USER MOD reduce.3.24.130724 H: found=0, std=0, add=823, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 825 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 Single : A 15 CYS SG : rot -73:sc= 0.00843 USER MOD Single : A 16 CYS SG : rot 180:sc= 0.0777 USER MOD Single : A 19 LYS NZ :NH3+ 148:sc= 1.93 (180deg=0.417) USER MOD Single : A 22 ASN : amide:sc= -0.0989 K(o=-0.099,f=-0.99) USER MOD Single : A 24 TYR OH : rot -159:sc= -1.82! USER MOD Single : A 27 HIS : no HE2:sc= -1.94! X(o=-1.9!,f=-2) USER MOD Single : A 29 HIS : no HE2:sc= -5.31! C(o=-5.3!,f=-7.7!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -137:sc= -0.0579 (180deg=-0.451) USER MOD Single : A 37 GLN : amide:sc= -0.137 K(o=-0.14,f=-4) USER MOD Single : A 38 TYR OH : rot 180:sc= 0.524 USER MOD Single : A 46 SER OG : rot -62:sc= 1.12 USER MOD Single : A 50 LYS NZ :NH3+ 174:sc= 1.3 (180deg=1.18) USER MOD Single : A 63 ASN :FLIP amide:sc= -0.481 F(o=-3.8!,f=-0.48) USER MOD Single : A 66 ASN :FLIP amide:sc= -1.62 F(o=-2.6!,f=-1.6) USER MOD Single : A 69 LYS NZ :NH3+ -107:sc= -1.67! (180deg=-4.86!) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.319 USER MOD Single : A 72 HIS :FLIP no HD1:sc= -0.0836 F(o=-1.1,f=-0.084) USER MOD Single : A 73 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 74 GLN : amide:sc= 0.0352 X(o=0.035,f=-0.054) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.0073) USER MOD Single : A 95 THR OG1 : rot 54:sc= 0.786 USER MOD Single : A 98 GLN : amide:sc= -2.87! C(o=-2.9!,f=-4.3!) USER MOD Single : A 100 GLN : amide:sc= 1.19 K(o=1.2,f=-0.76) USER MOD Single : A 101 LYS NZ :NH3+ -178:sc= 0.363 (180deg=0.358) USER MOD Single : A 105 GLN : amide:sc= -0.241 K(o=-0.24,f=-1.1) USER MOD Single : B 3 THR OG1 : rot 39:sc= 0.247 USER MOD ----------------------------------------------------------------- ATOM 106 N LEU A 11 -10.944 -5.959 -3.464 1.00 0.00 N ATOM 107 CA LEU A 11 -9.714 -5.364 -3.990 1.00 0.00 C ATOM 108 C LEU A 11 -9.803 -3.836 -4.063 1.00 0.00 C ATOM 109 O LEU A 11 -9.906 -3.265 -5.151 1.00 0.00 O ATOM 110 CB LEU A 11 -9.387 -5.942 -5.379 1.00 0.00 C ATOM 111 CG LEU A 11 -8.895 -7.401 -5.409 1.00 0.00 C ATOM 112 CD1 LEU A 11 -7.681 -7.574 -4.510 1.00 0.00 C ATOM 113 CD2 LEU A 11 -9.999 -8.373 -5.013 1.00 0.00 C ATOM 0 HA LEU A 11 -8.910 -5.616 -3.298 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -10.280 -5.869 -6.000 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -8.625 -5.314 -5.841 1.00 0.00 H new ATOM 0 HG LEU A 11 -8.606 -7.631 -6.434 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -7.348 -8.611 -4.544 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -6.877 -6.923 -4.855 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -7.946 -7.312 -3.486 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -9.615 -9.393 -5.046 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -10.339 -8.145 -4.003 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -10.834 -8.277 -5.707 1.00 0.00 H new ATOM 125 N PRO A 12 -9.766 -3.154 -2.907 1.00 0.00 N ATOM 126 CA PRO A 12 -9.787 -1.693 -2.861 1.00 0.00 C ATOM 127 C PRO A 12 -8.495 -1.113 -3.422 1.00 0.00 C ATOM 128 O PRO A 12 -7.432 -1.725 -3.310 1.00 0.00 O ATOM 129 CB PRO A 12 -9.932 -1.366 -1.366 1.00 0.00 C ATOM 130 CG PRO A 12 -10.270 -2.660 -0.701 1.00 0.00 C ATOM 131 CD PRO A 12 -9.686 -3.738 -1.564 1.00 0.00 C ATOM 0 HA PRO A 12 -10.592 -1.268 -3.461 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -9.008 -0.949 -0.965 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -10.714 -0.625 -1.201 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -9.855 -2.700 0.306 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -11.349 -2.779 -0.606 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -8.658 -3.969 -1.283 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -10.253 -4.666 -1.492 1.00 0.00 H new ATOM 139 N ARG A 13 -8.580 0.063 -4.021 1.00 0.00 N ATOM 140 CA ARG A 13 -7.430 0.642 -4.695 1.00 0.00 C ATOM 141 C ARG A 13 -6.637 1.544 -3.758 1.00 0.00 C ATOM 142 O ARG A 13 -7.191 2.443 -3.122 1.00 0.00 O ATOM 143 CB ARG A 13 -7.850 1.410 -5.963 1.00 0.00 C ATOM 144 CG ARG A 13 -9.104 2.270 -5.814 1.00 0.00 C ATOM 145 CD ARG A 13 -10.377 1.447 -5.980 1.00 0.00 C ATOM 146 NE ARG A 13 -11.594 2.249 -5.839 1.00 0.00 N ATOM 147 CZ ARG A 13 -12.806 1.834 -6.207 1.00 0.00 C ATOM 148 NH1 ARG A 13 -12.969 0.617 -6.714 1.00 0.00 N ATOM 149 NH2 ARG A 13 -13.853 2.632 -6.052 1.00 0.00 N ATOM 0 H ARG A 13 -9.426 0.632 -4.055 1.00 0.00 H new ATOM 0 HA ARG A 13 -6.784 -0.181 -4.999 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.024 2.050 -6.272 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.014 0.692 -6.766 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -9.104 2.746 -4.833 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.088 3.068 -6.556 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -10.372 0.972 -6.961 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -10.386 0.647 -5.239 1.00 0.00 H new ATOM 0 HE ARG A 13 -11.509 3.182 -5.435 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -12.166 -0.002 -6.822 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -13.897 0.302 -6.995 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -13.730 3.562 -5.652 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -14.781 2.316 -6.333 1.00 0.00 H new ATOM 163 N LEU A 14 -5.337 1.287 -3.676 1.00 0.00 N ATOM 164 CA LEU A 14 -4.431 2.110 -2.893 1.00 0.00 C ATOM 165 C LEU A 14 -3.830 3.170 -3.798 1.00 0.00 C ATOM 166 O LEU A 14 -3.042 2.858 -4.693 1.00 0.00 O ATOM 167 CB LEU A 14 -3.322 1.250 -2.277 1.00 0.00 C ATOM 168 CG LEU A 14 -2.301 2.005 -1.421 1.00 0.00 C ATOM 169 CD1 LEU A 14 -2.969 2.612 -0.198 1.00 0.00 C ATOM 170 CD2 LEU A 14 -1.167 1.081 -1.007 1.00 0.00 C ATOM 0 H LEU A 14 -4.885 0.505 -4.149 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.981 2.586 -2.081 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.784 0.477 -1.663 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.791 0.742 -3.082 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.885 2.815 -2.019 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.226 3.144 0.396 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.745 3.308 -0.515 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.415 1.820 0.403 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.451 1.634 -0.399 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.568 0.249 -0.428 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.668 0.696 -1.896 1.00 0.00 H new ATOM 182 N CYS A 15 -4.197 4.415 -3.573 1.00 0.00 N ATOM 183 CA CYS A 15 -3.834 5.476 -4.490 1.00 0.00 C ATOM 184 C CYS A 15 -2.715 6.328 -3.918 1.00 0.00 C ATOM 185 O CYS A 15 -2.874 6.961 -2.876 1.00 0.00 O ATOM 186 CB CYS A 15 -5.057 6.339 -4.798 1.00 0.00 C ATOM 187 SG CYS A 15 -6.468 5.407 -5.435 1.00 0.00 S ATOM 0 H CYS A 15 -4.744 4.716 -2.767 1.00 0.00 H new ATOM 0 HA CYS A 15 -3.475 5.026 -5.415 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -5.359 6.861 -3.890 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -4.778 7.101 -5.526 1.00 0.00 H new ATOM 0 HG CYS A 15 -6.229 5.041 -6.659 1.00 0.00 H new ATOM 193 N CYS A 16 -1.573 6.312 -4.585 1.00 0.00 N ATOM 194 CA CYS A 16 -0.479 7.185 -4.211 1.00 0.00 C ATOM 195 C CYS A 16 -0.611 8.506 -4.954 1.00 0.00 C ATOM 196 O CYS A 16 -0.358 8.592 -6.154 1.00 0.00 O ATOM 197 CB CYS A 16 0.869 6.516 -4.505 1.00 0.00 C ATOM 198 SG CYS A 16 0.973 5.729 -6.130 1.00 0.00 S ATOM 0 H CYS A 16 -1.382 5.707 -5.384 1.00 0.00 H new ATOM 0 HA CYS A 16 -0.522 7.380 -3.139 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.657 7.265 -4.426 1.00 0.00 H new ATOM 0 HB3 CYS A 16 1.064 5.766 -3.738 1.00 0.00 H new ATOM 0 HG CYS A 16 2.150 5.197 -6.280 1.00 0.00 H new ATOM 204 N LEU A 17 -1.017 9.530 -4.227 1.00 0.00 N ATOM 205 CA LEU A 17 -1.270 10.834 -4.813 1.00 0.00 C ATOM 206 C LEU A 17 -0.013 11.689 -4.783 1.00 0.00 C ATOM 207 O LEU A 17 0.729 11.683 -3.801 1.00 0.00 O ATOM 208 CB LEU A 17 -2.404 11.542 -4.064 1.00 0.00 C ATOM 209 CG LEU A 17 -3.750 11.596 -4.788 1.00 0.00 C ATOM 210 CD1 LEU A 17 -3.586 12.231 -6.156 1.00 0.00 C ATOM 211 CD2 LEU A 17 -4.359 10.208 -4.904 1.00 0.00 C ATOM 0 H LEU A 17 -1.180 9.483 -3.221 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.567 10.690 -5.852 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.548 11.042 -3.106 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.089 12.563 -3.847 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.433 12.211 -4.202 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -4.552 12.263 -6.660 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.202 13.245 -6.043 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.886 11.642 -6.749 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -5.316 10.273 -5.422 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.685 9.561 -5.465 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.514 9.794 -3.908 1.00 0.00 H new ATOM 223 N GLU A 18 0.217 12.414 -5.870 1.00 0.00 N ATOM 224 CA GLU A 18 1.379 13.284 -5.987 1.00 0.00 C ATOM 225 C GLU A 18 0.993 14.711 -5.623 1.00 0.00 C ATOM 226 O GLU A 18 0.022 15.248 -6.157 1.00 0.00 O ATOM 227 CB GLU A 18 1.923 13.259 -7.420 1.00 0.00 C ATOM 228 CG GLU A 18 2.015 11.867 -8.025 1.00 0.00 C ATOM 229 CD GLU A 18 2.485 11.888 -9.465 1.00 0.00 C ATOM 230 OE1 GLU A 18 1.882 12.612 -10.287 1.00 0.00 O ATOM 231 OE2 GLU A 18 3.467 11.186 -9.785 1.00 0.00 O ATOM 0 H GLU A 18 -0.391 12.416 -6.689 1.00 0.00 H new ATOM 0 HA GLU A 18 2.150 12.926 -5.305 1.00 0.00 H new ATOM 0 HB2 GLU A 18 1.283 13.876 -8.051 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.914 13.714 -7.429 1.00 0.00 H new ATOM 0 HG2 GLU A 18 2.700 11.262 -7.432 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.038 11.387 -7.972 1.00 0.00 H new ATOM 238 N LYS A 19 1.731 15.314 -4.700 1.00 0.00 N ATOM 239 CA LYS A 19 1.491 16.703 -4.327 1.00 0.00 C ATOM 240 C LYS A 19 1.850 17.619 -5.494 1.00 0.00 C ATOM 241 O LYS A 19 3.025 17.884 -5.752 1.00 0.00 O ATOM 242 CB LYS A 19 2.300 17.070 -3.070 1.00 0.00 C ATOM 243 CG LYS A 19 2.194 18.536 -2.656 1.00 0.00 C ATOM 244 CD LYS A 19 0.779 18.938 -2.254 1.00 0.00 C ATOM 245 CE LYS A 19 0.275 18.193 -1.024 1.00 0.00 C ATOM 246 NZ LYS A 19 1.145 18.392 0.173 1.00 0.00 N ATOM 0 H LYS A 19 2.497 14.866 -4.198 1.00 0.00 H new ATOM 0 HA LYS A 19 0.434 16.833 -4.094 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.964 16.446 -2.242 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.349 16.830 -3.245 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.870 18.723 -1.822 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.525 19.166 -3.481 1.00 0.00 H new ATOM 0 HD2 LYS A 19 0.754 20.010 -2.058 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.103 18.750 -3.088 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -0.736 18.528 -0.792 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.214 17.128 -1.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 0.562 18.365 1.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 1.858 17.636 0.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 1.622 19.314 0.106 1.00 0.00 H new ATOM 260 N GLY A 20 0.828 18.074 -6.207 1.00 0.00 N ATOM 261 CA GLY A 20 1.043 18.880 -7.392 1.00 0.00 C ATOM 262 C GLY A 20 0.984 20.368 -7.109 1.00 0.00 C ATOM 263 O GLY A 20 1.859 20.903 -6.429 1.00 0.00 O ATOM 0 H GLY A 20 -0.151 17.898 -5.984 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.014 18.635 -7.821 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.291 18.627 -8.139 1.00 0.00 H new ATOM 267 N PRO A 21 -0.045 21.062 -7.621 1.00 0.00 N ATOM 268 CA PRO A 21 -0.177 22.518 -7.471 1.00 0.00 C ATOM 269 C PRO A 21 -0.294 22.953 -6.011 1.00 0.00 C ATOM 270 O PRO A 21 0.597 23.605 -5.472 1.00 0.00 O ATOM 271 CB PRO A 21 -1.469 22.852 -8.233 1.00 0.00 C ATOM 272 CG PRO A 21 -2.202 21.558 -8.362 1.00 0.00 C ATOM 273 CD PRO A 21 -1.153 20.482 -8.395 1.00 0.00 C ATOM 0 HA PRO A 21 0.703 23.037 -7.851 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -2.064 23.588 -7.693 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -1.248 23.277 -9.212 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -2.883 21.412 -7.524 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -2.805 21.541 -9.270 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -1.514 19.556 -7.948 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -0.850 20.247 -9.415 1.00 0.00 H new ATOM 281 N ASN A 22 -1.394 22.583 -5.381 1.00 0.00 N ATOM 282 CA ASN A 22 -1.657 22.952 -3.997 1.00 0.00 C ATOM 283 C ASN A 22 -2.292 21.782 -3.264 1.00 0.00 C ATOM 284 O ASN A 22 -2.938 21.954 -2.232 1.00 0.00 O ATOM 285 CB ASN A 22 -2.589 24.169 -3.939 1.00 0.00 C ATOM 286 CG ASN A 22 -3.910 23.925 -4.650 1.00 0.00 C ATOM 287 OD1 ASN A 22 -4.051 24.218 -5.839 1.00 0.00 O ATOM 288 ND2 ASN A 22 -4.877 23.371 -3.939 1.00 0.00 N ATOM 0 H ASN A 22 -2.129 22.021 -5.810 1.00 0.00 H new ATOM 0 HA ASN A 22 -0.713 23.209 -3.516 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -2.783 24.425 -2.897 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -2.090 25.027 -4.390 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -5.779 23.171 -4.372 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -4.722 23.143 -2.957 1.00 0.00 H new ATOM 295 N GLY A 23 -2.065 20.589 -3.786 1.00 0.00 N ATOM 296 CA GLY A 23 -2.783 19.432 -3.314 1.00 0.00 C ATOM 297 C GLY A 23 -2.716 18.292 -4.301 1.00 0.00 C ATOM 298 O GLY A 23 -1.635 17.960 -4.792 1.00 0.00 O ATOM 0 H GLY A 23 -1.393 20.403 -4.531 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.368 19.111 -2.359 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.825 19.698 -3.136 1.00 0.00 H new ATOM 302 N TYR A 24 -3.864 17.711 -4.613 1.00 0.00 N ATOM 303 CA TYR A 24 -3.905 16.497 -5.413 1.00 0.00 C ATOM 304 C TYR A 24 -4.952 16.570 -6.526 1.00 0.00 C ATOM 305 O TYR A 24 -4.951 15.745 -7.435 1.00 0.00 O ATOM 306 CB TYR A 24 -4.152 15.303 -4.496 1.00 0.00 C ATOM 307 CG TYR A 24 -3.111 15.196 -3.406 1.00 0.00 C ATOM 308 CD1 TYR A 24 -1.848 14.705 -3.686 1.00 0.00 C ATOM 309 CD2 TYR A 24 -3.379 15.618 -2.111 1.00 0.00 C ATOM 310 CE1 TYR A 24 -0.877 14.632 -2.712 1.00 0.00 C ATOM 311 CE2 TYR A 24 -2.412 15.544 -1.126 1.00 0.00 C ATOM 312 CZ TYR A 24 -1.161 15.051 -1.437 1.00 0.00 C ATOM 313 OH TYR A 24 -0.186 14.990 -0.471 1.00 0.00 O ATOM 0 H TYR A 24 -4.778 18.060 -4.325 1.00 0.00 H new ATOM 0 HA TYR A 24 -2.943 16.380 -5.911 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -5.140 15.392 -4.045 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.152 14.387 -5.087 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -1.619 14.373 -4.688 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -4.356 16.009 -1.870 1.00 0.00 H new ATOM 0 HE1 TYR A 24 0.103 14.247 -2.951 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -2.634 15.870 -0.120 1.00 0.00 H new ATOM 0 HH TYR A 24 -0.603 14.995 0.416 1.00 0.00 H new ATOM 323 N GLY A 25 -5.853 17.538 -6.441 1.00 0.00 N ATOM 324 CA GLY A 25 -6.736 17.832 -7.550 1.00 0.00 C ATOM 325 C GLY A 25 -8.135 17.259 -7.406 1.00 0.00 C ATOM 326 O GLY A 25 -8.807 17.017 -8.410 1.00 0.00 O ATOM 0 H GLY A 25 -5.988 18.127 -5.620 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.809 18.914 -7.664 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.290 17.445 -8.466 1.00 0.00 H new ATOM 330 N PHE A 26 -8.597 17.040 -6.181 1.00 0.00 N ATOM 331 CA PHE A 26 -9.955 16.555 -5.984 1.00 0.00 C ATOM 332 C PHE A 26 -10.612 17.216 -4.778 1.00 0.00 C ATOM 333 O PHE A 26 -9.938 17.740 -3.896 1.00 0.00 O ATOM 334 CB PHE A 26 -9.980 15.025 -5.856 1.00 0.00 C ATOM 335 CG PHE A 26 -9.130 14.462 -4.751 1.00 0.00 C ATOM 336 CD1 PHE A 26 -7.770 14.261 -4.935 1.00 0.00 C ATOM 337 CD2 PHE A 26 -9.694 14.110 -3.535 1.00 0.00 C ATOM 338 CE1 PHE A 26 -6.993 13.722 -3.929 1.00 0.00 C ATOM 339 CE2 PHE A 26 -8.919 13.574 -2.525 1.00 0.00 C ATOM 340 CZ PHE A 26 -7.567 13.380 -2.723 1.00 0.00 C ATOM 0 H PHE A 26 -8.063 17.187 -5.325 1.00 0.00 H new ATOM 0 HA PHE A 26 -10.534 16.829 -6.866 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -11.010 14.706 -5.699 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -9.653 14.592 -6.801 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -7.313 14.529 -5.876 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -10.752 14.257 -3.375 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.936 13.568 -4.087 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -9.371 13.307 -1.581 1.00 0.00 H new ATOM 0 HZ PHE A 26 -6.960 12.961 -1.934 1.00 0.00 H new ATOM 350 N HIS A 27 -11.935 17.207 -4.761 1.00 0.00 N ATOM 351 CA HIS A 27 -12.697 17.791 -3.663 1.00 0.00 C ATOM 352 C HIS A 27 -13.222 16.690 -2.763 1.00 0.00 C ATOM 353 O HIS A 27 -13.937 15.801 -3.229 1.00 0.00 O ATOM 354 CB HIS A 27 -13.890 18.607 -4.179 1.00 0.00 C ATOM 355 CG HIS A 27 -13.540 19.862 -4.918 1.00 0.00 C ATOM 356 ND1 HIS A 27 -13.576 21.108 -4.335 1.00 0.00 N ATOM 357 CD2 HIS A 27 -13.207 20.063 -6.213 1.00 0.00 C ATOM 358 CE1 HIS A 27 -13.288 22.023 -5.243 1.00 0.00 C ATOM 359 NE2 HIS A 27 -13.059 21.416 -6.391 1.00 0.00 N ATOM 0 H HIS A 27 -12.509 16.799 -5.499 1.00 0.00 H new ATOM 0 HA HIS A 27 -12.028 18.453 -3.112 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -14.485 17.973 -4.836 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -14.523 18.870 -3.331 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -13.791 21.295 -3.356 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -13.081 19.300 -6.967 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -13.247 23.089 -5.074 1.00 0.00 H new ATOM 368 N LEU A 28 -12.880 16.740 -1.488 1.00 0.00 N ATOM 369 CA LEU A 28 -13.386 15.763 -0.543 1.00 0.00 C ATOM 370 C LEU A 28 -14.335 16.451 0.421 1.00 0.00 C ATOM 371 O LEU A 28 -13.969 17.430 1.067 1.00 0.00 O ATOM 372 CB LEU A 28 -12.231 15.081 0.207 1.00 0.00 C ATOM 373 CG LEU A 28 -12.602 13.797 0.962 1.00 0.00 C ATOM 374 CD1 LEU A 28 -11.377 12.923 1.144 1.00 0.00 C ATOM 375 CD2 LEU A 28 -13.213 14.109 2.319 1.00 0.00 C ATOM 0 H LEU A 28 -12.258 17.442 -1.086 1.00 0.00 H new ATOM 0 HA LEU A 28 -13.927 14.985 -1.080 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -11.444 14.846 -0.509 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -11.812 15.793 0.919 1.00 0.00 H new ATOM 0 HG LEU A 28 -13.344 13.265 0.366 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -11.654 12.016 1.681 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -10.971 12.658 0.168 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -10.624 13.466 1.714 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -13.464 13.178 2.828 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -12.497 14.669 2.920 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -14.116 14.704 2.183 1.00 0.00 H new ATOM 387 N HIS A 29 -15.551 15.944 0.506 1.00 0.00 N ATOM 388 CA HIS A 29 -16.564 16.552 1.356 1.00 0.00 C ATOM 389 C HIS A 29 -16.842 15.679 2.560 1.00 0.00 C ATOM 390 O HIS A 29 -16.801 14.453 2.458 1.00 0.00 O ATOM 391 CB HIS A 29 -17.863 16.812 0.583 1.00 0.00 C ATOM 392 CG HIS A 29 -18.508 15.590 -0.009 1.00 0.00 C ATOM 393 ND1 HIS A 29 -19.454 14.831 0.648 1.00 0.00 N ATOM 394 CD2 HIS A 29 -18.358 15.018 -1.224 1.00 0.00 C ATOM 395 CE1 HIS A 29 -19.863 13.856 -0.141 1.00 0.00 C ATOM 396 NE2 HIS A 29 -19.210 13.947 -1.281 1.00 0.00 N ATOM 0 H HIS A 29 -15.863 15.115 -0.000 1.00 0.00 H new ATOM 0 HA HIS A 29 -16.175 17.512 1.696 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -18.576 17.292 1.253 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -17.654 17.519 -0.220 1.00 0.00 H new ATOM 0 HD1 HIS A 29 -19.786 14.998 1.598 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -17.689 15.345 -2.006 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -20.605 13.111 0.106 1.00 0.00 H new ATOM 405 N GLY A 30 -17.081 16.310 3.700 1.00 0.00 N ATOM 406 CA GLY A 30 -17.469 15.567 4.874 1.00 0.00 C ATOM 407 C GLY A 30 -18.630 16.212 5.592 1.00 0.00 C ATOM 408 O GLY A 30 -18.577 17.390 5.949 1.00 0.00 O ATOM 0 H GLY A 30 -17.013 17.319 3.830 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -17.739 14.551 4.587 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -16.619 15.491 5.553 1.00 0.00 H new ATOM 412 N GLU A 31 -19.669 15.434 5.807 1.00 0.00 N ATOM 413 CA GLU A 31 -20.870 15.904 6.471 1.00 0.00 C ATOM 414 C GLU A 31 -21.301 14.933 7.560 1.00 0.00 C ATOM 415 O GLU A 31 -20.796 13.811 7.623 1.00 0.00 O ATOM 416 CB GLU A 31 -22.012 16.135 5.470 1.00 0.00 C ATOM 417 CG GLU A 31 -22.189 15.038 4.430 1.00 0.00 C ATOM 418 CD GLU A 31 -21.253 15.192 3.248 1.00 0.00 C ATOM 419 OE1 GLU A 31 -21.429 16.151 2.463 1.00 0.00 O ATOM 420 OE2 GLU A 31 -20.350 14.351 3.088 1.00 0.00 O ATOM 0 H GLU A 31 -19.707 14.454 5.526 1.00 0.00 H new ATOM 0 HA GLU A 31 -20.635 16.862 6.935 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -22.944 16.243 6.024 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -21.837 17.079 4.954 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -22.019 14.069 4.899 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -23.219 15.044 4.075 1.00 0.00 H new ATOM 427 N LYS A 32 -22.177 15.410 8.450 1.00 0.00 N ATOM 428 CA LYS A 32 -22.830 14.579 9.470 1.00 0.00 C ATOM 429 C LYS A 32 -22.010 14.484 10.757 1.00 0.00 C ATOM 430 O LYS A 32 -22.556 14.648 11.847 1.00 0.00 O ATOM 431 CB LYS A 32 -23.176 13.187 8.911 1.00 0.00 C ATOM 432 CG LYS A 32 -23.653 12.181 9.946 1.00 0.00 C ATOM 433 CD LYS A 32 -24.064 10.869 9.291 1.00 0.00 C ATOM 434 CE LYS A 32 -22.984 10.349 8.353 1.00 0.00 C ATOM 435 NZ LYS A 32 -23.400 9.105 7.656 1.00 0.00 N ATOM 0 H LYS A 32 -22.456 16.391 8.484 1.00 0.00 H new ATOM 0 HA LYS A 32 -23.764 15.074 9.737 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -23.950 13.299 8.151 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -22.295 12.783 8.412 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -22.859 11.996 10.670 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -24.497 12.595 10.497 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -24.267 10.125 10.061 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -24.991 11.014 8.735 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -22.746 11.115 7.615 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -22.073 10.159 8.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -22.635 8.786 7.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -23.602 8.365 8.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -24.255 9.291 7.093 1.00 0.00 H new ATOM 449 N GLY A 33 -20.715 14.227 10.654 1.00 0.00 N ATOM 450 CA GLY A 33 -19.894 14.179 11.850 1.00 0.00 C ATOM 451 C GLY A 33 -18.523 13.588 11.614 1.00 0.00 C ATOM 452 O GLY A 33 -17.576 14.309 11.292 1.00 0.00 O ATOM 0 H GLY A 33 -20.222 14.053 9.778 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -19.783 15.188 12.246 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -20.408 13.592 12.611 1.00 0.00 H new ATOM 456 N LYS A 34 -18.410 12.275 11.774 1.00 0.00 N ATOM 457 CA LYS A 34 -17.138 11.597 11.625 1.00 0.00 C ATOM 458 C LYS A 34 -17.104 10.886 10.292 1.00 0.00 C ATOM 459 O LYS A 34 -16.311 11.216 9.413 1.00 0.00 O ATOM 460 CB LYS A 34 -16.931 10.581 12.754 1.00 0.00 C ATOM 461 CG LYS A 34 -16.888 11.195 14.140 1.00 0.00 C ATOM 462 CD LYS A 34 -16.726 10.122 15.206 1.00 0.00 C ATOM 463 CE LYS A 34 -16.526 10.730 16.584 1.00 0.00 C ATOM 464 NZ LYS A 34 -15.327 11.608 16.630 1.00 0.00 N ATOM 0 H LYS A 34 -19.190 11.661 12.008 1.00 0.00 H new ATOM 0 HA LYS A 34 -16.338 12.336 11.672 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -17.735 9.846 12.719 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -16.000 10.043 12.578 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -16.061 11.903 14.203 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -17.804 11.758 14.321 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -17.607 9.481 15.215 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -15.874 9.489 14.960 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -17.409 11.306 16.859 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -16.422 9.934 17.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -14.799 11.429 17.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -14.717 11.406 15.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -15.625 12.604 16.602 1.00 0.00 H new ATOM 478 N LEU A 35 -17.997 9.926 10.144 1.00 0.00 N ATOM 479 CA LEU A 35 -18.055 9.137 8.939 1.00 0.00 C ATOM 480 C LEU A 35 -18.693 9.919 7.815 1.00 0.00 C ATOM 481 O LEU A 35 -19.851 10.336 7.900 1.00 0.00 O ATOM 482 CB LEU A 35 -18.801 7.830 9.169 1.00 0.00 C ATOM 483 CG LEU A 35 -18.098 6.860 10.110 1.00 0.00 C ATOM 484 CD1 LEU A 35 -18.426 7.170 11.560 1.00 0.00 C ATOM 485 CD2 LEU A 35 -18.462 5.432 9.748 1.00 0.00 C ATOM 0 H LEU A 35 -18.692 9.677 10.848 1.00 0.00 H new ATOM 0 HA LEU A 35 -17.031 8.895 8.654 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -19.789 8.056 9.571 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -18.953 7.339 8.208 1.00 0.00 H new ATOM 0 HG LEU A 35 -17.021 6.978 9.994 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -17.911 6.462 12.209 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -18.101 8.183 11.798 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -19.502 7.088 11.715 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -17.955 4.745 10.425 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -19.540 5.298 9.835 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -18.152 5.226 8.723 1.00 0.00 H new ATOM 497 N GLY A 36 -17.924 10.109 6.771 1.00 0.00 N ATOM 498 CA GLY A 36 -18.377 10.888 5.646 1.00 0.00 C ATOM 499 C GLY A 36 -17.225 11.410 4.823 1.00 0.00 C ATOM 500 O GLY A 36 -17.145 12.600 4.542 1.00 0.00 O ATOM 0 H GLY A 36 -16.980 9.734 6.677 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -19.024 10.276 5.018 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -18.977 11.725 6.002 1.00 0.00 H new ATOM 504 N GLN A 37 -16.310 10.526 4.460 1.00 0.00 N ATOM 505 CA GLN A 37 -15.224 10.897 3.573 1.00 0.00 C ATOM 506 C GLN A 37 -15.579 10.457 2.163 1.00 0.00 C ATOM 507 O GLN A 37 -15.659 9.259 1.889 1.00 0.00 O ATOM 508 CB GLN A 37 -13.909 10.224 3.995 1.00 0.00 C ATOM 509 CG GLN A 37 -13.379 10.619 5.371 1.00 0.00 C ATOM 510 CD GLN A 37 -14.230 10.107 6.523 1.00 0.00 C ATOM 511 OE1 GLN A 37 -14.916 9.091 6.408 1.00 0.00 O ATOM 512 NE2 GLN A 37 -14.170 10.796 7.649 1.00 0.00 N ATOM 0 H GLN A 37 -16.299 9.553 4.765 1.00 0.00 H new ATOM 0 HA GLN A 37 -15.085 11.977 3.619 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -14.052 9.144 3.977 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -13.147 10.457 3.251 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -12.364 10.238 5.483 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -13.320 11.706 5.430 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -13.590 11.633 7.704 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -14.704 10.491 8.463 1.00 0.00 H new ATOM 521 N TYR A 38 -15.780 11.415 1.270 1.00 0.00 N ATOM 522 CA TYR A 38 -16.190 11.096 -0.090 1.00 0.00 C ATOM 523 C TYR A 38 -15.573 12.053 -1.092 1.00 0.00 C ATOM 524 O TYR A 38 -15.501 13.264 -0.856 1.00 0.00 O ATOM 525 CB TYR A 38 -17.717 11.143 -0.224 1.00 0.00 C ATOM 526 CG TYR A 38 -18.440 10.125 0.622 1.00 0.00 C ATOM 527 CD1 TYR A 38 -18.479 8.794 0.242 1.00 0.00 C ATOM 528 CD2 TYR A 38 -19.071 10.491 1.805 1.00 0.00 C ATOM 529 CE1 TYR A 38 -19.126 7.854 1.013 1.00 0.00 C ATOM 530 CE2 TYR A 38 -19.719 9.552 2.583 1.00 0.00 C ATOM 531 CZ TYR A 38 -19.743 8.234 2.180 1.00 0.00 C ATOM 532 OH TYR A 38 -20.382 7.291 2.951 1.00 0.00 O ATOM 0 H TYR A 38 -15.667 12.411 1.460 1.00 0.00 H new ATOM 0 HA TYR A 38 -15.838 10.087 -0.303 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -18.065 12.139 0.049 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -17.984 10.987 -1.269 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -17.994 8.488 -0.673 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -19.054 11.524 2.120 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -19.148 6.820 0.701 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -20.204 9.848 3.501 1.00 0.00 H new ATOM 0 HH TYR A 38 -20.766 7.722 3.743 1.00 0.00 H new ATOM 542 N ILE A 39 -15.130 11.499 -2.210 1.00 0.00 N ATOM 543 CA ILE A 39 -14.610 12.297 -3.306 1.00 0.00 C ATOM 544 C ILE A 39 -15.767 12.858 -4.122 1.00 0.00 C ATOM 545 O ILE A 39 -16.539 12.107 -4.716 1.00 0.00 O ATOM 546 CB ILE A 39 -13.698 11.464 -4.230 1.00 0.00 C ATOM 547 CG1 ILE A 39 -12.656 10.698 -3.409 1.00 0.00 C ATOM 548 CG2 ILE A 39 -13.017 12.364 -5.250 1.00 0.00 C ATOM 549 CD1 ILE A 39 -11.793 11.580 -2.537 1.00 0.00 C ATOM 0 H ILE A 39 -15.121 10.494 -2.381 1.00 0.00 H new ATOM 0 HA ILE A 39 -14.019 13.107 -2.879 1.00 0.00 H new ATOM 0 HB ILE A 39 -14.314 10.739 -4.763 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -13.168 9.971 -2.779 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -12.014 10.136 -4.088 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -12.377 11.763 -5.895 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -13.773 12.866 -5.854 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -12.413 13.109 -4.732 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -11.081 10.964 -1.988 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.252 12.291 -3.161 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -12.423 12.122 -1.832 1.00 0.00 H new ATOM 561 N ARG A 40 -15.889 14.175 -4.138 1.00 0.00 N ATOM 562 CA ARG A 40 -17.002 14.841 -4.805 1.00 0.00 C ATOM 563 C ARG A 40 -16.699 15.016 -6.285 1.00 0.00 C ATOM 564 O ARG A 40 -17.498 14.657 -7.147 1.00 0.00 O ATOM 565 CB ARG A 40 -17.243 16.206 -4.146 1.00 0.00 C ATOM 566 CG ARG A 40 -18.629 16.807 -4.375 1.00 0.00 C ATOM 567 CD ARG A 40 -18.772 17.473 -5.735 1.00 0.00 C ATOM 568 NE ARG A 40 -19.869 18.442 -5.735 1.00 0.00 N ATOM 569 CZ ARG A 40 -20.374 19.026 -6.824 1.00 0.00 C ATOM 570 NH1 ARG A 40 -19.955 18.682 -8.037 1.00 0.00 N ATOM 571 NH2 ARG A 40 -21.324 19.942 -6.690 1.00 0.00 N ATOM 0 H ARG A 40 -15.227 14.811 -3.694 1.00 0.00 H new ATOM 0 HA ARG A 40 -17.900 14.230 -4.709 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -17.081 16.106 -3.073 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -16.495 16.907 -4.517 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -19.379 16.022 -4.281 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -18.834 17.540 -3.595 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -17.840 17.974 -5.998 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -18.952 16.715 -6.497 1.00 0.00 H new ATOM 0 HE ARG A 40 -20.279 18.690 -4.834 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -19.239 17.964 -8.145 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -20.349 19.136 -8.861 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -21.662 20.194 -5.761 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -21.717 20.394 -7.516 1.00 0.00 H new ATOM 585 N LEU A 41 -15.525 15.552 -6.572 1.00 0.00 N ATOM 586 CA LEU A 41 -15.146 15.865 -7.938 1.00 0.00 C ATOM 587 C LEU A 41 -13.648 15.666 -8.117 1.00 0.00 C ATOM 588 O LEU A 41 -12.853 16.096 -7.279 1.00 0.00 O ATOM 589 CB LEU A 41 -15.559 17.314 -8.273 1.00 0.00 C ATOM 590 CG LEU A 41 -15.429 17.751 -9.745 1.00 0.00 C ATOM 591 CD1 LEU A 41 -14.003 18.160 -10.080 1.00 0.00 C ATOM 592 CD2 LEU A 41 -15.897 16.645 -10.681 1.00 0.00 C ATOM 0 H LEU A 41 -14.816 15.780 -5.875 1.00 0.00 H new ATOM 0 HA LEU A 41 -15.662 15.194 -8.625 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -16.597 17.450 -7.969 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -14.957 17.988 -7.664 1.00 0.00 H new ATOM 0 HG LEU A 41 -16.070 18.621 -9.886 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -13.947 18.462 -11.126 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -13.705 18.994 -9.445 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -13.333 17.317 -9.910 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -15.796 16.976 -11.715 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -15.289 15.754 -10.524 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -16.942 16.412 -10.475 1.00 0.00 H new ATOM 604 N VAL A 42 -13.285 14.999 -9.202 1.00 0.00 N ATOM 605 CA VAL A 42 -11.890 14.766 -9.544 1.00 0.00 C ATOM 606 C VAL A 42 -11.544 15.561 -10.794 1.00 0.00 C ATOM 607 O VAL A 42 -12.267 15.502 -11.791 1.00 0.00 O ATOM 608 CB VAL A 42 -11.606 13.268 -9.801 1.00 0.00 C ATOM 609 CG1 VAL A 42 -10.139 13.042 -10.131 1.00 0.00 C ATOM 610 CG2 VAL A 42 -12.021 12.425 -8.606 1.00 0.00 C ATOM 0 H VAL A 42 -13.948 14.605 -9.869 1.00 0.00 H new ATOM 0 HA VAL A 42 -11.277 15.086 -8.701 1.00 0.00 H new ATOM 0 HB VAL A 42 -12.200 12.957 -10.661 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -9.965 11.981 -10.307 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -9.876 13.606 -11.026 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -9.523 13.377 -9.297 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -11.811 11.375 -8.811 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -11.462 12.742 -7.726 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -13.088 12.553 -8.423 1.00 0.00 H new ATOM 620 N GLU A 43 -10.458 16.310 -10.740 1.00 0.00 N ATOM 621 CA GLU A 43 -10.070 17.156 -11.843 1.00 0.00 C ATOM 622 C GLU A 43 -9.189 16.378 -12.813 1.00 0.00 C ATOM 623 O GLU A 43 -8.206 15.760 -12.410 1.00 0.00 O ATOM 624 CB GLU A 43 -9.354 18.389 -11.294 1.00 0.00 C ATOM 625 CG GLU A 43 -8.885 19.353 -12.357 1.00 0.00 C ATOM 626 CD GLU A 43 -8.705 20.753 -11.816 1.00 0.00 C ATOM 627 OE1 GLU A 43 -7.606 21.072 -11.324 1.00 0.00 O ATOM 628 OE2 GLU A 43 -9.677 21.538 -11.868 1.00 0.00 O ATOM 0 H GLU A 43 -9.829 16.346 -9.938 1.00 0.00 H new ATOM 0 HA GLU A 43 -10.951 17.484 -12.395 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -10.025 18.913 -10.614 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -8.494 18.066 -10.707 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -7.941 19.002 -12.773 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -9.607 19.370 -13.174 1.00 0.00 H new ATOM 635 N PRO A 44 -9.549 16.388 -14.111 1.00 0.00 N ATOM 636 CA PRO A 44 -8.830 15.640 -15.156 1.00 0.00 C ATOM 637 C PRO A 44 -7.367 16.050 -15.269 1.00 0.00 C ATOM 638 O PRO A 44 -6.539 15.310 -15.797 1.00 0.00 O ATOM 639 CB PRO A 44 -9.578 16.002 -16.444 1.00 0.00 C ATOM 640 CG PRO A 44 -10.332 17.243 -16.118 1.00 0.00 C ATOM 641 CD PRO A 44 -10.690 17.129 -14.668 1.00 0.00 C ATOM 0 HA PRO A 44 -8.813 14.572 -14.940 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -8.885 16.167 -17.269 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -10.251 15.200 -16.748 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -9.726 18.130 -16.303 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -11.225 17.333 -16.736 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -10.804 18.107 -14.201 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.629 16.595 -14.523 1.00 0.00 H new ATOM 649 N GLY A 45 -7.060 17.243 -14.786 1.00 0.00 N ATOM 650 CA GLY A 45 -5.697 17.717 -14.796 1.00 0.00 C ATOM 651 C GLY A 45 -5.042 17.615 -13.434 1.00 0.00 C ATOM 652 O GLY A 45 -4.392 18.555 -12.977 1.00 0.00 O ATOM 0 H GLY A 45 -7.736 17.893 -14.385 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -5.120 17.140 -15.518 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.678 18.755 -15.129 1.00 0.00 H new ATOM 656 N SER A 46 -5.220 16.479 -12.776 1.00 0.00 N ATOM 657 CA SER A 46 -4.586 16.238 -11.494 1.00 0.00 C ATOM 658 C SER A 46 -3.870 14.891 -11.519 1.00 0.00 C ATOM 659 O SER A 46 -3.921 14.188 -12.524 1.00 0.00 O ATOM 660 CB SER A 46 -5.644 16.260 -10.389 1.00 0.00 C ATOM 661 OG SER A 46 -6.544 15.176 -10.524 1.00 0.00 O ATOM 0 H SER A 46 -5.800 15.710 -13.112 1.00 0.00 H new ATOM 0 HA SER A 46 -3.852 17.019 -11.296 1.00 0.00 H new ATOM 0 HB2 SER A 46 -5.158 16.214 -9.415 1.00 0.00 H new ATOM 0 HB3 SER A 46 -6.194 17.200 -10.426 1.00 0.00 H new ATOM 0 HG SER A 46 -7.017 15.248 -11.379 1.00 0.00 H new ATOM 667 N PRO A 47 -3.136 14.543 -10.450 1.00 0.00 N ATOM 668 CA PRO A 47 -2.610 13.189 -10.252 1.00 0.00 C ATOM 669 C PRO A 47 -3.686 12.206 -9.773 1.00 0.00 C ATOM 670 O PRO A 47 -3.467 10.994 -9.768 1.00 0.00 O ATOM 671 CB PRO A 47 -1.530 13.363 -9.169 1.00 0.00 C ATOM 672 CG PRO A 47 -1.370 14.836 -8.989 1.00 0.00 C ATOM 673 CD PRO A 47 -2.680 15.447 -9.390 1.00 0.00 C ATOM 0 HA PRO A 47 -2.231 12.770 -11.184 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -1.830 12.885 -8.236 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -0.591 12.902 -9.475 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -1.127 15.078 -7.954 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.556 15.218 -9.605 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.383 15.485 -8.558 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.559 16.468 -9.751 1.00 0.00 H new ATOM 681 N ALA A 48 -4.839 12.738 -9.367 1.00 0.00 N ATOM 682 CA ALA A 48 -5.877 11.949 -8.705 1.00 0.00 C ATOM 683 C ALA A 48 -6.403 10.807 -9.572 1.00 0.00 C ATOM 684 O ALA A 48 -6.435 9.657 -9.127 1.00 0.00 O ATOM 685 CB ALA A 48 -7.019 12.857 -8.268 1.00 0.00 C ATOM 0 H ALA A 48 -5.079 13.722 -9.487 1.00 0.00 H new ATOM 0 HA ALA A 48 -5.419 11.487 -7.831 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -7.789 12.262 -7.776 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.641 13.608 -7.574 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -7.445 13.351 -9.141 1.00 0.00 H new ATOM 691 N GLU A 49 -6.799 11.101 -10.803 1.00 0.00 N ATOM 692 CA GLU A 49 -7.353 10.064 -11.672 1.00 0.00 C ATOM 693 C GLU A 49 -6.271 9.078 -12.129 1.00 0.00 C ATOM 694 O GLU A 49 -6.560 7.907 -12.385 1.00 0.00 O ATOM 695 CB GLU A 49 -8.139 10.660 -12.857 1.00 0.00 C ATOM 696 CG GLU A 49 -7.620 11.994 -13.377 1.00 0.00 C ATOM 697 CD GLU A 49 -6.261 11.886 -14.016 1.00 0.00 C ATOM 698 OE1 GLU A 49 -5.260 11.980 -13.288 1.00 0.00 O ATOM 699 OE2 GLU A 49 -6.190 11.706 -15.252 1.00 0.00 O ATOM 0 H GLU A 49 -6.750 12.031 -11.220 1.00 0.00 H new ATOM 0 HA GLU A 49 -8.072 9.497 -11.081 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.130 9.941 -13.676 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.179 10.786 -12.555 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -8.327 12.394 -14.104 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.573 12.706 -12.553 1.00 0.00 H new ATOM 706 N LYS A 50 -5.027 9.550 -12.223 1.00 0.00 N ATOM 707 CA LYS A 50 -3.889 8.672 -12.504 1.00 0.00 C ATOM 708 C LYS A 50 -3.710 7.651 -11.383 1.00 0.00 C ATOM 709 O LYS A 50 -3.301 6.517 -11.624 1.00 0.00 O ATOM 710 CB LYS A 50 -2.583 9.462 -12.640 1.00 0.00 C ATOM 711 CG LYS A 50 -2.572 10.511 -13.741 1.00 0.00 C ATOM 712 CD LYS A 50 -1.186 11.130 -13.902 1.00 0.00 C ATOM 713 CE LYS A 50 -0.617 11.598 -12.567 1.00 0.00 C ATOM 714 NZ LYS A 50 0.715 12.243 -12.710 1.00 0.00 N ATOM 0 H LYS A 50 -4.782 10.533 -12.109 1.00 0.00 H new ATOM 0 HA LYS A 50 -4.106 8.170 -13.447 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -2.374 9.954 -11.690 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.769 8.760 -12.821 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.882 10.057 -14.682 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.297 11.292 -13.510 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.511 10.400 -14.349 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.242 11.974 -14.589 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.310 12.302 -12.107 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.534 10.746 -11.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.012 12.633 -11.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.410 11.538 -13.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.656 13.010 -13.410 1.00 0.00 H new ATOM 728 N ALA A 51 -4.003 8.074 -10.158 1.00 0.00 N ATOM 729 CA ALA A 51 -3.819 7.227 -8.985 1.00 0.00 C ATOM 730 C ALA A 51 -4.863 6.120 -8.928 1.00 0.00 C ATOM 731 O ALA A 51 -4.650 5.086 -8.291 1.00 0.00 O ATOM 732 CB ALA A 51 -3.868 8.068 -7.718 1.00 0.00 C ATOM 0 H ALA A 51 -4.371 9.003 -9.951 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.839 6.755 -9.061 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.730 7.425 -6.849 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.075 8.815 -7.746 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -4.835 8.567 -7.650 1.00 0.00 H new ATOM 738 N GLY A 52 -5.984 6.342 -9.599 1.00 0.00 N ATOM 739 CA GLY A 52 -7.060 5.369 -9.597 1.00 0.00 C ATOM 740 C GLY A 52 -8.248 5.842 -8.789 1.00 0.00 C ATOM 741 O GLY A 52 -9.206 5.101 -8.577 1.00 0.00 O ATOM 0 H GLY A 52 -6.169 7.182 -10.147 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.374 5.173 -10.622 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -6.696 4.426 -9.189 1.00 0.00 H new ATOM 745 N LEU A 53 -8.169 7.081 -8.329 1.00 0.00 N ATOM 746 CA LEU A 53 -9.232 7.692 -7.549 1.00 0.00 C ATOM 747 C LEU A 53 -10.433 8.020 -8.430 1.00 0.00 C ATOM 748 O LEU A 53 -10.284 8.638 -9.487 1.00 0.00 O ATOM 749 CB LEU A 53 -8.720 8.973 -6.901 1.00 0.00 C ATOM 750 CG LEU A 53 -9.591 9.523 -5.782 1.00 0.00 C ATOM 751 CD1 LEU A 53 -9.379 8.711 -4.518 1.00 0.00 C ATOM 752 CD2 LEU A 53 -9.281 10.988 -5.547 1.00 0.00 C ATOM 0 H LEU A 53 -7.366 7.690 -8.486 1.00 0.00 H new ATOM 0 HA LEU A 53 -9.544 6.984 -6.781 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -7.721 8.788 -6.505 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -8.621 9.737 -7.672 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.639 9.443 -6.071 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -10.005 9.110 -3.720 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -9.647 7.671 -4.704 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -8.332 8.768 -4.220 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -9.911 11.369 -4.744 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -8.233 11.098 -5.269 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -9.475 11.552 -6.459 1.00 0.00 H new ATOM 764 N LEU A 54 -11.618 7.614 -7.998 1.00 0.00 N ATOM 765 CA LEU A 54 -12.833 7.906 -8.736 1.00 0.00 C ATOM 766 C LEU A 54 -13.742 8.827 -7.928 1.00 0.00 C ATOM 767 O LEU A 54 -13.600 8.963 -6.711 1.00 0.00 O ATOM 768 CB LEU A 54 -13.575 6.609 -9.083 1.00 0.00 C ATOM 769 CG LEU A 54 -12.821 5.658 -10.013 1.00 0.00 C ATOM 770 CD1 LEU A 54 -13.606 4.370 -10.204 1.00 0.00 C ATOM 771 CD2 LEU A 54 -12.551 6.326 -11.351 1.00 0.00 C ATOM 0 H LEU A 54 -11.762 7.082 -7.140 1.00 0.00 H new ATOM 0 HA LEU A 54 -12.557 8.411 -9.662 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -13.804 6.081 -8.157 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -14.527 6.867 -9.547 1.00 0.00 H new ATOM 0 HG LEU A 54 -11.863 5.411 -9.555 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -13.056 3.704 -10.869 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -13.748 3.884 -9.239 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -14.578 4.598 -10.642 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -12.014 5.635 -12.001 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -13.497 6.602 -11.817 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -11.949 7.221 -11.196 1.00 0.00 H new ATOM 783 N ALA A 55 -14.670 9.474 -8.620 1.00 0.00 N ATOM 784 CA ALA A 55 -15.616 10.369 -7.976 1.00 0.00 C ATOM 785 C ALA A 55 -16.673 9.573 -7.222 1.00 0.00 C ATOM 786 O ALA A 55 -17.624 9.060 -7.817 1.00 0.00 O ATOM 787 CB ALA A 55 -16.268 11.282 -9.006 1.00 0.00 C ATOM 0 H ALA A 55 -14.786 9.394 -9.630 1.00 0.00 H new ATOM 0 HA ALA A 55 -15.076 10.988 -7.260 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -16.974 11.947 -8.508 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -15.501 11.875 -9.504 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -16.796 10.679 -9.744 1.00 0.00 H new ATOM 793 N GLY A 56 -16.491 9.468 -5.913 1.00 0.00 N ATOM 794 CA GLY A 56 -17.419 8.729 -5.082 1.00 0.00 C ATOM 795 C GLY A 56 -16.708 7.842 -4.083 1.00 0.00 C ATOM 796 O GLY A 56 -17.337 7.265 -3.197 1.00 0.00 O ATOM 0 H GLY A 56 -15.709 9.886 -5.408 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -18.064 9.428 -4.550 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -18.063 8.118 -5.714 1.00 0.00 H new ATOM 800 N ASP A 57 -15.391 7.740 -4.225 1.00 0.00 N ATOM 801 CA ASP A 57 -14.582 6.892 -3.356 1.00 0.00 C ATOM 802 C ASP A 57 -14.584 7.383 -1.913 1.00 0.00 C ATOM 803 O ASP A 57 -14.689 8.585 -1.646 1.00 0.00 O ATOM 804 CB ASP A 57 -13.144 6.820 -3.863 1.00 0.00 C ATOM 805 CG ASP A 57 -12.933 5.716 -4.878 1.00 0.00 C ATOM 806 OD1 ASP A 57 -12.858 4.537 -4.474 1.00 0.00 O ATOM 807 OD2 ASP A 57 -12.832 6.019 -6.079 1.00 0.00 O ATOM 0 H ASP A 57 -14.858 8.237 -4.938 1.00 0.00 H new ATOM 0 HA ASP A 57 -15.030 5.899 -3.378 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -12.874 7.776 -4.312 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -12.473 6.663 -3.018 1.00 0.00 H new ATOM 812 N ARG A 58 -14.470 6.434 -0.992 1.00 0.00 N ATOM 813 CA ARG A 58 -14.377 6.727 0.431 1.00 0.00 C ATOM 814 C ARG A 58 -12.943 6.523 0.904 1.00 0.00 C ATOM 815 O ARG A 58 -12.274 5.581 0.477 1.00 0.00 O ATOM 816 CB ARG A 58 -15.290 5.793 1.239 1.00 0.00 C ATOM 817 CG ARG A 58 -16.661 5.578 0.624 1.00 0.00 C ATOM 818 CD ARG A 58 -17.452 4.519 1.379 1.00 0.00 C ATOM 819 NE ARG A 58 -18.274 5.081 2.454 1.00 0.00 N ATOM 820 CZ ARG A 58 -18.462 4.487 3.633 1.00 0.00 C ATOM 821 NH1 ARG A 58 -17.748 3.420 3.964 1.00 0.00 N ATOM 822 NH2 ARG A 58 -19.340 4.991 4.494 1.00 0.00 N ATOM 0 H ARG A 58 -14.439 5.438 -1.212 1.00 0.00 H new ATOM 0 HA ARG A 58 -14.687 7.761 0.585 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -14.797 4.827 1.348 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -15.414 6.202 2.242 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -17.214 6.517 0.627 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -16.550 5.277 -0.418 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -18.094 3.984 0.679 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -16.762 3.788 1.800 1.00 0.00 H new ATOM 0 HE ARG A 58 -18.729 5.979 2.291 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -17.052 3.051 3.316 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -17.895 2.968 4.867 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -19.868 5.830 4.252 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -19.486 4.539 5.397 1.00 0.00 H new ATOM 836 N LEU A 59 -12.479 7.399 1.780 1.00 0.00 N ATOM 837 CA LEU A 59 -11.155 7.261 2.379 1.00 0.00 C ATOM 838 C LEU A 59 -11.161 6.155 3.427 1.00 0.00 C ATOM 839 O LEU A 59 -11.789 6.286 4.476 1.00 0.00 O ATOM 840 CB LEU A 59 -10.721 8.584 3.018 1.00 0.00 C ATOM 841 CG LEU A 59 -9.644 9.364 2.260 1.00 0.00 C ATOM 842 CD1 LEU A 59 -8.321 8.619 2.300 1.00 0.00 C ATOM 843 CD2 LEU A 59 -10.070 9.615 0.821 1.00 0.00 C ATOM 0 H LEU A 59 -13.000 8.218 2.095 1.00 0.00 H new ATOM 0 HA LEU A 59 -10.446 6.999 1.594 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -11.599 9.221 3.123 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -10.355 8.378 4.024 1.00 0.00 H new ATOM 0 HG LEU A 59 -9.514 10.329 2.750 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -7.567 9.188 1.756 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -8.005 8.494 3.336 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -8.441 7.640 1.837 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -9.289 10.171 0.302 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -10.232 8.662 0.318 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -10.994 10.193 0.811 1.00 0.00 H new ATOM 855 N VAL A 60 -10.465 5.066 3.133 1.00 0.00 N ATOM 856 CA VAL A 60 -10.398 3.938 4.048 1.00 0.00 C ATOM 857 C VAL A 60 -9.247 4.116 5.028 1.00 0.00 C ATOM 858 O VAL A 60 -9.441 4.084 6.242 1.00 0.00 O ATOM 859 CB VAL A 60 -10.219 2.606 3.289 1.00 0.00 C ATOM 860 CG1 VAL A 60 -10.158 1.433 4.257 1.00 0.00 C ATOM 861 CG2 VAL A 60 -11.343 2.408 2.282 1.00 0.00 C ATOM 0 H VAL A 60 -9.939 4.941 2.268 1.00 0.00 H new ATOM 0 HA VAL A 60 -11.341 3.904 4.593 1.00 0.00 H new ATOM 0 HB VAL A 60 -9.274 2.650 2.748 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -10.032 0.506 3.698 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -9.316 1.565 4.936 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -11.083 1.387 4.832 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -11.199 1.464 1.757 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -12.300 2.391 2.804 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -11.336 3.227 1.563 1.00 0.00 H new ATOM 871 N GLU A 61 -8.051 4.323 4.507 1.00 0.00 N ATOM 872 CA GLU A 61 -6.891 4.517 5.356 1.00 0.00 C ATOM 873 C GLU A 61 -5.987 5.597 4.786 1.00 0.00 C ATOM 874 O GLU A 61 -6.171 6.035 3.650 1.00 0.00 O ATOM 875 CB GLU A 61 -6.126 3.191 5.547 1.00 0.00 C ATOM 876 CG GLU A 61 -5.575 2.562 4.271 1.00 0.00 C ATOM 877 CD GLU A 61 -4.289 3.210 3.787 1.00 0.00 C ATOM 878 OE1 GLU A 61 -3.233 2.991 4.421 1.00 0.00 O ATOM 879 OE2 GLU A 61 -4.334 3.944 2.784 1.00 0.00 O ATOM 0 H GLU A 61 -7.859 4.361 3.506 1.00 0.00 H new ATOM 0 HA GLU A 61 -7.232 4.848 6.337 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -5.297 3.365 6.233 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.791 2.474 6.027 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.395 1.501 4.446 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -6.327 2.633 3.485 1.00 0.00 H new ATOM 886 N VAL A 62 -5.043 6.047 5.596 1.00 0.00 N ATOM 887 CA VAL A 62 -4.018 6.969 5.142 1.00 0.00 C ATOM 888 C VAL A 62 -2.657 6.495 5.635 1.00 0.00 C ATOM 889 O VAL A 62 -2.372 6.534 6.834 1.00 0.00 O ATOM 890 CB VAL A 62 -4.277 8.417 5.636 1.00 0.00 C ATOM 891 CG1 VAL A 62 -3.102 9.328 5.305 1.00 0.00 C ATOM 892 CG2 VAL A 62 -5.553 8.977 5.027 1.00 0.00 C ATOM 0 H VAL A 62 -4.966 5.785 6.579 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.041 6.984 4.052 1.00 0.00 H new ATOM 0 HB VAL A 62 -4.392 8.379 6.719 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -3.311 10.336 5.663 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.201 8.951 5.789 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.951 9.350 4.226 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -5.713 9.993 5.388 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -5.463 8.988 3.941 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -6.398 8.352 5.315 1.00 0.00 H new ATOM 902 N ASN A 63 -1.839 6.033 4.694 1.00 0.00 N ATOM 903 CA ASN A 63 -0.472 5.577 4.966 1.00 0.00 C ATOM 904 C ASN A 63 -0.403 4.575 6.120 1.00 0.00 C ATOM 905 O ASN A 63 0.498 4.650 6.958 1.00 0.00 O ATOM 906 CB ASN A 63 0.466 6.758 5.255 1.00 0.00 C ATOM 907 CG ASN A 63 0.687 7.651 4.048 1.00 0.00 C ATOM 908 OD1 ASN A 63 -0.064 8.734 3.972 1.00 0.00 O flip ATOM 909 ND2 ASN A 63 1.544 7.385 3.203 1.00 0.00 N flip ATOM 0 H ASN A 63 -2.105 5.962 3.712 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.142 5.068 4.060 1.00 0.00 H new ATOM 0 HB2 ASN A 63 0.051 7.353 6.069 1.00 0.00 H new ATOM 0 HB3 ASN A 63 1.427 6.375 5.598 1.00 0.00 H new ATOM 0 HD21 ASN A 63 2.106 6.539 3.295 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.692 8.011 2.412 1.00 0.00 H new ATOM 916 N GLY A 64 -1.344 3.645 6.171 1.00 0.00 N ATOM 917 CA GLY A 64 -1.246 2.569 7.134 1.00 0.00 C ATOM 918 C GLY A 64 -2.384 2.510 8.135 1.00 0.00 C ATOM 919 O GLY A 64 -2.767 1.421 8.563 1.00 0.00 O ATOM 0 H GLY A 64 -2.167 3.615 5.569 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -1.203 1.622 6.597 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -0.307 2.670 7.678 1.00 0.00 H new ATOM 923 N GLU A 65 -2.926 3.654 8.534 1.00 0.00 N ATOM 924 CA GLU A 65 -3.945 3.653 9.581 1.00 0.00 C ATOM 925 C GLU A 65 -5.343 3.883 9.022 1.00 0.00 C ATOM 926 O GLU A 65 -5.551 4.722 8.142 1.00 0.00 O ATOM 927 CB GLU A 65 -3.626 4.679 10.675 1.00 0.00 C ATOM 928 CG GLU A 65 -3.526 6.117 10.200 1.00 0.00 C ATOM 929 CD GLU A 65 -3.291 7.078 11.349 1.00 0.00 C ATOM 930 OE1 GLU A 65 -2.128 7.220 11.786 1.00 0.00 O ATOM 931 OE2 GLU A 65 -4.267 7.682 11.837 1.00 0.00 O ATOM 0 H GLU A 65 -2.687 4.573 8.161 1.00 0.00 H new ATOM 0 HA GLU A 65 -3.930 2.659 10.029 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -4.397 4.619 11.443 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.683 4.402 11.147 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -2.712 6.206 9.481 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -4.443 6.392 9.679 1.00 0.00 H new ATOM 938 N ASN A 66 -6.289 3.116 9.554 1.00 0.00 N ATOM 939 CA ASN A 66 -7.687 3.173 9.143 1.00 0.00 C ATOM 940 C ASN A 66 -8.314 4.496 9.579 1.00 0.00 C ATOM 941 O ASN A 66 -8.456 4.761 10.772 1.00 0.00 O ATOM 942 CB ASN A 66 -8.440 1.993 9.773 1.00 0.00 C ATOM 943 CG ASN A 66 -9.858 1.823 9.254 1.00 0.00 C ATOM 944 OD1 ASN A 66 -10.074 2.123 7.982 1.00 0.00 O flip ATOM 945 ND2 ASN A 66 -10.750 1.399 9.990 1.00 0.00 N flip ATOM 0 H ASN A 66 -6.105 2.432 10.288 1.00 0.00 H new ATOM 0 HA ASN A 66 -7.751 3.108 8.057 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -7.882 1.076 9.585 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -8.473 2.130 10.854 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -10.545 1.179 10.965 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -11.693 1.268 9.625 1.00 0.00 H new ATOM 952 N VAL A 67 -8.690 5.327 8.614 1.00 0.00 N ATOM 953 CA VAL A 67 -9.185 6.666 8.916 1.00 0.00 C ATOM 954 C VAL A 67 -10.668 6.813 8.590 1.00 0.00 C ATOM 955 O VAL A 67 -11.199 7.922 8.575 1.00 0.00 O ATOM 956 CB VAL A 67 -8.399 7.752 8.150 1.00 0.00 C ATOM 957 CG1 VAL A 67 -6.930 7.732 8.539 1.00 0.00 C ATOM 958 CG2 VAL A 67 -8.561 7.580 6.646 1.00 0.00 C ATOM 0 H VAL A 67 -8.662 5.099 7.620 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.040 6.804 9.988 1.00 0.00 H new ATOM 0 HB VAL A 67 -8.810 8.723 8.426 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -6.397 8.506 7.987 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -6.834 7.919 9.609 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.504 6.757 8.301 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.998 8.357 6.128 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.185 6.601 6.349 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.616 7.659 6.382 1.00 0.00 H new ATOM 968 N GLU A 68 -11.340 5.696 8.349 1.00 0.00 N ATOM 969 CA GLU A 68 -12.752 5.723 7.978 1.00 0.00 C ATOM 970 C GLU A 68 -13.644 6.013 9.186 1.00 0.00 C ATOM 971 O GLU A 68 -14.868 6.085 9.066 1.00 0.00 O ATOM 972 CB GLU A 68 -13.155 4.395 7.339 1.00 0.00 C ATOM 973 CG GLU A 68 -12.994 3.210 8.270 1.00 0.00 C ATOM 974 CD GLU A 68 -13.322 1.895 7.604 1.00 0.00 C ATOM 975 OE1 GLU A 68 -12.465 1.372 6.861 1.00 0.00 O ATOM 976 OE2 GLU A 68 -14.427 1.370 7.847 1.00 0.00 O ATOM 0 H GLU A 68 -10.934 4.762 8.403 1.00 0.00 H new ATOM 0 HA GLU A 68 -12.890 6.528 7.256 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -14.194 4.456 7.015 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -12.552 4.231 6.446 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -11.969 3.180 8.639 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -13.641 3.344 9.137 1.00 0.00 H new ATOM 983 N LYS A 69 -13.031 6.154 10.357 1.00 0.00 N ATOM 984 CA LYS A 69 -13.771 6.499 11.564 1.00 0.00 C ATOM 985 C LYS A 69 -13.287 7.841 12.112 1.00 0.00 C ATOM 986 O LYS A 69 -13.714 8.282 13.181 1.00 0.00 O ATOM 987 CB LYS A 69 -13.622 5.406 12.633 1.00 0.00 C ATOM 988 CG LYS A 69 -13.903 3.991 12.131 1.00 0.00 C ATOM 989 CD LYS A 69 -15.345 3.806 11.668 1.00 0.00 C ATOM 990 CE LYS A 69 -16.340 3.944 12.812 1.00 0.00 C ATOM 991 NZ LYS A 69 -17.719 3.571 12.392 1.00 0.00 N ATOM 0 H LYS A 69 -12.027 6.035 10.495 1.00 0.00 H new ATOM 0 HA LYS A 69 -14.827 6.579 11.305 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -12.609 5.442 13.033 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -14.299 5.627 13.458 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -13.229 3.762 11.306 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -13.687 3.278 12.927 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -15.575 4.543 10.898 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -15.454 2.823 11.211 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -16.029 3.311 13.643 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -16.336 4.972 13.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -18.300 4.429 12.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -17.683 3.086 11.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -18.138 2.937 13.101 1.00 0.00 H new ATOM 1005 N GLU A 70 -12.393 8.484 11.367 1.00 0.00 N ATOM 1006 CA GLU A 70 -11.867 9.789 11.749 1.00 0.00 C ATOM 1007 C GLU A 70 -12.875 10.876 11.410 1.00 0.00 C ATOM 1008 O GLU A 70 -13.979 10.590 10.955 1.00 0.00 O ATOM 1009 CB GLU A 70 -10.560 10.074 11.007 1.00 0.00 C ATOM 1010 CG GLU A 70 -9.435 9.106 11.325 1.00 0.00 C ATOM 1011 CD GLU A 70 -8.887 9.271 12.726 1.00 0.00 C ATOM 1012 OE1 GLU A 70 -8.437 10.388 13.063 1.00 0.00 O ATOM 1013 OE2 GLU A 70 -8.882 8.280 13.483 1.00 0.00 O ATOM 0 H GLU A 70 -12.017 8.120 10.492 1.00 0.00 H new ATOM 0 HA GLU A 70 -11.680 9.782 12.823 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -10.752 10.049 9.934 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -10.232 11.085 11.248 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -9.796 8.085 11.201 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -8.628 9.248 10.607 1.00 0.00 H new ATOM 1020 N THR A 71 -12.494 12.122 11.625 1.00 0.00 N ATOM 1021 CA THR A 71 -13.337 13.234 11.238 1.00 0.00 C ATOM 1022 C THR A 71 -12.944 13.705 9.846 1.00 0.00 C ATOM 1023 O THR A 71 -11.896 13.305 9.327 1.00 0.00 O ATOM 1024 CB THR A 71 -13.222 14.416 12.224 1.00 0.00 C ATOM 1025 OG1 THR A 71 -11.929 15.021 12.115 1.00 0.00 O ATOM 1026 CG2 THR A 71 -13.442 13.954 13.658 1.00 0.00 C ATOM 0 H THR A 71 -11.612 12.387 12.063 1.00 0.00 H new ATOM 0 HA THR A 71 -14.370 12.887 11.248 1.00 0.00 H new ATOM 0 HB THR A 71 -13.992 15.144 11.969 1.00 0.00 H new ATOM 0 HG1 THR A 71 -11.865 15.771 12.743 1.00 0.00 H new ATOM 0 HG21 THR A 71 -13.356 14.806 14.332 1.00 0.00 H new ATOM 0 HG22 THR A 71 -14.436 13.517 13.751 1.00 0.00 H new ATOM 0 HG23 THR A 71 -12.692 13.207 13.919 1.00 0.00 H new ATOM 1034 N HIS A 72 -13.764 14.541 9.236 1.00 0.00 N ATOM 1035 CA HIS A 72 -13.433 15.105 7.934 1.00 0.00 C ATOM 1036 C HIS A 72 -12.096 15.844 8.004 1.00 0.00 C ATOM 1037 O HIS A 72 -11.226 15.653 7.155 1.00 0.00 O ATOM 1038 CB HIS A 72 -14.552 16.049 7.471 1.00 0.00 C ATOM 1039 CG HIS A 72 -14.242 16.801 6.211 1.00 0.00 C ATOM 1040 ND1 HIS A 72 -14.063 18.125 5.991 1.00 0.00 N flip ATOM 1041 CD2 HIS A 72 -14.087 16.192 4.988 1.00 0.00 C flip ATOM 1042 CE1 HIS A 72 -13.805 18.293 4.652 1.00 0.00 C flip ATOM 1043 NE2 HIS A 72 -13.821 17.106 4.075 1.00 0.00 N flip ATOM 0 H HIS A 72 -14.660 14.845 9.616 1.00 0.00 H new ATOM 0 HA HIS A 72 -13.340 14.297 7.209 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -15.462 15.468 7.319 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -14.760 16.765 8.266 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -14.170 15.131 4.804 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -13.621 19.235 4.157 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -13.655 16.925 3.085 1.00 0.00 H new ATOM 1052 N GLN A 73 -11.937 16.659 9.041 1.00 0.00 N ATOM 1053 CA GLN A 73 -10.721 17.446 9.240 1.00 0.00 C ATOM 1054 C GLN A 73 -9.503 16.542 9.441 1.00 0.00 C ATOM 1055 O GLN A 73 -8.449 16.761 8.839 1.00 0.00 O ATOM 1056 CB GLN A 73 -10.903 18.364 10.450 1.00 0.00 C ATOM 1057 CG GLN A 73 -9.745 19.319 10.691 1.00 0.00 C ATOM 1058 CD GLN A 73 -9.944 20.151 11.942 1.00 0.00 C ATOM 1059 OE1 GLN A 73 -10.585 19.709 12.897 1.00 0.00 O ATOM 1060 NE2 GLN A 73 -9.402 21.356 11.951 1.00 0.00 N ATOM 0 H GLN A 73 -12.642 16.794 9.765 1.00 0.00 H new ATOM 0 HA GLN A 73 -10.545 18.046 8.347 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -11.816 18.945 10.317 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -11.043 17.750 11.339 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -8.819 18.751 10.777 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -9.635 19.979 9.831 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -8.878 21.686 11.140 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -9.507 21.956 12.769 1.00 0.00 H new ATOM 1069 N GLN A 74 -9.668 15.516 10.273 1.00 0.00 N ATOM 1070 CA GLN A 74 -8.585 14.587 10.591 1.00 0.00 C ATOM 1071 C GLN A 74 -8.041 13.903 9.341 1.00 0.00 C ATOM 1072 O GLN A 74 -6.828 13.812 9.149 1.00 0.00 O ATOM 1073 CB GLN A 74 -9.076 13.528 11.579 1.00 0.00 C ATOM 1074 CG GLN A 74 -9.188 14.026 13.008 1.00 0.00 C ATOM 1075 CD GLN A 74 -7.841 14.155 13.682 1.00 0.00 C ATOM 1076 OE1 GLN A 74 -7.194 15.201 13.621 1.00 0.00 O ATOM 1077 NE2 GLN A 74 -7.413 13.082 14.322 1.00 0.00 N ATOM 0 H GLN A 74 -10.549 15.306 10.743 1.00 0.00 H new ATOM 0 HA GLN A 74 -7.777 15.166 11.039 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -10.051 13.166 11.253 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -8.395 12.677 11.553 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -9.688 14.994 13.014 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -9.813 13.341 13.580 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -7.986 12.239 14.344 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -6.509 13.097 14.794 1.00 0.00 H new ATOM 1086 N VAL A 75 -8.940 13.424 8.494 1.00 0.00 N ATOM 1087 CA VAL A 75 -8.543 12.710 7.289 1.00 0.00 C ATOM 1088 C VAL A 75 -7.845 13.644 6.303 1.00 0.00 C ATOM 1089 O VAL A 75 -6.770 13.328 5.789 1.00 0.00 O ATOM 1090 CB VAL A 75 -9.755 12.049 6.599 1.00 0.00 C ATOM 1091 CG1 VAL A 75 -9.315 11.248 5.389 1.00 0.00 C ATOM 1092 CG2 VAL A 75 -10.509 11.161 7.576 1.00 0.00 C ATOM 0 H VAL A 75 -9.948 13.516 8.618 1.00 0.00 H new ATOM 0 HA VAL A 75 -7.847 11.929 7.596 1.00 0.00 H new ATOM 0 HB VAL A 75 -10.425 12.840 6.262 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -10.186 10.791 4.919 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -8.822 11.908 4.675 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -8.621 10.468 5.702 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -11.360 10.704 7.070 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -9.844 10.380 7.945 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -10.864 11.761 8.414 1.00 0.00 H new ATOM 1102 N VAL A 76 -8.445 14.809 6.072 1.00 0.00 N ATOM 1103 CA VAL A 76 -7.929 15.761 5.094 1.00 0.00 C ATOM 1104 C VAL A 76 -6.544 16.274 5.492 1.00 0.00 C ATOM 1105 O VAL A 76 -5.667 16.439 4.641 1.00 0.00 O ATOM 1106 CB VAL A 76 -8.901 16.951 4.902 1.00 0.00 C ATOM 1107 CG1 VAL A 76 -8.318 18.001 3.968 1.00 0.00 C ATOM 1108 CG2 VAL A 76 -10.232 16.458 4.356 1.00 0.00 C ATOM 0 H VAL A 76 -9.292 15.116 6.551 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.840 15.230 4.146 1.00 0.00 H new ATOM 0 HB VAL A 76 -9.057 17.413 5.877 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -9.026 18.822 3.856 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -7.385 18.381 4.385 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -8.124 17.553 2.993 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -10.907 17.304 4.225 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -10.072 15.969 3.395 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -10.672 15.748 5.056 1.00 0.00 H new ATOM 1118 N SER A 77 -6.346 16.502 6.786 1.00 0.00 N ATOM 1119 CA SER A 77 -5.068 16.991 7.286 1.00 0.00 C ATOM 1120 C SER A 77 -3.948 15.999 6.965 1.00 0.00 C ATOM 1121 O SER A 77 -2.874 16.392 6.508 1.00 0.00 O ATOM 1122 CB SER A 77 -5.147 17.236 8.796 1.00 0.00 C ATOM 1123 OG SER A 77 -3.965 17.852 9.283 1.00 0.00 O ATOM 0 H SER A 77 -7.054 16.356 7.506 1.00 0.00 H new ATOM 0 HA SER A 77 -4.842 17.935 6.790 1.00 0.00 H new ATOM 0 HB2 SER A 77 -6.007 17.868 9.019 1.00 0.00 H new ATOM 0 HB3 SER A 77 -5.305 16.289 9.312 1.00 0.00 H new ATOM 0 HG SER A 77 -4.046 17.997 10.249 1.00 0.00 H new ATOM 1129 N ARG A 78 -4.219 14.714 7.182 1.00 0.00 N ATOM 1130 CA ARG A 78 -3.243 13.663 6.914 1.00 0.00 C ATOM 1131 C ARG A 78 -2.880 13.601 5.433 1.00 0.00 C ATOM 1132 O ARG A 78 -1.718 13.414 5.079 1.00 0.00 O ATOM 1133 CB ARG A 78 -3.785 12.308 7.359 1.00 0.00 C ATOM 1134 CG ARG A 78 -4.000 12.189 8.854 1.00 0.00 C ATOM 1135 CD ARG A 78 -4.526 10.811 9.209 1.00 0.00 C ATOM 1136 NE ARG A 78 -4.608 10.594 10.650 1.00 0.00 N ATOM 1137 CZ ARG A 78 -5.735 10.660 11.353 1.00 0.00 C ATOM 1138 NH1 ARG A 78 -6.857 11.060 10.777 1.00 0.00 N ATOM 1139 NH2 ARG A 78 -5.745 10.348 12.641 1.00 0.00 N ATOM 0 H ARG A 78 -5.110 14.376 7.544 1.00 0.00 H new ATOM 0 HA ARG A 78 -2.343 13.902 7.481 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -4.731 12.122 6.851 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -3.093 11.529 7.039 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -3.062 12.372 9.378 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -4.705 12.950 9.187 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -5.514 10.679 8.769 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -3.877 10.054 8.768 1.00 0.00 H new ATOM 0 HE ARG A 78 -3.746 10.378 11.150 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -6.860 11.319 9.790 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -7.719 11.109 11.320 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -4.883 10.054 13.101 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -6.614 10.402 13.172 1.00 0.00 H new ATOM 1153 N ILE A 79 -3.882 13.757 4.574 1.00 0.00 N ATOM 1154 CA ILE A 79 -3.666 13.700 3.133 1.00 0.00 C ATOM 1155 C ILE A 79 -2.771 14.851 2.678 1.00 0.00 C ATOM 1156 O ILE A 79 -1.844 14.659 1.898 1.00 0.00 O ATOM 1157 CB ILE A 79 -5.003 13.750 2.356 1.00 0.00 C ATOM 1158 CG1 ILE A 79 -5.915 12.603 2.798 1.00 0.00 C ATOM 1159 CG2 ILE A 79 -4.759 13.683 0.852 1.00 0.00 C ATOM 1160 CD1 ILE A 79 -7.280 12.624 2.145 1.00 0.00 C ATOM 0 H ILE A 79 -4.850 13.924 4.850 1.00 0.00 H new ATOM 0 HA ILE A 79 -3.176 12.751 2.917 1.00 0.00 H new ATOM 0 HB ILE A 79 -5.494 14.697 2.580 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -5.428 11.655 2.570 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -6.039 12.646 3.880 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -5.713 13.720 0.327 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -4.143 14.528 0.545 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.246 12.753 0.608 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -7.870 11.782 2.507 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -7.788 13.556 2.394 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -7.167 12.550 1.063 1.00 0.00 H new ATOM 1172 N ARG A 80 -3.039 16.042 3.201 1.00 0.00 N ATOM 1173 CA ARG A 80 -2.286 17.235 2.825 1.00 0.00 C ATOM 1174 C ARG A 80 -0.858 17.195 3.365 1.00 0.00 C ATOM 1175 O ARG A 80 0.045 17.820 2.803 1.00 0.00 O ATOM 1176 CB ARG A 80 -2.987 18.491 3.343 1.00 0.00 C ATOM 1177 CG ARG A 80 -4.344 18.734 2.716 1.00 0.00 C ATOM 1178 CD ARG A 80 -5.014 19.971 3.291 1.00 0.00 C ATOM 1179 NE ARG A 80 -4.230 21.181 3.053 1.00 0.00 N ATOM 1180 CZ ARG A 80 -4.755 22.337 2.651 1.00 0.00 C ATOM 1181 NH1 ARG A 80 -6.058 22.434 2.418 1.00 0.00 N ATOM 1182 NH2 ARG A 80 -3.975 23.393 2.484 1.00 0.00 N ATOM 0 H ARG A 80 -3.774 16.208 3.889 1.00 0.00 H new ATOM 0 HA ARG A 80 -2.241 17.260 1.736 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -3.105 18.411 4.424 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -2.350 19.355 3.155 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -4.232 18.849 1.638 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -4.982 17.865 2.880 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -6.003 20.087 2.847 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -5.160 19.839 4.363 1.00 0.00 H new ATOM 0 HE ARG A 80 -3.222 21.138 3.204 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -6.661 21.621 2.547 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -6.456 23.321 2.110 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -2.973 23.321 2.663 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -4.375 24.279 2.176 1.00 0.00 H new ATOM 1196 N ALA A 81 -0.669 16.450 4.449 1.00 0.00 N ATOM 1197 CA ALA A 81 0.601 16.413 5.172 1.00 0.00 C ATOM 1198 C ALA A 81 1.730 15.799 4.347 1.00 0.00 C ATOM 1199 O ALA A 81 2.905 16.003 4.653 1.00 0.00 O ATOM 1200 CB ALA A 81 0.431 15.641 6.472 1.00 0.00 C ATOM 0 H ALA A 81 -1.391 15.854 4.853 1.00 0.00 H new ATOM 0 HA ALA A 81 0.883 17.445 5.382 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.380 15.616 7.007 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.321 16.131 7.090 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.112 14.622 6.251 1.00 0.00 H new ATOM 1206 N ALA A 82 1.374 15.052 3.312 1.00 0.00 N ATOM 1207 CA ALA A 82 2.363 14.381 2.482 1.00 0.00 C ATOM 1208 C ALA A 82 3.212 15.382 1.708 1.00 0.00 C ATOM 1209 O ALA A 82 2.696 16.318 1.091 1.00 0.00 O ATOM 1210 CB ALA A 82 1.680 13.417 1.533 1.00 0.00 C ATOM 0 H ALA A 82 0.407 14.895 3.027 1.00 0.00 H new ATOM 0 HA ALA A 82 3.030 13.821 3.138 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.430 12.921 0.917 1.00 0.00 H new ATOM 0 HB2 ALA A 82 1.129 12.671 2.106 1.00 0.00 H new ATOM 0 HB3 ALA A 82 0.989 13.965 0.893 1.00 0.00 H new ATOM 1216 N LEU A 83 4.518 15.159 1.733 1.00 0.00 N ATOM 1217 CA LEU A 83 5.475 16.070 1.121 1.00 0.00 C ATOM 1218 C LEU A 83 5.566 15.843 -0.381 1.00 0.00 C ATOM 1219 O LEU A 83 5.857 16.768 -1.139 1.00 0.00 O ATOM 1220 CB LEU A 83 6.853 15.881 1.755 1.00 0.00 C ATOM 1221 CG LEU A 83 6.916 16.142 3.261 1.00 0.00 C ATOM 1222 CD1 LEU A 83 8.295 15.804 3.801 1.00 0.00 C ATOM 1223 CD2 LEU A 83 6.564 17.592 3.561 1.00 0.00 C ATOM 0 H LEU A 83 4.943 14.345 2.176 1.00 0.00 H new ATOM 0 HA LEU A 83 5.130 17.089 1.293 1.00 0.00 H new ATOM 0 HB2 LEU A 83 7.187 14.861 1.565 1.00 0.00 H new ATOM 0 HB3 LEU A 83 7.559 16.545 1.257 1.00 0.00 H new ATOM 0 HG LEU A 83 6.187 15.500 3.756 1.00 0.00 H new ATOM 0 HD11 LEU A 83 8.323 15.995 4.874 1.00 0.00 H new ATOM 0 HD12 LEU A 83 8.511 14.752 3.614 1.00 0.00 H new ATOM 0 HD13 LEU A 83 9.042 16.422 3.303 1.00 0.00 H new ATOM 0 HD21 LEU A 83 6.613 17.763 4.636 1.00 0.00 H new ATOM 0 HD22 LEU A 83 7.271 18.250 3.056 1.00 0.00 H new ATOM 0 HD23 LEU A 83 5.555 17.803 3.206 1.00 0.00 H new ATOM 1235 N ASN A 84 5.324 14.611 -0.803 1.00 0.00 N ATOM 1236 CA ASN A 84 5.350 14.271 -2.219 1.00 0.00 C ATOM 1237 C ASN A 84 4.239 13.290 -2.553 1.00 0.00 C ATOM 1238 O ASN A 84 3.297 13.636 -3.261 1.00 0.00 O ATOM 1239 CB ASN A 84 6.708 13.681 -2.608 1.00 0.00 C ATOM 1240 CG ASN A 84 6.815 13.384 -4.093 1.00 0.00 C ATOM 1241 OD1 ASN A 84 6.522 12.275 -4.545 1.00 0.00 O ATOM 1242 ND2 ASN A 84 7.237 14.376 -4.862 1.00 0.00 N ATOM 0 H ASN A 84 5.107 13.829 -0.185 1.00 0.00 H new ATOM 0 HA ASN A 84 5.192 15.186 -2.790 1.00 0.00 H new ATOM 0 HB2 ASN A 84 7.497 14.377 -2.323 1.00 0.00 H new ATOM 0 HB3 ASN A 84 6.875 12.763 -2.045 1.00 0.00 H new ATOM 0 HD21 ASN A 84 7.330 14.237 -5.868 1.00 0.00 H new ATOM 0 HD22 ASN A 84 7.469 15.279 -4.448 1.00 0.00 H new ATOM 1249 N ALA A 85 4.343 12.076 -2.034 1.00 0.00 N ATOM 1250 CA ALA A 85 3.354 11.050 -2.309 1.00 0.00 C ATOM 1251 C ALA A 85 2.607 10.648 -1.045 1.00 0.00 C ATOM 1252 O ALA A 85 3.205 10.446 0.014 1.00 0.00 O ATOM 1253 CB ALA A 85 4.016 9.836 -2.945 1.00 0.00 C ATOM 0 H ALA A 85 5.102 11.779 -1.421 1.00 0.00 H new ATOM 0 HA ALA A 85 2.627 11.462 -3.009 1.00 0.00 H new ATOM 0 HB1 ALA A 85 3.263 9.074 -3.146 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.493 10.130 -3.880 1.00 0.00 H new ATOM 0 HB3 ALA A 85 4.767 9.433 -2.265 1.00 0.00 H new ATOM 1259 N VAL A 86 1.295 10.551 -1.162 1.00 0.00 N ATOM 1260 CA VAL A 86 0.455 10.089 -0.071 1.00 0.00 C ATOM 1261 C VAL A 86 -0.279 8.825 -0.500 1.00 0.00 C ATOM 1262 O VAL A 86 -0.853 8.775 -1.584 1.00 0.00 O ATOM 1263 CB VAL A 86 -0.564 11.176 0.367 1.00 0.00 C ATOM 1264 CG1 VAL A 86 -1.474 11.588 -0.779 1.00 0.00 C ATOM 1265 CG2 VAL A 86 -1.388 10.709 1.558 1.00 0.00 C ATOM 0 H VAL A 86 0.783 10.789 -2.012 1.00 0.00 H new ATOM 0 HA VAL A 86 1.094 9.874 0.786 1.00 0.00 H new ATOM 0 HB VAL A 86 0.012 12.051 0.668 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -2.173 12.350 -0.433 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.873 11.990 -1.594 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -2.030 10.720 -1.132 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.092 11.491 1.842 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.937 9.806 1.289 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -0.726 10.495 2.397 1.00 0.00 H new ATOM 1275 N ARG A 87 -0.229 7.788 0.324 1.00 0.00 N ATOM 1276 CA ARG A 87 -0.934 6.557 0.009 1.00 0.00 C ATOM 1277 C ARG A 87 -2.277 6.544 0.713 1.00 0.00 C ATOM 1278 O ARG A 87 -2.341 6.461 1.938 1.00 0.00 O ATOM 1279 CB ARG A 87 -0.130 5.313 0.418 1.00 0.00 C ATOM 1280 CG ARG A 87 1.182 5.120 -0.334 1.00 0.00 C ATOM 1281 CD ARG A 87 2.261 6.091 0.126 1.00 0.00 C ATOM 1282 NE ARG A 87 3.506 5.915 -0.619 1.00 0.00 N ATOM 1283 CZ ARG A 87 4.692 6.375 -0.218 1.00 0.00 C ATOM 1284 NH1 ARG A 87 4.798 7.039 0.928 1.00 0.00 N ATOM 1285 NH2 ARG A 87 5.774 6.161 -0.958 1.00 0.00 N ATOM 0 H ARG A 87 0.286 7.775 1.204 1.00 0.00 H new ATOM 0 HA ARG A 87 -1.074 6.524 -1.071 1.00 0.00 H new ATOM 0 HB2 ARG A 87 0.085 5.372 1.485 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -0.752 4.431 0.267 1.00 0.00 H new ATOM 0 HG2 ARG A 87 1.532 4.098 -0.192 1.00 0.00 H new ATOM 0 HG3 ARG A 87 1.009 5.252 -1.402 1.00 0.00 H new ATOM 0 HD2 ARG A 87 1.905 7.114 0.002 1.00 0.00 H new ATOM 0 HD3 ARG A 87 2.451 5.946 1.190 1.00 0.00 H new ATOM 0 HE ARG A 87 3.465 5.408 -1.503 1.00 0.00 H new ATOM 0 HH11 ARG A 87 3.971 7.198 1.504 1.00 0.00 H new ATOM 0 HH12 ARG A 87 5.706 7.390 1.232 1.00 0.00 H new ATOM 0 HH21 ARG A 87 5.699 5.644 -1.834 1.00 0.00 H new ATOM 0 HH22 ARG A 87 6.680 6.513 -0.650 1.00 0.00 H new ATOM 1299 N LEU A 88 -3.337 6.670 -0.061 1.00 0.00 N ATOM 1300 CA LEU A 88 -4.681 6.588 0.477 1.00 0.00 C ATOM 1301 C LEU A 88 -5.462 5.458 -0.180 1.00 0.00 C ATOM 1302 O LEU A 88 -5.544 5.371 -1.407 1.00 0.00 O ATOM 1303 CB LEU A 88 -5.411 7.933 0.350 1.00 0.00 C ATOM 1304 CG LEU A 88 -5.203 8.712 -0.954 1.00 0.00 C ATOM 1305 CD1 LEU A 88 -6.186 8.265 -2.022 1.00 0.00 C ATOM 1306 CD2 LEU A 88 -5.336 10.205 -0.701 1.00 0.00 C ATOM 0 H LEU A 88 -3.293 6.830 -1.067 1.00 0.00 H new ATOM 0 HA LEU A 88 -4.607 6.359 1.540 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -6.479 7.753 0.471 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.099 8.568 1.179 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.196 8.504 -1.317 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -6.015 8.835 -2.935 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.045 7.203 -2.225 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -7.205 8.436 -1.673 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.186 10.747 -1.635 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -6.331 10.421 -0.312 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.586 10.519 0.025 1.00 0.00 H new ATOM 1318 N LEU A 89 -5.993 4.568 0.635 1.00 0.00 N ATOM 1319 CA LEU A 89 -6.792 3.462 0.140 1.00 0.00 C ATOM 1320 C LEU A 89 -8.238 3.904 0.011 1.00 0.00 C ATOM 1321 O LEU A 89 -8.799 4.491 0.940 1.00 0.00 O ATOM 1322 CB LEU A 89 -6.702 2.268 1.088 1.00 0.00 C ATOM 1323 CG LEU A 89 -7.432 1.011 0.624 1.00 0.00 C ATOM 1324 CD1 LEU A 89 -6.706 0.378 -0.549 1.00 0.00 C ATOM 1325 CD2 LEU A 89 -7.573 0.024 1.767 1.00 0.00 C ATOM 0 H LEU A 89 -5.885 4.589 1.649 1.00 0.00 H new ATOM 0 HA LEU A 89 -6.410 3.160 -0.835 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -5.651 2.023 1.239 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -7.102 2.564 2.058 1.00 0.00 H new ATOM 0 HG LEU A 89 -8.432 1.293 0.294 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -7.240 -0.517 -0.867 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -6.662 1.087 -1.375 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -5.694 0.109 -0.248 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -8.096 -0.866 1.417 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -6.584 -0.256 2.130 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -8.140 0.483 2.576 1.00 0.00 H new ATOM 1337 N VAL A 90 -8.843 3.631 -1.132 1.00 0.00 N ATOM 1338 CA VAL A 90 -10.199 4.084 -1.381 1.00 0.00 C ATOM 1339 C VAL A 90 -11.079 2.979 -1.960 1.00 0.00 C ATOM 1340 O VAL A 90 -10.596 2.058 -2.627 1.00 0.00 O ATOM 1341 CB VAL A 90 -10.220 5.299 -2.335 1.00 0.00 C ATOM 1342 CG1 VAL A 90 -9.661 6.536 -1.648 1.00 0.00 C ATOM 1343 CG2 VAL A 90 -9.444 5.007 -3.613 1.00 0.00 C ATOM 0 H VAL A 90 -8.421 3.103 -1.896 1.00 0.00 H new ATOM 0 HA VAL A 90 -10.603 4.377 -0.412 1.00 0.00 H new ATOM 0 HB VAL A 90 -11.259 5.492 -2.603 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -9.686 7.379 -2.339 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -10.264 6.769 -0.770 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -8.632 6.348 -1.342 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -9.476 5.880 -4.265 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -8.408 4.777 -3.365 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -9.892 4.155 -4.124 1.00 0.00 H new ATOM 1353 N VAL A 91 -12.366 3.075 -1.657 1.00 0.00 N ATOM 1354 CA VAL A 91 -13.387 2.214 -2.239 1.00 0.00 C ATOM 1355 C VAL A 91 -14.713 2.977 -2.285 1.00 0.00 C ATOM 1356 O VAL A 91 -14.980 3.801 -1.411 1.00 0.00 O ATOM 1357 CB VAL A 91 -13.548 0.896 -1.440 1.00 0.00 C ATOM 1358 CG1 VAL A 91 -14.043 1.161 -0.025 1.00 0.00 C ATOM 1359 CG2 VAL A 91 -14.472 -0.069 -2.168 1.00 0.00 C ATOM 0 H VAL A 91 -12.734 3.758 -0.995 1.00 0.00 H new ATOM 0 HA VAL A 91 -13.080 1.941 -3.249 1.00 0.00 H new ATOM 0 HB VAL A 91 -12.564 0.433 -1.363 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -14.145 0.216 0.508 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -13.328 1.797 0.497 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -15.011 1.661 -0.066 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -14.570 -0.987 -1.588 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -15.453 0.389 -2.290 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -14.056 -0.302 -3.148 1.00 0.00 H new ATOM 1369 N ASP A 92 -15.532 2.727 -3.298 1.00 0.00 N ATOM 1370 CA ASP A 92 -16.843 3.370 -3.394 1.00 0.00 C ATOM 1371 C ASP A 92 -17.805 2.746 -2.389 1.00 0.00 C ATOM 1372 O ASP A 92 -17.663 1.581 -2.020 1.00 0.00 O ATOM 1373 CB ASP A 92 -17.416 3.240 -4.808 1.00 0.00 C ATOM 1374 CG ASP A 92 -17.625 1.804 -5.219 1.00 0.00 C ATOM 1375 OD1 ASP A 92 -16.679 1.196 -5.759 1.00 0.00 O ATOM 1376 OD2 ASP A 92 -18.732 1.275 -4.998 1.00 0.00 O ATOM 0 H ASP A 92 -15.317 2.088 -4.063 1.00 0.00 H new ATOM 0 HA ASP A 92 -16.719 4.429 -3.169 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -18.366 3.771 -4.861 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -16.741 3.722 -5.515 1.00 0.00 H new ATOM 1381 N PRO A 93 -18.807 3.530 -1.942 1.00 0.00 N ATOM 1382 CA PRO A 93 -19.732 3.128 -0.876 1.00 0.00 C ATOM 1383 C PRO A 93 -20.586 1.932 -1.258 1.00 0.00 C ATOM 1384 O PRO A 93 -21.006 1.167 -0.394 1.00 0.00 O ATOM 1385 CB PRO A 93 -20.625 4.359 -0.668 1.00 0.00 C ATOM 1386 CG PRO A 93 -19.918 5.483 -1.338 1.00 0.00 C ATOM 1387 CD PRO A 93 -19.124 4.873 -2.453 1.00 0.00 C ATOM 0 HA PRO A 93 -19.187 2.822 0.017 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -21.613 4.204 -1.101 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -20.770 4.564 0.393 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -20.628 6.216 -1.721 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -19.267 6.006 -0.637 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -19.698 4.827 -3.378 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -18.222 5.446 -2.666 1.00 0.00 H new ATOM 1395 N GLU A 94 -20.840 1.779 -2.551 1.00 0.00 N ATOM 1396 CA GLU A 94 -21.708 0.714 -3.031 1.00 0.00 C ATOM 1397 C GLU A 94 -20.997 -0.628 -2.946 1.00 0.00 C ATOM 1398 O GLU A 94 -21.553 -1.610 -2.447 1.00 0.00 O ATOM 1399 CB GLU A 94 -22.160 0.989 -4.463 1.00 0.00 C ATOM 1400 CG GLU A 94 -22.819 2.347 -4.625 1.00 0.00 C ATOM 1401 CD GLU A 94 -23.596 2.470 -5.914 1.00 0.00 C ATOM 1402 OE1 GLU A 94 -22.970 2.600 -6.984 1.00 0.00 O ATOM 1403 OE2 GLU A 94 -24.843 2.432 -5.860 1.00 0.00 O ATOM 0 H GLU A 94 -20.458 2.377 -3.284 1.00 0.00 H new ATOM 0 HA GLU A 94 -22.592 0.680 -2.395 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -21.299 0.927 -5.128 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -22.859 0.212 -4.773 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -23.489 2.523 -3.784 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -22.054 3.123 -4.591 1.00 0.00 H new ATOM 1410 N THR A 95 -19.764 -0.661 -3.424 1.00 0.00 N ATOM 1411 CA THR A 95 -18.957 -1.861 -3.359 1.00 0.00 C ATOM 1412 C THR A 95 -18.532 -2.138 -1.919 1.00 0.00 C ATOM 1413 O THR A 95 -18.424 -3.291 -1.508 1.00 0.00 O ATOM 1414 CB THR A 95 -17.719 -1.739 -4.265 1.00 0.00 C ATOM 1415 OG1 THR A 95 -18.124 -1.286 -5.563 1.00 0.00 O ATOM 1416 CG2 THR A 95 -17.002 -3.074 -4.401 1.00 0.00 C ATOM 0 H THR A 95 -19.301 0.135 -3.863 1.00 0.00 H new ATOM 0 HA THR A 95 -19.561 -2.696 -3.715 1.00 0.00 H new ATOM 0 HB THR A 95 -17.032 -1.024 -3.812 1.00 0.00 H new ATOM 0 HG1 THR A 95 -18.644 -0.460 -5.474 1.00 0.00 H new ATOM 0 HG21 THR A 95 -16.132 -2.956 -5.047 1.00 0.00 H new ATOM 0 HG22 THR A 95 -16.680 -3.416 -3.417 1.00 0.00 H new ATOM 0 HG23 THR A 95 -17.680 -3.808 -4.836 1.00 0.00 H new ATOM 1424 N ASP A 96 -18.342 -1.073 -1.141 1.00 0.00 N ATOM 1425 CA ASP A 96 -17.924 -1.202 0.259 1.00 0.00 C ATOM 1426 C ASP A 96 -18.931 -2.021 1.057 1.00 0.00 C ATOM 1427 O ASP A 96 -18.550 -2.845 1.891 1.00 0.00 O ATOM 1428 CB ASP A 96 -17.759 0.178 0.902 1.00 0.00 C ATOM 1429 CG ASP A 96 -17.517 0.106 2.402 1.00 0.00 C ATOM 1430 OD1 ASP A 96 -16.348 -0.062 2.818 1.00 0.00 O ATOM 1431 OD2 ASP A 96 -18.494 0.237 3.168 1.00 0.00 O ATOM 0 H ASP A 96 -18.470 -0.111 -1.454 1.00 0.00 H new ATOM 0 HA ASP A 96 -16.964 -1.719 0.271 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -16.925 0.697 0.429 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -18.653 0.772 0.711 1.00 0.00 H new ATOM 1436 N GLU A 97 -20.210 -1.814 0.779 1.00 0.00 N ATOM 1437 CA GLU A 97 -21.270 -2.544 1.459 1.00 0.00 C ATOM 1438 C GLU A 97 -21.147 -4.044 1.206 1.00 0.00 C ATOM 1439 O GLU A 97 -21.421 -4.860 2.090 1.00 0.00 O ATOM 1440 CB GLU A 97 -22.639 -2.043 1.012 1.00 0.00 C ATOM 1441 CG GLU A 97 -22.896 -0.588 1.362 1.00 0.00 C ATOM 1442 CD GLU A 97 -24.316 -0.170 1.058 1.00 0.00 C ATOM 1443 OE1 GLU A 97 -24.588 0.252 -0.084 1.00 0.00 O ATOM 1444 OE2 GLU A 97 -25.175 -0.280 1.956 1.00 0.00 O ATOM 0 H GLU A 97 -20.540 -1.144 0.084 1.00 0.00 H new ATOM 0 HA GLU A 97 -21.167 -2.367 2.530 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -22.729 -2.170 -0.067 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -23.411 -2.661 1.471 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -22.691 -0.429 2.421 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -22.205 0.045 0.805 1.00 0.00 H new ATOM 1451 N GLN A 98 -20.736 -4.403 -0.005 1.00 0.00 N ATOM 1452 CA GLN A 98 -20.472 -5.796 -0.335 1.00 0.00 C ATOM 1453 C GLN A 98 -19.214 -6.235 0.402 1.00 0.00 C ATOM 1454 O GLN A 98 -19.203 -7.272 1.056 1.00 0.00 O ATOM 1455 CB GLN A 98 -20.288 -5.959 -1.854 1.00 0.00 C ATOM 1456 CG GLN A 98 -20.655 -7.337 -2.414 1.00 0.00 C ATOM 1457 CD GLN A 98 -19.741 -8.465 -1.976 1.00 0.00 C ATOM 1458 OE1 GLN A 98 -18.722 -8.731 -2.606 1.00 0.00 O ATOM 1459 NE2 GLN A 98 -20.125 -9.163 -0.918 1.00 0.00 N ATOM 0 H GLN A 98 -20.579 -3.749 -0.772 1.00 0.00 H new ATOM 0 HA GLN A 98 -21.315 -6.416 -0.030 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -20.894 -5.207 -2.359 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -19.247 -5.750 -2.102 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -21.675 -7.576 -2.112 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -20.649 -7.285 -3.503 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -20.979 -8.909 -0.422 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -19.566 -9.955 -0.599 1.00 0.00 H new ATOM 1468 N LEU A 99 -18.181 -5.394 0.342 1.00 0.00 N ATOM 1469 CA LEU A 99 -16.874 -5.702 0.930 1.00 0.00 C ATOM 1470 C LEU A 99 -16.985 -5.993 2.424 1.00 0.00 C ATOM 1471 O LEU A 99 -16.233 -6.805 2.959 1.00 0.00 O ATOM 1472 CB LEU A 99 -15.892 -4.551 0.713 1.00 0.00 C ATOM 1473 CG LEU A 99 -15.674 -4.126 -0.741 1.00 0.00 C ATOM 1474 CD1 LEU A 99 -14.279 -3.562 -0.906 1.00 0.00 C ATOM 1475 CD2 LEU A 99 -15.900 -5.288 -1.699 1.00 0.00 C ATOM 0 H LEU A 99 -18.225 -4.483 -0.114 1.00 0.00 H new ATOM 0 HA LEU A 99 -16.502 -6.594 0.426 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -16.245 -3.687 1.275 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -14.929 -4.835 1.137 1.00 0.00 H new ATOM 0 HG LEU A 99 -16.403 -3.354 -0.986 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -14.129 -3.261 -1.943 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -14.157 -2.696 -0.255 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -13.545 -4.322 -0.639 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -15.737 -4.952 -2.723 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -15.203 -6.093 -1.466 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -16.922 -5.652 -1.595 1.00 0.00 H new ATOM 1487 N GLN A 100 -17.912 -5.311 3.086 1.00 0.00 N ATOM 1488 CA GLN A 100 -18.187 -5.541 4.501 1.00 0.00 C ATOM 1489 C GLN A 100 -18.595 -6.992 4.754 1.00 0.00 C ATOM 1490 O GLN A 100 -18.276 -7.563 5.797 1.00 0.00 O ATOM 1491 CB GLN A 100 -19.291 -4.603 4.996 1.00 0.00 C ATOM 1492 CG GLN A 100 -18.909 -3.130 4.991 1.00 0.00 C ATOM 1493 CD GLN A 100 -20.041 -2.241 5.474 1.00 0.00 C ATOM 1494 OE1 GLN A 100 -20.866 -2.656 6.293 1.00 0.00 O ATOM 1495 NE2 GLN A 100 -20.097 -1.020 4.973 1.00 0.00 N ATOM 0 H GLN A 100 -18.492 -4.587 2.661 1.00 0.00 H new ATOM 0 HA GLN A 100 -17.269 -5.335 5.052 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -20.174 -4.739 4.372 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -19.569 -4.891 6.010 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -18.036 -2.981 5.627 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -18.623 -2.834 3.982 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -19.397 -0.713 4.298 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -20.841 -0.384 5.261 1.00 0.00 H new ATOM 1504 N LYS A 101 -19.305 -7.577 3.794 1.00 0.00 N ATOM 1505 CA LYS A 101 -19.775 -8.953 3.908 1.00 0.00 C ATOM 1506 C LYS A 101 -18.604 -9.931 3.833 1.00 0.00 C ATOM 1507 O LYS A 101 -18.622 -10.980 4.476 1.00 0.00 O ATOM 1508 CB LYS A 101 -20.787 -9.274 2.802 1.00 0.00 C ATOM 1509 CG LYS A 101 -21.955 -8.299 2.717 1.00 0.00 C ATOM 1510 CD LYS A 101 -22.769 -8.279 4.000 1.00 0.00 C ATOM 1511 CE LYS A 101 -23.968 -7.349 3.886 1.00 0.00 C ATOM 1512 NZ LYS A 101 -23.566 -5.935 3.649 1.00 0.00 N ATOM 0 H LYS A 101 -19.569 -7.116 2.923 1.00 0.00 H new ATOM 0 HA LYS A 101 -20.264 -9.060 4.876 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -20.268 -9.285 1.843 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -21.179 -10.278 2.964 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -21.578 -7.297 2.510 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -22.599 -8.576 1.882 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -23.111 -9.288 4.231 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -22.137 -7.959 4.828 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -24.608 -7.684 3.070 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -24.559 -7.408 4.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -24.414 -5.334 3.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -22.949 -5.615 4.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -23.054 -5.866 2.746 1.00 0.00 H new ATOM 1526 N LEU A 102 -17.594 -9.586 3.041 1.00 0.00 N ATOM 1527 CA LEU A 102 -16.396 -10.414 2.930 1.00 0.00 C ATOM 1528 C LEU A 102 -15.458 -10.106 4.088 1.00 0.00 C ATOM 1529 O LEU A 102 -15.272 -10.934 4.978 1.00 0.00 O ATOM 1530 CB LEU A 102 -15.670 -10.172 1.598 1.00 0.00 C ATOM 1531 CG LEU A 102 -16.561 -10.183 0.356 1.00 0.00 C ATOM 1532 CD1 LEU A 102 -16.924 -8.779 -0.039 1.00 0.00 C ATOM 1533 CD2 LEU A 102 -15.881 -10.871 -0.803 1.00 0.00 C ATOM 0 H LEU A 102 -17.580 -8.742 2.468 1.00 0.00 H new ATOM 0 HA LEU A 102 -16.699 -11.460 2.964 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -15.160 -9.210 1.651 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -14.900 -10.934 1.479 1.00 0.00 H new ATOM 0 HG LEU A 102 -17.466 -10.738 0.605 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -17.559 -8.803 -0.925 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -17.461 -8.298 0.779 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -16.016 -8.216 -0.258 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -16.541 -10.861 -1.670 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -14.956 -10.347 -1.045 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -15.654 -11.902 -0.532 1.00 0.00 H new ATOM 1545 N GLY A 103 -14.887 -8.906 4.080 1.00 0.00 N ATOM 1546 CA GLY A 103 -13.992 -8.489 5.145 1.00 0.00 C ATOM 1547 C GLY A 103 -12.852 -9.463 5.386 1.00 0.00 C ATOM 1548 O GLY A 103 -12.422 -9.655 6.524 1.00 0.00 O ATOM 0 H GLY A 103 -15.030 -8.209 3.349 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -13.579 -7.510 4.901 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -14.563 -8.374 6.066 1.00 0.00 H new ATOM 1552 N VAL A 104 -12.352 -10.069 4.314 1.00 0.00 N ATOM 1553 CA VAL A 104 -11.264 -11.036 4.420 1.00 0.00 C ATOM 1554 C VAL A 104 -9.925 -10.310 4.567 1.00 0.00 C ATOM 1555 O VAL A 104 -9.032 -10.439 3.729 1.00 0.00 O ATOM 1556 CB VAL A 104 -11.223 -11.984 3.196 1.00 0.00 C ATOM 1557 CG1 VAL A 104 -10.261 -13.140 3.435 1.00 0.00 C ATOM 1558 CG2 VAL A 104 -12.618 -12.506 2.876 1.00 0.00 C ATOM 0 H VAL A 104 -12.682 -9.908 3.362 1.00 0.00 H new ATOM 0 HA VAL A 104 -11.444 -11.643 5.307 1.00 0.00 H new ATOM 0 HB VAL A 104 -10.862 -11.415 2.339 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -10.250 -13.791 2.561 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -9.258 -12.749 3.608 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -10.585 -13.708 4.307 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -12.569 -13.170 2.013 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -13.007 -13.054 3.734 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -13.277 -11.668 2.651 1.00 0.00 H new ATOM 1568 N GLN A 105 -9.819 -9.521 5.638 1.00 0.00 N ATOM 1569 CA GLN A 105 -8.619 -8.739 5.945 1.00 0.00 C ATOM 1570 C GLN A 105 -8.196 -7.870 4.763 1.00 0.00 C ATOM 1571 O GLN A 105 -7.025 -7.528 4.611 1.00 0.00 O ATOM 1572 CB GLN A 105 -7.469 -9.659 6.372 1.00 0.00 C ATOM 1573 CG GLN A 105 -7.809 -10.537 7.569 1.00 0.00 C ATOM 1574 CD GLN A 105 -8.353 -9.743 8.744 1.00 0.00 C ATOM 1575 OE1 GLN A 105 -7.993 -8.580 8.952 1.00 0.00 O ATOM 1576 NE2 GLN A 105 -9.239 -10.361 9.507 1.00 0.00 N ATOM 0 H GLN A 105 -10.568 -9.406 6.321 1.00 0.00 H new ATOM 0 HA GLN A 105 -8.863 -8.075 6.774 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -7.191 -10.295 5.532 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -6.597 -9.051 6.613 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -8.544 -11.284 7.269 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -6.916 -11.077 7.883 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -9.508 -11.323 9.299 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -9.653 -9.876 10.303 1.00 0.00 H new ATOM 1585 N VAL A 106 -9.163 -7.489 3.945 1.00 0.00 N ATOM 1586 CA VAL A 106 -8.885 -6.751 2.726 1.00 0.00 C ATOM 1587 C VAL A 106 -8.706 -5.255 3.010 1.00 0.00 C ATOM 1588 O VAL A 106 -8.430 -4.469 2.108 1.00 0.00 O ATOM 1589 CB VAL A 106 -10.007 -6.973 1.685 1.00 0.00 C ATOM 1590 CG1 VAL A 106 -11.233 -6.122 1.992 1.00 0.00 C ATOM 1591 CG2 VAL A 106 -9.495 -6.725 0.275 1.00 0.00 C ATOM 0 H VAL A 106 -10.152 -7.680 4.105 1.00 0.00 H new ATOM 0 HA VAL A 106 -7.949 -7.130 2.315 1.00 0.00 H new ATOM 0 HB VAL A 106 -10.317 -8.016 1.749 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -12.000 -6.304 1.240 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -11.621 -6.384 2.976 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -10.956 -5.068 1.980 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -10.302 -6.887 -0.439 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -9.139 -5.698 0.193 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -8.676 -7.411 0.059 1.00 0.00 H new ATOM 1601 N ARG A 107 -8.857 -4.873 4.276 1.00 0.00 N ATOM 1602 CA ARG A 107 -8.753 -3.469 4.667 1.00 0.00 C ATOM 1603 C ARG A 107 -7.303 -2.983 4.606 1.00 0.00 C ATOM 1604 O ARG A 107 -7.058 -1.803 4.372 1.00 0.00 O ATOM 1605 CB ARG A 107 -9.341 -3.252 6.066 1.00 0.00 C ATOM 1606 CG ARG A 107 -10.859 -3.387 6.117 1.00 0.00 C ATOM 1607 CD ARG A 107 -11.540 -2.240 5.383 1.00 0.00 C ATOM 1608 NE ARG A 107 -12.965 -2.493 5.153 1.00 0.00 N ATOM 1609 CZ ARG A 107 -13.822 -1.580 4.686 1.00 0.00 C ATOM 1610 NH1 ARG A 107 -13.457 -0.308 4.583 1.00 0.00 N ATOM 1611 NH2 ARG A 107 -15.065 -1.925 4.380 1.00 0.00 N ATOM 0 H ARG A 107 -9.051 -5.513 5.046 1.00 0.00 H new ATOM 0 HA ARG A 107 -9.332 -2.879 3.956 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -8.897 -3.972 6.753 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -9.061 -2.260 6.419 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -11.157 -4.336 5.671 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -11.190 -3.405 7.155 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -11.425 -1.323 5.961 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -11.043 -2.078 4.426 1.00 0.00 H new ATOM 0 HE ARG A 107 -13.325 -3.424 5.362 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -12.518 -0.023 4.861 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -14.116 0.384 4.226 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -15.371 -2.891 4.501 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -15.716 -1.225 4.024 1.00 0.00 H new ATOM 1625 N GLU A 108 -6.349 -3.891 4.820 1.00 0.00 N ATOM 1626 CA GLU A 108 -4.929 -3.546 4.715 1.00 0.00 C ATOM 1627 C GLU A 108 -4.072 -4.803 4.553 1.00 0.00 C ATOM 1628 O GLU A 108 -3.144 -4.828 3.745 1.00 0.00 O ATOM 1629 CB GLU A 108 -4.491 -2.742 5.951 1.00 0.00 C ATOM 1630 CG GLU A 108 -3.424 -1.688 5.663 1.00 0.00 C ATOM 1631 CD GLU A 108 -2.003 -2.193 5.839 1.00 0.00 C ATOM 1632 OE1 GLU A 108 -1.468 -2.092 6.964 1.00 0.00 O ATOM 1633 OE2 GLU A 108 -1.399 -2.667 4.856 1.00 0.00 O ATOM 0 H GLU A 108 -6.531 -4.864 5.065 1.00 0.00 H new ATOM 0 HA GLU A 108 -4.786 -2.930 3.828 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -5.365 -2.251 6.380 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -4.111 -3.432 6.704 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -3.548 -1.328 4.642 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -3.581 -0.835 6.323 1.00 0.00 H new ATOM 1640 N GLU A 109 -4.410 -5.857 5.292 1.00 0.00 N ATOM 1641 CA GLU A 109 -3.624 -7.093 5.274 1.00 0.00 C ATOM 1642 C GLU A 109 -3.550 -7.694 3.868 1.00 0.00 C ATOM 1643 O GLU A 109 -2.470 -8.017 3.371 1.00 0.00 O ATOM 1644 CB GLU A 109 -4.230 -8.123 6.230 1.00 0.00 C ATOM 1645 CG GLU A 109 -4.374 -7.633 7.662 1.00 0.00 C ATOM 1646 CD GLU A 109 -3.046 -7.312 8.310 1.00 0.00 C ATOM 1647 OE1 GLU A 109 -2.241 -8.244 8.515 1.00 0.00 O ATOM 1648 OE2 GLU A 109 -2.797 -6.129 8.613 1.00 0.00 O ATOM 0 H GLU A 109 -5.221 -5.882 5.910 1.00 0.00 H new ATOM 0 HA GLU A 109 -2.614 -6.840 5.596 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -5.212 -8.415 5.857 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -3.608 -9.018 6.225 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -5.003 -6.743 7.675 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -4.886 -8.394 8.251 1.00 0.00 H new ATOM 1655 N LEU A 110 -4.705 -7.829 3.228 1.00 0.00 N ATOM 1656 CA LEU A 110 -4.787 -8.428 1.901 1.00 0.00 C ATOM 1657 C LEU A 110 -4.228 -7.469 0.852 1.00 0.00 C ATOM 1658 O LEU A 110 -3.709 -7.897 -0.180 1.00 0.00 O ATOM 1659 CB LEU A 110 -6.247 -8.798 1.592 1.00 0.00 C ATOM 1660 CG LEU A 110 -6.478 -9.743 0.403 1.00 0.00 C ATOM 1661 CD1 LEU A 110 -7.812 -10.454 0.560 1.00 0.00 C ATOM 1662 CD2 LEU A 110 -6.452 -8.986 -0.918 1.00 0.00 C ATOM 0 H LEU A 110 -5.603 -7.530 3.609 1.00 0.00 H new ATOM 0 HA LEU A 110 -4.186 -9.337 1.876 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -6.678 -9.257 2.482 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -6.801 -7.877 1.409 1.00 0.00 H new ATOM 0 HG LEU A 110 -5.671 -10.475 0.392 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -7.970 -11.123 -0.286 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -7.809 -11.032 1.484 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -8.615 -9.718 0.595 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -6.618 -9.682 -1.740 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -7.236 -8.229 -0.919 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -5.482 -8.504 -1.042 1.00 0.00 H new ATOM 1850 N THR B 3 -14.222 21.491 0.728 1.00 0.00 N ATOM 1851 CA THR B 3 -12.985 22.122 0.301 1.00 0.00 C ATOM 1852 C THR B 3 -12.381 21.394 -0.907 1.00 0.00 C ATOM 1853 O THR B 3 -13.006 20.509 -1.501 1.00 0.00 O ATOM 1854 CB THR B 3 -11.970 22.157 1.473 1.00 0.00 C ATOM 1855 OG1 THR B 3 -10.833 22.963 1.137 1.00 0.00 O ATOM 1856 CG2 THR B 3 -11.508 20.753 1.844 1.00 0.00 C ATOM 0 HA THR B 3 -13.212 23.144 -0.002 1.00 0.00 H new ATOM 0 HB THR B 3 -12.478 22.596 2.332 1.00 0.00 H new ATOM 0 HG1 THR B 3 -11.127 23.750 0.632 1.00 0.00 H new ATOM 0 HG21 THR B 3 -10.797 20.810 2.668 1.00 0.00 H new ATOM 0 HG22 THR B 3 -12.368 20.155 2.147 1.00 0.00 H new ATOM 0 HG23 THR B 3 -11.028 20.288 0.983 1.00 0.00 H new ATOM 1864 N ARG B 4 -11.173 21.794 -1.272 1.00 0.00 N ATOM 1865 CA ARG B 4 -10.450 21.204 -2.387 1.00 0.00 C ATOM 1866 C ARG B 4 -9.068 20.770 -1.929 1.00 0.00 C ATOM 1867 O ARG B 4 -8.411 21.484 -1.169 1.00 0.00 O ATOM 1868 CB ARG B 4 -10.329 22.216 -3.531 1.00 0.00 C ATOM 1869 CG ARG B 4 -9.394 21.785 -4.655 1.00 0.00 C ATOM 1870 CD ARG B 4 -9.238 22.894 -5.680 1.00 0.00 C ATOM 1871 NE ARG B 4 -8.175 22.630 -6.647 1.00 0.00 N ATOM 1872 CZ ARG B 4 -7.270 23.541 -7.011 1.00 0.00 C ATOM 1873 NH1 ARG B 4 -7.275 24.746 -6.445 1.00 0.00 N ATOM 1874 NH2 ARG B 4 -6.355 23.248 -7.926 1.00 0.00 N ATOM 0 H ARG B 4 -10.664 22.541 -0.800 1.00 0.00 H new ATOM 0 HA ARG B 4 -10.998 20.333 -2.746 1.00 0.00 H new ATOM 0 HB2 ARG B 4 -11.320 22.396 -3.948 1.00 0.00 H new ATOM 0 HB3 ARG B 4 -9.977 23.165 -3.125 1.00 0.00 H new ATOM 0 HG2 ARG B 4 -8.419 21.524 -4.243 1.00 0.00 H new ATOM 0 HG3 ARG B 4 -9.786 20.890 -5.138 1.00 0.00 H new ATOM 0 HD2 ARG B 4 -10.181 23.026 -6.211 1.00 0.00 H new ATOM 0 HD3 ARG B 4 -9.029 23.831 -5.165 1.00 0.00 H new ATOM 0 HE ARG B 4 -8.122 21.701 -7.066 1.00 0.00 H new ATOM 0 HH11 ARG B 4 -7.970 24.972 -5.734 1.00 0.00 H new ATOM 0 HH12 ARG B 4 -6.584 25.443 -6.723 1.00 0.00 H new ATOM 0 HH21 ARG B 4 -6.341 22.323 -8.355 1.00 0.00 H new ATOM 0 HH22 ARG B 4 -5.666 23.948 -8.200 1.00 0.00 H new ATOM 1888 N LEU B 5 -8.641 19.605 -2.381 1.00 0.00 N ATOM 1889 CA LEU B 5 -7.321 19.106 -2.072 1.00 0.00 C ATOM 1890 C LEU B 5 -6.404 19.324 -3.258 1.00 0.00 C ATOM 1891 O LEU B 5 -5.746 20.375 -3.324 1.00 0.00 O ATOM 1892 CB LEU B 5 -7.388 17.619 -1.714 1.00 0.00 C ATOM 1893 CG LEU B 5 -7.953 17.319 -0.324 1.00 0.00 C ATOM 1894 CD1 LEU B 5 -8.020 15.823 -0.078 1.00 0.00 C ATOM 1895 CD2 LEU B 5 -7.107 17.992 0.739 1.00 0.00 C ATOM 1896 OXT LEU B 5 -6.362 18.441 -4.129 1.00 0.00 O ATOM 0 H LEU B 5 -9.198 18.984 -2.968 1.00 0.00 H new ATOM 0 HA LEU B 5 -6.925 19.648 -1.214 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -7.999 17.108 -2.458 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -6.385 17.198 -1.782 1.00 0.00 H new ATOM 0 HG LEU B 5 -8.967 17.716 -0.272 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -8.425 15.636 0.917 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -8.664 15.360 -0.825 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -7.019 15.398 -0.148 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -7.518 17.772 1.724 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -6.085 17.619 0.681 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -7.109 19.070 0.577 1.00 0.00 H new