USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 840 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= -0.0203 K(o=0.18,f=-1.1) USER MOD Set 1.2: A 100 LYS NZ :NH3+ -121:sc= 0.197 (180deg=-0.0674) USER MOD Set 2.1: A 9 THR OG1 : rot 87:sc= 0.909 USER MOD Set 2.2: A 45 LYS NZ :NH3+ -170:sc= 1.16 (180deg=1.12) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= 0.755 K(o=0.75,f=-4.4!) USER MOD Single : A 15 GLN : amide:sc= 1.08 K(o=1.1,f=-1.5!) USER MOD Single : A 18 GLN : amide:sc= 0.755 K(o=0.76,f=-1.2) USER MOD Single : A 26 LYS NZ :NH3+ -146:sc= 1.26 (180deg=0.935) USER MOD Single : A 31 SER OG : rot 88:sc= 1.25 USER MOD Single : A 34 GLN : amide:sc= -0.026 X(o=-0.026,f=-0.48) USER MOD Single : A 44 GLN : amide:sc= 0.608 K(o=0.61,f=-1.3) USER MOD Single : A 46 HIS : no HE2:sc= -0.081 K(o=-0.081,f=-0.75) USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 52 ASN : amide:sc= -0.297 X(o=-0.3,f=-0.5!) USER MOD Single : A 54 GLN : amide:sc= 0.294 K(o=0.29,f=-5!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.0201 USER MOD Single : A 63 LYS NZ :NH3+ -179:sc= 0.788 (180deg=0.676) USER MOD Single : A 67 GLN : amide:sc= -1.2 K(o=-1.2,f=-1.8) USER MOD Single : A 70 GLN : amide:sc= -0.272 K(o=-0.27,f=-1) USER MOD Single : A 73 GLN : amide:sc= -0.0825 K(o=-0.083,f=-0.93) USER MOD Single : A 81 LYS NZ :NH3+ -137:sc= 0.775 (180deg=0.183) USER MOD Single : A 84 LYS NZ :NH3+ 150:sc= 1.05 (180deg=0.5) USER MOD Single : A 86 SER OG : rot -94:sc= 1.33 USER MOD Single : A 89 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 96 GLN : amide:sc= -0.177 K(o=-0.18,f=-0.84) USER MOD Single : A 99 GLN : amide:sc= -0.246 K(o=-0.25,f=-1.2) USER MOD Single : A 107 LYS NZ :NH3+ 155:sc= 1.29 (180deg=1.16) USER MOD ----------------------------------------------------------------- ATOM 64 N LYS A 5 12.101 4.929 10.544 1.00 0.00 N ATOM 65 CA LYS A 5 12.064 3.996 9.418 1.00 0.00 C ATOM 66 C LYS A 5 10.686 3.353 9.278 1.00 0.00 C ATOM 67 O LYS A 5 10.261 3.006 8.176 1.00 0.00 O ATOM 68 CB LYS A 5 13.147 2.916 9.586 1.00 0.00 C ATOM 69 CG LYS A 5 13.017 2.092 10.864 1.00 0.00 C ATOM 70 CD LYS A 5 14.248 1.225 11.107 1.00 0.00 C ATOM 71 CE LYS A 5 14.427 0.170 10.025 1.00 0.00 C ATOM 72 NZ LYS A 5 15.644 -0.649 10.251 1.00 0.00 N ATOM 0 HA LYS A 5 12.265 4.558 8.506 1.00 0.00 H new ATOM 0 HB2 LYS A 5 13.110 2.244 8.729 1.00 0.00 H new ATOM 0 HB3 LYS A 5 14.126 3.395 9.574 1.00 0.00 H new ATOM 0 HG2 LYS A 5 12.869 2.759 11.713 1.00 0.00 H new ATOM 0 HG3 LYS A 5 12.133 1.458 10.799 1.00 0.00 H new ATOM 0 HD2 LYS A 5 15.135 1.858 11.146 1.00 0.00 H new ATOM 0 HD3 LYS A 5 14.161 0.737 12.078 1.00 0.00 H new ATOM 0 HE2 LYS A 5 13.551 -0.479 10.001 1.00 0.00 H new ATOM 0 HE3 LYS A 5 14.491 0.655 9.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 15.732 -1.356 9.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 16.482 -0.033 10.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 15.572 -1.132 11.169 1.00 0.00 H new ATOM 86 N LEU A 6 9.988 3.220 10.395 1.00 0.00 N ATOM 87 CA LEU A 6 8.657 2.641 10.398 1.00 0.00 C ATOM 88 C LEU A 6 7.670 3.619 9.782 1.00 0.00 C ATOM 89 O LEU A 6 6.845 3.253 8.943 1.00 0.00 O ATOM 90 CB LEU A 6 8.229 2.310 11.832 1.00 0.00 C ATOM 91 CG LEU A 6 9.171 1.396 12.623 1.00 0.00 C ATOM 92 CD1 LEU A 6 8.684 1.242 14.055 1.00 0.00 C ATOM 93 CD2 LEU A 6 9.286 0.036 11.955 1.00 0.00 C ATOM 0 H LEU A 6 10.324 3.507 11.314 1.00 0.00 H new ATOM 0 HA LEU A 6 8.670 1.723 9.811 1.00 0.00 H new ATOM 0 HB2 LEU A 6 8.117 3.245 12.381 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.246 1.841 11.797 1.00 0.00 H new ATOM 0 HG LEU A 6 10.159 1.856 12.639 1.00 0.00 H new ATOM 0 HD11 LEU A 6 9.364 0.590 14.603 1.00 0.00 H new ATOM 0 HD12 LEU A 6 8.653 2.220 14.536 1.00 0.00 H new ATOM 0 HD13 LEU A 6 7.685 0.806 14.055 1.00 0.00 H new ATOM 0 HD21 LEU A 6 9.959 -0.597 12.533 1.00 0.00 H new ATOM 0 HD22 LEU A 6 8.302 -0.430 11.907 1.00 0.00 H new ATOM 0 HD23 LEU A 6 9.679 0.158 10.946 1.00 0.00 H new ATOM 105 N ARG A 7 7.788 4.871 10.184 1.00 0.00 N ATOM 106 CA ARG A 7 6.907 5.919 9.712 1.00 0.00 C ATOM 107 C ARG A 7 7.168 6.249 8.247 1.00 0.00 C ATOM 108 O ARG A 7 6.236 6.331 7.449 1.00 0.00 O ATOM 109 CB ARG A 7 7.092 7.176 10.560 1.00 0.00 C ATOM 110 CG ARG A 7 6.219 8.344 10.132 1.00 0.00 C ATOM 111 CD ARG A 7 6.567 9.600 10.904 1.00 0.00 C ATOM 112 NE ARG A 7 7.914 10.075 10.588 1.00 0.00 N ATOM 113 CZ ARG A 7 8.770 10.572 11.479 1.00 0.00 C ATOM 114 NH1 ARG A 7 8.436 10.641 12.765 1.00 0.00 N ATOM 115 NH2 ARG A 7 9.961 11.001 11.083 1.00 0.00 N ATOM 0 H ARG A 7 8.496 5.188 10.846 1.00 0.00 H new ATOM 0 HA ARG A 7 5.882 5.560 9.803 1.00 0.00 H new ATOM 0 HB2 ARG A 7 6.874 6.935 11.601 1.00 0.00 H new ATOM 0 HB3 ARG A 7 8.137 7.481 10.515 1.00 0.00 H new ATOM 0 HG2 ARG A 7 6.345 8.524 9.064 1.00 0.00 H new ATOM 0 HG3 ARG A 7 5.170 8.095 10.292 1.00 0.00 H new ATOM 0 HD2 ARG A 7 5.843 10.381 10.673 1.00 0.00 H new ATOM 0 HD3 ARG A 7 6.493 9.402 11.973 1.00 0.00 H new ATOM 0 HE ARG A 7 8.219 10.022 9.616 1.00 0.00 H new ATOM 0 HH11 ARG A 7 7.521 10.312 13.073 1.00 0.00 H new ATOM 0 HH12 ARG A 7 9.095 11.022 13.443 1.00 0.00 H new ATOM 0 HH21 ARG A 7 10.220 10.950 10.098 1.00 0.00 H new ATOM 0 HH22 ARG A 7 10.618 11.382 11.764 1.00 0.00 H new ATOM 129 N GLN A 8 8.438 6.414 7.897 1.00 0.00 N ATOM 130 CA GLN A 8 8.807 6.814 6.546 1.00 0.00 C ATOM 131 C GLN A 8 8.417 5.772 5.511 1.00 0.00 C ATOM 132 O GLN A 8 7.961 6.124 4.431 1.00 0.00 O ATOM 133 CB GLN A 8 10.297 7.152 6.447 1.00 0.00 C ATOM 134 CG GLN A 8 10.731 8.295 7.359 1.00 0.00 C ATOM 135 CD GLN A 8 9.802 9.496 7.283 1.00 0.00 C ATOM 136 OE1 GLN A 8 8.836 9.598 8.043 1.00 0.00 O ATOM 137 NE2 GLN A 8 10.084 10.408 6.380 1.00 0.00 N ATOM 0 H GLN A 8 9.227 6.277 8.529 1.00 0.00 H new ATOM 0 HA GLN A 8 8.241 7.718 6.324 1.00 0.00 H new ATOM 0 HB2 GLN A 8 10.879 6.263 6.692 1.00 0.00 H new ATOM 0 HB3 GLN A 8 10.533 7.413 5.415 1.00 0.00 H new ATOM 0 HG2 GLN A 8 10.771 7.937 8.388 1.00 0.00 H new ATOM 0 HG3 GLN A 8 11.741 8.605 7.090 1.00 0.00 H new ATOM 0 HE21 GLN A 8 10.892 10.288 5.769 1.00 0.00 H new ATOM 0 HE22 GLN A 8 9.495 11.236 6.290 1.00 0.00 H new ATOM 146 N THR A 9 8.580 4.495 5.845 1.00 0.00 N ATOM 147 CA THR A 9 8.207 3.421 4.930 1.00 0.00 C ATOM 148 C THR A 9 6.704 3.454 4.642 1.00 0.00 C ATOM 149 O THR A 9 6.277 3.353 3.486 1.00 0.00 O ATOM 150 CB THR A 9 8.602 2.042 5.490 1.00 0.00 C ATOM 151 OG1 THR A 9 10.023 1.991 5.683 1.00 0.00 O ATOM 152 CG2 THR A 9 8.179 0.926 4.543 1.00 0.00 C ATOM 0 H THR A 9 8.965 4.180 6.736 1.00 0.00 H new ATOM 0 HA THR A 9 8.752 3.581 4.000 1.00 0.00 H new ATOM 0 HB THR A 9 8.091 1.899 6.442 1.00 0.00 H new ATOM 0 HG1 THR A 9 10.245 2.342 6.571 1.00 0.00 H new ATOM 0 HG21 THR A 9 8.470 -0.037 4.963 1.00 0.00 H new ATOM 0 HG22 THR A 9 7.097 0.952 4.410 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.667 1.063 3.578 1.00 0.00 H new ATOM 160 N GLY A 10 5.907 3.614 5.697 1.00 0.00 N ATOM 161 CA GLY A 10 4.471 3.709 5.529 1.00 0.00 C ATOM 162 C GLY A 10 4.095 4.952 4.753 1.00 0.00 C ATOM 163 O GLY A 10 3.208 4.927 3.902 1.00 0.00 O ATOM 0 H GLY A 10 6.232 3.679 6.662 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.103 2.826 5.007 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.988 3.726 6.506 1.00 0.00 H new ATOM 167 N ASP A 11 4.789 6.037 5.053 1.00 0.00 N ATOM 168 CA ASP A 11 4.580 7.316 4.387 1.00 0.00 C ATOM 169 C ASP A 11 4.919 7.222 2.892 1.00 0.00 C ATOM 170 O ASP A 11 4.243 7.829 2.058 1.00 0.00 O ATOM 171 CB ASP A 11 5.419 8.398 5.072 1.00 0.00 C ATOM 172 CG ASP A 11 5.308 9.750 4.409 1.00 0.00 C ATOM 173 OD1 ASP A 11 4.251 10.401 4.538 1.00 0.00 O ATOM 174 OD2 ASP A 11 6.289 10.180 3.781 1.00 0.00 O1- ATOM 0 H ASP A 11 5.516 6.058 5.768 1.00 0.00 H new ATOM 0 HA ASP A 11 3.527 7.584 4.467 1.00 0.00 H new ATOM 0 HB2 ASP A 11 5.107 8.485 6.113 1.00 0.00 H new ATOM 0 HB3 ASP A 11 6.464 8.088 5.077 1.00 0.00 H new ATOM 179 N GLU A 12 5.956 6.435 2.558 1.00 0.00 N ATOM 180 CA GLU A 12 6.346 6.229 1.158 1.00 0.00 C ATOM 181 C GLU A 12 5.195 5.609 0.383 1.00 0.00 C ATOM 182 O GLU A 12 4.913 6.000 -0.752 1.00 0.00 O ATOM 183 CB GLU A 12 7.578 5.315 1.045 1.00 0.00 C ATOM 184 CG GLU A 12 8.884 5.934 1.516 1.00 0.00 C ATOM 185 CD GLU A 12 10.076 5.018 1.285 1.00 0.00 C ATOM 186 OE1 GLU A 12 10.380 4.189 2.175 1.00 0.00 O ATOM 187 OE2 GLU A 12 10.717 5.126 0.211 1.00 0.00 O1- ATOM 0 H GLU A 12 6.534 5.936 3.235 1.00 0.00 H new ATOM 0 HA GLU A 12 6.597 7.203 0.739 1.00 0.00 H new ATOM 0 HB2 GLU A 12 7.394 4.409 1.623 1.00 0.00 H new ATOM 0 HB3 GLU A 12 7.692 5.011 0.004 1.00 0.00 H new ATOM 0 HG2 GLU A 12 9.046 6.876 0.992 1.00 0.00 H new ATOM 0 HG3 GLU A 12 8.810 6.168 2.578 1.00 0.00 H new ATOM 194 N LEU A 13 4.522 4.651 1.015 1.00 0.00 N ATOM 195 CA LEU A 13 3.374 3.987 0.413 1.00 0.00 C ATOM 196 C LEU A 13 2.279 4.993 0.110 1.00 0.00 C ATOM 197 O LEU A 13 1.735 5.022 -0.995 1.00 0.00 O ATOM 198 CB LEU A 13 2.831 2.904 1.349 1.00 0.00 C ATOM 199 CG LEU A 13 3.626 1.600 1.413 1.00 0.00 C ATOM 200 CD1 LEU A 13 3.183 0.768 2.608 1.00 0.00 C ATOM 201 CD2 LEU A 13 3.435 0.808 0.128 1.00 0.00 C ATOM 0 H LEU A 13 4.756 4.317 1.950 1.00 0.00 H new ATOM 0 HA LEU A 13 3.699 3.523 -0.518 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.774 3.319 2.355 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.812 2.668 1.043 1.00 0.00 H new ATOM 0 HG LEU A 13 4.683 1.842 1.527 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.758 -0.157 2.640 1.00 0.00 H new ATOM 0 HD12 LEU A 13 3.351 1.332 3.526 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.123 0.533 2.515 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.005 -0.119 0.184 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.378 0.576 -0.003 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.785 1.399 -0.719 1.00 0.00 H new ATOM 213 N VAL A 14 1.976 5.833 1.088 1.00 0.00 N ATOM 214 CA VAL A 14 0.942 6.840 0.935 1.00 0.00 C ATOM 215 C VAL A 14 1.275 7.788 -0.217 1.00 0.00 C ATOM 216 O VAL A 14 0.425 8.071 -1.060 1.00 0.00 O ATOM 217 CB VAL A 14 0.747 7.657 2.235 1.00 0.00 C ATOM 218 CG1 VAL A 14 -0.406 8.637 2.084 1.00 0.00 C ATOM 219 CG2 VAL A 14 0.508 6.732 3.420 1.00 0.00 C ATOM 0 H VAL A 14 2.435 5.835 1.999 1.00 0.00 H new ATOM 0 HA VAL A 14 0.013 6.315 0.713 1.00 0.00 H new ATOM 0 HB VAL A 14 1.659 8.224 2.421 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.527 9.202 3.008 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.195 9.324 1.264 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.324 8.089 1.871 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.373 7.326 4.324 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.387 6.135 3.241 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.366 6.071 3.545 1.00 0.00 H new ATOM 229 N GLN A 15 2.525 8.246 -0.268 1.00 0.00 N ATOM 230 CA GLN A 15 2.960 9.157 -1.324 1.00 0.00 C ATOM 231 C GLN A 15 2.907 8.481 -2.691 1.00 0.00 C ATOM 232 O GLN A 15 2.537 9.105 -3.686 1.00 0.00 O ATOM 233 CB GLN A 15 4.379 9.673 -1.071 1.00 0.00 C ATOM 234 CG GLN A 15 4.553 10.455 0.221 1.00 0.00 C ATOM 235 CD GLN A 15 5.861 11.226 0.246 1.00 0.00 C ATOM 236 OE1 GLN A 15 6.347 11.672 -0.790 1.00 0.00 O ATOM 237 NE2 GLN A 15 6.447 11.373 1.416 1.00 0.00 N ATOM 0 H GLN A 15 3.251 8.002 0.406 1.00 0.00 H new ATOM 0 HA GLN A 15 2.272 10.002 -1.315 1.00 0.00 H new ATOM 0 HB2 GLN A 15 5.062 8.824 -1.060 1.00 0.00 H new ATOM 0 HB3 GLN A 15 4.674 10.308 -1.906 1.00 0.00 H new ATOM 0 HG2 GLN A 15 3.721 11.149 0.340 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.520 9.769 1.067 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.013 10.989 2.255 1.00 0.00 H new ATOM 0 HE22 GLN A 15 7.335 11.871 1.483 1.00 0.00 H new ATOM 246 N ALA A 16 3.282 7.209 -2.736 1.00 0.00 N ATOM 247 CA ALA A 16 3.296 6.458 -3.986 1.00 0.00 C ATOM 248 C ALA A 16 1.895 6.310 -4.557 1.00 0.00 C ATOM 249 O ALA A 16 1.675 6.526 -5.746 1.00 0.00 O ATOM 250 CB ALA A 16 3.934 5.095 -3.777 1.00 0.00 C ATOM 0 H ALA A 16 3.581 6.675 -1.920 1.00 0.00 H new ATOM 0 HA ALA A 16 3.892 7.017 -4.708 1.00 0.00 H new ATOM 0 HB1 ALA A 16 3.937 4.546 -4.719 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.959 5.223 -3.428 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.365 4.537 -3.034 1.00 0.00 H new ATOM 256 N PHE A 17 0.947 5.963 -3.704 1.00 0.00 N ATOM 257 CA PHE A 17 -0.432 5.806 -4.128 1.00 0.00 C ATOM 258 C PHE A 17 -1.059 7.139 -4.527 1.00 0.00 C ATOM 259 O PHE A 17 -1.847 7.200 -5.473 1.00 0.00 O ATOM 260 CB PHE A 17 -1.260 5.071 -3.078 1.00 0.00 C ATOM 261 CG PHE A 17 -1.028 3.581 -3.097 1.00 0.00 C ATOM 262 CD1 PHE A 17 -0.113 2.989 -2.243 1.00 0.00 C ATOM 263 CD2 PHE A 17 -1.723 2.775 -3.983 1.00 0.00 C ATOM 264 CE1 PHE A 17 0.102 1.624 -2.272 1.00 0.00 C ATOM 265 CE2 PHE A 17 -1.513 1.410 -4.015 1.00 0.00 C ATOM 266 CZ PHE A 17 -0.600 0.835 -3.159 1.00 0.00 C ATOM 0 H PHE A 17 1.108 5.785 -2.713 1.00 0.00 H new ATOM 0 HA PHE A 17 -0.428 5.184 -5.023 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.016 5.461 -2.090 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -2.318 5.273 -3.248 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.439 3.601 -1.546 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -2.439 3.220 -4.658 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.819 1.176 -1.601 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -2.064 0.794 -4.710 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.434 -0.232 -3.182 1.00 0.00 H new ATOM 276 N GLN A 18 -0.715 8.206 -3.808 1.00 0.00 N ATOM 277 CA GLN A 18 -1.205 9.532 -4.156 1.00 0.00 C ATOM 278 C GLN A 18 -0.727 9.922 -5.552 1.00 0.00 C ATOM 279 O GLN A 18 -1.481 10.496 -6.340 1.00 0.00 O ATOM 280 CB GLN A 18 -0.751 10.572 -3.134 1.00 0.00 C ATOM 281 CG GLN A 18 -1.384 10.412 -1.764 1.00 0.00 C ATOM 282 CD GLN A 18 -2.900 10.425 -1.812 1.00 0.00 C ATOM 283 OE1 GLN A 18 -3.508 11.055 -2.681 1.00 0.00 O ATOM 284 NE2 GLN A 18 -3.517 9.732 -0.884 1.00 0.00 N ATOM 0 H GLN A 18 -0.106 8.177 -2.991 1.00 0.00 H new ATOM 0 HA GLN A 18 -2.295 9.502 -4.149 1.00 0.00 H new ATOM 0 HB2 GLN A 18 0.333 10.515 -3.031 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -0.983 11.566 -3.516 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -1.047 9.475 -1.320 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -1.039 11.215 -1.113 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -2.977 9.225 -0.183 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -4.536 9.701 -0.864 1.00 0.00 H new ATOM 293 N ARG A 19 0.529 9.605 -5.853 1.00 0.00 N ATOM 294 CA ARG A 19 1.091 9.865 -7.175 1.00 0.00 C ATOM 295 C ARG A 19 0.425 8.975 -8.216 1.00 0.00 C ATOM 296 O ARG A 19 0.167 9.400 -9.342 1.00 0.00 O ATOM 297 CB ARG A 19 2.604 9.636 -7.175 1.00 0.00 C ATOM 298 CG ARG A 19 3.399 10.736 -6.489 1.00 0.00 C ATOM 299 CD ARG A 19 4.881 10.396 -6.425 1.00 0.00 C ATOM 300 NE ARG A 19 5.165 9.342 -5.443 1.00 0.00 N ATOM 301 CZ ARG A 19 5.943 8.270 -5.671 1.00 0.00 C ATOM 302 NH1 ARG A 19 6.425 8.028 -6.884 1.00 0.00 N ATOM 303 NH2 ARG A 19 6.213 7.428 -4.683 1.00 0.00 N ATOM 0 H ARG A 19 1.178 9.167 -5.199 1.00 0.00 H new ATOM 0 HA ARG A 19 0.901 10.908 -7.429 1.00 0.00 H new ATOM 0 HB2 ARG A 19 2.817 8.687 -6.682 1.00 0.00 H new ATOM 0 HB3 ARG A 19 2.947 9.544 -8.206 1.00 0.00 H new ATOM 0 HG2 ARG A 19 3.263 11.674 -7.027 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.016 10.888 -5.480 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.221 10.075 -7.409 1.00 0.00 H new ATOM 0 HD3 ARG A 19 5.447 11.292 -6.169 1.00 0.00 H new ATOM 0 HE ARG A 19 4.741 9.430 -4.520 1.00 0.00 H new ATOM 0 HH11 ARG A 19 6.206 8.659 -7.655 1.00 0.00 H new ATOM 0 HH12 ARG A 19 7.014 7.211 -7.045 1.00 0.00 H new ATOM 0 HH21 ARG A 19 5.830 7.594 -3.752 1.00 0.00 H new ATOM 0 HH22 ARG A 19 6.803 6.614 -4.854 1.00 0.00 H new ATOM 317 N LEU A 20 0.130 7.742 -7.817 1.00 0.00 N ATOM 318 CA LEU A 20 -0.536 6.779 -8.686 1.00 0.00 C ATOM 319 C LEU A 20 -1.903 7.299 -9.106 1.00 0.00 C ATOM 320 O LEU A 20 -2.323 7.114 -10.250 1.00 0.00 O ATOM 321 CB LEU A 20 -0.676 5.429 -7.975 1.00 0.00 C ATOM 322 CG LEU A 20 -1.383 4.319 -8.762 1.00 0.00 C ATOM 323 CD1 LEU A 20 -0.666 4.040 -10.075 1.00 0.00 C ATOM 324 CD2 LEU A 20 -1.473 3.053 -7.925 1.00 0.00 C ATOM 0 H LEU A 20 0.345 7.384 -6.886 1.00 0.00 H new ATOM 0 HA LEU A 20 0.072 6.641 -9.580 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.321 5.078 -7.708 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.219 5.587 -7.043 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.393 4.657 -8.994 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.188 3.249 -10.614 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.654 4.945 -10.682 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.358 3.726 -9.871 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.977 2.274 -8.497 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.469 2.718 -7.662 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.037 3.258 -7.015 1.00 0.00 H new ATOM 336 N ARG A 21 -2.591 7.959 -8.176 1.00 0.00 N ATOM 337 CA ARG A 21 -3.895 8.539 -8.459 1.00 0.00 C ATOM 338 C ARG A 21 -3.785 9.533 -9.607 1.00 0.00 C ATOM 339 O ARG A 21 -4.607 9.536 -10.514 1.00 0.00 O ATOM 340 CB ARG A 21 -4.451 9.245 -7.230 1.00 0.00 C ATOM 341 CG ARG A 21 -5.877 9.724 -7.421 1.00 0.00 C ATOM 342 CD ARG A 21 -6.283 10.722 -6.361 1.00 0.00 C ATOM 343 NE ARG A 21 -6.277 10.154 -5.009 1.00 0.00 N ATOM 344 CZ ARG A 21 -7.383 9.818 -4.330 1.00 0.00 C ATOM 345 NH1 ARG A 21 -8.580 9.898 -4.913 1.00 0.00 N ATOM 346 NH2 ARG A 21 -7.294 9.393 -3.074 1.00 0.00 N ATOM 0 H ARG A 21 -2.264 8.103 -7.221 1.00 0.00 H new ATOM 0 HA ARG A 21 -4.573 7.732 -8.737 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -4.412 8.566 -6.378 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -3.816 10.097 -6.988 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -5.978 10.179 -8.406 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -6.554 8.870 -7.394 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -5.605 11.575 -6.394 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -7.281 11.098 -6.587 1.00 0.00 H new ATOM 0 HE ARG A 21 -5.375 10.005 -4.557 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -8.656 10.216 -5.879 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -9.419 9.641 -4.393 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -6.382 9.322 -2.623 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -8.138 9.138 -2.561 1.00 0.00 H new ATOM 360 N GLU A 22 -2.746 10.360 -9.563 1.00 0.00 N ATOM 361 CA GLU A 22 -2.504 11.353 -10.602 1.00 0.00 C ATOM 362 C GLU A 22 -2.185 10.683 -11.930 1.00 0.00 C ATOM 363 O GLU A 22 -2.680 11.093 -12.983 1.00 0.00 O ATOM 364 CB GLU A 22 -1.359 12.273 -10.206 1.00 0.00 C ATOM 365 CG GLU A 22 -1.652 13.145 -9.004 1.00 0.00 C ATOM 366 CD GLU A 22 -0.560 14.156 -8.762 1.00 0.00 C ATOM 367 OE1 GLU A 22 -0.497 15.153 -9.506 1.00 0.00 O ATOM 368 OE2 GLU A 22 0.244 13.963 -7.827 1.00 0.00 O1- ATOM 0 H GLU A 22 -2.054 10.361 -8.814 1.00 0.00 H new ATOM 0 HA GLU A 22 -3.413 11.943 -10.716 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.477 11.668 -9.996 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.112 12.913 -11.053 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.599 13.663 -9.154 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.768 12.518 -8.120 1.00 0.00 H new ATOM 375 N ILE A 23 -1.355 9.652 -11.874 1.00 0.00 N ATOM 376 CA ILE A 23 -0.977 8.903 -13.061 1.00 0.00 C ATOM 377 C ILE A 23 -2.212 8.277 -13.710 1.00 0.00 C ATOM 378 O ILE A 23 -2.400 8.361 -14.928 1.00 0.00 O ATOM 379 CB ILE A 23 0.057 7.807 -12.720 1.00 0.00 C ATOM 380 CG1 ILE A 23 1.337 8.446 -12.169 1.00 0.00 C ATOM 381 CG2 ILE A 23 0.364 6.963 -13.942 1.00 0.00 C ATOM 382 CD1 ILE A 23 2.391 7.447 -11.748 1.00 0.00 C ATOM 0 H ILE A 23 -0.928 9.314 -11.012 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.519 9.597 -13.766 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.365 7.154 -11.956 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.758 9.105 -12.929 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.080 9.070 -11.313 1.00 0.00 H new ATOM 0 HG21 ILE A 23 1.094 6.197 -13.681 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -0.551 6.487 -14.295 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.770 7.598 -14.730 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.265 7.978 -11.370 1.00 0.00 H new ATOM 0 HD12 ILE A 23 1.990 6.803 -10.965 1.00 0.00 H new ATOM 0 HD13 ILE A 23 2.679 6.839 -12.605 1.00 0.00 H new ATOM 394 N PHE A 24 -3.052 7.666 -12.886 1.00 0.00 N ATOM 395 CA PHE A 24 -4.303 7.084 -13.347 1.00 0.00 C ATOM 396 C PHE A 24 -5.238 8.172 -13.872 1.00 0.00 C ATOM 397 O PHE A 24 -5.929 7.984 -14.872 1.00 0.00 O ATOM 398 CB PHE A 24 -4.984 6.297 -12.217 1.00 0.00 C ATOM 399 CG PHE A 24 -6.392 5.879 -12.539 1.00 0.00 C ATOM 400 CD1 PHE A 24 -6.643 4.939 -13.525 1.00 0.00 C ATOM 401 CD2 PHE A 24 -7.466 6.438 -11.862 1.00 0.00 C ATOM 402 CE1 PHE A 24 -7.935 4.566 -13.830 1.00 0.00 C ATOM 403 CE2 PHE A 24 -8.761 6.065 -12.161 1.00 0.00 C ATOM 404 CZ PHE A 24 -8.997 5.129 -13.147 1.00 0.00 C ATOM 0 H PHE A 24 -2.886 7.561 -11.885 1.00 0.00 H new ATOM 0 HA PHE A 24 -4.079 6.395 -14.161 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -4.392 5.409 -11.996 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -4.993 6.908 -11.314 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.818 4.493 -14.061 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -7.287 7.174 -11.092 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -8.117 3.834 -14.603 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -9.588 6.505 -11.624 1.00 0.00 H new ATOM 0 HZ PHE A 24 -10.009 4.837 -13.385 1.00 0.00 H new ATOM 414 N ASP A 25 -5.242 9.308 -13.190 1.00 0.00 N ATOM 415 CA ASP A 25 -6.088 10.442 -13.558 1.00 0.00 C ATOM 416 C ASP A 25 -5.743 10.955 -14.950 1.00 0.00 C ATOM 417 O ASP A 25 -6.623 11.359 -15.707 1.00 0.00 O ATOM 418 CB ASP A 25 -5.917 11.568 -12.532 1.00 0.00 C ATOM 419 CG ASP A 25 -6.624 12.845 -12.926 1.00 0.00 C ATOM 420 OD1 ASP A 25 -7.837 12.963 -12.660 1.00 0.00 O ATOM 421 OD2 ASP A 25 -5.963 13.746 -13.478 1.00 0.00 O1- ATOM 0 H ASP A 25 -4.662 9.473 -12.367 1.00 0.00 H new ATOM 0 HA ASP A 25 -7.125 10.107 -13.566 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -6.297 11.233 -11.567 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -4.855 11.774 -12.402 1.00 0.00 H new ATOM 426 N LYS A 26 -4.470 10.907 -15.292 1.00 0.00 N ATOM 427 CA LYS A 26 -4.023 11.356 -16.599 1.00 0.00 C ATOM 428 C LYS A 26 -4.074 10.218 -17.615 1.00 0.00 C ATOM 429 O LYS A 26 -4.037 10.449 -18.823 1.00 0.00 O ATOM 430 CB LYS A 26 -2.613 11.949 -16.514 1.00 0.00 C ATOM 431 CG LYS A 26 -2.519 13.183 -15.619 1.00 0.00 C ATOM 432 CD LYS A 26 -3.453 14.289 -16.097 1.00 0.00 C ATOM 433 CE LYS A 26 -3.385 15.517 -15.200 1.00 0.00 C ATOM 434 NZ LYS A 26 -3.788 15.214 -13.801 1.00 0.00 N ATOM 0 H LYS A 26 -3.727 10.562 -14.685 1.00 0.00 H new ATOM 0 HA LYS A 26 -4.702 12.138 -16.939 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -1.930 11.187 -16.140 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -2.278 12.212 -17.517 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -2.770 12.911 -14.594 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.493 13.550 -15.609 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -3.191 14.570 -17.117 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -4.476 13.914 -16.122 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -2.370 15.913 -15.206 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -4.033 16.295 -15.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -4.274 16.038 -13.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -4.430 14.396 -13.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -2.943 14.996 -13.236 1.00 0.00 H new ATOM 448 N GLY A 27 -4.165 8.993 -17.115 1.00 0.00 N ATOM 449 CA GLY A 27 -4.253 7.836 -17.983 1.00 0.00 C ATOM 450 C GLY A 27 -2.915 7.447 -18.571 1.00 0.00 C ATOM 451 O GLY A 27 -2.850 6.855 -19.650 1.00 0.00 O ATOM 0 H GLY A 27 -4.179 8.780 -16.118 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.657 6.994 -17.420 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.954 8.045 -18.791 1.00 0.00 H new ATOM 455 N ASP A 28 -1.846 7.771 -17.866 1.00 0.00 N ATOM 456 CA ASP A 28 -0.507 7.458 -18.339 1.00 0.00 C ATOM 457 C ASP A 28 -0.115 6.051 -17.902 1.00 0.00 C ATOM 458 O ASP A 28 0.420 5.849 -16.812 1.00 0.00 O ATOM 459 CB ASP A 28 0.508 8.486 -17.821 1.00 0.00 C ATOM 460 CG ASP A 28 1.868 8.360 -18.485 1.00 0.00 C ATOM 461 OD1 ASP A 28 2.152 9.134 -19.419 1.00 0.00 O ATOM 462 OD2 ASP A 28 2.658 7.497 -18.075 1.00 0.00 O1- ATOM 0 H ASP A 28 -1.877 8.250 -16.966 1.00 0.00 H new ATOM 0 HA ASP A 28 -0.504 7.501 -19.428 1.00 0.00 H new ATOM 0 HB2 ASP A 28 0.119 9.490 -17.989 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.623 8.365 -16.744 1.00 0.00 H new ATOM 467 N ASP A 29 -0.414 5.078 -18.749 1.00 0.00 N ATOM 468 CA ASP A 29 -0.134 3.672 -18.451 1.00 0.00 C ATOM 469 C ASP A 29 1.362 3.424 -18.329 1.00 0.00 C ATOM 470 O ASP A 29 1.797 2.532 -17.598 1.00 0.00 O ATOM 471 CB ASP A 29 -0.724 2.764 -19.537 1.00 0.00 C ATOM 472 CG ASP A 29 -0.038 2.935 -20.880 1.00 0.00 C ATOM 473 OD1 ASP A 29 -0.312 3.933 -21.568 1.00 0.00 O ATOM 474 OD2 ASP A 29 0.778 2.067 -21.251 1.00 0.00 O1- ATOM 0 H ASP A 29 -0.854 5.233 -19.656 1.00 0.00 H new ATOM 0 HA ASP A 29 -0.602 3.436 -17.495 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -0.640 1.724 -19.221 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -1.787 2.979 -19.647 1.00 0.00 H new ATOM 479 N ASP A 30 2.139 4.232 -19.031 1.00 0.00 N ATOM 480 CA ASP A 30 3.589 4.110 -19.035 1.00 0.00 C ATOM 481 C ASP A 30 4.162 4.271 -17.626 1.00 0.00 C ATOM 482 O ASP A 30 4.929 3.422 -17.153 1.00 0.00 O ATOM 483 CB ASP A 30 4.185 5.162 -19.969 1.00 0.00 C ATOM 484 CG ASP A 30 5.689 5.205 -19.922 1.00 0.00 C ATOM 485 OD1 ASP A 30 6.330 4.310 -20.503 1.00 0.00 O ATOM 486 OD2 ASP A 30 6.241 6.145 -19.316 1.00 0.00 O1- ATOM 0 H ASP A 30 1.784 4.990 -19.614 1.00 0.00 H new ATOM 0 HA ASP A 30 3.852 3.114 -19.390 1.00 0.00 H new ATOM 0 HB2 ASP A 30 3.865 4.957 -20.990 1.00 0.00 H new ATOM 0 HB3 ASP A 30 3.790 6.142 -19.702 1.00 0.00 H new ATOM 491 N SER A 31 3.774 5.348 -16.965 1.00 0.00 N ATOM 492 CA SER A 31 4.209 5.629 -15.605 1.00 0.00 C ATOM 493 C SER A 31 3.529 4.697 -14.602 1.00 0.00 C ATOM 494 O SER A 31 4.110 4.338 -13.579 1.00 0.00 O ATOM 495 CB SER A 31 3.927 7.089 -15.250 1.00 0.00 C ATOM 496 OG SER A 31 4.475 7.963 -16.231 1.00 0.00 O ATOM 0 H SER A 31 3.149 6.053 -17.355 1.00 0.00 H new ATOM 0 HA SER A 31 5.283 5.453 -15.551 1.00 0.00 H new ATOM 0 HB2 SER A 31 2.851 7.248 -15.175 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.352 7.319 -14.273 1.00 0.00 H new ATOM 0 HG SER A 31 3.823 8.098 -16.950 1.00 0.00 H new ATOM 502 N LEU A 32 2.300 4.298 -14.916 1.00 0.00 N ATOM 503 CA LEU A 32 1.499 3.469 -14.022 1.00 0.00 C ATOM 504 C LEU A 32 2.203 2.137 -13.745 1.00 0.00 C ATOM 505 O LEU A 32 2.281 1.701 -12.596 1.00 0.00 O ATOM 506 CB LEU A 32 0.106 3.237 -14.647 1.00 0.00 C ATOM 507 CG LEU A 32 -1.058 2.965 -13.676 1.00 0.00 C ATOM 508 CD1 LEU A 32 -2.387 3.081 -14.403 1.00 0.00 C ATOM 509 CD2 LEU A 32 -0.935 1.591 -13.037 1.00 0.00 C ATOM 0 H LEU A 32 1.834 4.538 -15.791 1.00 0.00 H new ATOM 0 HA LEU A 32 1.378 3.983 -13.069 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.148 4.113 -15.244 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.179 2.394 -15.334 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.014 3.713 -12.884 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.202 2.886 -13.705 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.492 4.086 -14.812 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.423 2.354 -15.214 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.772 1.430 -12.357 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.946 0.826 -13.814 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.001 1.531 -12.481 1.00 0.00 H new ATOM 521 N GLU A 33 2.743 1.517 -14.793 1.00 0.00 N ATOM 522 CA GLU A 33 3.457 0.242 -14.655 1.00 0.00 C ATOM 523 C GLU A 33 4.630 0.360 -13.677 1.00 0.00 C ATOM 524 O GLU A 33 4.908 -0.564 -12.907 1.00 0.00 O ATOM 525 CB GLU A 33 3.972 -0.234 -16.011 1.00 0.00 C ATOM 526 CG GLU A 33 2.883 -0.536 -17.020 1.00 0.00 C ATOM 527 CD GLU A 33 3.440 -1.055 -18.323 1.00 0.00 C ATOM 528 OE1 GLU A 33 3.577 -2.285 -18.468 1.00 0.00 O ATOM 529 OE2 GLU A 33 3.749 -0.236 -19.212 1.00 0.00 O1- ATOM 0 H GLU A 33 2.701 1.874 -15.748 1.00 0.00 H new ATOM 0 HA GLU A 33 2.749 -0.486 -14.260 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.632 0.529 -16.424 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.574 -1.131 -15.864 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.197 -1.272 -16.602 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.304 0.368 -17.209 1.00 0.00 H new ATOM 536 N GLN A 34 5.296 1.509 -13.703 1.00 0.00 N ATOM 537 CA GLN A 34 6.457 1.760 -12.849 1.00 0.00 C ATOM 538 C GLN A 34 6.066 1.731 -11.372 1.00 0.00 C ATOM 539 O GLN A 34 6.830 1.269 -10.518 1.00 0.00 O ATOM 540 CB GLN A 34 7.089 3.116 -13.190 1.00 0.00 C ATOM 541 CG GLN A 34 7.395 3.310 -14.670 1.00 0.00 C ATOM 542 CD GLN A 34 8.350 2.269 -15.222 1.00 0.00 C ATOM 543 OE1 GLN A 34 9.214 1.753 -14.511 1.00 0.00 O ATOM 544 NE2 GLN A 34 8.201 1.953 -16.493 1.00 0.00 N ATOM 0 H GLN A 34 5.051 2.290 -14.312 1.00 0.00 H new ATOM 0 HA GLN A 34 7.184 0.969 -13.032 1.00 0.00 H new ATOM 0 HB2 GLN A 34 6.417 3.910 -12.863 1.00 0.00 H new ATOM 0 HB3 GLN A 34 8.013 3.226 -12.622 1.00 0.00 H new ATOM 0 HG2 GLN A 34 6.463 3.276 -15.235 1.00 0.00 H new ATOM 0 HG3 GLN A 34 7.822 4.302 -14.820 1.00 0.00 H new ATOM 0 HE21 GLN A 34 7.473 2.403 -17.048 1.00 0.00 H new ATOM 0 HE22 GLN A 34 8.813 1.259 -16.921 1.00 0.00 H new ATOM 553 N VAL A 35 4.872 2.227 -11.080 1.00 0.00 N ATOM 554 CA VAL A 35 4.379 2.297 -9.713 1.00 0.00 C ATOM 555 C VAL A 35 4.241 0.908 -9.086 1.00 0.00 C ATOM 556 O VAL A 35 4.548 0.727 -7.914 1.00 0.00 O ATOM 557 CB VAL A 35 3.030 3.044 -9.634 1.00 0.00 C ATOM 558 CG1 VAL A 35 2.542 3.134 -8.196 1.00 0.00 C ATOM 559 CG2 VAL A 35 3.161 4.430 -10.232 1.00 0.00 C ATOM 0 H VAL A 35 4.223 2.589 -11.778 1.00 0.00 H new ATOM 0 HA VAL A 35 5.121 2.858 -9.145 1.00 0.00 H new ATOM 0 HB VAL A 35 2.295 2.480 -10.208 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.590 3.665 -8.167 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.410 2.130 -7.793 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.276 3.672 -7.596 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.203 4.945 -10.170 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.913 4.995 -9.681 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.462 4.349 -11.276 1.00 0.00 H new ATOM 569 N LEU A 36 3.823 -0.079 -9.881 1.00 0.00 N ATOM 570 CA LEU A 36 3.646 -1.447 -9.371 1.00 0.00 C ATOM 571 C LEU A 36 4.958 -1.994 -8.822 1.00 0.00 C ATOM 572 O LEU A 36 4.977 -2.697 -7.806 1.00 0.00 O ATOM 573 CB LEU A 36 3.110 -2.386 -10.466 1.00 0.00 C ATOM 574 CG LEU A 36 1.603 -2.310 -10.759 1.00 0.00 C ATOM 575 CD1 LEU A 36 1.221 -0.974 -11.366 1.00 0.00 C ATOM 576 CD2 LEU A 36 1.182 -3.452 -11.670 1.00 0.00 C ATOM 0 H LEU A 36 3.602 0.037 -10.870 1.00 0.00 H new ATOM 0 HA LEU A 36 2.914 -1.402 -8.564 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.648 -2.174 -11.390 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.351 -3.411 -10.184 1.00 0.00 H new ATOM 0 HG LEU A 36 1.074 -2.404 -9.811 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.149 -0.956 -11.560 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.478 -0.173 -10.673 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.761 -0.832 -12.302 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.112 -3.384 -11.868 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.730 -3.388 -12.610 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.402 -4.404 -11.186 1.00 0.00 H new ATOM 588 N GLU A 37 6.048 -1.651 -9.481 1.00 0.00 N ATOM 589 CA GLU A 37 7.363 -2.078 -9.051 1.00 0.00 C ATOM 590 C GLU A 37 7.761 -1.383 -7.756 1.00 0.00 C ATOM 591 O GLU A 37 8.281 -2.013 -6.839 1.00 0.00 O ATOM 592 CB GLU A 37 8.393 -1.795 -10.140 1.00 0.00 C ATOM 593 CG GLU A 37 8.239 -2.677 -11.365 1.00 0.00 C ATOM 594 CD GLU A 37 8.425 -4.140 -11.038 1.00 0.00 C ATOM 595 OE1 GLU A 37 7.415 -4.868 -10.947 1.00 0.00 O ATOM 596 OE2 GLU A 37 9.586 -4.569 -10.850 1.00 0.00 O1- ATOM 0 H GLU A 37 6.047 -1.074 -10.322 1.00 0.00 H new ATOM 0 HA GLU A 37 7.330 -3.152 -8.867 1.00 0.00 H new ATOM 0 HB2 GLU A 37 8.313 -0.751 -10.442 1.00 0.00 H new ATOM 0 HB3 GLU A 37 9.393 -1.932 -9.727 1.00 0.00 H new ATOM 0 HG2 GLU A 37 7.250 -2.526 -11.798 1.00 0.00 H new ATOM 0 HG3 GLU A 37 8.967 -2.379 -12.120 1.00 0.00 H new ATOM 603 N GLU A 38 7.491 -0.087 -7.682 1.00 0.00 N ATOM 604 CA GLU A 38 7.828 0.701 -6.538 1.00 0.00 C ATOM 605 C GLU A 38 7.024 0.267 -5.314 1.00 0.00 C ATOM 606 O GLU A 38 7.562 0.167 -4.207 1.00 0.00 O ATOM 607 CB GLU A 38 7.573 2.165 -6.847 1.00 0.00 C ATOM 608 CG GLU A 38 8.108 3.083 -5.803 1.00 0.00 C ATOM 609 CD GLU A 38 7.803 4.540 -6.071 1.00 0.00 C ATOM 610 OE1 GLU A 38 7.754 4.939 -7.252 1.00 0.00 O ATOM 611 OE2 GLU A 38 7.636 5.299 -5.100 1.00 0.00 O1- ATOM 0 H GLU A 38 7.029 0.436 -8.426 1.00 0.00 H new ATOM 0 HA GLU A 38 8.883 0.554 -6.308 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.026 2.412 -7.807 1.00 0.00 H new ATOM 0 HB3 GLU A 38 6.500 2.327 -6.950 1.00 0.00 H new ATOM 0 HG2 GLU A 38 7.690 2.804 -4.836 1.00 0.00 H new ATOM 0 HG3 GLU A 38 9.188 2.952 -5.734 1.00 0.00 H new ATOM 618 N ILE A 39 5.740 0.006 -5.522 1.00 0.00 N ATOM 619 CA ILE A 39 4.861 -0.429 -4.445 1.00 0.00 C ATOM 620 C ILE A 39 5.362 -1.740 -3.848 1.00 0.00 C ATOM 621 O ILE A 39 5.331 -1.930 -2.632 1.00 0.00 O ATOM 622 CB ILE A 39 3.395 -0.607 -4.938 1.00 0.00 C ATOM 623 CG1 ILE A 39 2.832 0.720 -5.453 1.00 0.00 C ATOM 624 CG2 ILE A 39 2.507 -1.156 -3.828 1.00 0.00 C ATOM 625 CD1 ILE A 39 2.850 1.836 -4.432 1.00 0.00 C ATOM 0 H ILE A 39 5.283 0.088 -6.430 1.00 0.00 H new ATOM 0 HA ILE A 39 4.872 0.348 -3.680 1.00 0.00 H new ATOM 0 HB ILE A 39 3.405 -1.325 -5.758 1.00 0.00 H new ATOM 0 HG12 ILE A 39 3.406 1.031 -6.326 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.806 0.563 -5.785 1.00 0.00 H new ATOM 0 HG21 ILE A 39 1.489 -1.270 -4.200 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.886 -2.125 -3.504 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.510 -0.465 -2.985 1.00 0.00 H new ATOM 0 HD11 ILE A 39 2.435 2.741 -4.875 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.252 1.548 -3.568 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.876 2.024 -4.117 1.00 0.00 H new ATOM 637 N GLU A 40 5.862 -2.621 -4.713 1.00 0.00 N ATOM 638 CA GLU A 40 6.357 -3.926 -4.287 1.00 0.00 C ATOM 639 C GLU A 40 7.489 -3.761 -3.277 1.00 0.00 C ATOM 640 O GLU A 40 7.497 -4.400 -2.226 1.00 0.00 O ATOM 641 CB GLU A 40 6.852 -4.725 -5.502 1.00 0.00 C ATOM 642 CG GLU A 40 7.293 -6.149 -5.181 1.00 0.00 C ATOM 643 CD GLU A 40 6.145 -7.035 -4.751 1.00 0.00 C ATOM 644 OE1 GLU A 40 5.702 -7.879 -5.557 1.00 0.00 O ATOM 645 OE2 GLU A 40 5.673 -6.890 -3.610 1.00 0.00 O1- ATOM 0 H GLU A 40 5.934 -2.452 -5.716 1.00 0.00 H new ATOM 0 HA GLU A 40 5.540 -4.470 -3.812 1.00 0.00 H new ATOM 0 HB2 GLU A 40 6.056 -4.763 -6.246 1.00 0.00 H new ATOM 0 HB3 GLU A 40 7.687 -4.192 -5.956 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.772 -6.583 -6.059 1.00 0.00 H new ATOM 0 HG3 GLU A 40 8.042 -6.123 -4.390 1.00 0.00 H new ATOM 652 N GLU A 41 8.418 -2.866 -3.592 1.00 0.00 N ATOM 653 CA GLU A 41 9.566 -2.601 -2.742 1.00 0.00 C ATOM 654 C GLU A 41 9.117 -2.133 -1.362 1.00 0.00 C ATOM 655 O GLU A 41 9.599 -2.615 -0.337 1.00 0.00 O ATOM 656 CB GLU A 41 10.434 -1.520 -3.377 1.00 0.00 C ATOM 657 CG GLU A 41 10.758 -1.760 -4.841 1.00 0.00 C ATOM 658 CD GLU A 41 11.518 -0.608 -5.456 1.00 0.00 C ATOM 659 OE1 GLU A 41 12.685 -0.806 -5.854 1.00 0.00 O ATOM 660 OE2 GLU A 41 10.964 0.505 -5.534 1.00 0.00 O1- ATOM 0 H GLU A 41 8.394 -2.305 -4.444 1.00 0.00 H new ATOM 0 HA GLU A 41 10.137 -3.524 -2.635 1.00 0.00 H new ATOM 0 HB2 GLU A 41 9.926 -0.560 -3.282 1.00 0.00 H new ATOM 0 HB3 GLU A 41 11.367 -1.444 -2.818 1.00 0.00 H new ATOM 0 HG2 GLU A 41 11.347 -2.673 -4.936 1.00 0.00 H new ATOM 0 HG3 GLU A 41 9.832 -1.919 -5.394 1.00 0.00 H new ATOM 667 N LEU A 42 8.178 -1.203 -1.355 1.00 0.00 N ATOM 668 CA LEU A 42 7.674 -0.615 -0.126 1.00 0.00 C ATOM 669 C LEU A 42 6.932 -1.643 0.733 1.00 0.00 C ATOM 670 O LEU A 42 7.079 -1.659 1.958 1.00 0.00 O ATOM 671 CB LEU A 42 6.765 0.563 -0.453 1.00 0.00 C ATOM 672 CG LEU A 42 7.398 1.665 -1.305 1.00 0.00 C ATOM 673 CD1 LEU A 42 6.375 2.733 -1.648 1.00 0.00 C ATOM 674 CD2 LEU A 42 8.589 2.276 -0.587 1.00 0.00 C ATOM 0 H LEU A 42 7.743 -0.834 -2.201 1.00 0.00 H new ATOM 0 HA LEU A 42 8.527 -0.263 0.455 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.884 0.187 -0.973 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.419 1.004 0.482 1.00 0.00 H new ATOM 0 HG LEU A 42 7.749 1.219 -2.235 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.846 3.507 -2.254 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.554 2.284 -2.207 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.990 3.176 -0.730 1.00 0.00 H new ATOM 0 HD21 LEU A 42 9.026 3.058 -1.208 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.262 2.705 0.360 1.00 0.00 H new ATOM 0 HD23 LEU A 42 9.335 1.504 -0.397 1.00 0.00 H new ATOM 686 N ILE A 43 6.145 -2.498 0.089 1.00 0.00 N ATOM 687 CA ILE A 43 5.397 -3.534 0.803 1.00 0.00 C ATOM 688 C ILE A 43 6.350 -4.513 1.483 1.00 0.00 C ATOM 689 O ILE A 43 6.149 -4.891 2.645 1.00 0.00 O ATOM 690 CB ILE A 43 4.444 -4.309 -0.143 1.00 0.00 C ATOM 691 CG1 ILE A 43 3.383 -3.367 -0.714 1.00 0.00 C ATOM 692 CG2 ILE A 43 3.782 -5.475 0.591 1.00 0.00 C ATOM 693 CD1 ILE A 43 2.472 -4.018 -1.731 1.00 0.00 C ATOM 0 H ILE A 43 6.007 -2.497 -0.922 1.00 0.00 H new ATOM 0 HA ILE A 43 4.794 -3.032 1.559 1.00 0.00 H new ATOM 0 HB ILE A 43 5.032 -4.714 -0.966 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.778 -2.977 0.105 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.879 -2.514 -1.178 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.118 -6.005 -0.092 1.00 0.00 H new ATOM 0 HG22 ILE A 43 4.549 -6.159 0.954 1.00 0.00 H new ATOM 0 HG23 ILE A 43 3.206 -5.094 1.435 1.00 0.00 H new ATOM 0 HD11 ILE A 43 1.747 -3.288 -2.090 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.065 -4.383 -2.570 1.00 0.00 H new ATOM 0 HD13 ILE A 43 1.947 -4.853 -1.267 1.00 0.00 H new ATOM 705 N GLN A 44 7.395 -4.904 0.766 1.00 0.00 N ATOM 706 CA GLN A 44 8.381 -5.828 1.303 1.00 0.00 C ATOM 707 C GLN A 44 9.089 -5.220 2.505 1.00 0.00 C ATOM 708 O GLN A 44 9.399 -5.920 3.474 1.00 0.00 O ATOM 709 CB GLN A 44 9.393 -6.236 0.232 1.00 0.00 C ATOM 710 CG GLN A 44 8.760 -6.882 -0.992 1.00 0.00 C ATOM 711 CD GLN A 44 7.805 -8.010 -0.638 1.00 0.00 C ATOM 712 OE1 GLN A 44 7.975 -8.695 0.371 1.00 0.00 O ATOM 713 NE2 GLN A 44 6.793 -8.202 -1.455 1.00 0.00 N ATOM 0 H GLN A 44 7.580 -4.595 -0.188 1.00 0.00 H new ATOM 0 HA GLN A 44 7.856 -6.726 1.630 1.00 0.00 H new ATOM 0 HB2 GLN A 44 9.952 -5.355 -0.081 1.00 0.00 H new ATOM 0 HB3 GLN A 44 10.111 -6.931 0.668 1.00 0.00 H new ATOM 0 HG2 GLN A 44 8.223 -6.123 -1.560 1.00 0.00 H new ATOM 0 HG3 GLN A 44 9.546 -7.268 -1.640 1.00 0.00 H new ATOM 0 HE21 GLN A 44 6.686 -7.614 -2.281 1.00 0.00 H new ATOM 0 HE22 GLN A 44 6.115 -8.939 -1.263 1.00 0.00 H new ATOM 722 N LYS A 45 9.330 -3.912 2.448 1.00 0.00 N ATOM 723 CA LYS A 45 9.956 -3.206 3.556 1.00 0.00 C ATOM 724 C LYS A 45 9.089 -3.300 4.797 1.00 0.00 C ATOM 725 O LYS A 45 9.583 -3.573 5.886 1.00 0.00 O ATOM 726 CB LYS A 45 10.179 -1.734 3.218 1.00 0.00 C ATOM 727 CG LYS A 45 11.255 -1.472 2.180 1.00 0.00 C ATOM 728 CD LYS A 45 11.427 0.023 1.933 1.00 0.00 C ATOM 729 CE LYS A 45 11.779 0.767 3.220 1.00 0.00 C ATOM 730 NZ LYS A 45 11.978 2.220 2.997 1.00 0.00 N ATOM 0 H LYS A 45 9.101 -3.324 1.647 1.00 0.00 H new ATOM 0 HA LYS A 45 10.921 -3.677 3.742 1.00 0.00 H new ATOM 0 HB2 LYS A 45 9.240 -1.312 2.861 1.00 0.00 H new ATOM 0 HB3 LYS A 45 10.440 -1.202 4.133 1.00 0.00 H new ATOM 0 HG2 LYS A 45 12.200 -1.899 2.515 1.00 0.00 H new ATOM 0 HG3 LYS A 45 10.993 -1.970 1.247 1.00 0.00 H new ATOM 0 HD2 LYS A 45 12.211 0.183 1.193 1.00 0.00 H new ATOM 0 HD3 LYS A 45 10.507 0.432 1.515 1.00 0.00 H new ATOM 0 HE2 LYS A 45 10.984 0.620 3.951 1.00 0.00 H new ATOM 0 HE3 LYS A 45 12.687 0.340 3.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 12.377 2.651 3.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 12.632 2.363 2.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 11.064 2.666 2.778 1.00 0.00 H new ATOM 744 N HIS A 46 7.787 -3.092 4.621 1.00 0.00 N ATOM 745 CA HIS A 46 6.851 -3.143 5.735 1.00 0.00 C ATOM 746 C HIS A 46 6.841 -4.533 6.363 1.00 0.00 C ATOM 747 O HIS A 46 6.780 -4.669 7.584 1.00 0.00 O ATOM 748 CB HIS A 46 5.438 -2.749 5.286 1.00 0.00 C ATOM 749 CG HIS A 46 4.477 -2.573 6.427 1.00 0.00 C ATOM 750 ND1 HIS A 46 3.554 -3.520 6.816 1.00 0.00 N ATOM 751 CD2 HIS A 46 4.317 -1.527 7.277 1.00 0.00 C ATOM 752 CE1 HIS A 46 2.879 -3.031 7.864 1.00 0.00 C ATOM 753 NE2 HIS A 46 3.305 -1.824 8.184 1.00 0.00 N ATOM 0 H HIS A 46 7.359 -2.887 3.718 1.00 0.00 H new ATOM 0 HA HIS A 46 7.181 -2.424 6.485 1.00 0.00 H new ATOM 0 HB2 HIS A 46 5.491 -1.820 4.719 1.00 0.00 H new ATOM 0 HB3 HIS A 46 5.053 -3.513 4.611 1.00 0.00 H new ATOM 0 HD1 HIS A 46 3.411 -4.432 6.382 1.00 0.00 H new ATOM 0 HD2 HIS A 46 4.886 -0.609 7.253 1.00 0.00 H new ATOM 0 HE1 HIS A 46 2.089 -3.556 8.380 1.00 0.00 H new ATOM 761 N ARG A 47 6.916 -5.566 5.524 1.00 0.00 N ATOM 762 CA ARG A 47 6.954 -6.935 6.016 1.00 0.00 C ATOM 763 C ARG A 47 8.187 -7.141 6.892 1.00 0.00 C ATOM 764 O ARG A 47 8.111 -7.761 7.955 1.00 0.00 O ATOM 765 CB ARG A 47 6.954 -7.940 4.856 1.00 0.00 C ATOM 766 CG ARG A 47 7.055 -9.393 5.309 1.00 0.00 C ATOM 767 CD ARG A 47 5.813 -9.830 6.076 1.00 0.00 C ATOM 768 NE ARG A 47 6.077 -10.993 6.929 1.00 0.00 N ATOM 769 CZ ARG A 47 5.244 -12.023 7.101 1.00 0.00 C ATOM 770 NH1 ARG A 47 4.105 -12.096 6.411 1.00 0.00 N ATOM 771 NH2 ARG A 47 5.561 -12.986 7.963 1.00 0.00 N ATOM 0 H ARG A 47 6.951 -5.478 4.508 1.00 0.00 H new ATOM 0 HA ARG A 47 6.058 -7.108 6.612 1.00 0.00 H new ATOM 0 HB2 ARG A 47 6.041 -7.812 4.275 1.00 0.00 H new ATOM 0 HB3 ARG A 47 7.789 -7.716 4.192 1.00 0.00 H new ATOM 0 HG2 ARG A 47 7.192 -10.037 4.440 1.00 0.00 H new ATOM 0 HG3 ARG A 47 7.935 -9.518 5.940 1.00 0.00 H new ATOM 0 HD2 ARG A 47 5.456 -9.003 6.690 1.00 0.00 H new ATOM 0 HD3 ARG A 47 5.017 -10.070 5.371 1.00 0.00 H new ATOM 0 HE ARG A 47 6.965 -11.017 7.430 1.00 0.00 H new ATOM 0 HH11 ARG A 47 3.864 -11.362 5.745 1.00 0.00 H new ATOM 0 HH12 ARG A 47 3.475 -12.886 6.549 1.00 0.00 H new ATOM 0 HH21 ARG A 47 6.435 -12.934 8.487 1.00 0.00 H new ATOM 0 HH22 ARG A 47 4.930 -13.776 8.100 1.00 0.00 H new ATOM 785 N GLN A 48 9.317 -6.600 6.444 1.00 0.00 N ATOM 786 CA GLN A 48 10.560 -6.693 7.196 1.00 0.00 C ATOM 787 C GLN A 48 10.447 -5.931 8.509 1.00 0.00 C ATOM 788 O GLN A 48 10.901 -6.397 9.542 1.00 0.00 O ATOM 789 CB GLN A 48 11.734 -6.145 6.383 1.00 0.00 C ATOM 790 CG GLN A 48 12.093 -6.975 5.162 1.00 0.00 C ATOM 791 CD GLN A 48 13.285 -6.410 4.412 1.00 0.00 C ATOM 792 OE1 GLN A 48 14.165 -5.775 5.003 1.00 0.00 O ATOM 793 NE2 GLN A 48 13.328 -6.639 3.112 1.00 0.00 N ATOM 0 H GLN A 48 9.395 -6.093 5.563 1.00 0.00 H new ATOM 0 HA GLN A 48 10.743 -7.746 7.408 1.00 0.00 H new ATOM 0 HB2 GLN A 48 11.496 -5.131 6.061 1.00 0.00 H new ATOM 0 HB3 GLN A 48 12.608 -6.076 7.031 1.00 0.00 H new ATOM 0 HG2 GLN A 48 12.312 -7.997 5.472 1.00 0.00 H new ATOM 0 HG3 GLN A 48 11.234 -7.022 4.492 1.00 0.00 H new ATOM 0 HE21 GLN A 48 12.581 -7.168 2.662 1.00 0.00 H new ATOM 0 HE22 GLN A 48 14.108 -6.287 2.558 1.00 0.00 H new ATOM 802 N LEU A 49 9.826 -4.762 8.453 1.00 0.00 N ATOM 803 CA LEU A 49 9.650 -3.918 9.630 1.00 0.00 C ATOM 804 C LEU A 49 8.753 -4.591 10.665 1.00 0.00 C ATOM 805 O LEU A 49 9.063 -4.597 11.858 1.00 0.00 O ATOM 806 CB LEU A 49 9.058 -2.569 9.232 1.00 0.00 C ATOM 807 CG LEU A 49 9.913 -1.715 8.295 1.00 0.00 C ATOM 808 CD1 LEU A 49 9.189 -0.434 7.943 1.00 0.00 C ATOM 809 CD2 LEU A 49 11.266 -1.412 8.922 1.00 0.00 C ATOM 0 H LEU A 49 9.431 -4.372 7.597 1.00 0.00 H new ATOM 0 HA LEU A 49 10.632 -3.762 10.077 1.00 0.00 H new ATOM 0 HB2 LEU A 49 8.094 -2.744 8.755 1.00 0.00 H new ATOM 0 HB3 LEU A 49 8.865 -1.997 10.139 1.00 0.00 H new ATOM 0 HG LEU A 49 10.085 -2.279 7.378 1.00 0.00 H new ATOM 0 HD11 LEU A 49 9.810 0.163 7.276 1.00 0.00 H new ATOM 0 HD12 LEU A 49 8.248 -0.672 7.447 1.00 0.00 H new ATOM 0 HD13 LEU A 49 8.986 0.131 8.853 1.00 0.00 H new ATOM 0 HD21 LEU A 49 11.856 -0.803 8.237 1.00 0.00 H new ATOM 0 HD22 LEU A 49 11.121 -0.870 9.856 1.00 0.00 H new ATOM 0 HD23 LEU A 49 11.791 -2.346 9.123 1.00 0.00 H new ATOM 821 N PHE A 50 7.648 -5.162 10.202 1.00 0.00 N ATOM 822 CA PHE A 50 6.709 -5.840 11.087 1.00 0.00 C ATOM 823 C PHE A 50 7.378 -7.048 11.739 1.00 0.00 C ATOM 824 O PHE A 50 7.163 -7.332 12.920 1.00 0.00 O ATOM 825 CB PHE A 50 5.459 -6.271 10.307 1.00 0.00 C ATOM 826 CG PHE A 50 4.329 -6.752 11.179 1.00 0.00 C ATOM 827 CD1 PHE A 50 3.546 -5.846 11.879 1.00 0.00 C ATOM 828 CD2 PHE A 50 4.045 -8.104 11.293 1.00 0.00 C ATOM 829 CE1 PHE A 50 2.504 -6.280 12.677 1.00 0.00 C ATOM 830 CE2 PHE A 50 3.003 -8.543 12.091 1.00 0.00 C ATOM 831 CZ PHE A 50 2.232 -7.629 12.783 1.00 0.00 C ATOM 0 H PHE A 50 7.380 -5.169 9.218 1.00 0.00 H new ATOM 0 HA PHE A 50 6.403 -5.148 11.872 1.00 0.00 H new ATOM 0 HB2 PHE A 50 5.109 -5.430 9.708 1.00 0.00 H new ATOM 0 HB3 PHE A 50 5.732 -7.066 9.613 1.00 0.00 H new ATOM 0 HD1 PHE A 50 3.753 -4.789 11.800 1.00 0.00 H new ATOM 0 HD2 PHE A 50 4.644 -8.823 10.753 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.903 -5.564 13.217 1.00 0.00 H new ATOM 0 HE2 PHE A 50 2.793 -9.599 12.173 1.00 0.00 H new ATOM 0 HZ PHE A 50 1.418 -7.969 13.406 1.00 0.00 H new ATOM 841 N ASP A 51 8.203 -7.740 10.967 1.00 0.00 N ATOM 842 CA ASP A 51 8.941 -8.896 11.466 1.00 0.00 C ATOM 843 C ASP A 51 10.051 -8.447 12.411 1.00 0.00 C ATOM 844 O ASP A 51 10.332 -9.103 13.414 1.00 0.00 O ATOM 845 CB ASP A 51 9.536 -9.687 10.300 1.00 0.00 C ATOM 846 CG ASP A 51 10.266 -10.939 10.745 1.00 0.00 C ATOM 847 OD1 ASP A 51 9.642 -12.025 10.757 1.00 0.00 O ATOM 848 OD2 ASP A 51 11.470 -10.850 11.068 1.00 0.00 O1- ATOM 0 H ASP A 51 8.380 -7.521 9.987 1.00 0.00 H new ATOM 0 HA ASP A 51 8.251 -9.539 12.013 1.00 0.00 H new ATOM 0 HB2 ASP A 51 8.738 -9.964 9.611 1.00 0.00 H new ATOM 0 HB3 ASP A 51 10.225 -9.048 9.749 1.00 0.00 H new ATOM 853 N ASN A 52 10.656 -7.303 12.087 1.00 0.00 N ATOM 854 CA ASN A 52 11.745 -6.719 12.879 1.00 0.00 C ATOM 855 C ASN A 52 11.265 -6.412 14.296 1.00 0.00 C ATOM 856 O ASN A 52 12.031 -6.505 15.258 1.00 0.00 O ATOM 857 CB ASN A 52 12.250 -5.429 12.198 1.00 0.00 C ATOM 858 CG ASN A 52 13.563 -4.892 12.768 1.00 0.00 C ATOM 859 OD1 ASN A 52 13.888 -5.082 13.937 1.00 0.00 O ATOM 860 ND2 ASN A 52 14.321 -4.206 11.939 1.00 0.00 N ATOM 0 H ASN A 52 10.405 -6.752 11.266 1.00 0.00 H new ATOM 0 HA ASN A 52 12.564 -7.436 12.938 1.00 0.00 H new ATOM 0 HB2 ASN A 52 12.381 -5.621 11.133 1.00 0.00 H new ATOM 0 HB3 ASN A 52 11.484 -4.659 12.291 1.00 0.00 H new ATOM 0 HD21 ASN A 52 15.206 -3.815 12.262 1.00 0.00 H new ATOM 0 HD22 ASN A 52 14.023 -4.065 10.974 1.00 0.00 H new ATOM 867 N ARG A 53 9.983 -6.078 14.417 1.00 0.00 N ATOM 868 CA ARG A 53 9.379 -5.778 15.712 1.00 0.00 C ATOM 869 C ARG A 53 9.488 -6.979 16.649 1.00 0.00 C ATOM 870 O ARG A 53 9.616 -6.816 17.864 1.00 0.00 O ATOM 871 CB ARG A 53 7.903 -5.396 15.535 1.00 0.00 C ATOM 872 CG ARG A 53 7.151 -5.221 16.849 1.00 0.00 C ATOM 873 CD ARG A 53 5.650 -5.159 16.627 1.00 0.00 C ATOM 874 NE ARG A 53 4.907 -5.229 17.888 1.00 0.00 N ATOM 875 CZ ARG A 53 4.376 -6.353 18.390 1.00 0.00 C ATOM 876 NH1 ARG A 53 4.559 -7.518 17.777 1.00 0.00 N ATOM 877 NH2 ARG A 53 3.680 -6.312 19.512 1.00 0.00 N ATOM 0 H ARG A 53 9.339 -6.008 13.629 1.00 0.00 H new ATOM 0 HA ARG A 53 9.918 -4.938 16.151 1.00 0.00 H new ATOM 0 HB2 ARG A 53 7.843 -4.468 14.967 1.00 0.00 H new ATOM 0 HB3 ARG A 53 7.407 -6.165 14.943 1.00 0.00 H new ATOM 0 HG2 ARG A 53 7.387 -6.049 17.518 1.00 0.00 H new ATOM 0 HG3 ARG A 53 7.485 -4.308 17.342 1.00 0.00 H new ATOM 0 HD2 ARG A 53 5.398 -4.234 16.108 1.00 0.00 H new ATOM 0 HD3 ARG A 53 5.345 -5.981 15.980 1.00 0.00 H new ATOM 0 HE ARG A 53 4.786 -4.366 18.418 1.00 0.00 H new ATOM 0 HH11 ARG A 53 5.107 -7.562 16.918 1.00 0.00 H new ATOM 0 HH12 ARG A 53 4.151 -8.368 18.166 1.00 0.00 H new ATOM 0 HH21 ARG A 53 3.546 -5.425 19.997 1.00 0.00 H new ATOM 0 HH22 ARG A 53 3.276 -7.168 19.893 1.00 0.00 H new ATOM 891 N GLN A 54 9.444 -8.184 16.061 1.00 0.00 N ATOM 892 CA GLN A 54 9.523 -9.441 16.807 1.00 0.00 C ATOM 893 C GLN A 54 8.254 -9.656 17.648 1.00 0.00 C ATOM 894 O GLN A 54 7.472 -8.722 17.862 1.00 0.00 O ATOM 895 CB GLN A 54 10.798 -9.481 17.682 1.00 0.00 C ATOM 896 CG GLN A 54 11.107 -10.841 18.295 1.00 0.00 C ATOM 897 CD GLN A 54 11.163 -11.947 17.258 1.00 0.00 C ATOM 898 OE1 GLN A 54 10.153 -12.598 16.975 1.00 0.00 O ATOM 899 NE2 GLN A 54 12.329 -12.158 16.680 1.00 0.00 N ATOM 0 H GLN A 54 9.352 -8.310 15.053 1.00 0.00 H new ATOM 0 HA GLN A 54 9.588 -10.262 16.093 1.00 0.00 H new ATOM 0 HB2 GLN A 54 11.648 -9.169 17.075 1.00 0.00 H new ATOM 0 HB3 GLN A 54 10.694 -8.751 18.485 1.00 0.00 H new ATOM 0 HG2 GLN A 54 12.061 -10.791 18.820 1.00 0.00 H new ATOM 0 HG3 GLN A 54 10.347 -11.082 19.038 1.00 0.00 H new ATOM 0 HE21 GLN A 54 13.138 -11.596 16.944 1.00 0.00 H new ATOM 0 HE22 GLN A 54 12.422 -12.883 15.968 1.00 0.00 H new ATOM 908 N GLU A 55 8.037 -10.901 18.081 1.00 0.00 N ATOM 909 CA GLU A 55 6.866 -11.280 18.889 1.00 0.00 C ATOM 910 C GLU A 55 5.568 -11.109 18.106 1.00 0.00 C ATOM 911 O GLU A 55 4.481 -11.174 18.664 1.00 0.00 O ATOM 912 CB GLU A 55 6.809 -10.483 20.200 1.00 0.00 C ATOM 913 CG GLU A 55 8.025 -10.676 21.092 1.00 0.00 C ATOM 914 CD GLU A 55 8.271 -12.128 21.436 1.00 0.00 C ATOM 915 OE1 GLU A 55 7.664 -12.626 22.400 1.00 0.00 O ATOM 916 OE2 GLU A 55 9.081 -12.779 20.744 1.00 0.00 O1- ATOM 0 H GLU A 55 8.667 -11.678 17.883 1.00 0.00 H new ATOM 0 HA GLU A 55 6.976 -12.336 19.136 1.00 0.00 H new ATOM 0 HB2 GLU A 55 6.707 -9.423 19.965 1.00 0.00 H new ATOM 0 HB3 GLU A 55 5.916 -10.774 20.752 1.00 0.00 H new ATOM 0 HG2 GLU A 55 8.905 -10.271 20.592 1.00 0.00 H new ATOM 0 HG3 GLU A 55 7.890 -10.107 22.012 1.00 0.00 H new ATOM 923 N ALA A 56 5.696 -10.915 16.809 1.00 0.00 N ATOM 924 CA ALA A 56 4.553 -10.718 15.952 1.00 0.00 C ATOM 925 C ALA A 56 4.137 -12.028 15.318 1.00 0.00 C ATOM 926 O ALA A 56 4.903 -12.631 14.559 1.00 0.00 O ATOM 927 CB ALA A 56 4.870 -9.685 14.883 1.00 0.00 C ATOM 0 H ALA A 56 6.593 -10.890 16.324 1.00 0.00 H new ATOM 0 HA ALA A 56 3.723 -10.350 16.555 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.999 -9.545 14.242 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.127 -8.738 15.357 1.00 0.00 H new ATOM 0 HB3 ALA A 56 5.711 -10.030 14.282 1.00 0.00 H new ATOM 933 N ALA A 57 2.937 -12.477 15.650 1.00 0.00 N ATOM 934 CA ALA A 57 2.400 -13.708 15.105 1.00 0.00 C ATOM 935 C ALA A 57 2.315 -13.637 13.588 1.00 0.00 C ATOM 936 O ALA A 57 1.713 -12.714 13.026 1.00 0.00 O ATOM 937 CB ALA A 57 1.028 -13.999 15.697 1.00 0.00 C ATOM 0 H ALA A 57 2.313 -12.000 16.301 1.00 0.00 H new ATOM 0 HA ALA A 57 3.076 -14.520 15.373 1.00 0.00 H new ATOM 0 HB1 ALA A 57 0.640 -14.927 15.277 1.00 0.00 H new ATOM 0 HB2 ALA A 57 1.112 -14.098 16.779 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.348 -13.181 15.460 1.00 0.00 H new ATOM 943 N ASP A 58 2.911 -14.616 12.934 1.00 0.00 N ATOM 944 CA ASP A 58 2.924 -14.688 11.478 1.00 0.00 C ATOM 945 C ASP A 58 1.508 -14.815 10.930 1.00 0.00 C ATOM 946 O ASP A 58 1.224 -14.390 9.813 1.00 0.00 O ATOM 947 CB ASP A 58 3.788 -15.862 11.020 1.00 0.00 C ATOM 948 CG ASP A 58 3.749 -16.088 9.523 1.00 0.00 C ATOM 949 OD1 ASP A 58 4.278 -15.242 8.768 1.00 0.00 O ATOM 950 OD2 ASP A 58 3.207 -17.128 9.094 1.00 0.00 O1- ATOM 0 H ASP A 58 3.400 -15.385 13.393 1.00 0.00 H new ATOM 0 HA ASP A 58 3.353 -13.765 11.088 1.00 0.00 H new ATOM 0 HB2 ASP A 58 4.819 -15.686 11.327 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.455 -16.768 11.526 1.00 0.00 H new ATOM 955 N THR A 59 0.618 -15.388 11.734 1.00 0.00 N ATOM 956 CA THR A 59 -0.776 -15.530 11.356 1.00 0.00 C ATOM 957 C THR A 59 -1.391 -14.157 11.082 1.00 0.00 C ATOM 958 O THR A 59 -2.110 -13.970 10.102 1.00 0.00 O ATOM 959 CB THR A 59 -1.577 -16.214 12.472 1.00 0.00 C ATOM 960 OG1 THR A 59 -0.802 -17.279 13.039 1.00 0.00 O ATOM 961 CG2 THR A 59 -2.888 -16.770 11.934 1.00 0.00 C ATOM 0 H THR A 59 0.843 -15.762 12.656 1.00 0.00 H new ATOM 0 HA THR A 59 -0.817 -16.143 10.455 1.00 0.00 H new ATOM 0 HB THR A 59 -1.802 -15.473 13.239 1.00 0.00 H new ATOM 0 HG1 THR A 59 -1.315 -17.713 13.752 1.00 0.00 H new ATOM 0 HG21 THR A 59 -3.439 -17.250 12.743 1.00 0.00 H new ATOM 0 HG22 THR A 59 -3.485 -15.957 11.521 1.00 0.00 H new ATOM 0 HG23 THR A 59 -2.680 -17.501 11.153 1.00 0.00 H new ATOM 969 N GLU A 60 -1.068 -13.190 11.940 1.00 0.00 N ATOM 970 CA GLU A 60 -1.584 -11.840 11.795 1.00 0.00 C ATOM 971 C GLU A 60 -0.953 -11.163 10.594 1.00 0.00 C ATOM 972 O GLU A 60 -1.631 -10.476 9.829 1.00 0.00 O ATOM 973 CB GLU A 60 -1.318 -11.016 13.056 1.00 0.00 C ATOM 974 CG GLU A 60 -1.974 -11.569 14.309 1.00 0.00 C ATOM 975 CD GLU A 60 -3.473 -11.716 14.168 1.00 0.00 C ATOM 976 OE1 GLU A 60 -4.177 -10.687 14.095 1.00 0.00 O ATOM 977 OE2 GLU A 60 -3.960 -12.862 14.140 1.00 0.00 O1- ATOM 0 H GLU A 60 -0.451 -13.322 12.741 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.662 -11.904 11.644 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.242 -10.957 13.218 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -1.672 -9.998 12.893 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.538 -12.540 14.544 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -1.755 -10.910 15.149 1.00 0.00 H new ATOM 984 N ALA A 61 0.343 -11.385 10.419 1.00 0.00 N ATOM 985 CA ALA A 61 1.081 -10.801 9.312 1.00 0.00 C ATOM 986 C ALA A 61 0.549 -11.311 7.980 1.00 0.00 C ATOM 987 O ALA A 61 0.377 -10.541 7.031 1.00 0.00 O ATOM 988 CB ALA A 61 2.564 -11.112 9.445 1.00 0.00 C ATOM 0 H ALA A 61 0.906 -11.970 11.036 1.00 0.00 H new ATOM 0 HA ALA A 61 0.946 -9.720 9.341 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.105 -10.669 8.609 1.00 0.00 H new ATOM 0 HB2 ALA A 61 2.940 -10.699 10.381 1.00 0.00 H new ATOM 0 HB3 ALA A 61 2.711 -12.192 9.440 1.00 0.00 H new ATOM 994 N ALA A 62 0.278 -12.606 7.917 1.00 0.00 N ATOM 995 CA ALA A 62 -0.249 -13.216 6.710 1.00 0.00 C ATOM 996 C ALA A 62 -1.676 -12.760 6.452 1.00 0.00 C ATOM 997 O ALA A 62 -2.029 -12.422 5.329 1.00 0.00 O ATOM 998 CB ALA A 62 -0.196 -14.734 6.816 1.00 0.00 C ATOM 0 H ALA A 62 0.416 -13.255 8.692 1.00 0.00 H new ATOM 0 HA ALA A 62 0.371 -12.899 5.871 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.595 -15.177 5.903 1.00 0.00 H new ATOM 0 HB2 ALA A 62 0.837 -15.053 6.953 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -0.793 -15.060 7.668 1.00 0.00 H new ATOM 1004 N LYS A 63 -2.478 -12.724 7.509 1.00 0.00 N ATOM 1005 CA LYS A 63 -3.885 -12.347 7.407 1.00 0.00 C ATOM 1006 C LYS A 63 -4.053 -10.897 6.949 1.00 0.00 C ATOM 1007 O LYS A 63 -4.852 -10.610 6.050 1.00 0.00 O ATOM 1008 CB LYS A 63 -4.568 -12.554 8.761 1.00 0.00 C ATOM 1009 CG LYS A 63 -6.001 -12.059 8.827 1.00 0.00 C ATOM 1010 CD LYS A 63 -6.608 -12.285 10.205 1.00 0.00 C ATOM 1011 CE LYS A 63 -5.773 -11.640 11.302 1.00 0.00 C ATOM 1012 NZ LYS A 63 -6.414 -11.756 12.636 1.00 0.00 N ATOM 0 H LYS A 63 -2.176 -12.953 8.456 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.353 -12.983 6.655 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -4.553 -13.617 9.002 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -3.986 -12.045 9.529 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.031 -10.997 8.585 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.600 -12.574 8.076 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.618 -11.876 10.229 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.693 -13.355 10.394 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.790 -12.109 11.331 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.617 -10.587 11.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.819 -11.288 13.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -7.349 -11.301 12.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.524 -12.760 12.882 1.00 0.00 H new ATOM 1026 N GLN A 64 -3.280 -9.993 7.539 1.00 0.00 N ATOM 1027 CA GLN A 64 -3.358 -8.584 7.182 1.00 0.00 C ATOM 1028 C GLN A 64 -2.716 -8.341 5.830 1.00 0.00 C ATOM 1029 O GLN A 64 -3.230 -7.569 5.014 1.00 0.00 O ATOM 1030 CB GLN A 64 -2.699 -7.705 8.251 1.00 0.00 C ATOM 1031 CG GLN A 64 -3.451 -7.669 9.577 1.00 0.00 C ATOM 1032 CD GLN A 64 -4.869 -7.137 9.434 1.00 0.00 C ATOM 1033 OE1 GLN A 64 -5.157 -6.327 8.555 1.00 0.00 O ATOM 1034 NE2 GLN A 64 -5.755 -7.575 10.307 1.00 0.00 N ATOM 0 H GLN A 64 -2.595 -10.210 8.263 1.00 0.00 H new ATOM 0 HA GLN A 64 -4.412 -8.312 7.123 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -1.686 -8.066 8.430 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -2.612 -6.689 7.867 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -3.485 -8.674 9.998 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -2.903 -7.046 10.284 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -5.477 -8.247 11.022 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -6.718 -7.241 10.267 1.00 0.00 H new ATOM 1043 N GLY A 65 -1.599 -9.015 5.591 1.00 0.00 N ATOM 1044 CA GLY A 65 -0.910 -8.882 4.329 1.00 0.00 C ATOM 1045 C GLY A 65 -1.755 -9.366 3.176 1.00 0.00 C ATOM 1046 O GLY A 65 -1.853 -8.702 2.154 1.00 0.00 O ATOM 0 H GLY A 65 -1.159 -9.653 6.254 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -0.641 -7.838 4.170 1.00 0.00 H new ATOM 0 HA3 GLY A 65 0.020 -9.449 4.361 1.00 0.00 H new ATOM 1050 N ASP A 66 -2.392 -10.518 3.361 1.00 0.00 N ATOM 1051 CA ASP A 66 -3.246 -11.107 2.331 1.00 0.00 C ATOM 1052 C ASP A 66 -4.413 -10.193 2.002 1.00 0.00 C ATOM 1053 O ASP A 66 -4.755 -10.012 0.840 1.00 0.00 O ATOM 1054 CB ASP A 66 -3.759 -12.476 2.781 1.00 0.00 C ATOM 1055 CG ASP A 66 -4.809 -13.047 1.854 1.00 0.00 C ATOM 1056 OD1 ASP A 66 -4.450 -13.535 0.764 1.00 0.00 O ATOM 1057 OD2 ASP A 66 -6.001 -13.033 2.225 1.00 0.00 O1- ATOM 0 H ASP A 66 -2.333 -11.066 4.219 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.647 -11.234 1.429 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.921 -13.170 2.843 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -4.176 -12.390 3.784 1.00 0.00 H new ATOM 1062 N GLN A 67 -4.994 -9.588 3.031 1.00 0.00 N ATOM 1063 CA GLN A 67 -6.123 -8.685 2.847 1.00 0.00 C ATOM 1064 C GLN A 67 -5.676 -7.468 2.039 1.00 0.00 C ATOM 1065 O GLN A 67 -6.393 -6.994 1.153 1.00 0.00 O ATOM 1066 CB GLN A 67 -6.692 -8.268 4.221 1.00 0.00 C ATOM 1067 CG GLN A 67 -8.024 -7.511 4.173 1.00 0.00 C ATOM 1068 CD GLN A 67 -7.875 -6.046 3.801 1.00 0.00 C ATOM 1069 OE1 GLN A 67 -6.855 -5.416 4.095 1.00 0.00 O ATOM 1070 NE2 GLN A 67 -8.888 -5.494 3.161 1.00 0.00 N ATOM 0 H GLN A 67 -4.702 -9.706 4.001 1.00 0.00 H new ATOM 0 HA GLN A 67 -6.915 -9.192 2.295 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -6.823 -9.163 4.829 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -5.956 -7.644 4.727 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -8.682 -7.996 3.452 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -8.509 -7.583 5.146 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -9.713 -6.050 2.937 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -8.846 -4.511 2.890 1.00 0.00 H new ATOM 1079 N TRP A 68 -4.475 -6.990 2.331 1.00 0.00 N ATOM 1080 CA TRP A 68 -3.906 -5.866 1.621 1.00 0.00 C ATOM 1081 C TRP A 68 -3.615 -6.242 0.167 1.00 0.00 C ATOM 1082 O TRP A 68 -3.911 -5.477 -0.756 1.00 0.00 O ATOM 1083 CB TRP A 68 -2.632 -5.391 2.330 1.00 0.00 C ATOM 1084 CG TRP A 68 -1.771 -4.498 1.499 1.00 0.00 C ATOM 1085 CD1 TRP A 68 -0.484 -4.731 1.134 1.00 0.00 C ATOM 1086 CD2 TRP A 68 -2.136 -3.243 0.916 1.00 0.00 C ATOM 1087 NE1 TRP A 68 -0.018 -3.695 0.367 1.00 0.00 N ATOM 1088 CE2 TRP A 68 -1.013 -2.771 0.216 1.00 0.00 C ATOM 1089 CE3 TRP A 68 -3.301 -2.474 0.919 1.00 0.00 C ATOM 1090 CZ2 TRP A 68 -1.019 -1.567 -0.474 1.00 0.00 C ATOM 1091 CZ3 TRP A 68 -3.306 -1.279 0.233 1.00 0.00 C ATOM 1092 CH2 TRP A 68 -2.173 -0.836 -0.456 1.00 0.00 C ATOM 0 H TRP A 68 -3.875 -7.371 3.063 1.00 0.00 H new ATOM 0 HA TRP A 68 -4.626 -5.048 1.618 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -2.911 -4.863 3.242 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -2.050 -6.262 2.631 1.00 0.00 H new ATOM 0 HD1 TRP A 68 0.089 -5.605 1.408 1.00 0.00 H new ATOM 0 HE1 TRP A 68 0.920 -3.625 -0.027 1.00 0.00 H new ATOM 0 HE3 TRP A 68 -4.181 -2.809 1.448 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -0.145 -1.221 -1.005 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 -4.201 -0.674 0.227 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -2.211 0.105 -0.986 1.00 0.00 H new ATOM 1103 N VAL A 69 -3.054 -7.429 -0.030 1.00 0.00 N ATOM 1104 CA VAL A 69 -2.745 -7.912 -1.366 1.00 0.00 C ATOM 1105 C VAL A 69 -4.014 -8.027 -2.204 1.00 0.00 C ATOM 1106 O VAL A 69 -4.017 -7.676 -3.376 1.00 0.00 O ATOM 1107 CB VAL A 69 -2.009 -9.279 -1.328 1.00 0.00 C ATOM 1108 CG1 VAL A 69 -1.800 -9.828 -2.735 1.00 0.00 C ATOM 1109 CG2 VAL A 69 -0.672 -9.137 -0.620 1.00 0.00 C ATOM 0 H VAL A 69 -2.805 -8.073 0.720 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.078 -7.183 -1.826 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.632 -9.983 -0.776 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.283 -10.786 -2.679 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -2.767 -9.966 -3.219 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.201 -9.125 -3.314 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.166 -10.102 -0.600 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.053 -8.414 -1.152 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.836 -8.792 0.401 1.00 0.00 H new ATOM 1119 N GLN A 70 -5.100 -8.482 -1.586 1.00 0.00 N ATOM 1120 CA GLN A 70 -6.370 -8.626 -2.293 1.00 0.00 C ATOM 1121 C GLN A 70 -6.882 -7.280 -2.783 1.00 0.00 C ATOM 1122 O GLN A 70 -7.471 -7.192 -3.857 1.00 0.00 O ATOM 1123 CB GLN A 70 -7.418 -9.315 -1.418 1.00 0.00 C ATOM 1124 CG GLN A 70 -7.027 -10.724 -1.016 1.00 0.00 C ATOM 1125 CD GLN A 70 -6.654 -11.586 -2.207 1.00 0.00 C ATOM 1126 OE1 GLN A 70 -7.200 -11.432 -3.303 1.00 0.00 O ATOM 1127 NE2 GLN A 70 -5.708 -12.480 -2.007 1.00 0.00 N ATOM 0 H GLN A 70 -5.127 -8.756 -0.604 1.00 0.00 H new ATOM 0 HA GLN A 70 -6.189 -9.257 -3.163 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -7.580 -8.720 -0.520 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -8.366 -9.347 -1.955 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -6.185 -10.681 -0.325 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -7.855 -11.189 -0.481 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -5.283 -12.575 -1.085 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -5.401 -13.078 -2.774 1.00 0.00 H new ATOM 1136 N LEU A 71 -6.647 -6.231 -2.003 1.00 0.00 N ATOM 1137 CA LEU A 71 -7.033 -4.887 -2.415 1.00 0.00 C ATOM 1138 C LEU A 71 -6.213 -4.461 -3.624 1.00 0.00 C ATOM 1139 O LEU A 71 -6.732 -3.847 -4.556 1.00 0.00 O ATOM 1140 CB LEU A 71 -6.848 -3.881 -1.271 1.00 0.00 C ATOM 1141 CG LEU A 71 -7.822 -4.010 -0.097 1.00 0.00 C ATOM 1142 CD1 LEU A 71 -7.489 -2.994 0.981 1.00 0.00 C ATOM 1143 CD2 LEU A 71 -9.257 -3.822 -0.570 1.00 0.00 C ATOM 0 H LEU A 71 -6.195 -6.284 -1.090 1.00 0.00 H new ATOM 0 HA LEU A 71 -8.090 -4.902 -2.682 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.833 -3.981 -0.887 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -6.936 -2.875 -1.681 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.723 -5.011 0.323 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.190 -3.099 1.809 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -6.475 -3.165 1.341 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.563 -1.988 0.568 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -9.935 -3.917 0.278 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -9.367 -2.832 -1.014 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -9.497 -4.582 -1.314 1.00 0.00 H new ATOM 1155 N PHE A 72 -4.934 -4.812 -3.607 1.00 0.00 N ATOM 1156 CA PHE A 72 -4.035 -4.498 -4.705 1.00 0.00 C ATOM 1157 C PHE A 72 -4.416 -5.299 -5.952 1.00 0.00 C ATOM 1158 O PHE A 72 -4.449 -4.760 -7.057 1.00 0.00 O ATOM 1159 CB PHE A 72 -2.582 -4.786 -4.303 1.00 0.00 C ATOM 1160 CG PHE A 72 -1.568 -4.395 -5.346 1.00 0.00 C ATOM 1161 CD1 PHE A 72 -1.163 -3.075 -5.476 1.00 0.00 C ATOM 1162 CD2 PHE A 72 -1.019 -5.346 -6.193 1.00 0.00 C ATOM 1163 CE1 PHE A 72 -0.232 -2.712 -6.429 1.00 0.00 C ATOM 1164 CE2 PHE A 72 -0.089 -4.988 -7.149 1.00 0.00 C ATOM 1165 CZ PHE A 72 0.305 -3.670 -7.267 1.00 0.00 C ATOM 0 H PHE A 72 -4.495 -5.318 -2.838 1.00 0.00 H new ATOM 0 HA PHE A 72 -4.126 -3.437 -4.937 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -2.360 -4.254 -3.378 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -2.479 -5.850 -4.092 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -1.581 -2.322 -4.824 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -1.322 -6.379 -6.104 1.00 0.00 H new ATOM 0 HE1 PHE A 72 0.076 -1.681 -6.519 1.00 0.00 H new ATOM 0 HE2 PHE A 72 0.330 -5.738 -7.804 1.00 0.00 H new ATOM 0 HZ PHE A 72 1.032 -3.388 -8.014 1.00 0.00 H new ATOM 1175 N GLN A 73 -4.713 -6.583 -5.760 1.00 0.00 N ATOM 1176 CA GLN A 73 -5.120 -7.455 -6.859 1.00 0.00 C ATOM 1177 C GLN A 73 -6.421 -6.963 -7.464 1.00 0.00 C ATOM 1178 O GLN A 73 -6.560 -6.887 -8.677 1.00 0.00 O ATOM 1179 CB GLN A 73 -5.287 -8.902 -6.379 1.00 0.00 C ATOM 1180 CG GLN A 73 -4.021 -9.517 -5.805 1.00 0.00 C ATOM 1181 CD GLN A 73 -2.873 -9.525 -6.791 1.00 0.00 C ATOM 1182 OE1 GLN A 73 -2.096 -8.576 -6.863 1.00 0.00 O ATOM 1183 NE2 GLN A 73 -2.751 -10.597 -7.546 1.00 0.00 N ATOM 0 H GLN A 73 -4.679 -7.043 -4.850 1.00 0.00 H new ATOM 0 HA GLN A 73 -4.337 -7.430 -7.617 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -6.069 -8.934 -5.621 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -5.628 -9.513 -7.215 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -3.725 -8.963 -4.914 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -4.230 -10.539 -5.490 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -3.418 -11.363 -7.455 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -1.990 -10.661 -8.222 1.00 0.00 H new ATOM 1192 N ARG A 74 -7.367 -6.619 -6.601 1.00 0.00 N ATOM 1193 CA ARG A 74 -8.655 -6.094 -7.028 1.00 0.00 C ATOM 1194 C ARG A 74 -8.461 -4.809 -7.829 1.00 0.00 C ATOM 1195 O ARG A 74 -9.086 -4.610 -8.871 1.00 0.00 O ATOM 1196 CB ARG A 74 -9.543 -5.830 -5.799 1.00 0.00 C ATOM 1197 CG ARG A 74 -10.914 -5.222 -6.099 1.00 0.00 C ATOM 1198 CD ARG A 74 -11.858 -6.205 -6.789 1.00 0.00 C ATOM 1199 NE ARG A 74 -11.471 -6.483 -8.172 1.00 0.00 N ATOM 1200 CZ ARG A 74 -12.033 -5.912 -9.244 1.00 0.00 C ATOM 1201 NH1 ARG A 74 -13.036 -5.053 -9.100 1.00 0.00 N ATOM 1202 NH2 ARG A 74 -11.603 -6.217 -10.459 1.00 0.00 N ATOM 0 H ARG A 74 -7.263 -6.696 -5.589 1.00 0.00 H new ATOM 0 HA ARG A 74 -9.145 -6.829 -7.667 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -9.690 -6.771 -5.269 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -9.009 -5.163 -5.122 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -11.368 -4.882 -5.168 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -10.786 -4.343 -6.731 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -11.878 -7.139 -6.227 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -12.871 -5.802 -6.773 1.00 0.00 H new ATOM 0 HE ARG A 74 -10.722 -7.158 -8.330 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -13.382 -4.825 -8.168 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -13.460 -4.621 -9.921 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -10.843 -6.887 -10.578 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -12.032 -5.782 -11.276 1.00 0.00 H new ATOM 1216 N PHE A 75 -7.578 -3.955 -7.341 1.00 0.00 N ATOM 1217 CA PHE A 75 -7.290 -2.691 -7.994 1.00 0.00 C ATOM 1218 C PHE A 75 -6.614 -2.924 -9.347 1.00 0.00 C ATOM 1219 O PHE A 75 -7.004 -2.336 -10.354 1.00 0.00 O ATOM 1220 CB PHE A 75 -6.408 -1.823 -7.089 1.00 0.00 C ATOM 1221 CG PHE A 75 -6.154 -0.442 -7.620 1.00 0.00 C ATOM 1222 CD1 PHE A 75 -7.154 0.515 -7.592 1.00 0.00 C ATOM 1223 CD2 PHE A 75 -4.918 -0.099 -8.139 1.00 0.00 C ATOM 1224 CE1 PHE A 75 -6.926 1.787 -8.074 1.00 0.00 C ATOM 1225 CE2 PHE A 75 -4.685 1.172 -8.623 1.00 0.00 C ATOM 1226 CZ PHE A 75 -5.690 2.116 -8.591 1.00 0.00 C ATOM 0 H PHE A 75 -7.044 -4.117 -6.487 1.00 0.00 H new ATOM 0 HA PHE A 75 -8.229 -2.167 -8.173 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -6.880 -1.743 -6.110 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -5.452 -2.325 -6.942 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -8.123 0.263 -7.188 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -4.127 -0.834 -8.166 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -7.714 2.525 -8.047 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -3.716 1.427 -9.027 1.00 0.00 H new ATOM 0 HZ PHE A 75 -5.510 3.111 -8.970 1.00 0.00 H new ATOM 1236 N ARG A 76 -5.616 -3.799 -9.363 1.00 0.00 N ATOM 1237 CA ARG A 76 -4.886 -4.109 -10.585 1.00 0.00 C ATOM 1238 C ARG A 76 -5.802 -4.771 -11.613 1.00 0.00 C ATOM 1239 O ARG A 76 -5.765 -4.434 -12.794 1.00 0.00 O ATOM 1240 CB ARG A 76 -3.685 -5.010 -10.284 1.00 0.00 C ATOM 1241 CG ARG A 76 -2.820 -5.300 -11.499 1.00 0.00 C ATOM 1242 CD ARG A 76 -1.652 -6.208 -11.154 1.00 0.00 C ATOM 1243 NE ARG A 76 -0.846 -6.517 -12.335 1.00 0.00 N ATOM 1244 CZ ARG A 76 0.159 -7.394 -12.359 1.00 0.00 C ATOM 1245 NH1 ARG A 76 0.521 -8.027 -11.254 1.00 0.00 N ATOM 1246 NH2 ARG A 76 0.809 -7.624 -13.488 1.00 0.00 N ATOM 0 H ARG A 76 -5.293 -4.308 -8.540 1.00 0.00 H new ATOM 0 HA ARG A 76 -4.520 -3.172 -11.005 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -3.071 -4.538 -9.516 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -4.044 -5.953 -9.871 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -3.427 -5.767 -12.275 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -2.444 -4.363 -11.910 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -1.027 -5.728 -10.401 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.026 -7.133 -10.715 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.068 -6.027 -13.202 1.00 0.00 H new ATOM 0 HH11 ARG A 76 0.031 -7.845 -10.378 1.00 0.00 H new ATOM 0 HH12 ARG A 76 1.290 -8.696 -11.278 1.00 0.00 H new ATOM 0 HH21 ARG A 76 0.542 -7.131 -14.340 1.00 0.00 H new ATOM 0 HH22 ARG A 76 1.577 -8.294 -13.507 1.00 0.00 H new ATOM 1260 N GLU A 77 -6.634 -5.698 -11.151 1.00 0.00 N ATOM 1261 CA GLU A 77 -7.577 -6.398 -12.015 1.00 0.00 C ATOM 1262 C GLU A 77 -8.540 -5.410 -12.660 1.00 0.00 C ATOM 1263 O GLU A 77 -8.878 -5.534 -13.835 1.00 0.00 O ATOM 1264 CB GLU A 77 -8.352 -7.444 -11.207 1.00 0.00 C ATOM 1265 CG GLU A 77 -9.379 -8.233 -12.008 1.00 0.00 C ATOM 1266 CD GLU A 77 -8.764 -9.036 -13.130 1.00 0.00 C ATOM 1267 OE1 GLU A 77 -7.939 -9.922 -12.850 1.00 0.00 O ATOM 1268 OE2 GLU A 77 -9.128 -8.811 -14.296 1.00 0.00 O1- ATOM 0 H GLU A 77 -6.674 -5.984 -10.173 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.020 -6.903 -12.804 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -7.641 -8.142 -10.766 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.860 -6.943 -10.383 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.914 -8.906 -11.338 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -10.115 -7.544 -12.423 1.00 0.00 H new ATOM 1275 N ALA A 78 -8.970 -4.426 -11.889 1.00 0.00 N ATOM 1276 CA ALA A 78 -9.869 -3.408 -12.394 1.00 0.00 C ATOM 1277 C ALA A 78 -9.186 -2.578 -13.484 1.00 0.00 C ATOM 1278 O ALA A 78 -9.811 -2.217 -14.482 1.00 0.00 O ATOM 1279 CB ALA A 78 -10.363 -2.528 -11.262 1.00 0.00 C ATOM 0 H ALA A 78 -8.709 -4.312 -10.909 1.00 0.00 H new ATOM 0 HA ALA A 78 -10.734 -3.898 -12.841 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -11.037 -1.769 -11.659 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -10.894 -3.139 -10.532 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -9.514 -2.043 -10.781 1.00 0.00 H new ATOM 1285 N ILE A 79 -7.894 -2.293 -13.294 1.00 0.00 N ATOM 1286 CA ILE A 79 -7.112 -1.562 -14.295 1.00 0.00 C ATOM 1287 C ILE A 79 -6.924 -2.429 -15.531 1.00 0.00 C ATOM 1288 O ILE A 79 -7.073 -1.969 -16.665 1.00 0.00 O ATOM 1289 CB ILE A 79 -5.708 -1.160 -13.760 1.00 0.00 C ATOM 1290 CG1 ILE A 79 -5.832 -0.258 -12.533 1.00 0.00 C ATOM 1291 CG2 ILE A 79 -4.894 -0.466 -14.851 1.00 0.00 C ATOM 1292 CD1 ILE A 79 -4.500 0.167 -11.952 1.00 0.00 C ATOM 0 H ILE A 79 -7.370 -2.556 -12.460 1.00 0.00 H new ATOM 0 HA ILE A 79 -7.664 -0.654 -14.536 1.00 0.00 H new ATOM 0 HB ILE A 79 -5.186 -2.070 -13.465 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -6.401 0.632 -12.803 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -6.403 -0.780 -11.765 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -3.915 -0.193 -14.457 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -4.769 -1.142 -15.697 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -5.417 0.433 -15.179 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -4.668 0.805 -11.084 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -3.937 -0.716 -11.649 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -3.935 0.718 -12.703 1.00 0.00 H new ATOM 1304 N ASP A 80 -6.616 -3.693 -15.294 1.00 0.00 N ATOM 1305 CA ASP A 80 -6.395 -4.658 -16.359 1.00 0.00 C ATOM 1306 C ASP A 80 -7.668 -4.839 -17.184 1.00 0.00 C ATOM 1307 O ASP A 80 -7.618 -4.971 -18.407 1.00 0.00 O ATOM 1308 CB ASP A 80 -5.955 -5.998 -15.753 1.00 0.00 C ATOM 1309 CG ASP A 80 -5.442 -6.980 -16.781 1.00 0.00 C ATOM 1310 OD1 ASP A 80 -4.243 -6.906 -17.135 1.00 0.00 O ATOM 1311 OD2 ASP A 80 -6.221 -7.844 -17.231 1.00 0.00 O1- ATOM 0 H ASP A 80 -6.512 -4.080 -14.356 1.00 0.00 H new ATOM 0 HA ASP A 80 -5.610 -4.290 -17.019 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -5.175 -5.816 -15.014 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.797 -6.444 -15.224 1.00 0.00 H new ATOM 1316 N LYS A 81 -8.811 -4.809 -16.508 1.00 0.00 N ATOM 1317 CA LYS A 81 -10.099 -4.954 -17.158 1.00 0.00 C ATOM 1318 C LYS A 81 -10.564 -3.623 -17.762 1.00 0.00 C ATOM 1319 O LYS A 81 -11.502 -3.583 -18.555 1.00 0.00 O ATOM 1320 CB LYS A 81 -11.127 -5.469 -16.149 1.00 0.00 C ATOM 1321 CG LYS A 81 -12.293 -6.218 -16.773 1.00 0.00 C ATOM 1322 CD LYS A 81 -11.810 -7.383 -17.633 1.00 0.00 C ATOM 1323 CE LYS A 81 -10.867 -8.313 -16.869 1.00 0.00 C ATOM 1324 NZ LYS A 81 -11.501 -8.907 -15.665 1.00 0.00 N ATOM 0 H LYS A 81 -8.866 -4.684 -15.497 1.00 0.00 H new ATOM 0 HA LYS A 81 -10.000 -5.673 -17.971 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -10.625 -6.127 -15.440 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -11.515 -4.624 -15.580 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -12.950 -6.591 -15.987 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -12.883 -5.534 -17.383 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -12.670 -7.952 -17.988 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -11.299 -6.995 -18.514 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -10.535 -9.112 -17.532 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -9.978 -7.757 -16.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -10.830 -8.882 -14.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -12.352 -8.363 -15.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -11.766 -9.893 -15.863 1.00 0.00 H new ATOM 1338 N GLY A 82 -9.903 -2.544 -17.378 1.00 0.00 N ATOM 1339 CA GLY A 82 -10.237 -1.234 -17.904 1.00 0.00 C ATOM 1340 C GLY A 82 -11.555 -0.702 -17.374 1.00 0.00 C ATOM 1341 O GLY A 82 -12.262 0.029 -18.072 1.00 0.00 O ATOM 0 H GLY A 82 -9.135 -2.550 -16.707 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -9.441 -0.533 -17.652 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -10.283 -1.286 -18.992 1.00 0.00 H new ATOM 1345 N ASP A 83 -11.899 -1.074 -16.158 1.00 0.00 N ATOM 1346 CA ASP A 83 -13.131 -0.599 -15.548 1.00 0.00 C ATOM 1347 C ASP A 83 -12.842 0.488 -14.534 1.00 0.00 C ATOM 1348 O ASP A 83 -12.481 0.205 -13.391 1.00 0.00 O ATOM 1349 CB ASP A 83 -13.919 -1.732 -14.897 1.00 0.00 C ATOM 1350 CG ASP A 83 -15.211 -1.234 -14.280 1.00 0.00 C ATOM 1351 OD1 ASP A 83 -16.175 -0.981 -15.031 1.00 0.00 O ATOM 1352 OD2 ASP A 83 -15.265 -1.087 -13.045 1.00 0.00 O1- ATOM 0 H ASP A 83 -11.348 -1.701 -15.572 1.00 0.00 H new ATOM 0 HA ASP A 83 -13.746 -0.185 -16.347 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -14.142 -2.495 -15.643 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -13.308 -2.206 -14.129 1.00 0.00 H new ATOM 1357 N LYS A 84 -12.976 1.733 -14.957 1.00 0.00 N ATOM 1358 CA LYS A 84 -12.705 2.864 -14.084 1.00 0.00 C ATOM 1359 C LYS A 84 -13.741 2.965 -12.970 1.00 0.00 C ATOM 1360 O LYS A 84 -13.454 3.497 -11.909 1.00 0.00 O ATOM 1361 CB LYS A 84 -12.656 4.181 -14.870 1.00 0.00 C ATOM 1362 CG LYS A 84 -14.015 4.670 -15.350 1.00 0.00 C ATOM 1363 CD LYS A 84 -13.940 6.099 -15.853 1.00 0.00 C ATOM 1364 CE LYS A 84 -15.323 6.671 -16.118 1.00 0.00 C ATOM 1365 NZ LYS A 84 -16.187 6.620 -14.907 1.00 0.00 N ATOM 0 H LYS A 84 -13.271 1.987 -15.900 1.00 0.00 H new ATOM 0 HA LYS A 84 -11.726 2.692 -13.636 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -12.206 4.950 -14.242 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -12.003 4.052 -15.733 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -14.377 4.020 -16.147 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -14.736 4.606 -14.535 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -13.424 6.717 -15.118 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -13.350 6.133 -16.769 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -15.230 7.704 -16.454 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -15.797 6.114 -16.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -16.864 7.409 -14.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -16.706 5.719 -14.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -15.595 6.697 -14.055 1.00 0.00 H new ATOM 1379 N ASP A 85 -14.939 2.433 -13.215 1.00 0.00 N ATOM 1380 CA ASP A 85 -16.041 2.526 -12.250 1.00 0.00 C ATOM 1381 C ASP A 85 -15.651 1.919 -10.911 1.00 0.00 C ATOM 1382 O ASP A 85 -15.839 2.540 -9.863 1.00 0.00 O ATOM 1383 CB ASP A 85 -17.297 1.843 -12.801 1.00 0.00 C ATOM 1384 CG ASP A 85 -18.476 1.910 -11.847 1.00 0.00 C ATOM 1385 OD1 ASP A 85 -18.955 3.031 -11.560 1.00 0.00 O ATOM 1386 OD2 ASP A 85 -18.950 0.843 -11.408 1.00 0.00 O1- ATOM 0 H ASP A 85 -15.173 1.933 -14.073 1.00 0.00 H new ATOM 0 HA ASP A 85 -16.259 3.582 -12.091 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -17.574 2.312 -13.745 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -17.071 0.799 -13.017 1.00 0.00 H new ATOM 1391 N SER A 86 -15.096 0.722 -10.941 1.00 0.00 N ATOM 1392 CA SER A 86 -14.630 0.093 -9.724 1.00 0.00 C ATOM 1393 C SER A 86 -13.378 0.800 -9.198 1.00 0.00 C ATOM 1394 O SER A 86 -13.213 0.966 -7.997 1.00 0.00 O ATOM 1395 CB SER A 86 -14.369 -1.405 -9.943 1.00 0.00 C ATOM 1396 OG SER A 86 -13.611 -1.634 -11.123 1.00 0.00 O ATOM 0 H SER A 86 -14.958 0.171 -11.788 1.00 0.00 H new ATOM 0 HA SER A 86 -15.413 0.185 -8.971 1.00 0.00 H new ATOM 0 HB2 SER A 86 -13.838 -1.812 -9.083 1.00 0.00 H new ATOM 0 HB3 SER A 86 -15.319 -1.935 -10.011 1.00 0.00 H new ATOM 0 HG SER A 86 -14.217 -1.813 -11.872 1.00 0.00 H new ATOM 1402 N LEU A 87 -12.525 1.253 -10.119 1.00 0.00 N ATOM 1403 CA LEU A 87 -11.273 1.933 -9.767 1.00 0.00 C ATOM 1404 C LEU A 87 -11.514 3.192 -8.943 1.00 0.00 C ATOM 1405 O LEU A 87 -10.829 3.429 -7.948 1.00 0.00 O ATOM 1406 CB LEU A 87 -10.483 2.282 -11.030 1.00 0.00 C ATOM 1407 CG LEU A 87 -9.858 1.098 -11.758 1.00 0.00 C ATOM 1408 CD1 LEU A 87 -9.257 1.528 -13.083 1.00 0.00 C ATOM 1409 CD2 LEU A 87 -8.801 0.462 -10.891 1.00 0.00 C ATOM 0 H LEU A 87 -12.679 1.161 -11.123 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.694 1.242 -9.154 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -11.146 2.803 -11.721 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -9.691 2.981 -10.761 1.00 0.00 H new ATOM 0 HG LEU A 87 -10.642 0.369 -11.963 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -8.818 0.663 -13.581 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -10.036 1.954 -13.715 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -8.484 2.276 -12.906 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -8.359 -0.384 -11.418 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -8.026 1.195 -10.665 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -9.253 0.114 -9.962 1.00 0.00 H new ATOM 1421 N GLU A 88 -12.490 3.986 -9.352 1.00 0.00 N ATOM 1422 CA GLU A 88 -12.825 5.223 -8.655 1.00 0.00 C ATOM 1423 C GLU A 88 -13.189 4.933 -7.204 1.00 0.00 C ATOM 1424 O GLU A 88 -12.728 5.613 -6.284 1.00 0.00 O ATOM 1425 CB GLU A 88 -13.995 5.912 -9.356 1.00 0.00 C ATOM 1426 CG GLU A 88 -13.723 6.252 -10.811 1.00 0.00 C ATOM 1427 CD GLU A 88 -14.973 6.648 -11.567 1.00 0.00 C ATOM 1428 OE1 GLU A 88 -16.086 6.307 -11.112 1.00 0.00 O ATOM 1429 OE2 GLU A 88 -14.853 7.291 -12.633 1.00 0.00 O1- ATOM 0 H GLU A 88 -13.070 3.796 -10.169 1.00 0.00 H new ATOM 0 HA GLU A 88 -11.956 5.881 -8.673 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -14.871 5.266 -9.301 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -14.240 6.828 -8.818 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -13.001 7.068 -10.860 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -13.266 5.392 -11.300 1.00 0.00 H new ATOM 1436 N GLN A 89 -14.009 3.918 -7.014 1.00 0.00 N ATOM 1437 CA GLN A 89 -14.447 3.512 -5.690 1.00 0.00 C ATOM 1438 C GLN A 89 -13.296 2.881 -4.906 1.00 0.00 C ATOM 1439 O GLN A 89 -13.136 3.125 -3.707 1.00 0.00 O ATOM 1440 CB GLN A 89 -15.611 2.532 -5.808 1.00 0.00 C ATOM 1441 CG GLN A 89 -16.736 3.040 -6.695 1.00 0.00 C ATOM 1442 CD GLN A 89 -17.885 2.065 -6.808 1.00 0.00 C ATOM 1443 OE1 GLN A 89 -18.180 1.324 -5.870 1.00 0.00 O ATOM 1444 NE2 GLN A 89 -18.529 2.049 -7.957 1.00 0.00 N ATOM 0 H GLN A 89 -14.391 3.351 -7.771 1.00 0.00 H new ATOM 0 HA GLN A 89 -14.780 4.397 -5.147 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -15.242 1.587 -6.206 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -16.006 2.326 -4.813 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -17.106 3.985 -6.297 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -16.342 3.246 -7.690 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -18.250 2.681 -8.707 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -19.307 1.404 -8.097 1.00 0.00 H new ATOM 1453 N LEU A 90 -12.493 2.078 -5.596 1.00 0.00 N ATOM 1454 CA LEU A 90 -11.355 1.406 -4.982 1.00 0.00 C ATOM 1455 C LEU A 90 -10.326 2.400 -4.473 1.00 0.00 C ATOM 1456 O LEU A 90 -9.728 2.181 -3.437 1.00 0.00 O ATOM 1457 CB LEU A 90 -10.699 0.421 -5.958 1.00 0.00 C ATOM 1458 CG LEU A 90 -11.537 -0.805 -6.334 1.00 0.00 C ATOM 1459 CD1 LEU A 90 -10.811 -1.648 -7.368 1.00 0.00 C ATOM 1460 CD2 LEU A 90 -11.859 -1.637 -5.100 1.00 0.00 C ATOM 0 H LEU A 90 -12.612 1.876 -6.589 1.00 0.00 H new ATOM 0 HA LEU A 90 -11.738 0.847 -4.129 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -10.446 0.959 -6.872 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -9.762 0.076 -5.521 1.00 0.00 H new ATOM 0 HG LEU A 90 -12.475 -0.458 -6.767 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -11.420 -2.515 -7.624 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -10.633 -1.052 -8.263 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -9.857 -1.983 -6.960 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -12.455 -2.503 -5.390 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -10.932 -1.974 -4.636 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -12.421 -1.031 -4.389 1.00 0.00 H new ATOM 1472 N LEU A 91 -10.140 3.500 -5.198 1.00 0.00 N ATOM 1473 CA LEU A 91 -9.162 4.525 -4.810 1.00 0.00 C ATOM 1474 C LEU A 91 -9.460 5.082 -3.422 1.00 0.00 C ATOM 1475 O LEU A 91 -8.543 5.360 -2.644 1.00 0.00 O ATOM 1476 CB LEU A 91 -9.144 5.670 -5.830 1.00 0.00 C ATOM 1477 CG LEU A 91 -8.494 5.359 -7.179 1.00 0.00 C ATOM 1478 CD1 LEU A 91 -8.739 6.493 -8.160 1.00 0.00 C ATOM 1479 CD2 LEU A 91 -7.000 5.127 -7.008 1.00 0.00 C ATOM 0 H LEU A 91 -10.650 3.709 -6.056 1.00 0.00 H new ATOM 0 HA LEU A 91 -8.182 4.047 -4.788 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -10.172 5.986 -6.009 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -8.623 6.518 -5.385 1.00 0.00 H new ATOM 0 HG LEU A 91 -8.945 4.450 -7.577 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -8.270 6.256 -9.115 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -9.811 6.623 -8.305 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -8.312 7.415 -7.765 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -6.553 4.907 -7.977 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -6.538 6.022 -6.590 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -6.837 4.286 -6.334 1.00 0.00 H new ATOM 1491 N GLU A 92 -10.737 5.227 -3.110 1.00 0.00 N ATOM 1492 CA GLU A 92 -11.141 5.762 -1.824 1.00 0.00 C ATOM 1493 C GLU A 92 -10.839 4.777 -0.703 1.00 0.00 C ATOM 1494 O GLU A 92 -10.287 5.154 0.335 1.00 0.00 O ATOM 1495 CB GLU A 92 -12.625 6.111 -1.835 1.00 0.00 C ATOM 1496 CG GLU A 92 -12.986 7.199 -2.829 1.00 0.00 C ATOM 1497 CD GLU A 92 -14.464 7.503 -2.846 1.00 0.00 C ATOM 1498 OE1 GLU A 92 -14.940 8.234 -1.948 1.00 0.00 O ATOM 1499 OE2 GLU A 92 -15.161 7.023 -3.761 1.00 0.00 O1- ATOM 0 H GLU A 92 -11.509 4.982 -3.729 1.00 0.00 H new ATOM 0 HA GLU A 92 -10.568 6.671 -1.642 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -13.199 5.214 -2.067 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -12.922 6.430 -0.836 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -12.435 8.107 -2.584 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -12.670 6.894 -3.827 1.00 0.00 H new ATOM 1506 N GLU A 93 -11.177 3.517 -0.925 1.00 0.00 N ATOM 1507 CA GLU A 93 -10.933 2.473 0.062 1.00 0.00 C ATOM 1508 C GLU A 93 -9.444 2.192 0.178 1.00 0.00 C ATOM 1509 O GLU A 93 -8.926 1.931 1.263 1.00 0.00 O ATOM 1510 CB GLU A 93 -11.673 1.193 -0.328 1.00 0.00 C ATOM 1511 CG GLU A 93 -13.167 1.386 -0.539 1.00 0.00 C ATOM 1512 CD GLU A 93 -13.864 1.944 0.682 1.00 0.00 C ATOM 1513 OE1 GLU A 93 -14.114 1.175 1.634 1.00 0.00 O ATOM 1514 OE2 GLU A 93 -14.182 3.146 0.695 1.00 0.00 O1- ATOM 0 H GLU A 93 -11.623 3.190 -1.782 1.00 0.00 H new ATOM 0 HA GLU A 93 -11.303 2.818 1.027 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -11.235 0.796 -1.244 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -11.519 0.445 0.449 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -13.326 2.059 -1.382 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -13.618 0.430 -0.804 1.00 0.00 H new ATOM 1521 N LEU A 94 -8.765 2.270 -0.952 1.00 0.00 N ATOM 1522 CA LEU A 94 -7.345 2.007 -1.029 1.00 0.00 C ATOM 1523 C LEU A 94 -6.565 2.992 -0.169 1.00 0.00 C ATOM 1524 O LEU A 94 -5.690 2.595 0.586 1.00 0.00 O ATOM 1525 CB LEU A 94 -6.882 2.094 -2.487 1.00 0.00 C ATOM 1526 CG LEU A 94 -5.448 1.661 -2.778 1.00 0.00 C ATOM 1527 CD1 LEU A 94 -5.254 0.189 -2.447 1.00 0.00 C ATOM 1528 CD2 LEU A 94 -5.108 1.928 -4.235 1.00 0.00 C ATOM 0 H LEU A 94 -9.189 2.519 -1.846 1.00 0.00 H new ATOM 0 HA LEU A 94 -7.155 1.003 -0.651 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -7.551 1.484 -3.093 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -7.000 3.125 -2.821 1.00 0.00 H new ATOM 0 HG LEU A 94 -4.775 2.243 -2.148 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -4.225 -0.100 -2.662 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.465 0.023 -1.391 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.933 -0.412 -3.051 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.083 1.616 -4.432 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.788 1.367 -4.876 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -5.209 2.993 -4.443 1.00 0.00 H new ATOM 1540 N GLU A 95 -6.909 4.279 -0.264 1.00 0.00 N ATOM 1541 CA GLU A 95 -6.220 5.305 0.516 1.00 0.00 C ATOM 1542 C GLU A 95 -6.343 5.023 2.010 1.00 0.00 C ATOM 1543 O GLU A 95 -5.373 5.164 2.763 1.00 0.00 O ATOM 1544 CB GLU A 95 -6.763 6.699 0.198 1.00 0.00 C ATOM 1545 CG GLU A 95 -6.025 7.813 0.927 1.00 0.00 C ATOM 1546 CD GLU A 95 -6.527 9.187 0.562 1.00 0.00 C ATOM 1547 OE1 GLU A 95 -6.149 9.692 -0.512 1.00 0.00 O ATOM 1548 OE2 GLU A 95 -7.285 9.779 1.353 1.00 0.00 O1- ATOM 0 H GLU A 95 -7.653 4.631 -0.867 1.00 0.00 H new ATOM 0 HA GLU A 95 -5.166 5.277 0.240 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -6.697 6.871 -0.876 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -7.820 6.739 0.462 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -6.129 7.668 2.002 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -4.961 7.748 0.698 1.00 0.00 H new ATOM 1555 N GLN A 96 -7.531 4.602 2.428 1.00 0.00 N ATOM 1556 CA GLN A 96 -7.779 4.275 3.824 1.00 0.00 C ATOM 1557 C GLN A 96 -6.924 3.094 4.253 1.00 0.00 C ATOM 1558 O GLN A 96 -6.438 3.046 5.382 1.00 0.00 O ATOM 1559 CB GLN A 96 -9.259 3.975 4.058 1.00 0.00 C ATOM 1560 CG GLN A 96 -10.169 5.171 3.833 1.00 0.00 C ATOM 1561 CD GLN A 96 -9.837 6.341 4.742 1.00 0.00 C ATOM 1562 OE1 GLN A 96 -9.352 6.159 5.858 1.00 0.00 O ATOM 1563 NE2 GLN A 96 -10.099 7.544 4.273 1.00 0.00 N ATOM 0 H GLN A 96 -8.339 4.479 1.817 1.00 0.00 H new ATOM 0 HA GLN A 96 -7.507 5.140 4.429 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -9.566 3.167 3.394 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -9.391 3.617 5.079 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -10.091 5.491 2.794 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -11.204 4.871 3.998 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -10.501 7.652 3.342 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -9.899 8.367 4.841 1.00 0.00 H new ATOM 1572 N ALA A 97 -6.731 2.152 3.338 1.00 0.00 N ATOM 1573 CA ALA A 97 -5.916 0.979 3.605 1.00 0.00 C ATOM 1574 C ALA A 97 -4.476 1.380 3.916 1.00 0.00 C ATOM 1575 O ALA A 97 -3.872 0.858 4.852 1.00 0.00 O ATOM 1576 CB ALA A 97 -5.963 0.018 2.431 1.00 0.00 C ATOM 0 H ALA A 97 -7.131 2.181 2.400 1.00 0.00 H new ATOM 0 HA ALA A 97 -6.324 0.472 4.480 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -5.347 -0.854 2.650 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -6.992 -0.298 2.261 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -5.584 0.515 1.538 1.00 0.00 H new ATOM 1582 N LEU A 98 -3.928 2.321 3.138 1.00 0.00 N ATOM 1583 CA LEU A 98 -2.575 2.811 3.388 1.00 0.00 C ATOM 1584 C LEU A 98 -2.488 3.498 4.736 1.00 0.00 C ATOM 1585 O LEU A 98 -1.484 3.378 5.440 1.00 0.00 O ATOM 1586 CB LEU A 98 -2.097 3.764 2.286 1.00 0.00 C ATOM 1587 CG LEU A 98 -1.628 3.119 0.980 1.00 0.00 C ATOM 1588 CD1 LEU A 98 -0.637 2.005 1.258 1.00 0.00 C ATOM 1589 CD2 LEU A 98 -2.793 2.608 0.162 1.00 0.00 C ATOM 0 H LEU A 98 -4.397 2.751 2.341 1.00 0.00 H new ATOM 0 HA LEU A 98 -1.919 1.941 3.388 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -2.910 4.452 2.054 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -1.277 4.362 2.684 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.127 3.889 0.393 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.316 1.560 0.316 1.00 0.00 H new ATOM 0 HD12 LEU A 98 0.229 2.411 1.781 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -1.111 1.243 1.877 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -2.421 2.157 -0.758 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -3.341 1.862 0.737 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -3.457 3.437 -0.083 1.00 0.00 H new ATOM 1601 N GLN A 99 -3.542 4.216 5.098 1.00 0.00 N ATOM 1602 CA GLN A 99 -3.590 4.885 6.387 1.00 0.00 C ATOM 1603 C GLN A 99 -3.582 3.853 7.500 1.00 0.00 C ATOM 1604 O GLN A 99 -2.892 4.015 8.506 1.00 0.00 O ATOM 1605 CB GLN A 99 -4.834 5.768 6.502 1.00 0.00 C ATOM 1606 CG GLN A 99 -4.932 6.846 5.435 1.00 0.00 C ATOM 1607 CD GLN A 99 -3.697 7.724 5.371 1.00 0.00 C ATOM 1608 OE1 GLN A 99 -3.002 7.925 6.372 1.00 0.00 O ATOM 1609 NE2 GLN A 99 -3.418 8.254 4.196 1.00 0.00 N ATOM 0 H GLN A 99 -4.371 4.349 4.519 1.00 0.00 H new ATOM 0 HA GLN A 99 -2.711 5.524 6.476 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -5.721 5.136 6.447 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -4.840 6.242 7.484 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -5.089 6.376 4.464 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -5.805 7.468 5.633 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -4.019 8.062 3.394 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -2.601 8.856 4.089 1.00 0.00 H new ATOM 1618 N LYS A 100 -4.344 2.788 7.293 1.00 0.00 N ATOM 1619 CA LYS A 100 -4.433 1.684 8.236 1.00 0.00 C ATOM 1620 C LYS A 100 -3.070 1.014 8.402 1.00 0.00 C ATOM 1621 O LYS A 100 -2.641 0.723 9.518 1.00 0.00 O ATOM 1622 CB LYS A 100 -5.467 0.672 7.734 1.00 0.00 C ATOM 1623 CG LYS A 100 -5.711 -0.504 8.661 1.00 0.00 C ATOM 1624 CD LYS A 100 -6.780 -1.421 8.092 1.00 0.00 C ATOM 1625 CE LYS A 100 -7.075 -2.584 9.020 1.00 0.00 C ATOM 1626 NZ LYS A 100 -5.920 -3.504 9.150 1.00 0.00 N ATOM 0 H LYS A 100 -4.921 2.666 6.461 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.745 2.066 9.208 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -6.412 1.190 7.571 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -5.141 0.292 6.766 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -4.785 -1.061 8.803 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -6.019 -0.143 9.642 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -7.694 -0.852 7.920 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -6.455 -1.802 7.124 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -7.345 -2.202 10.004 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -7.937 -3.136 8.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -6.200 -4.458 8.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -5.138 -3.165 8.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -5.611 -3.535 10.143 1.00 0.00 H new ATOM 1640 N ILE A 101 -2.394 0.783 7.280 1.00 0.00 N ATOM 1641 CA ILE A 101 -1.064 0.186 7.290 1.00 0.00 C ATOM 1642 C ILE A 101 -0.085 1.084 8.040 1.00 0.00 C ATOM 1643 O ILE A 101 0.682 0.615 8.884 1.00 0.00 O ATOM 1644 CB ILE A 101 -0.542 -0.057 5.851 1.00 0.00 C ATOM 1645 CG1 ILE A 101 -1.427 -1.075 5.129 1.00 0.00 C ATOM 1646 CG2 ILE A 101 0.910 -0.527 5.869 1.00 0.00 C ATOM 1647 CD1 ILE A 101 -1.034 -1.308 3.688 1.00 0.00 C ATOM 0 H ILE A 101 -2.748 1.002 6.349 1.00 0.00 H new ATOM 0 HA ILE A 101 -1.140 -0.776 7.797 1.00 0.00 H new ATOM 0 HB ILE A 101 -0.584 0.888 5.309 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -1.387 -2.023 5.665 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -2.461 -0.733 5.164 1.00 0.00 H new ATOM 0 HG21 ILE A 101 1.252 -0.690 4.847 1.00 0.00 H new ATOM 0 HG22 ILE A 101 1.532 0.232 6.343 1.00 0.00 H new ATOM 0 HG23 ILE A 101 0.984 -1.459 6.430 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -1.706 -2.041 3.242 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -1.102 -0.370 3.136 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -0.011 -1.681 3.646 1.00 0.00 H new ATOM 1659 N ARG A 102 -0.133 2.380 7.744 1.00 0.00 N ATOM 1660 CA ARG A 102 0.742 3.339 8.398 1.00 0.00 C ATOM 1661 C ARG A 102 0.499 3.356 9.907 1.00 0.00 C ATOM 1662 O ARG A 102 1.437 3.487 10.690 1.00 0.00 O ATOM 1663 CB ARG A 102 0.562 4.745 7.813 1.00 0.00 C ATOM 1664 CG ARG A 102 1.464 5.774 8.468 1.00 0.00 C ATOM 1665 CD ARG A 102 1.249 7.173 7.921 1.00 0.00 C ATOM 1666 NE ARG A 102 2.005 8.153 8.699 1.00 0.00 N ATOM 1667 CZ ARG A 102 2.429 9.331 8.249 1.00 0.00 C ATOM 1668 NH1 ARG A 102 2.135 9.732 7.015 1.00 0.00 N ATOM 1669 NH2 ARG A 102 3.137 10.114 9.049 1.00 0.00 N ATOM 0 H ARG A 102 -0.768 2.786 7.057 1.00 0.00 H new ATOM 0 HA ARG A 102 1.770 3.025 8.216 1.00 0.00 H new ATOM 0 HB2 ARG A 102 0.767 4.717 6.743 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -0.477 5.052 7.930 1.00 0.00 H new ATOM 0 HG2 ARG A 102 1.284 5.777 9.543 1.00 0.00 H new ATOM 0 HG3 ARG A 102 2.505 5.486 8.320 1.00 0.00 H new ATOM 0 HD2 ARG A 102 1.559 7.212 6.877 1.00 0.00 H new ATOM 0 HD3 ARG A 102 0.188 7.420 7.948 1.00 0.00 H new ATOM 0 HE ARG A 102 2.225 7.914 9.666 1.00 0.00 H new ATOM 0 HH11 ARG A 102 1.579 9.134 6.403 1.00 0.00 H new ATOM 0 HH12 ARG A 102 2.465 10.637 6.681 1.00 0.00 H new ATOM 0 HH21 ARG A 102 3.352 9.812 9.999 1.00 0.00 H new ATOM 0 HH22 ARG A 102 3.467 11.019 8.715 1.00 0.00 H new ATOM 1683 N GLU A 103 -0.763 3.193 10.308 1.00 0.00 N ATOM 1684 CA GLU A 103 -1.115 3.169 11.724 1.00 0.00 C ATOM 1685 C GLU A 103 -0.406 2.030 12.434 1.00 0.00 C ATOM 1686 O GLU A 103 0.078 2.189 13.549 1.00 0.00 O ATOM 1687 CB GLU A 103 -2.624 3.014 11.918 1.00 0.00 C ATOM 1688 CG GLU A 103 -3.440 4.244 11.573 1.00 0.00 C ATOM 1689 CD GLU A 103 -4.881 4.097 12.002 1.00 0.00 C ATOM 1690 OE1 GLU A 103 -5.114 3.813 13.196 1.00 0.00 O ATOM 1691 OE2 GLU A 103 -5.787 4.264 11.159 1.00 0.00 O1- ATOM 0 H GLU A 103 -1.553 3.076 9.674 1.00 0.00 H new ATOM 0 HA GLU A 103 -0.798 4.120 12.152 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -2.971 2.182 11.306 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -2.817 2.747 12.957 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -3.004 5.118 12.057 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -3.396 4.420 10.498 1.00 0.00 H new ATOM 1698 N LEU A 104 -0.338 0.889 11.777 1.00 0.00 N ATOM 1699 CA LEU A 104 0.297 -0.286 12.346 1.00 0.00 C ATOM 1700 C LEU A 104 1.804 -0.088 12.468 1.00 0.00 C ATOM 1701 O LEU A 104 2.422 -0.533 13.439 1.00 0.00 O ATOM 1702 CB LEU A 104 -0.002 -1.520 11.489 1.00 0.00 C ATOM 1703 CG LEU A 104 -1.484 -1.861 11.307 1.00 0.00 C ATOM 1704 CD1 LEU A 104 -1.646 -3.066 10.393 1.00 0.00 C ATOM 1705 CD2 LEU A 104 -2.143 -2.120 12.654 1.00 0.00 C ATOM 0 H LEU A 104 -0.718 0.749 10.841 1.00 0.00 H new ATOM 0 HA LEU A 104 -0.111 -0.439 13.345 1.00 0.00 H new ATOM 0 HB2 LEU A 104 0.441 -1.371 10.504 1.00 0.00 H new ATOM 0 HB3 LEU A 104 0.497 -2.380 11.936 1.00 0.00 H new ATOM 0 HG LEU A 104 -1.978 -1.008 10.842 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -2.705 -3.294 10.275 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -1.212 -2.844 9.418 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -1.137 -3.925 10.830 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -3.195 -2.361 12.504 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -1.647 -2.956 13.147 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -2.060 -1.230 13.277 1.00 0.00 H new ATOM 1717 N ALA A 105 2.388 0.578 11.483 1.00 0.00 N ATOM 1718 CA ALA A 105 3.823 0.817 11.473 1.00 0.00 C ATOM 1719 C ALA A 105 4.233 1.889 12.485 1.00 0.00 C ATOM 1720 O ALA A 105 5.326 1.835 13.041 1.00 0.00 O ATOM 1721 CB ALA A 105 4.279 1.205 10.075 1.00 0.00 C ATOM 0 H ALA A 105 1.890 0.963 10.680 1.00 0.00 H new ATOM 0 HA ALA A 105 4.314 -0.111 11.767 1.00 0.00 H new ATOM 0 HB1 ALA A 105 5.355 1.382 10.079 1.00 0.00 H new ATOM 0 HB2 ALA A 105 4.046 0.399 9.379 1.00 0.00 H new ATOM 0 HB3 ALA A 105 3.763 2.113 9.763 1.00 0.00 H new ATOM 1727 N GLU A 106 3.343 2.838 12.751 1.00 0.00 N ATOM 1728 CA GLU A 106 3.650 3.919 13.689 1.00 0.00 C ATOM 1729 C GLU A 106 3.227 3.565 15.108 1.00 0.00 C ATOM 1730 O GLU A 106 3.745 4.120 16.075 1.00 0.00 O ATOM 1731 CB GLU A 106 2.972 5.227 13.260 1.00 0.00 C ATOM 1732 CG GLU A 106 3.435 5.760 11.913 1.00 0.00 C ATOM 1733 CD GLU A 106 2.739 7.051 11.531 1.00 0.00 C ATOM 1734 OE1 GLU A 106 1.502 7.057 11.431 1.00 0.00 O ATOM 1735 OE2 GLU A 106 3.427 8.067 11.305 1.00 0.00 O1- ATOM 0 H GLU A 106 2.412 2.884 12.337 1.00 0.00 H new ATOM 0 HA GLU A 106 4.731 4.057 13.675 1.00 0.00 H new ATOM 0 HB2 GLU A 106 1.894 5.069 13.224 1.00 0.00 H new ATOM 0 HB3 GLU A 106 3.158 5.985 14.021 1.00 0.00 H new ATOM 0 HG2 GLU A 106 4.512 5.926 11.942 1.00 0.00 H new ATOM 0 HG3 GLU A 106 3.249 5.009 11.145 1.00 0.00 H new ATOM 1742 N LYS A 107 2.293 2.644 15.235 1.00 0.00 N ATOM 1743 CA LYS A 107 1.804 2.242 16.540 1.00 0.00 C ATOM 1744 C LYS A 107 2.002 0.755 16.756 1.00 0.00 C ATOM 1745 O LYS A 107 1.212 -0.068 16.279 1.00 0.00 O ATOM 1746 CB LYS A 107 0.325 2.607 16.700 1.00 0.00 C ATOM 1747 CG LYS A 107 0.044 4.101 16.603 1.00 0.00 C ATOM 1748 CD LYS A 107 -1.450 4.399 16.632 1.00 0.00 C ATOM 1749 CE LYS A 107 -2.166 3.797 15.431 1.00 0.00 C ATOM 1750 NZ LYS A 107 -3.597 4.183 15.389 1.00 0.00 N ATOM 0 H LYS A 107 1.857 2.159 14.451 1.00 0.00 H new ATOM 0 HA LYS A 107 2.379 2.780 17.294 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -0.252 2.088 15.934 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -0.027 2.243 17.665 1.00 0.00 H new ATOM 0 HG2 LYS A 107 0.534 4.617 17.429 1.00 0.00 H new ATOM 0 HG3 LYS A 107 0.475 4.493 15.682 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -1.883 4.002 17.550 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -1.606 5.478 16.646 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -1.675 4.124 14.514 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -2.084 2.711 15.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -3.941 4.136 14.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -4.150 3.531 15.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -3.706 5.153 15.747 1.00 0.00 H new