -5.594 -2.192 -25.993 1.00 0.00 C ATOM 0 H ILE A 43 -6.331 -0.178 -22.676 1.00 0.00 H new ATOM 0 HA ILE A 43 -4.717 -2.354 -21.939 1.00 0.00 H new ATOM 0 HB ILE A 43 -4.454 -0.372 -24.235 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.665 -3.155 -24.091 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -6.569 -1.656 -24.172 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -3.055 -2.093 -25.327 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.311 -1.493 -23.826 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -3.121 -3.078 -23.847 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -6.462 -2.736 -26.365 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -5.602 -1.178 -26.394 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -4.684 -2.701 -26.311 1.00 0.00 H new ATOM 705 N GLN A 44 -3.311 0.637 -21.838 1.00 0.00 N ATOM 706 CA GLN A 44 -2.192 1.402 -21.315 1.00 0.00 C ATOM 707 C GLN A 44 -2.142 1.330 -19.793 1.00 0.00 C ATOM 708 O GLN A 44 -1.087 1.126 -19.220 1.00 0.00 O ATOM 709 CB GLN A 44 -2.275 2.846 -21.800 1.00 0.00 C ATOM 710 CG GLN A 44 -2.176 2.966 -23.316 1.00 0.00 C ATOM 711 CD GLN A 44 -2.445 4.366 -23.834 1.00 0.00 C ATOM 712 OE1 GLN A 44 -3.290 5.107 -23.142 1.00 0.00 O flip ATOM 713 NE2 GLN A 44 -1.898 4.771 -24.861 1.00 0.00 N flip ATOM 0 H GLN A 44 -4.024 1.201 -22.300 1.00 0.00 H new ATOM 0 HA GLN A 44 -1.266 0.966 -21.690 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -3.216 3.283 -21.466 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -1.474 3.425 -21.341 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -1.180 2.656 -23.632 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -2.885 2.276 -23.774 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -1.251 4.166 -25.367 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -2.092 5.711 -25.206 1.00 0.00 H new ATOM 722 N LYS A 45 -3.296 1.477 -19.153 1.00 0.00 N ATOM 723 CA LYS A 45 -3.385 1.381 -17.689 1.00 0.00 C ATOM 724 C LYS A 45 -2.947 0.003 -17.201 1.00 0.00 C ATOM 725 O LYS A 45 -2.339 -0.127 -16.142 1.00 0.00 O ATOM 726 CB LYS A 45 -4.803 1.680 -17.202 1.00 0.00 C ATOM 727 CG LYS A 45 -5.219 3.126 -17.379 1.00 0.00 C ATOM 728 CD LYS A 45 -6.666 3.340 -16.972 1.00 0.00 C ATOM 729 CE LYS A 45 -7.094 4.772 -17.221 1.00 0.00 C ATOM 730 NZ LYS A 45 -8.508 5.004 -16.844 1.00 0.00 N1+ ATOM 0 H LYS A 45 -4.185 1.663 -19.618 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.710 2.129 -17.273 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.504 1.042 -17.740 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.878 1.417 -16.147 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.572 3.768 -16.781 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.085 3.420 -18.420 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.309 2.662 -17.533 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.790 3.098 -15.917 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.452 5.446 -16.653 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.956 5.013 -18.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.759 5.996 -17.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -9.123 4.380 -17.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.636 4.799 -15.832 1.00 0.00 H new ATOM 744 N HIS A 46 -3.244 -1.017 -17.987 1.00 0.00 N ATOM 745 CA HIS A 46 -2.891 -2.383 -17.643 1.00 0.00 C ATOM 746 C HIS A 46 -1.397 -2.616 -17.901 1.00 0.00 C ATOM 747 O HIS A 46 -0.715 -3.262 -17.111 1.00 0.00 O ATOM 748 CB HIS A 46 -3.768 -3.349 -18.463 1.00 0.00 C ATOM 749 CG HIS A 46 -3.528 -4.823 -18.250 1.00 0.00 C ATOM 750 ND1 HIS A 46 -3.947 -5.523 -17.128 1.00 0.00 N ATOM 751 CD2 HIS A 46 -2.979 -5.737 -19.071 1.00 0.00 C ATOM 752 CE1 HIS A 46 -3.662 -6.804 -17.285 1.00 0.00 C ATOM 753 NE2 HIS A 46 -3.074 -6.962 -18.461 1.00 0.00 N ATOM 0 H HIS A 46 -3.734 -0.923 -18.877 1.00 0.00 H new ATOM 0 HA HIS A 46 -3.074 -2.566 -16.584 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -4.813 -3.137 -18.236 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -3.621 -3.129 -19.520 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -4.402 -5.114 -16.312 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -2.541 -5.541 -20.039 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -3.873 -7.589 -16.574 1.00 0.00 H new ATOM 761 N ARG A 47 -0.898 -2.082 -19.021 1.00 0.00 N ATOM 762 CA ARG A 47 0.519 -2.209 -19.377 1.00 0.00 C ATOM 763 C ARG A 47 1.406 -1.387 -18.439 1.00 0.00 C ATOM 764 O ARG A 47 2.499 -1.810 -18.095 1.00 0.00 O ATOM 765 CB ARG A 47 0.764 -1.758 -20.818 1.00 0.00 C ATOM 766 CG ARG A 47 2.101 -2.226 -21.387 1.00 0.00 C ATOM 767 CD ARG A 47 2.633 -1.266 -22.432 1.00 0.00 C ATOM 768 NE ARG A 47 3.168 -0.053 -21.817 1.00 0.00 N ATOM 769 CZ ARG A 47 3.310 1.116 -22.431 1.00 0.00 C ATOM 770 NH1 ARG A 47 2.950 1.261 -23.704 1.00 0.00 N1+ ATOM 771 NH2 ARG A 47 3.828 2.139 -21.767 1.00 0.00 N ATOM 0 H ARG A 47 -1.454 -1.558 -19.696 1.00 0.00 H new ATOM 0 HA ARG A 47 0.779 -3.263 -19.278 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.041 -2.134 -21.449 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.721 -0.670 -20.861 1.00 0.00 H new ATOM 0 HG2 ARG A 47 2.826 -2.323 -20.579 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.982 -3.215 -21.829 1.00 0.00 H new ATOM 0 HD2 ARG A 47 3.414 -1.755 -23.014 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.835 -1.003 -23.126 1.00 0.00 H new ATOM 0 HE ARG A 47 3.455 -0.109 -20.840 1.00 0.00 H new ATOM 0 HH11 ARG A 47 2.561 0.470 -24.217 1.00 0.00 H new ATOM 0 HH12 ARG A 47 3.063 2.163 -24.166 1.00 0.00 H new ATOM 0 HH21 ARG A 47 4.113 2.024 -20.794 1.00 0.00 H new ATOM 0 HH22 ARG A 47 3.942 3.041 -22.228 1.00 0.00 H new ATOM 785 N GLN A 48 0.918 -0.215 -18.025 1.00 0.00 N ATOM 786 CA GLN A 48 1.675 0.674 -17.128 1.00 0.00 C ATOM 787 C GLN A 48 2.020 -0.019 -15.831 1.00 0.00 C ATOM 788 O GLN A 48 3.041 0.267 -15.219 1.00 0.00 O ATOM 789 CB GLN A 48 0.900 1.961 -16.845 1.00 0.00 C ATOM 790 CG GLN A 48 1.054 3.014 -17.926 1.00 0.00 C ATOM 791 CD GLN A 48 2.475 3.536 -18.024 1.00 0.00 C ATOM 792 OE1 GLN A 48 3.207 3.579 -17.031 1.00 0.00 O ATOM 793 NE2 GLN A 48 2.873 3.942 -19.211 1.00 0.00 N ATOM 0 H GLN A 48 0.002 0.144 -18.294 1.00 0.00 H new ATOM 0 HA GLN A 48 2.604 0.933 -17.637 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -0.157 1.721 -16.732 1.00 0.00 H new ATOM 0 HB3 GLN A 48 1.236 2.376 -15.895 1.00 0.00 H new ATOM 0 HG2 GLN A 48 0.758 2.592 -18.886 1.00 0.00 H new ATOM 0 HG3 GLN A 48 0.378 3.844 -17.720 1.00 0.00 H new ATOM 0 HE21 GLN A 48 2.238 3.890 -20.007 1.00 0.00 H new ATOM 0 HE22 GLN A 48 3.817 4.308 -19.335 1.00 0.00 H new ATOM 802 N LEU A 49 1.170 -0.928 -15.424 1.00 0.00 N ATOM 803 CA LEU A 49 1.397 -1.706 -14.225 1.00 0.00 C ATOM 804 C LEU A 49 2.654 -2.562 -14.402 1.00 0.00 C ATOM 805 O LEU A 49 3.403 -2.801 -13.451 1.00 0.00 O ATOM 806 CB LEU A 49 0.181 -2.583 -13.964 1.00 0.00 C ATOM 807 CG LEU A 49 -1.119 -1.821 -13.704 1.00 0.00 C ATOM 808 CD1 LEU A 49 -2.314 -2.750 -13.793 1.00 0.00 C ATOM 809 CD2 LEU A 49 -1.072 -1.134 -12.348 1.00 0.00 C ATOM 0 H LEU A 49 0.302 -1.152 -15.911 1.00 0.00 H new ATOM 0 HA LEU A 49 1.546 -1.045 -13.371 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.035 -3.240 -14.821 1.00 0.00 H new ATOM 0 HB3 LEU A 49 0.389 -3.221 -13.105 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.227 -1.056 -14.473 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.228 -2.186 -13.605 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.359 -3.191 -14.789 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.216 -3.541 -13.050 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.005 -0.597 -12.180 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.938 -1.881 -11.566 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.239 -0.431 -12.325 1.00 0.00 H new ATOM 821 N PHE A 50 2.880 -2.995 -15.638 1.00 0.00 N ATOM 822 CA PHE A 50 4.054 -3.774 -15.988 1.00 0.00 C ATOM 823 C PHE A 50 5.259 -2.842 -16.162 1.00 0.00 C ATOM 824 O PHE A 50 6.401 -3.227 -15.909 1.00 0.00 O ATOM 825 CB PHE A 50 3.800 -4.584 -17.268 1.00 0.00 C ATOM 826 CG PHE A 50 4.882 -5.580 -17.587 1.00 0.00 C ATOM 827 CD1 PHE A 50 4.948 -6.788 -16.908 1.00 0.00 C ATOM 828 CD2 PHE A 50 5.827 -5.313 -18.565 1.00 0.00 C ATOM 829 CE1 PHE A 50 5.936 -7.709 -17.198 1.00 0.00 C ATOM 830 CE2 PHE A 50 6.818 -6.230 -18.859 1.00 0.00 C ATOM 831 CZ PHE A 50 6.872 -7.429 -18.174 1.00 0.00 C ATOM 0 H PHE A 50 2.253 -2.814 -16.422 1.00 0.00 H new ATOM 0 HA PHE A 50 4.268 -4.477 -15.183 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.852 -5.112 -17.169 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.695 -3.896 -18.107 1.00 0.00 H new ATOM 0 HD1 PHE A 50 4.218 -7.011 -16.144 1.00 0.00 H new ATOM 0 HD2 PHE A 50 5.788 -4.378 -19.103 1.00 0.00 H new ATOM 0 HE1 PHE A 50 5.976 -8.646 -16.663 1.00 0.00 H new ATOM 0 HE2 PHE A 50 7.549 -6.010 -19.623 1.00 0.00 H new ATOM 0 HZ PHE A 50 7.646 -8.147 -18.402 1.00 0.00 H new ATOM 841 N ASP A 51 4.986 -1.604 -16.601 1.00 0.00 N ATOM 842 CA ASP A 51 6.037 -0.590 -16.769 1.00 0.00 C ATOM 843 C ASP A 51 6.582 -0.187 -15.414 1.00 0.00 C ATOM 844 O ASP A 51 7.785 0.029 -15.250 1.00 0.00 O ATOM 845 CB ASP A 51 5.498 0.669 -17.477 1.00 0.00 C ATOM 846 CG ASP A 51 5.287 0.505 -18.970 1.00 0.00 C ATOM 847 OD1 ASP A 51 6.261 0.677 -19.732 1.00 0.00 O ATOM 848 OD2 ASP A 51 4.147 0.247 -19.391 1.00 0.00 O1- ATOM 0 H ASP A 51 4.049 -1.282 -16.845 1.00 0.00 H new ATOM 0 HA ASP A 51 6.824 -1.029 -17.382 1.00 0.00 H new ATOM 0 HB2 ASP A 51 4.551 0.952 -17.017 1.00 0.00 H new ATOM 0 HB3 ASP A 51 6.193 1.492 -17.309 1.00 0.00 H new ATOM 969 N GLU A 60 5.546 -15.445 -20.414 1.00 0.00 N ATOM 970 CA GLU A 60 4.645 -16.004 -21.413 1.00 0.00 C ATOM 971 C GLU A 60 3.379 -15.165 -21.504 1.00 0.00 C ATOM 972 O GLU A 60 2.936 -14.812 -22.593 1.00 0.00 O ATOM 973 CB GLU A 60 4.313 -17.459 -21.068 1.00 0.00 C ATOM 974 CG GLU A 60 3.314 -18.123 -22.004 1.00 0.00 C ATOM 975 CD GLU A 60 3.108 -19.582 -21.670 1.00 0.00 C ATOM 976 OE1 GLU A 60 2.589 -19.883 -20.577 1.00 0.00 O ATOM 977 OE2 GLU A 60 3.478 -20.441 -22.490 1.00 0.00 O1- ATOM 0 HA GLU A 60 5.137 -15.987 -22.386 1.00 0.00 H new ATOM 0 HB2 GLU A 60 5.236 -18.039 -21.073 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.919 -17.496 -20.052 1.00 0.00 H new ATOM 0 HG2 GLU A 60 2.360 -17.600 -21.946 1.00 0.00 H new ATOM 0 HG3 GLU A 60 3.665 -18.033 -23.032 1.00 0.00 H new ATOM 984 N ALA A 61 2.829 -14.817 -20.350 1.00 0.00 N ATOM 985 CA ALA A 61 1.630 -13.993 -20.286 1.00 0.00 C ATOM 986 C ALA A 61 1.888 -12.627 -20.920 1.00 0.00 C ATOM 987 O ALA A 61 1.028 -12.073 -21.611 1.00 0.00 O ATOM 988 CB ALA A 61 1.171 -13.833 -18.843 1.00 0.00 C ATOM 0 H ALA A 61 3.196 -15.094 -19.440 1.00 0.00 H new ATOM 0 HA ALA A 61 0.838 -14.490 -20.846 1.00 0.00 H new ATOM 0 HB1 ALA A 61 0.274 -13.215 -18.813 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.950 -14.813 -18.421 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.960 -13.356 -18.261 1.00 0.00 H new ATOM 994 N ALA A 62 3.092 -12.109 -20.707 1.00 0.00 N ATOM 995 CA ALA A 62 3.477 -10.816 -21.248 1.00 0.00 C ATOM 996 C ALA A 62 3.706 -10.907 -22.754 1.00 0.00 C ATOM 997 O ALA A 62 3.372 -9.988 -23.498 1.00 0.00 O ATOM 998 CB ALA A 62 4.730 -10.302 -20.551 1.00 0.00 C ATOM 0 H ALA A 62 3.820 -12.569 -20.160 1.00 0.00 H new ATOM 0 HA ALA A 62 2.664 -10.113 -21.068 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.006 -9.333 -20.967 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.535 -10.197 -19.484 1.00 0.00 H new ATOM 0 HB3 ALA A 62 5.546 -11.008 -20.703 1.00 0.00 H new ATOM 1004 N LYS A 63 4.255 -12.033 -23.196 1.00 0.00 N ATOM 1005 CA LYS A 63 4.540 -12.248 -24.607 1.00 0.00 C ATOM 1006 C LYS A 63 3.244 -12.366 -25.393 1.00 0.00 C ATOM 1007 O LYS A 63 3.108 -11.800 -26.482 1.00 0.00 O ATOM 1008 CB LYS A 63 5.392 -13.512 -24.797 1.00 0.00 C ATOM 1009 CG LYS A 63 5.773 -13.793 -26.247 1.00 0.00 C ATOM 1010 CD LYS A 63 6.582 -15.081 -26.381 1.00 0.00 C ATOM 1011 CE LYS A 63 7.913 -14.989 -25.651 1.00 0.00 C ATOM 1012 NZ LYS A 63 8.733 -16.214 -25.836 1.00 0.00 N1+ ATOM 0 H LYS A 63 4.512 -12.814 -22.592 1.00 0.00 H new ATOM 0 HA LYS A 63 5.101 -11.392 -24.981 1.00 0.00 H new ATOM 0 HB2 LYS A 63 6.302 -13.416 -24.205 1.00 0.00 H new ATOM 0 HB3 LYS A 63 4.845 -14.369 -24.404 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.870 -13.866 -26.853 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.353 -12.957 -26.639 1.00 0.00 H new ATOM 0 HD2 LYS A 63 6.005 -15.916 -25.982 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.759 -15.291 -27.436 1.00 0.00 H new ATOM 0 HE2 LYS A 63 8.467 -14.123 -26.014 1.00 0.00 H new ATOM 0 HE3 LYS A 63 7.734 -14.830 -24.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 9.632 -16.111 -25.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 8.216 -17.037 -25.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 8.926 -16.353 -26.848 1.00 0.00 H new ATOM 1026 N GLN A 64 2.292 -13.096 -24.831 1.00 0.00 N ATOM 1027 CA GLN A 64 0.994 -13.273 -25.460 1.00 0.00 C ATOM 1028 C GLN A 64 0.257 -11.939 -25.516 1.00 0.00 C ATOM 1029 O GLN A 64 -0.348 -11.594 -26.535 1.00 0.00 O ATOM 1030 CB GLN A 64 0.157 -14.301 -24.695 1.00 0.00 C ATOM 1031 CG GLN A 64 0.828 -15.657 -24.533 1.00 0.00 C ATOM 1032 CD GLN A 64 1.104 -16.345 -25.853 1.00 0.00 C ATOM 1033 OE1 GLN A 64 2.159 -16.159 -26.457 1.00 0.00 O ATOM 1034 NE2 GLN A 64 0.162 -17.146 -26.302 1.00 0.00 N ATOM 0 H GLN A 64 2.396 -13.576 -23.937 1.00 0.00 H new ATOM 0 HA GLN A 64 1.149 -13.641 -26.474 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -0.074 -13.902 -23.707 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -0.792 -14.438 -25.213 1.00 0.00 H new ATOM 0 HG2 GLN A 64 1.767 -15.529 -23.994 1.00 0.00 H new ATOM 0 HG3 GLN A 64 0.194 -16.299 -23.921 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -0.698 -17.271 -25.768 1.00 0.00 H new ATOM 0 HE22 GLN A 64 0.292 -17.642 -27.184 1.00 0.00 H new ATOM 1043 N GLY A 65 0.323 -11.185 -24.416 1.00 0.00 N ATOM 1044 CA GLY A 65 -0.324 -9.887 -24.361 1.00 0.00 C ATOM 1045 C GLY A 65 0.241 -8.911 -25.369 1.00 0.00 C ATOM 1046 O GLY A 65 -0.498 -8.106 -25.935 1.00 0.00 O ATOM 0 H GLY A 65 0.814 -11.454 -23.563 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -1.392 -10.010 -24.540 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -0.214 -9.473 -23.359 1.00 0.00 H new ATOM 1050 N ASP A 66 1.547 -8.989 -25.612 1.00 0.00 N ATOM 1051 CA ASP A 66 2.191 -8.120 -26.596 1.00 0.00 C ATOM 1052 C ASP A 66 1.599 -8.342 -27.973 1.00 0.00 C ATOM 1053 O ASP A 66 1.325 -7.390 -28.707 1.00 0.00 O ATOM 1054 CB ASP A 66 3.704 -8.352 -26.644 1.00 0.00 C ATOM 1055 CG ASP A 66 4.463 -7.542 -25.618 1.00 0.00 C ATOM 1056 OD1 ASP A 66 4.137 -6.344 -25.442 1.00 0.00 O ATOM 1057 OD2 ASP A 66 5.410 -8.080 -25.006 1.00 0.00 O1- ATOM 0 H ASP A 66 2.178 -9.640 -25.145 1.00 0.00 H new ATOM 0 HA ASP A 66 2.010 -7.090 -26.288 1.00 0.00 H new ATOM 0 HB2 ASP A 66 3.908 -9.411 -26.485 1.00 0.00 H new ATOM 0 HB3 ASP A 66 4.072 -8.102 -27.639 1.00 0.00 H new ATOM 1062 N GLN A 67 1.383 -9.606 -28.310 1.00 0.00 N ATOM 1063 CA GLN A 67 0.806 -9.970 -29.595 1.00 0.00 C ATOM 1064 C GLN A 67 -0.597 -9.398 -29.718 1.00 0.00 C ATOM 1065 O GLN A 67 -0.961 -8.835 -30.746 1.00 0.00 O ATOM 1066 CB GLN A 67 0.747 -11.490 -29.732 1.00 0.00 C ATOM 1067 CG GLN A 67 2.084 -12.183 -29.547 1.00 0.00 C ATOM 1068 CD GLN A 67 1.949 -13.690 -29.489 1.00 0.00 C ATOM 1069 OE1 GLN A 67 1.060 -14.272 -30.110 1.00 0.00 O ATOM 1070 NE2 GLN A 67 2.816 -14.328 -28.731 1.00 0.00 N ATOM 0 H GLN A 67 1.600 -10.400 -27.707 1.00 0.00 H new ATOM 0 HA GLN A 67 1.434 -9.560 -30.387 1.00 0.00 H new ATOM 0 HB2 GLN A 67 0.042 -11.883 -28.999 1.00 0.00 H new ATOM 0 HB3 GLN A 67 0.354 -11.740 -30.718 1.00 0.00 H new ATOM 0 HG2 GLN A 67 2.748 -11.912 -30.368 1.00 0.00 H new ATOM 0 HG3 GLN A 67 2.551 -11.827 -28.629 1.00 0.00 H new ATOM 0 HE21 GLN A 67 3.538 -13.807 -28.233 1.00 0.00 H new ATOM 0 HE22 GLN A 67 2.766 -15.343 -28.642 1.00 0.00 H new ATOM 1079 N TRP A 68 -1.361 -9.510 -28.640 1.00 0.00 N ATOM 1080 CA TRP A 68 -2.736 -9.039 -28.618 1.00 0.00 C ATOM 1081 C TRP A 68 -2.793 -7.531 -28.869 1.00 0.00 C ATOM 1082 O TRP A 68 -3.679 -7.042 -29.569 1.00 0.00 O ATOM 1083 CB TRP A 68 -3.415 -9.391 -27.288 1.00 0.00 C ATOM 1084 CG TRP A 68 -4.897 -9.158 -27.303 1.00 0.00 C ATOM 1085 CD1 TRP A 68 -5.847 -10.032 -27.738 1.00 0.00 C ATOM 1086 CD2 TRP A 68 -5.600 -7.985 -26.872 1.00 0.00 C ATOM 1087 NE1 TRP A 68 -7.094 -9.481 -27.615 1.00 0.00 N ATOM 1088 CE2 TRP A 68 -6.973 -8.223 -27.083 1.00 0.00 C ATOM 1089 CE3 TRP A 68 -5.206 -6.758 -26.332 1.00 0.00 C ATOM 1090 CZ2 TRP A 68 -7.950 -7.282 -26.774 1.00 0.00 C ATOM 1091 CZ3 TRP A 68 -6.176 -5.826 -26.025 1.00 0.00 C ATOM 1092 CH2 TRP A 68 -7.534 -6.092 -26.246 1.00 0.00 C ATOM 0 H TRP A 68 -1.047 -9.927 -27.764 1.00 0.00 H new ATOM 0 HA TRP A 68 -3.278 -9.542 -29.418 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -3.220 -10.438 -27.054 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -2.968 -8.797 -26.491 1.00 0.00 H new ATOM 0 HD1 TRP A 68 -5.645 -11.020 -28.125 1.00 0.00 H new ATOM 0 HE1 TRP A 68 -7.970 -9.933 -27.876 1.00 0.00 H new ATOM 0 HE3 TRP A 68 -4.162 -6.543 -26.158 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -8.997 -7.484 -26.945 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 -5.883 -4.874 -25.607 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -8.268 -5.341 -25.994 1.00 0.00 H new ATOM 1103 N VAL A 69 -1.825 -6.803 -28.315 1.00 0.00 N ATOM 1104 CA VAL A 69 -1.779 -5.352 -28.466 1.00 0.00 C ATOM 1105 C VAL A 69 -1.540 -4.974 -29.923 1.00 0.00 C ATOM 1106 O VAL A 69 -2.161 -4.047 -30.443 1.00 0.00 O ATOM 1107 CB VAL A 69 -0.675 -4.709 -27.589 1.00 0.00 C ATOM 1108 CG1 VAL A 69 -0.588 -3.205 -27.840 1.00 0.00 C ATOM 1109 CG2 VAL A 69 -0.937 -4.984 -26.118 1.00 0.00 C ATOM 0 H VAL A 69 -1.064 -7.194 -27.759 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.745 -4.970 -28.136 1.00 0.00 H new ATOM 0 HB VAL A 69 0.280 -5.157 -27.863 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.194 -2.776 -27.213 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.352 -3.024 -28.889 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.543 -2.740 -27.598 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.152 -4.525 -25.517 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.903 -4.564 -25.836 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.945 -6.060 -25.945 1.00 0.00 H new ATOM 1119 N GLN A 70 -0.666 -5.717 -30.588 1.00 0.00 N ATOM 1120 CA GLN A 70 -0.342 -5.446 -31.980 1.00 0.00 C ATOM 1121 C GLN A 70 -1.535 -5.739 -32.872 1.00 0.00 C ATOM 1122 O GLN A 70 -1.790 -5.033 -33.848 1.00 0.00 O ATOM 1123 CB GLN A 70 0.873 -6.264 -32.416 1.00 0.00 C ATOM 1124 CG GLN A 70 2.141 -5.906 -31.663 1.00 0.00 C ATOM 1125 CD GLN A 70 2.513 -4.445 -31.827 1.00 0.00 C ATOM 1126 OE1 GLN A 70 2.240 -3.832 -32.862 1.00 0.00 O ATOM 1127 NE2 GLN A 70 3.126 -3.876 -30.811 1.00 0.00 N ATOM 0 H GLN A 70 -0.169 -6.512 -30.185 1.00 0.00 H new ATOM 0 HA GLN A 70 -0.095 -4.389 -32.077 1.00 0.00 H new ATOM 0 HB2 GLN A 70 0.660 -7.323 -32.271 1.00 0.00 H new ATOM 0 HB3 GLN A 70 1.038 -6.115 -33.483 1.00 0.00 H new ATOM 0 HG2 GLN A 70 2.008 -6.128 -30.604 1.00 0.00 H new ATOM 0 HG3 GLN A 70 2.961 -6.530 -32.019 1.00 0.00 H new ATOM 0 HE21 GLN A 70 3.334 -4.418 -29.972 1.00 0.00 H new ATOM 0 HE22 GLN A 70 3.393 -2.893 -30.862 1.00 0.00 H new ATOM 1136 N LEU A 71 -2.266 -6.782 -32.529 1.00 0.00 N ATOM 1137 CA LEU A 71 -3.464 -7.162 -33.263 1.00 0.00 C ATOM 1138 C LEU A 71 -4.566 -6.130 -33.051 1.00 0.00 C ATOM 1139 O LEU A 71 -5.254 -5.749 -33.992 1.00 0.00 O ATOM 1140 CB LEU A 71 -3.957 -8.545 -32.811 1.00 0.00 C ATOM 1141 CG LEU A 71 -3.342 -9.778 -33.495 1.00 0.00 C ATOM 1142 CD1 LEU A 71 -1.825 -9.715 -33.518 1.00 0.00 C ATOM 1143 CD2 LEU A 71 -3.804 -11.044 -32.787 1.00 0.00 C ATOM 0 H LEU A 71 -2.050 -7.389 -31.738 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.215 -7.205 -34.323 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.779 -8.631 -31.739 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.036 -8.582 -32.959 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.684 -9.791 -34.530 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.431 -10.605 -34.010 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.506 -8.827 -34.064 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.447 -9.668 -32.497 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.366 -11.914 -33.275 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.487 -11.014 -31.745 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.891 -11.111 -32.834 1.00 0.00 H new ATOM 1155 N PHE A 72 -4.726 -5.675 -31.811 1.00 0.00 N ATOM 1156 CA PHE A 72 -5.742 -4.676 -31.512 1.00 0.00 C ATOM 1157 C PHE A 72 -5.401 -3.354 -32.172 1.00 0.00 C ATOM 1158 O PHE A 72 -6.278 -2.663 -32.689 1.00 0.00 O ATOM 1159 CB PHE A 72 -5.937 -4.470 -30.009 1.00 0.00 C ATOM 1160 CG PHE A 72 -6.968 -3.413 -29.717 1.00 0.00 C ATOM 1161 CD1 PHE A 72 -8.319 -3.710 -29.790 1.00 0.00 C ATOM 1162 CD2 PHE A 72 -6.587 -2.116 -29.403 1.00 0.00 C ATOM 1163 CE1 PHE A 72 -9.268 -2.736 -29.558 1.00 0.00 C ATOM 1164 CE2 PHE A 72 -7.532 -1.140 -29.166 1.00 0.00 C ATOM 1165 CZ PHE A 72 -8.874 -1.449 -29.246 1.00 0.00 C ATOM 0 H PHE A 72 -4.173 -5.978 -31.009 1.00 0.00 H new ATOM 0 HA PHE A 72 -6.681 -5.054 -31.916 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -6.241 -5.411 -29.550 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -4.987 -4.186 -29.555 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -8.633 -4.715 -30.031 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -5.538 -1.868 -29.344 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -10.318 -2.979 -29.620 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -7.222 -0.136 -28.918 1.00 0.00 H new ATOM 0 HZ PHE A 72 -9.616 -0.686 -29.065 1.00 0.00 H new ATOM 1175 N GLN A 73 -4.129 -2.999 -32.151 1.00 0.00 N ATOM 1176 CA GLN A 73 -3.685 -1.788 -32.780 1.00 0.00 C ATOM 1177 C GLN A 73 -3.930 -1.885 -34.285 1.00 0.00 C ATOM 1178 O GLN A 73 -4.313 -0.912 -34.929 1.00 0.00 O ATOM 1179 CB GLN A 73 -2.211 -1.555 -32.467 1.00 0.00 C ATOM 1180 CG GLN A 73 -1.702 -0.198 -32.881 1.00 0.00 C ATOM 1181 CD GLN A 73 -2.516 0.940 -32.292 1.00 0.00 C ATOM 1182 OE1 GLN A 73 -3.492 1.392 -32.886 1.00 0.00 O ATOM 1183 NE2 GLN A 73 -2.117 1.412 -31.128 1.00 0.00 N ATOM 0 H GLN A 73 -3.390 -3.540 -31.701 1.00 0.00 H new ATOM 0 HA GLN A 73 -4.246 -0.936 -32.395 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -2.054 -1.679 -31.396 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -1.619 -2.322 -32.967 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -0.663 -0.094 -32.570 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -1.718 -0.125 -33.968 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -1.301 1.009 -30.667 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -2.624 2.180 -30.688 1.00 0.00 H new ATOM 1192 N ARG A 74 -3.736 -3.088 -34.824 1.00 0.00 N ATOM 1193 CA ARG A 74 -4.010 -3.363 -36.225 1.00 0.00 C ATOM 1194 C ARG A 74 -5.505 -3.188 -36.488 1.00 0.00 C ATOM 1195 O ARG A 74 -5.917 -2.666 -37.523 1.00 0.00 O ATOM 1196 CB ARG A 74 -3.590 -4.801 -36.568 1.00 0.00 C ATOM 1197 CG ARG A 74 -3.603 -5.108 -38.049 1.00 0.00 C ATOM 1198 CD ARG A 74 -2.497 -4.362 -38.750 1.00 0.00 C ATOM 1199 NE ARG A 74 -2.729 -4.247 -40.191 1.00 0.00 N ATOM 1200 CZ ARG A 74 -2.341 -3.206 -40.934 1.00 0.00 C ATOM 1201 NH1 ARG A 74 -1.780 -2.144 -40.363 1.00 0.00 N1+ ATOM 1202 NH2 ARG A 74 -2.543 -3.215 -42.248 1.00 0.00 N ATOM 0 H ARG A 74 -3.387 -3.892 -34.302 1.00 0.00 H new ATOM 0 HA ARG A 74 -3.444 -2.670 -36.848 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -2.587 -4.978 -36.179 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -4.257 -5.495 -36.057 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -3.483 -6.180 -38.206 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -4.566 -4.829 -38.476 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -2.404 -3.365 -38.319 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -1.550 -4.874 -38.577 1.00 0.00 H new ATOM 0 HE ARG A 74 -3.218 -5.011 -40.658 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -1.644 -2.121 -39.352 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -1.486 -1.353 -40.936 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -2.994 -4.016 -42.689 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -2.247 -2.420 -42.815 1.00 0.00 H new ATOM 1216 N PHE A 75 -6.296 -3.634 -35.526 1.00 0.00 N ATOM 1217 CA PHE A 75 -7.742 -3.515 -35.583 1.00 0.00 C ATOM 1218 C PHE A 75 -8.137 -2.044 -35.669 1.00 0.00 C ATOM 1219 O PHE A 75 -8.986 -1.667 -36.476 1.00 0.00 O ATOM 1220 CB PHE A 75 -8.383 -4.185 -34.361 1.00 0.00 C ATOM 1221 CG PHE A 75 -9.884 -4.148 -34.355 1.00 0.00 C ATOM 1222 CD1 PHE A 75 -10.612 -4.985 -35.184 1.00 0.00 C ATOM 1223 CD2 PHE A 75 -10.567 -3.281 -33.519 1.00 0.00 C ATOM 1224 CE1 PHE A 75 -11.991 -4.957 -35.179 1.00 0.00 C ATOM 1225 CE2 PHE A 75 -11.946 -3.250 -33.512 1.00 0.00 C ATOM 1226 CZ PHE A 75 -12.659 -4.087 -34.343 1.00 0.00 C ATOM 0 H PHE A 75 -5.951 -4.090 -34.681 1.00 0.00 H new ATOM 0 HA PHE A 75 -8.107 -4.025 -36.475 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -8.056 -5.224 -34.317 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -8.015 -3.697 -33.458 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -10.094 -5.667 -35.842 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -10.014 -2.622 -32.866 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -12.547 -5.616 -35.829 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -12.467 -2.570 -32.855 1.00 0.00 H new ATOM 0 HZ PHE A 75 -13.739 -4.062 -34.340 1.00 0.00 H new ATOM 1236 N ARG A 76 -7.505 -1.218 -34.838 1.00 0.00 N ATOM 1237 CA ARG A 76 -7.744 0.220 -34.855 1.00 0.00 C ATOM 1238 C ARG A 76 -7.430 0.812 -36.229 1.00 0.00 C ATOM 1239 O ARG A 76 -8.226 1.584 -36.771 1.00 0.00 O ATOM 1240 CB ARG A 76 -6.904 0.932 -33.780 1.00 0.00 C ATOM 1241 CG ARG A 76 -7.016 2.454 -33.829 1.00 0.00 C ATOM 1242 CD ARG A 76 -8.409 2.922 -33.438 1.00 0.00 C ATOM 1243 NE ARG A 76 -8.806 4.144 -34.146 1.00 0.00 N ATOM 1244 CZ ARG A 76 -9.507 5.138 -33.606 1.00 0.00 C ATOM 1245 NH1 ARG A 76 -9.765 5.157 -32.299 1.00 0.00 N1+ ATOM 1246 NH2 ARG A 76 -9.926 6.130 -34.371 1.00 0.00 N ATOM 0 H ARG A 76 -6.823 -1.522 -34.144 1.00 0.00 H new ATOM 0 HA ARG A 76 -8.800 0.378 -34.637 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -7.217 0.584 -32.796 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -5.858 0.648 -33.900 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -6.280 2.896 -33.157 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -6.781 2.805 -34.834 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -9.128 2.131 -33.651 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -8.441 3.101 -32.363 1.00 0.00 H new ATOM 0 HE ARG A 76 -8.525 4.239 -35.122 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -9.424 4.404 -31.701 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -10.303 5.924 -31.897 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -9.712 6.131 -35.368 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -10.464 6.895 -33.964 1.00 0.00 H new ATOM 1260 N GLU A 77 -6.299 0.407 -36.809 1.00 0.00 N ATOM 1261 CA GLU A 77 -5.867 0.938 -38.099 1.00 0.00 C ATOM 1262 C GLU A 77 -6.876 0.585 -39.173 1.00 0.00 C ATOM 1263 O GLU A 77 -7.142 1.373 -40.077 1.00 0.00 O ATOM 1264 CB GLU A 77 -4.501 0.363 -38.498 1.00 0.00 C ATOM 1265 CG GLU A 77 -3.387 0.600 -37.495 1.00 0.00 C ATOM 1266 CD GLU A 77 -2.061 0.035 -37.968 1.00 0.00 C ATOM 1267 OE1 GLU A 77 -1.791 -1.166 -37.729 1.00 0.00 O ATOM 1268 OE2 GLU A 77 -1.285 0.782 -38.592 1.00 0.00 O1- ATOM 0 H GLU A 77 -5.668 -0.286 -36.405 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.787 2.021 -38.004 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -4.607 -0.711 -38.653 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -4.207 0.796 -39.454 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.282 1.670 -37.318 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -3.655 0.144 -36.542 1.00 0.00 H new ATOM 1275 N ALA A 78 -7.457 -0.595 -39.050 1.00 0.00 N ATOM 1276 CA ALA A 78 -8.397 -1.087 -40.026 1.00 0.00 C ATOM 1277 C ALA A 78 -9.706 -0.307 -39.983 1.00 0.00 C ATOM 1278 O ALA A 78 -10.348 -0.111 -41.014 1.00 0.00 O ATOM 1279 CB ALA A 78 -8.641 -2.572 -39.825 1.00 0.00 C ATOM 0 H ALA A 78 -7.288 -1.233 -38.272 1.00 0.00 H new ATOM 0 HA ALA A 78 -7.963 -0.939 -41.015 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -9.353 -2.928 -40.570 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.701 -3.113 -39.934 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -9.044 -2.743 -38.827 1.00 0.00 H new ATOM 1285 N ILE A 79 -10.089 0.173 -38.796 1.00 0.00 N ATOM 1286 CA ILE A 79 -11.338 0.911 -38.647 1.00 0.00 C ATOM 1287 C ILE A 79 -11.178 2.297 -39.239 1.00 0.00 C ATOM 1288 O ILE A 79 -12.064 2.807 -39.933 1.00 0.00 O ATOM 1289 CB ILE A 79 -11.751 1.048 -37.156 1.00 0.00 C ATOM 1290 CG1 ILE A 79 -11.988 -0.331 -36.543 1.00 0.00 C ATOM 1291 CG2 ILE A 79 -13.001 1.918 -37.017 1.00 0.00 C ATOM 1292 CD1 ILE A 79 -12.422 -0.294 -35.099 1.00 0.00 C ATOM 0 H ILE A 79 -9.555 0.063 -37.934 1.00 0.00 H new ATOM 0 HA ILE A 79 -12.117 0.355 -39.170 1.00 0.00 H new ATOM 0 HB ILE A 79 -10.937 1.534 -36.617 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -12.747 -0.851 -37.127 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -11.071 -0.915 -36.621 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -13.272 2.000 -35.964 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -12.800 2.911 -37.418 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -13.824 1.464 -37.569 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -12.570 -1.312 -34.737 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -11.654 0.196 -34.501 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -13.357 0.260 -35.014 1.00 0.00 H new ATOM 1304 N ASP A 80 -10.017 2.886 -38.979 1.00 0.00 N ATOM 1305 CA ASP A 80 -9.700 4.224 -39.453 1.00 0.00 C ATOM 1306 C ASP A 80 -9.628 4.250 -40.975 1.00 0.00 C ATOM 1307 O ASP A 80 -9.932 5.256 -41.605 1.00 0.00 O ATOM 1308 CB ASP A 80 -8.366 4.704 -38.850 1.00 0.00 C ATOM 1309 CG ASP A 80 -8.444 4.980 -37.355 1.00 0.00 C ATOM 1310 OD1 ASP A 80 -9.260 5.831 -36.932 1.00 0.00 O ATOM 1311 OD2 ASP A 80 -7.677 4.371 -36.593 1.00 0.00 O1- ATOM 0 H ASP A 80 -9.272 2.450 -38.435 1.00 0.00 H new ATOM 0 HA ASP A 80 -10.493 4.899 -39.132 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -7.600 3.950 -39.033 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -8.049 5.612 -39.364 1.00 0.00 H new ATOM 1316 N LYS A 81 -9.225 3.130 -41.559 1.00 0.00 N ATOM 1317 CA LYS A 81 -9.121 3.011 -43.012 1.00 0.00 C ATOM 1318 C LYS A 81 -10.430 2.520 -43.635 1.00 0.00 C ATOM 1319 O LYS A 81 -10.531 2.394 -44.855 1.00 0.00 O ATOM 1320 CB LYS A 81 -7.987 2.057 -43.382 1.00 0.00 C ATOM 1321 CG LYS A 81 -6.628 2.491 -42.867 1.00 0.00 C ATOM 1322 CD LYS A 81 -5.600 1.390 -43.041 1.00 0.00 C ATOM 1323 CE LYS A 81 -4.293 1.738 -42.355 1.00 0.00 C ATOM 1324 NZ LYS A 81 -3.623 2.905 -42.978 1.00 0.00 N1+ ATOM 0 H LYS A 81 -8.963 2.286 -41.049 1.00 0.00 H new ATOM 0 HA LYS A 81 -8.910 4.004 -43.408 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -8.215 1.067 -42.988 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -7.941 1.965 -44.467 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -6.302 3.384 -43.400 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -6.704 2.759 -41.813 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -5.990 0.458 -42.632 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -5.421 1.222 -44.103 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -4.483 1.950 -41.303 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -3.626 0.877 -42.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -2.711 3.073 -42.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -3.463 2.715 -43.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -4.225 3.747 -42.876 1.00 0.00 H new ATOM 1338 N GLY A 82 -11.430 2.247 -42.799 1.00 0.00 N ATOM 1339 CA GLY A 82 -12.706 1.763 -43.302 1.00 0.00 C ATOM 1340 C GLY A 82 -12.632 0.364 -43.888 1.00 0.00 C ATOM 1341 O GLY A 82 -13.423 0.010 -44.764 1.00 0.00 O ATOM 0 H GLY A 82 -11.380 2.352 -41.786 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -13.434 1.771 -42.491 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -13.071 2.450 -44.066 1.00 0.00 H new ATOM 1345 N ASP A 83 -11.687 -0.428 -43.424 1.00 0.00 N ATOM 1346 CA ASP A 83 -11.537 -1.781 -43.927 1.00 0.00 C ATOM 1347 C ASP A 83 -12.315 -2.750 -43.054 1.00 0.00 C ATOM 1348 O ASP A 83 -11.841 -3.181 -42.004 1.00 0.00 O ATOM 1349 CB ASP A 83 -10.068 -2.194 -44.014 1.00 0.00 C ATOM 1350 CG ASP A 83 -9.878 -3.456 -44.835 1.00 0.00 C ATOM 1351 OD1 ASP A 83 -10.154 -4.555 -44.326 1.00 0.00 O ATOM 1352 OD2 ASP A 83 -9.445 -3.349 -46.007 1.00 0.00 O1- ATOM 0 H ASP A 83 -11.015 -0.162 -42.704 1.00 0.00 H new ATOM 0 HA ASP A 83 -11.941 -1.809 -44.939 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -9.489 -1.383 -44.457 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -9.676 -2.353 -43.009 1.00 0.00 H new ATOM 1357 N LYS A 84 -13.513 -3.077 -43.497 1.00 0.00 N ATOM 1358 CA LYS A 84 -14.403 -3.941 -42.735 1.00 0.00 C ATOM 1359 C LYS A 84 -13.955 -5.389 -42.813 1.00 0.00 C ATOM 1360 O LYS A 84 -14.195 -6.179 -41.895 1.00 0.00 O ATOM 1361 CB LYS A 84 -15.848 -3.807 -43.205 1.00 0.00 C ATOM 1362 CG LYS A 84 -16.466 -2.443 -42.926 1.00 0.00 C ATOM 1363 CD LYS A 84 -17.943 -2.415 -43.298 1.00 0.00 C ATOM 1364 CE LYS A 84 -18.760 -3.356 -42.423 1.00 0.00 C ATOM 1365 NZ LYS A 84 -20.183 -3.393 -42.825 1.00 0.00 N1+ ATOM 0 H LYS A 84 -13.897 -2.757 -44.386 1.00 0.00 H new ATOM 0 HA LYS A 84 -14.355 -3.620 -41.695 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -15.890 -4.001 -44.277 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -16.450 -4.574 -42.718 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -16.351 -2.199 -41.870 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -15.933 -1.678 -43.490 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -18.325 -1.399 -43.196 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -18.061 -2.696 -44.344 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -18.341 -4.360 -42.481 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -18.686 -3.040 -41.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -20.702 -4.045 -42.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -20.591 -2.440 -42.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -20.257 -3.720 -43.810 1.00 0.00 H new ATOM 1379 N ASP A 85 -13.293 -5.725 -43.912 1.00 0.00 N ATOM 1380 CA ASP A 85 -12.838 -7.089 -44.164 1.00 0.00 C ATOM 1381 C ASP A 85 -11.870 -7.547 -43.095 1.00 0.00 C ATOM 1382 O ASP A 85 -12.036 -8.623 -42.508 1.00 0.00 O ATOM 1383 CB ASP A 85 -12.157 -7.179 -45.528 1.00 0.00 C ATOM 1384 CG ASP A 85 -13.100 -6.913 -46.677 1.00 0.00 C ATOM 1385 OD1 ASP A 85 -13.861 -7.828 -47.056 1.00 0.00 O ATOM 1386 OD2 ASP A 85 -13.087 -5.784 -47.210 1.00 0.00 O1- ATOM 0 H ASP A 85 -13.056 -5.064 -44.652 1.00 0.00 H new ATOM 0 HA ASP A 85 -13.714 -7.737 -44.148 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -11.336 -6.463 -45.566 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -11.721 -8.171 -45.645 1.00 0.00 H new ATOM 1391 N SER A 86 -10.863 -6.725 -42.831 1.00 0.00 N ATOM 1392 CA SER A 86 -9.849 -7.042 -41.848 1.00 0.00 C ATOM 1393 C SER A 86 -10.420 -7.054 -40.441 1.00 0.00 C ATOM 1394 O SER A 86 -9.962 -7.807 -39.597 1.00 0.00 O ATOM 1395 CB SER A 86 -8.694 -6.047 -41.939 1.00 0.00 C ATOM 1396 OG SER A 86 -8.241 -5.922 -43.276 1.00 0.00 O ATOM 0 H SER A 86 -10.731 -5.825 -43.293 1.00 0.00 H new ATOM 0 HA SER A 86 -9.477 -8.043 -42.066 1.00 0.00 H new ATOM 0 HB2 SER A 86 -9.016 -5.074 -41.567 1.00 0.00 H new ATOM 0 HB3 SER A 86 -7.873 -6.376 -41.302 1.00 0.00 H new ATOM 0 HG SER A 86 -8.910 -5.438 -43.804 1.00 0.00 H new ATOM 1402 N LEU A 87 -11.437 -6.236 -40.197 1.00 0.00 N ATOM 1403 CA LEU A 87 -12.025 -6.128 -38.866 1.00 0.00 C ATOM 1404 C LEU A 87 -12.556 -7.470 -38.389 1.00 0.00 C ATOM 1405 O LEU A 87 -12.273 -7.891 -37.273 1.00 0.00 O ATOM 1406 CB LEU A 87 -13.144 -5.080 -38.848 1.00 0.00 C ATOM 1407 CG LEU A 87 -12.709 -3.650 -39.163 1.00 0.00 C ATOM 1408 CD1 LEU A 87 -13.886 -2.694 -39.082 1.00 0.00 C ATOM 1409 CD2 LEU A 87 -11.605 -3.215 -38.225 1.00 0.00 C ATOM 0 H LEU A 87 -11.871 -5.639 -40.901 1.00 0.00 H new ATOM 0 HA LEU A 87 -11.238 -5.810 -38.183 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -13.907 -5.376 -39.568 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -13.612 -5.091 -37.864 1.00 0.00 H new ATOM 0 HG LEU A 87 -12.326 -3.628 -40.183 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -13.550 -1.683 -39.310 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -14.648 -2.994 -39.801 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -14.306 -2.718 -38.076 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -11.307 -2.194 -38.463 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -11.963 -3.258 -37.197 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.748 -3.879 -38.339 1.00 0.00 H new ATOM 1421 N GLU A 88 -13.299 -8.152 -39.243 1.00 0.00 N ATOM 1422 CA GLU A 88 -13.839 -9.461 -38.900 1.00 0.00 C ATOM 1423 C GLU A 88 -12.717 -10.482 -38.699 1.00 0.00 C ATOM 1424 O GLU A 88 -12.794 -11.344 -37.822 1.00 0.00 O ATOM 1425 CB GLU A 88 -14.821 -9.936 -39.966 1.00 0.00 C ATOM 1426 CG GLU A 88 -16.031 -9.031 -40.115 1.00 0.00 C ATOM 1427 CD GLU A 88 -17.079 -9.603 -41.032 1.00 0.00 C ATOM 1428 OE1 GLU A 88 -17.095 -9.239 -42.230 1.00 0.00 O ATOM 1429 OE2 GLU A 88 -17.904 -10.416 -40.562 1.00 0.00 O1- ATOM 0 H GLU A 88 -13.543 -7.824 -40.178 1.00 0.00 H new ATOM 0 HA GLU A 88 -14.379 -9.367 -37.958 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -14.304 -10.000 -40.923 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -15.157 -10.943 -39.717 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -16.471 -8.856 -39.133 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -15.709 -8.062 -40.498 1.00 0.00 H new ATOM 1436 N GLN A 89 -11.673 -10.371 -39.508 1.00 0.00 N ATOM 1437 CA GLN A 89 -10.526 -11.272 -39.420 1.00 0.00 C ATOM 1438 C GLN A 89 -9.766 -11.042 -38.118 1.00 0.00 C ATOM 1439 O GLN A 89 -9.415 -11.987 -37.409 1.00 0.00 O ATOM 1440 CB GLN A 89 -9.589 -11.036 -40.603 1.00 0.00 C ATOM 1441 CG GLN A 89 -10.238 -11.246 -41.957 1.00 0.00 C ATOM 1442 CD GLN A 89 -9.365 -10.780 -43.101 1.00 0.00 C ATOM 1443 OE1 GLN A 89 -8.575 -9.847 -42.956 1.00 0.00 O ATOM 1444 NE2 GLN A 89 -9.496 -11.421 -44.242 1.00 0.00 N ATOM 0 H GLN A 89 -11.594 -9.663 -40.238 1.00 0.00 H new ATOM 0 HA GLN A 89 -10.890 -12.299 -39.441 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -9.204 -10.018 -40.550 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -8.733 -11.705 -40.514 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -10.465 -12.304 -42.086 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -11.187 -10.710 -41.988 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -10.162 -12.189 -44.322 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -8.931 -11.150 -45.047 1.00 0.00 H new ATOM 1453 N LEU A 90 -9.541 -9.778 -37.806 1.00 0.00 N ATOM 1454 CA LEU A 90 -8.812 -9.387 -36.615 1.00 0.00 C ATOM 1455 C LEU A 90 -9.595 -9.712 -35.351 1.00 0.00 C ATOM 1456 O LEU A 90 -9.013 -10.022 -34.324 1.00 0.00 O ATOM 1457 CB LEU A 90 -8.458 -7.903 -36.673 1.00 0.00 C ATOM 1458 CG LEU A 90 -7.504 -7.504 -37.806 1.00 0.00 C ATOM 1459 CD1 LEU A 90 -7.397 -5.999 -37.913 1.00 0.00 C ATOM 1460 CD2 LEU A 90 -6.129 -8.117 -37.589 1.00 0.00 C ATOM 0 H LEU A 90 -9.860 -8.993 -38.374 1.00 0.00 H new ATOM 0 HA LEU A 90 -7.887 -9.963 -36.581 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -9.379 -7.330 -36.776 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -8.008 -7.615 -35.723 1.00 0.00 H new ATOM 0 HG LEU A 90 -7.911 -7.887 -38.742 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -6.715 -5.739 -38.723 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -8.381 -5.578 -38.118 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -7.017 -5.594 -36.975 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.467 -7.822 -38.403 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -5.719 -7.765 -36.642 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -6.214 -9.203 -37.566 1.00 0.00 H new ATOM 1472 N LEU A 91 -10.915 -9.661 -35.439 1.00 0.00 N ATOM 1473 CA LEU A 91 -11.755 -9.987 -34.292 1.00 0.00 C ATOM 1474 C LEU A 91 -11.590 -11.452 -33.926 1.00 0.00 C ATOM 1475 O LEU A 91 -11.547 -11.809 -32.746 1.00 0.00 O ATOM 1476 CB LEU A 91 -13.230 -9.669 -34.566 1.00 0.00 C ATOM 1477 CG LEU A 91 -13.608 -8.185 -34.551 1.00 0.00 C ATOM 1478 CD1 LEU A 91 -15.066 -7.998 -34.925 1.00 0.00 C ATOM 1479 CD2 LEU A 91 -13.335 -7.575 -33.186 1.00 0.00 C ATOM 0 H LEU A 91 -11.426 -9.400 -36.282 1.00 0.00 H new ATOM 0 HA LEU A 91 -11.434 -9.369 -33.453 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -13.496 -10.082 -35.539 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -13.837 -10.186 -33.823 1.00 0.00 H new ATOM 0 HG LEU A 91 -12.992 -7.673 -35.290 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -15.313 -6.936 -34.908 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -15.239 -8.395 -35.925 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -15.696 -8.528 -34.211 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -13.610 -6.520 -33.197 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -13.923 -8.096 -32.430 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -12.275 -7.671 -32.950 1.00 0.00 H new ATOM 1491 N GLU A 92 -11.476 -12.289 -34.948 1.00 0.00 N ATOM 1492 CA GLU A 92 -11.297 -13.717 -34.760 1.00 0.00 C ATOM 1493 C GLU A 92 -9.985 -14.012 -34.023 1.00 0.00 C ATOM 1494 O GLU A 92 -9.963 -14.770 -33.052 1.00 0.00 O ATOM 1495 CB GLU A 92 -11.308 -14.419 -36.125 1.00 0.00 C ATOM 1496 CG GLU A 92 -11.222 -15.932 -36.057 1.00 0.00 C ATOM 1497 CD GLU A 92 -12.401 -16.548 -35.340 1.00 0.00 C ATOM 1498 OE1 GLU A 92 -13.434 -16.805 -35.992 1.00 0.00 O ATOM 1499 OE2 GLU A 92 -12.304 -16.778 -34.120 1.00 0.00 O1- ATOM 0 H GLU A 92 -11.505 -11.997 -35.925 1.00 0.00 H new ATOM 0 HA GLU A 92 -12.118 -14.095 -34.151 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -12.221 -14.143 -36.653 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -10.472 -14.047 -36.717 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -11.165 -16.335 -37.068 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -10.302 -16.218 -35.548 1.00 0.00 H new ATOM 1506 N GLU A 93 -8.905 -13.381 -34.463 1.00 0.00 N ATOM 1507 CA GLU A 93 -7.605 -13.592 -33.837 1.00 0.00 C ATOM 1508 C GLU A 93 -7.520 -12.919 -32.465 1.00 0.00 C ATOM 1509 O GLU A 93 -6.883 -13.444 -31.553 1.00 0.00 O ATOM 1510 CB GLU A 93 -6.447 -13.172 -34.758 1.00 0.00 C ATOM 1511 CG GLU A 93 -6.576 -11.788 -35.359 1.00 0.00 C ATOM 1512 CD GLU A 93 -5.515 -11.518 -36.404 1.00 0.00 C ATOM 1513 OE1 GLU A 93 -4.424 -11.042 -36.044 1.00 0.00 O ATOM 1514 OE2 GLU A 93 -5.760 -11.804 -37.592 1.00 0.00 O1- ATOM 0 H GLU A 93 -8.901 -12.724 -35.244 1.00 0.00 H new ATOM 0 HA GLU A 93 -7.501 -14.664 -33.672 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -5.517 -13.220 -34.192 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -6.366 -13.897 -35.568 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -7.563 -11.680 -35.809 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -6.503 -11.042 -34.568 1.00 0.00 H new ATOM 1521 N LEU A 94 -8.188 -11.778 -32.312 1.00 0.00 N ATOM 1522 CA LEU A 94 -8.207 -11.064 -31.035 1.00 0.00 C ATOM 1523 C LEU A 94 -8.917 -11.884 -29.969 1.00 0.00 C ATOM 1524 O LEU A 94 -8.425 -12.020 -28.849 1.00 0.00 O ATOM 1525 CB LEU A 94 -8.895 -9.702 -31.176 1.00 0.00 C ATOM 1526 CG LEU A 94 -8.079 -8.597 -31.846 1.00 0.00 C ATOM 1527 CD1 LEU A 94 -8.952 -7.381 -32.114 1.00 0.00 C ATOM 1528 CD2 LEU A 94 -6.897 -8.214 -30.973 1.00 0.00 C ATOM 0 H LEU A 94 -8.723 -11.328 -33.054 1.00 0.00 H new ATOM 0 HA LEU A 94 -7.172 -10.905 -30.733 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -9.815 -9.841 -31.744 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -9.183 -9.360 -30.182 1.00 0.00 H new ATOM 0 HG LEU A 94 -7.704 -8.971 -32.799 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -8.356 -6.603 -32.591 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -9.775 -7.662 -32.771 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -9.351 -7.005 -31.172 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -6.324 -7.426 -31.462 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.258 -7.856 -30.009 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.260 -9.085 -30.821 1.00 0.00 H new ATOM 1540 N GLU A 95 -10.082 -12.413 -30.322 1.00 0.00 N ATOM 1541 CA GLU A 95 -10.875 -13.228 -29.410 1.00 0.00 C ATOM 1542 C GLU A 95 -10.112 -14.477 -28.963 1.00 0.00 C ATOM 1543 O GLU A 95 -10.061 -14.788 -27.769 1.00 0.00 O ATOM 1544 CB GLU A 95 -12.182 -13.628 -30.095 1.00 0.00 C ATOM 1545 CG GLU A 95 -13.081 -14.523 -29.263 1.00 0.00 C ATOM 1546 CD GLU A 95 -14.346 -14.894 -29.997 1.00 0.00 C ATOM 1547 OE1 GLU A 95 -14.326 -15.880 -30.773 1.00 0.00 O ATOM 1548 OE2 GLU A 95 -15.366 -14.201 -29.814 1.00 0.00 O1- ATOM 0 H GLU A 95 -10.502 -12.290 -31.243 1.00 0.00 H new ATOM 0 HA GLU A 95 -11.089 -12.637 -28.519 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -12.732 -12.724 -30.356 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -11.946 -14.138 -31.029 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -12.540 -15.430 -28.993 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -13.337 -14.015 -28.333 1.00 0.00 H new ATOM 1555 N GLN A 96 -9.492 -15.163 -29.914 1.00 0.00 N ATOM 1556 CA GLN A 96 -8.753 -16.388 -29.617 1.00 0.00 C ATOM 1557 C GLN A 96 -7.538 -16.102 -28.751 1.00 0.00 C ATOM 1558 O GLN A 96 -7.225 -16.862 -27.829 1.00 0.00 O ATOM 1559 CB GLN A 96 -8.319 -17.078 -30.907 1.00 0.00 C ATOM 1560 CG GLN A 96 -9.472 -17.617 -31.732 1.00 0.00 C ATOM 1561 CD GLN A 96 -9.015 -18.235 -33.035 1.00 0.00 C ATOM 1562 OE1 GLN A 96 -7.902 -18.756 -33.137 1.00 0.00 O ATOM 1563 NE2 GLN A 96 -9.858 -18.173 -34.039 1.00 0.00 N ATOM 0 H GLN A 96 -9.485 -14.894 -30.898 1.00 0.00 H new ATOM 0 HA GLN A 96 -9.420 -17.050 -29.065 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -7.751 -16.372 -31.512 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -7.646 -17.899 -30.660 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -10.013 -18.363 -31.150 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -10.172 -16.809 -31.943 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -10.770 -17.733 -33.913 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -9.602 -18.565 -34.945 1.00 0.00 H new ATOM 1572 N ALA A 97 -6.870 -14.999 -29.040 1.00 0.00 N ATOM 1573 CA ALA A 97 -5.685 -14.612 -28.299 1.00 0.00 C ATOM 1574 C ALA A 97 -6.052 -14.186 -26.887 1.00 0.00 C ATOM 1575 O ALA A 97 -5.426 -14.613 -25.922 1.00 0.00 O ATOM 1576 CB ALA A 97 -4.942 -13.499 -29.022 1.00 0.00 C ATOM 0 H ALA A 97 -7.130 -14.354 -29.786 1.00 0.00 H new ATOM 0 HA ALA A 97 -5.024 -15.476 -28.233 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -4.056 -13.222 -28.451 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -4.643 -13.844 -30.011 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -5.594 -12.632 -29.123 1.00 0.00 H new ATOM 1582 N LEU A 98 -7.098 -13.374 -26.770 1.00 0.00 N ATOM 1583 CA LEU A 98 -7.552 -12.884 -25.473 1.00 0.00 C ATOM 1584 C LEU A 98 -7.983 -14.044 -24.583 1.00 0.00 C ATOM 1585 O LEU A 98 -7.625 -14.102 -23.401 1.00 0.00 O ATOM 1586 CB LEU A 98 -8.704 -11.870 -25.659 1.00 0.00 C ATOM 1587 CG LEU A 98 -9.305 -11.260 -24.379 1.00 0.00 C ATOM 1588 CD1 LEU A 98 -9.788 -9.845 -24.646 1.00 0.00 C ATOM 1589 CD2 LEU A 98 -10.464 -12.109 -23.867 1.00 0.00 C ATOM 0 H LEU A 98 -7.649 -13.040 -27.561 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.723 -12.374 -24.981 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -8.342 -11.055 -26.286 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -9.505 -12.363 -26.209 1.00 0.00 H new ATOM 0 HG LEU A 98 -8.525 -11.236 -23.618 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -10.210 -9.426 -23.733 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -8.950 -9.230 -24.973 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -10.551 -9.862 -25.424 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -10.873 -11.659 -22.962 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -11.241 -12.161 -24.629 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -10.107 -13.114 -23.643 1.00 0.00 H new ATOM 1601 N GLN A 99 -8.749 -14.965 -25.153 1.00 0.00 N ATOM 1602 CA GLN A 99 -9.210 -16.125 -24.426 1.00 0.00 C ATOM 1603 C GLN A 99 -8.035 -16.972 -23.946 1.00 0.00 C ATOM 1604 O GLN A 99 -8.027 -17.452 -22.810 1.00 0.00 O ATOM 1605 CB GLN A 99 -10.120 -16.966 -25.312 1.00 0.00 C ATOM 1606 CG GLN A 99 -10.847 -18.055 -24.563 1.00 0.00 C ATOM 1607 CD GLN A 99 -11.928 -17.503 -23.661 1.00 0.00 C ATOM 1608 OE1 GLN A 99 -11.678 -17.159 -22.505 1.00 0.00 O ATOM 1609 NE2 GLN A 99 -13.132 -17.412 -24.182 1.00 0.00 N ATOM 0 H GLN A 99 -9.062 -14.924 -26.123 1.00 0.00 H new ATOM 0 HA GLN A 99 -9.766 -15.781 -23.554 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -10.851 -16.315 -25.791 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -9.525 -17.417 -26.107 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -11.291 -18.750 -25.276 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -10.133 -18.623 -23.966 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -13.295 -17.708 -25.144 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -13.903 -17.045 -23.624 1.00 0.00 H new ATOM 1618 N LYS A 100 -7.027 -17.120 -24.800 1.00 0.00 N ATOM 1619 CA LYS A 100 -5.862 -17.929 -24.479 1.00 0.00 C ATOM 1620 C LYS A 100 -5.047 -17.276 -23.366 1.00 0.00 C ATOM 1621 O LYS A 100 -4.564 -17.954 -22.456 1.00 0.00 O ATOM 1622 CB LYS A 100 -5.002 -18.111 -25.733 1.00 0.00 C ATOM 1623 CG LYS A 100 -3.877 -19.123 -25.590 1.00 0.00 C ATOM 1624 CD LYS A 100 -3.108 -19.261 -26.894 1.00 0.00 C ATOM 1625 CE LYS A 100 -2.072 -20.372 -26.825 1.00 0.00 C ATOM 1626 NZ LYS A 100 -1.329 -20.510 -28.101 1.00 0.00 N1+ ATOM 0 H LYS A 100 -6.996 -16.687 -25.723 1.00 0.00 H new ATOM 0 HA LYS A 100 -6.194 -18.906 -24.129 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -5.646 -18.418 -26.557 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -4.573 -17.147 -26.006 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -3.200 -18.812 -24.794 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -4.286 -20.091 -25.300 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -3.805 -19.464 -27.707 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -2.614 -18.317 -27.126 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -1.371 -20.166 -26.016 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -2.565 -21.315 -26.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -0.632 -21.277 -28.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -1.995 -20.731 -28.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -0.838 -19.618 -28.315 1.00 0.00 H new ATOM 1640 N ILE A 101 -4.903 -15.955 -23.440 1.00 0.00 N ATOM 1641 CA ILE A 101 -4.164 -15.212 -22.429 1.00 0.00 C ATOM 1642 C ILE A 101 -4.828 -15.358 -21.067 1.00 0.00 C ATOM 1643 O ILE A 101 -4.157 -15.638 -20.073 1.00 0.00 O ATOM 1644 CB ILE A 101 -4.046 -13.711 -22.791 1.00 0.00 C ATOM 1645 CG1 ILE A 101 -3.275 -13.546 -24.099 1.00 0.00 C ATOM 1646 CG2 ILE A 101 -3.354 -12.940 -21.667 1.00 0.00 C ATOM 1647 CD1 ILE A 101 -3.266 -12.132 -24.630 1.00 0.00 C ATOM 0 H ILE A 101 -5.289 -15.380 -24.189 1.00 0.00 H new ATOM 0 HA ILE A 101 -3.159 -15.633 -22.390 1.00 0.00 H new ATOM 0 HB ILE A 101 -5.049 -13.305 -22.919 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -2.246 -13.873 -23.947 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -3.710 -14.203 -24.851 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -3.280 -11.887 -21.940 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -3.933 -13.037 -20.749 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -2.354 -13.345 -21.510 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -2.699 -12.096 -25.560 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -4.290 -11.807 -24.816 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -2.803 -11.471 -23.897 1.00 0.00 H new ATOM 1659 N ARG A 102 -6.153 -15.187 -21.022 1.00 0.00 N ATOM 1660 CA ARG A 102 -6.889 -15.351 -19.772 1.00 0.00 C ATOM 1661 C ARG A 102 -6.715 -16.756 -19.234 1.00 0.00 C ATOM 1662 O ARG A 102 -6.539 -16.947 -18.045 1.00 0.00 O ATOM 1663 CB ARG A 102 -8.382 -15.053 -19.946 1.00 0.00 C ATOM 1664 CG ARG A 102 -8.696 -13.616 -20.313 1.00 0.00 C ATOM 1665 CD ARG A 102 -10.175 -13.305 -20.112 1.00 0.00 C ATOM 1666 NE ARG A 102 -11.050 -14.208 -20.866 1.00 0.00 N ATOM 1667 CZ ARG A 102 -12.391 -14.146 -20.852 1.00 0.00 C ATOM 1668 NH1 ARG A 102 -13.018 -13.258 -20.083 1.00 0.00 N1+ ATOM 1669 NH2 ARG A 102 -13.101 -14.995 -21.583 1.00 0.00 N ATOM 0 H ARG A 102 -6.728 -14.938 -21.827 1.00 0.00 H new ATOM 0 HA ARG A 102 -6.478 -14.633 -19.062 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -8.783 -15.708 -20.719 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -8.900 -15.300 -19.019 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -8.094 -12.942 -19.703 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -8.422 -13.435 -21.352 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -10.416 -13.374 -19.051 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -10.371 -12.277 -20.417 1.00 0.00 H new ATOM 0 HE ARG A 102 -10.612 -14.930 -21.438 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -12.479 -12.619 -19.499 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -14.037 -13.217 -20.078 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -12.628 -15.694 -22.155 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -14.120 -14.948 -21.573 1.00 0.00 H new ATOM 1683 N GLU A 103 -6.741 -17.730 -20.127 1.00 0.00 N ATOM 1684 CA GLU A 103 -6.601 -19.123 -19.746 1.00 0.00 C ATOM 1685 C GLU A 103 -5.249 -19.366 -19.062 1.00 0.00 C ATOM 1686 O GLU A 103 -5.169 -20.062 -18.052 1.00 0.00 O ATOM 1687 CB GLU A 103 -6.745 -20.015 -20.983 1.00 0.00 C ATOM 1688 CG GLU A 103 -6.798 -21.498 -20.676 1.00 0.00 C ATOM 1689 CD GLU A 103 -7.931 -21.852 -19.745 1.00 0.00 C ATOM 1690 OE1 GLU A 103 -7.660 -22.275 -18.605 1.00 0.00 O ATOM 1691 OE2 GLU A 103 -9.103 -21.707 -20.144 1.00 0.00 O1- ATOM 0 H GLU A 103 -6.859 -17.579 -21.129 1.00 0.00 H new ATOM 0 HA GLU A 103 -7.388 -19.373 -19.034 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -7.653 -19.733 -21.517 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -5.908 -19.824 -21.654 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -6.908 -22.055 -21.606 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -5.853 -21.808 -20.229 1.00 0.00 H new ATOM 1698 N LEU A 104 -4.196 -18.783 -19.615 1.00 0.00 N ATOM 1699 CA LEU A 104 -2.857 -18.934 -19.060 1.00 0.00 C ATOM 1700 C LEU A 104 -2.678 -18.129 -17.768 1.00 0.00 C ATOM 1701 O LEU A 104 -2.138 -18.636 -16.785 1.00 0.00 O ATOM 1702 CB LEU A 104 -1.809 -18.489 -20.086 1.00 0.00 C ATOM 1703 CG LEU A 104 -1.717 -19.331 -21.359 1.00 0.00 C ATOM 1704 CD1 LEU A 104 -0.802 -18.664 -22.373 1.00 0.00 C ATOM 1705 CD2 LEU A 104 -1.212 -20.728 -21.034 1.00 0.00 C ATOM 0 H LEU A 104 -4.242 -18.199 -20.450 1.00 0.00 H new ATOM 0 HA LEU A 104 -2.721 -19.989 -18.822 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -2.023 -17.459 -20.370 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -0.832 -18.490 -19.602 1.00 0.00 H new ATOM 0 HG LEU A 104 -2.714 -19.412 -21.792 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -0.748 -19.277 -23.273 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -1.196 -17.680 -22.627 1.00 0.00 H new ATOM 0 HD13 LEU A 104 0.196 -18.556 -21.947 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -1.152 -21.315 -21.950 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -0.223 -20.661 -20.580 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -1.898 -21.210 -20.338 1.00 0.00 H new ATOM 1717 N ALA A 105 -3.158 -16.890 -17.772 1.00 0.00 N ATOM 1718 CA ALA A 105 -2.977 -15.980 -16.637 1.00 0.00 C ATOM 1719 C ALA A 105 -3.868 -16.337 -15.451 1.00 0.00 C ATOM 1720 O ALA A 105 -3.502 -16.109 -14.298 1.00 0.00 O ATOM 1721 CB ALA A 105 -3.225 -14.542 -17.070 1.00 0.00 C ATOM 0 H ALA A 105 -3.679 -16.487 -18.551 1.00 0.00 H new ATOM 0 HA ALA A 105 -1.945 -16.087 -16.303 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -3.087 -13.877 -16.218 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -2.522 -14.273 -17.858 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -4.244 -14.445 -17.445 1.00 0.00 H new