USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 811 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 54 ASN : amide:sc= -1.59! C(o=-1.6!,f=-9.8!) USER MOD Set 1.2: A 56 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 49 GLN : amide:sc= -4.19! C(o=-4.4!,f=-11!) USER MOD Set 2.2: A 95 THR OG1 : rot 121:sc= -0.248 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HE2:sc= -8.39! C(o=-8.4!,f=-3.6!) USER MOD Single : A 17 TYR OH : rot -15:sc= -2.13! USER MOD Single : A 18 CYS SG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot -48:sc= -1.96! USER MOD Single : A 23 CYS SG : rot 180:sc= -0.947 USER MOD Single : A 24 GLN : amide:sc= -0.0152 X(o=-0.015,f=-0.021) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.713 USER MOD Single : A 46 CYS SG : rot 10:sc= 0.0909 USER MOD Single : A 47 TYR OH : rot -146:sc= -0.0157 USER MOD Single : A 51 SER OG : rot -1:sc= 0.883 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.0027) USER MOD Single : A 63 THR OG1 : rot 120:sc= 0.712 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.156 K(o=-0.16,f=-1.6!) USER MOD Single : A 71 HIS : no HD1:sc= -1.15! C(o=-1.1!,f=-8.3!) USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.393 USER MOD Single : A 73 THR OG1 : rot 180:sc=0.000222 USER MOD Single : A 89 THR OG1 : rot 71:sc= -1.52 USER MOD Single : A 91 THR OG1 : rot 180:sc= -1.07! USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.00108 USER MOD Single : A 99 CYS SG : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot 105:sc= 1.19 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 126 GLN : amide:sc= -2.63 K(o=-2.6,f=-7.3!) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 132 N ALA A 12 13.828 15.523 -4.840 1.00 0.00 N ATOM 133 CA ALA A 12 13.053 14.919 -3.770 1.00 0.00 C ATOM 134 C ALA A 12 12.386 13.642 -4.288 1.00 0.00 C ATOM 135 O ALA A 12 12.112 13.521 -5.481 1.00 0.00 O ATOM 136 CB ALA A 12 12.038 15.933 -3.240 1.00 0.00 C ATOM 0 HA ALA A 12 13.699 14.640 -2.938 1.00 0.00 H new ATOM 0 HB1 ALA A 12 11.456 15.480 -2.437 1.00 0.00 H new ATOM 0 HB2 ALA A 12 12.564 16.808 -2.858 1.00 0.00 H new ATOM 0 HB3 ALA A 12 11.370 16.234 -4.047 1.00 0.00 H new ATOM 142 N PRO A 13 12.139 12.699 -3.340 1.00 0.00 N ATOM 143 CA PRO A 13 11.510 11.436 -3.688 1.00 0.00 C ATOM 144 C PRO A 13 10.013 11.622 -3.944 1.00 0.00 C ATOM 145 O PRO A 13 9.284 12.096 -3.074 1.00 0.00 O ATOM 146 CB PRO A 13 11.802 10.515 -2.515 1.00 0.00 C ATOM 147 CG PRO A 13 12.179 11.423 -1.356 1.00 0.00 C ATOM 148 CD PRO A 13 12.450 12.808 -1.918 1.00 0.00 C ATOM 0 HA PRO A 13 11.898 11.014 -4.615 1.00 0.00 H new ATOM 0 HB2 PRO A 13 10.931 9.908 -2.268 1.00 0.00 H new ATOM 0 HB3 PRO A 13 12.613 9.826 -2.752 1.00 0.00 H new ATOM 0 HG2 PRO A 13 11.374 11.460 -0.622 1.00 0.00 H new ATOM 0 HG3 PRO A 13 13.061 11.040 -0.842 1.00 0.00 H new ATOM 0 HD2 PRO A 13 11.828 13.561 -1.433 1.00 0.00 H new ATOM 0 HD3 PRO A 13 13.488 13.103 -1.761 1.00 0.00 H new ATOM 156 N LYS A 14 9.598 11.238 -5.142 1.00 0.00 N ATOM 157 CA LYS A 14 8.201 11.356 -5.524 1.00 0.00 C ATOM 158 C LYS A 14 7.561 9.966 -5.537 1.00 0.00 C ATOM 159 O LYS A 14 8.214 8.981 -5.877 1.00 0.00 O ATOM 160 CB LYS A 14 8.069 12.105 -6.851 1.00 0.00 C ATOM 161 CG LYS A 14 7.518 13.516 -6.632 1.00 0.00 C ATOM 162 CD LYS A 14 6.887 14.063 -7.914 1.00 0.00 C ATOM 163 CE LYS A 14 7.889 14.911 -8.700 1.00 0.00 C ATOM 164 NZ LYS A 14 7.494 16.337 -8.674 1.00 0.00 N ATOM 0 H LYS A 14 10.205 10.845 -5.861 1.00 0.00 H new ATOM 0 HA LYS A 14 7.656 11.952 -4.792 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.042 12.162 -7.339 1.00 0.00 H new ATOM 0 HB3 LYS A 14 7.409 11.553 -7.520 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.775 13.500 -5.835 1.00 0.00 H new ATOM 0 HG3 LYS A 14 8.321 14.177 -6.307 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.540 13.236 -8.534 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.013 14.664 -7.665 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.885 14.796 -8.273 1.00 0.00 H new ATOM 0 HE3 LYS A 14 7.941 14.561 -9.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.185 16.898 -9.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 6.552 16.444 -9.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.467 16.672 -7.690 1.00 0.00 H new ATOM 178 N LEU A 15 6.290 9.931 -5.162 1.00 0.00 N ATOM 179 CA LEU A 15 5.555 8.679 -5.126 1.00 0.00 C ATOM 180 C LEU A 15 4.130 8.914 -5.630 1.00 0.00 C ATOM 181 O LEU A 15 3.329 9.563 -4.960 1.00 0.00 O ATOM 182 CB LEU A 15 5.618 8.060 -3.727 1.00 0.00 C ATOM 183 CG LEU A 15 4.526 7.041 -3.395 1.00 0.00 C ATOM 184 CD1 LEU A 15 4.417 5.978 -4.490 1.00 0.00 C ATOM 185 CD2 LEU A 15 4.756 6.422 -2.015 1.00 0.00 C ATOM 0 H LEU A 15 5.751 10.750 -4.881 1.00 0.00 H new ATOM 0 HA LEU A 15 6.014 7.949 -5.793 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.587 7.576 -3.609 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.572 8.864 -2.993 1.00 0.00 H new ATOM 0 HG LEU A 15 3.570 7.564 -3.358 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.634 5.266 -4.229 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.172 6.456 -5.438 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.368 5.453 -4.584 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.966 5.701 -1.803 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.722 5.917 -1.999 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.744 7.206 -1.258 1.00 0.00 H new ATOM 197 N HIS A 16 3.857 8.373 -6.809 1.00 0.00 N ATOM 198 CA HIS A 16 2.543 8.517 -7.412 1.00 0.00 C ATOM 199 C HIS A 16 1.621 7.407 -6.902 1.00 0.00 C ATOM 200 O HIS A 16 2.053 6.269 -6.723 1.00 0.00 O ATOM 201 CB HIS A 16 2.645 8.548 -8.938 1.00 0.00 C ATOM 202 CG HIS A 16 1.419 9.100 -9.625 1.00 0.00 C ATOM 203 ND1 HIS A 16 0.598 8.328 -10.428 1.00 0.00 N ATOM 204 CD2 HIS A 16 0.882 10.354 -9.618 1.00 0.00 C ATOM 205 CE1 HIS A 16 -0.384 9.093 -10.881 1.00 0.00 C ATOM 206 NE2 HIS A 16 -0.206 10.348 -10.378 1.00 0.00 N ATOM 0 H HIS A 16 4.524 7.834 -7.362 1.00 0.00 H new ATOM 0 HA HIS A 16 2.106 9.471 -7.116 1.00 0.00 H new ATOM 0 HB2 HIS A 16 3.509 9.149 -9.222 1.00 0.00 H new ATOM 0 HB3 HIS A 16 2.827 7.536 -9.300 1.00 0.00 H new ATOM 0 HD1 HIS A 16 0.727 7.338 -10.636 1.00 0.00 H new ATOM 0 HD2 HIS A 16 1.275 11.207 -9.085 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -1.185 8.778 -11.534 1.00 0.00 H new ATOM 214 N TYR A 17 0.368 7.777 -6.682 1.00 0.00 N ATOM 215 CA TYR A 17 -0.619 6.828 -6.197 1.00 0.00 C ATOM 216 C TYR A 17 -2.039 7.307 -6.504 1.00 0.00 C ATOM 217 O TYR A 17 -2.339 8.493 -6.380 1.00 0.00 O ATOM 218 CB TYR A 17 -0.433 6.765 -4.679 1.00 0.00 C ATOM 219 CG TYR A 17 -0.357 8.136 -4.004 1.00 0.00 C ATOM 220 CD1 TYR A 17 -1.514 8.769 -3.597 1.00 0.00 C ATOM 221 CD2 TYR A 17 0.867 8.739 -3.803 1.00 0.00 C ATOM 222 CE1 TYR A 17 -1.443 10.059 -2.961 1.00 0.00 C ATOM 223 CE2 TYR A 17 0.938 10.030 -3.167 1.00 0.00 C ATOM 224 CZ TYR A 17 -0.221 10.626 -2.778 1.00 0.00 C ATOM 225 OH TYR A 17 -0.154 11.844 -2.178 1.00 0.00 O ATOM 0 H TYR A 17 0.014 8.722 -6.831 1.00 0.00 H new ATOM 0 HA TYR A 17 -0.486 5.858 -6.676 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -1.260 6.203 -4.245 1.00 0.00 H new ATOM 0 HB3 TYR A 17 0.479 6.211 -4.458 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -2.472 8.297 -3.755 1.00 0.00 H new ATOM 0 HD2 TYR A 17 1.772 8.244 -4.122 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -2.340 10.565 -2.637 1.00 0.00 H new ATOM 0 HE2 TYR A 17 1.890 10.513 -3.003 1.00 0.00 H new ATOM 0 HH TYR A 17 -1.044 12.255 -2.171 1.00 0.00 H new ATOM 235 N CYS A 18 -2.876 6.359 -6.901 1.00 0.00 N ATOM 236 CA CYS A 18 -4.258 6.669 -7.227 1.00 0.00 C ATOM 237 C CYS A 18 -5.158 6.011 -6.180 1.00 0.00 C ATOM 238 O CYS A 18 -5.254 4.786 -6.120 1.00 0.00 O ATOM 239 CB CYS A 18 -4.616 6.227 -8.648 1.00 0.00 C ATOM 240 SG CYS A 18 -6.411 6.435 -8.934 1.00 0.00 S ATOM 0 H CYS A 18 -2.624 5.376 -7.004 1.00 0.00 H new ATOM 0 HA CYS A 18 -4.407 7.749 -7.204 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -4.053 6.815 -9.373 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -4.334 5.184 -8.795 1.00 0.00 H new ATOM 0 HG CYS A 18 -6.704 6.059 -10.143 1.00 0.00 H new ATOM 246 N LEU A 19 -5.796 6.854 -5.381 1.00 0.00 N ATOM 247 CA LEU A 19 -6.686 6.369 -4.340 1.00 0.00 C ATOM 248 C LEU A 19 -8.083 6.159 -4.926 1.00 0.00 C ATOM 249 O LEU A 19 -8.603 7.026 -5.627 1.00 0.00 O ATOM 250 CB LEU A 19 -6.660 7.310 -3.133 1.00 0.00 C ATOM 251 CG LEU A 19 -5.274 7.722 -2.633 1.00 0.00 C ATOM 252 CD1 LEU A 19 -4.289 6.555 -2.724 1.00 0.00 C ATOM 253 CD2 LEU A 19 -4.768 8.959 -3.378 1.00 0.00 C ATOM 0 H LEU A 19 -5.714 7.869 -5.434 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.347 5.402 -3.969 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -7.215 8.212 -3.389 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.193 6.830 -2.312 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.357 7.992 -1.580 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.312 6.875 -2.363 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.649 5.727 -2.113 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.204 6.231 -3.761 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.781 9.231 -3.004 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.704 8.741 -4.444 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.458 9.788 -3.218 1.00 0.00 H new ATOM 265 N ASP A 20 -8.652 5.003 -4.617 1.00 0.00 N ATOM 266 CA ASP A 20 -9.979 4.667 -5.105 1.00 0.00 C ATOM 267 C ASP A 20 -10.607 3.621 -4.182 1.00 0.00 C ATOM 268 O ASP A 20 -10.140 2.485 -4.116 1.00 0.00 O ATOM 269 CB ASP A 20 -9.915 4.077 -6.514 1.00 0.00 C ATOM 270 CG ASP A 20 -11.260 3.627 -7.089 1.00 0.00 C ATOM 271 OD1 ASP A 20 -12.172 4.480 -7.132 1.00 0.00 O ATOM 272 OD2 ASP A 20 -11.345 2.440 -7.472 1.00 0.00 O ATOM 0 H ASP A 20 -8.218 4.287 -4.034 1.00 0.00 H new ATOM 0 HA ASP A 20 -10.573 5.581 -5.124 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -9.481 4.820 -7.183 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -9.238 3.223 -6.504 1.00 0.00 H new ATOM 277 N TYR A 21 -11.657 4.042 -3.491 1.00 0.00 N ATOM 278 CA TYR A 21 -12.354 3.155 -2.575 1.00 0.00 C ATOM 279 C TYR A 21 -13.566 2.511 -3.252 1.00 0.00 C ATOM 280 O TYR A 21 -14.474 3.208 -3.701 1.00 0.00 O ATOM 281 CB TYR A 21 -12.838 4.037 -1.422 1.00 0.00 C ATOM 282 CG TYR A 21 -13.439 3.256 -0.252 1.00 0.00 C ATOM 283 CD1 TYR A 21 -12.616 2.731 0.724 1.00 0.00 C ATOM 284 CD2 TYR A 21 -14.805 3.075 -0.172 1.00 0.00 C ATOM 285 CE1 TYR A 21 -13.182 1.996 1.825 1.00 0.00 C ATOM 286 CE2 TYR A 21 -15.371 2.340 0.929 1.00 0.00 C ATOM 287 CZ TYR A 21 -14.531 1.837 1.873 1.00 0.00 C ATOM 288 OH TYR A 21 -15.066 1.142 2.913 1.00 0.00 O ATOM 0 H TYR A 21 -12.041 4.985 -3.547 1.00 0.00 H new ATOM 0 HA TYR A 21 -11.696 2.353 -2.241 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -12.001 4.632 -1.057 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -13.584 4.736 -1.801 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -11.547 2.872 0.662 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -15.449 3.485 -0.936 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -12.549 1.580 2.595 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -16.438 2.191 1.004 1.00 0.00 H new ATOM 0 HH TYR A 21 -14.578 0.300 3.030 1.00 0.00 H new ATOM 298 N ASP A 22 -13.540 1.187 -3.302 1.00 0.00 N ATOM 299 CA ASP A 22 -14.625 0.440 -3.916 1.00 0.00 C ATOM 300 C ASP A 22 -15.588 -0.039 -2.828 1.00 0.00 C ATOM 301 O ASP A 22 -15.460 -1.156 -2.329 1.00 0.00 O ATOM 302 CB ASP A 22 -14.097 -0.790 -4.656 1.00 0.00 C ATOM 303 CG ASP A 22 -14.910 -1.205 -5.884 1.00 0.00 C ATOM 304 OD1 ASP A 22 -16.140 -0.986 -5.851 1.00 0.00 O ATOM 305 OD2 ASP A 22 -14.283 -1.731 -6.828 1.00 0.00 O ATOM 0 H ASP A 22 -12.785 0.613 -2.927 1.00 0.00 H new ATOM 0 HA ASP A 22 -15.129 1.098 -4.624 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -13.071 -0.595 -4.967 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -14.065 -1.628 -3.960 1.00 0.00 H new ATOM 310 N CYS A 23 -16.531 0.830 -2.493 1.00 0.00 N ATOM 311 CA CYS A 23 -17.515 0.509 -1.473 1.00 0.00 C ATOM 312 C CYS A 23 -17.966 -0.938 -1.679 1.00 0.00 C ATOM 313 O CYS A 23 -18.236 -1.651 -0.714 1.00 0.00 O ATOM 314 CB CYS A 23 -18.694 1.483 -1.499 1.00 0.00 C ATOM 315 SG CYS A 23 -19.810 1.078 -2.892 1.00 0.00 S ATOM 0 H CYS A 23 -16.634 1.755 -2.910 1.00 0.00 H new ATOM 0 HA CYS A 23 -17.065 0.611 -0.485 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -19.240 1.431 -0.557 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -18.330 2.505 -1.600 1.00 0.00 H new ATOM 0 HG CYS A 23 -20.809 1.910 -2.904 1.00 0.00 H new ATOM 321 N GLN A 24 -18.033 -1.330 -2.943 1.00 0.00 N ATOM 322 CA GLN A 24 -18.447 -2.679 -3.288 1.00 0.00 C ATOM 323 C GLN A 24 -17.538 -3.703 -2.606 1.00 0.00 C ATOM 324 O GLN A 24 -18.019 -4.656 -1.994 1.00 0.00 O ATOM 325 CB GLN A 24 -18.457 -2.879 -4.805 1.00 0.00 C ATOM 326 CG GLN A 24 -19.077 -1.673 -5.512 1.00 0.00 C ATOM 327 CD GLN A 24 -20.224 -2.104 -6.428 1.00 0.00 C ATOM 328 OE1 GLN A 24 -21.214 -2.675 -6.000 1.00 0.00 O ATOM 329 NE2 GLN A 24 -20.037 -1.800 -7.710 1.00 0.00 N ATOM 0 H GLN A 24 -17.807 -0.736 -3.741 1.00 0.00 H new ATOM 0 HA GLN A 24 -19.465 -2.829 -2.929 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -17.438 -3.031 -5.162 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -19.019 -3.779 -5.053 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -19.445 -0.963 -4.772 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -18.314 -1.158 -6.096 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -19.185 -1.321 -8.002 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -20.746 -2.046 -8.401 1.00 0.00 H new ATOM 338 N LYS A 25 -16.239 -3.472 -2.734 1.00 0.00 N ATOM 339 CA LYS A 25 -15.258 -4.363 -2.137 1.00 0.00 C ATOM 340 C LYS A 25 -14.965 -3.908 -0.707 1.00 0.00 C ATOM 341 O LYS A 25 -14.448 -4.678 0.100 1.00 0.00 O ATOM 342 CB LYS A 25 -14.012 -4.456 -3.020 1.00 0.00 C ATOM 343 CG LYS A 25 -14.387 -4.415 -4.503 1.00 0.00 C ATOM 344 CD LYS A 25 -13.325 -5.111 -5.357 1.00 0.00 C ATOM 345 CE LYS A 25 -13.972 -6.019 -6.404 1.00 0.00 C ATOM 346 NZ LYS A 25 -13.349 -7.361 -6.383 1.00 0.00 N ATOM 0 H LYS A 25 -15.843 -2.681 -3.242 1.00 0.00 H new ATOM 0 HA LYS A 25 -15.653 -5.377 -2.074 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -13.336 -3.633 -2.789 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -13.476 -5.380 -2.802 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -15.352 -4.899 -4.651 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -14.497 -3.380 -4.825 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.704 -4.364 -5.852 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.667 -5.699 -4.717 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -15.041 -6.105 -6.209 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -13.863 -5.577 -7.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.800 -7.964 -7.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.334 -7.276 -6.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -13.475 -7.787 -5.443 1.00 0.00 H new ATOM 360 N ALA A 26 -15.310 -2.657 -0.435 1.00 0.00 N ATOM 361 CA ALA A 26 -15.090 -2.090 0.884 1.00 0.00 C ATOM 362 C ALA A 26 -13.596 -2.133 1.211 1.00 0.00 C ATOM 363 O ALA A 26 -13.213 -2.421 2.344 1.00 0.00 O ATOM 364 CB ALA A 26 -15.934 -2.846 1.912 1.00 0.00 C ATOM 0 H ALA A 26 -15.740 -2.021 -1.106 1.00 0.00 H new ATOM 0 HA ALA A 26 -15.403 -1.046 0.910 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -15.769 -2.421 2.902 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -16.989 -2.759 1.651 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -15.646 -3.897 1.916 1.00 0.00 H new ATOM 370 N GLU A 27 -12.793 -1.843 0.198 1.00 0.00 N ATOM 371 CA GLU A 27 -11.349 -1.846 0.364 1.00 0.00 C ATOM 372 C GLU A 27 -10.725 -0.677 -0.402 1.00 0.00 C ATOM 373 O GLU A 27 -11.127 -0.382 -1.526 1.00 0.00 O ATOM 374 CB GLU A 27 -10.748 -3.179 -0.086 1.00 0.00 C ATOM 375 CG GLU A 27 -11.315 -4.340 0.733 1.00 0.00 C ATOM 376 CD GLU A 27 -10.196 -5.248 1.247 1.00 0.00 C ATOM 377 OE1 GLU A 27 -9.075 -4.722 1.422 1.00 0.00 O ATOM 378 OE2 GLU A 27 -10.486 -6.446 1.452 1.00 0.00 O ATOM 0 H GLU A 27 -13.114 -1.605 -0.740 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.124 -1.723 1.423 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -10.958 -3.338 -1.144 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -9.664 -3.148 0.022 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -11.887 -3.950 1.575 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -12.005 -4.919 0.120 1.00 0.00 H new ATOM 385 N LEU A 28 -9.753 -0.044 0.238 1.00 0.00 N ATOM 386 CA LEU A 28 -9.070 1.086 -0.369 1.00 0.00 C ATOM 387 C LEU A 28 -8.021 0.572 -1.357 1.00 0.00 C ATOM 388 O LEU A 28 -7.369 -0.440 -1.104 1.00 0.00 O ATOM 389 CB LEU A 28 -8.498 2.008 0.710 1.00 0.00 C ATOM 390 CG LEU A 28 -8.030 3.386 0.236 1.00 0.00 C ATOM 391 CD1 LEU A 28 -6.701 3.284 -0.516 1.00 0.00 C ATOM 392 CD2 LEU A 28 -9.110 4.074 -0.601 1.00 0.00 C ATOM 0 H LEU A 28 -9.422 -0.292 1.170 1.00 0.00 H new ATOM 0 HA LEU A 28 -9.773 1.695 -0.938 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -9.257 2.149 1.479 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.656 1.503 1.182 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.857 4.009 1.114 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.390 4.277 -0.842 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.941 2.864 0.143 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.824 2.638 -1.386 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -8.752 5.051 -0.925 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -9.338 3.463 -1.474 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -10.011 4.199 -0.001 1.00 0.00 H new ATOM 404 N PHE A 29 -7.892 1.292 -2.461 1.00 0.00 N ATOM 405 CA PHE A 29 -6.934 0.921 -3.489 1.00 0.00 C ATOM 406 C PHE A 29 -5.960 2.067 -3.770 1.00 0.00 C ATOM 407 O PHE A 29 -6.343 3.235 -3.730 1.00 0.00 O ATOM 408 CB PHE A 29 -7.733 0.623 -4.759 1.00 0.00 C ATOM 409 CG PHE A 29 -8.633 -0.610 -4.654 1.00 0.00 C ATOM 410 CD1 PHE A 29 -9.807 -0.539 -3.972 1.00 0.00 C ATOM 411 CD2 PHE A 29 -8.258 -1.777 -5.243 1.00 0.00 C ATOM 412 CE1 PHE A 29 -10.642 -1.683 -3.874 1.00 0.00 C ATOM 413 CE2 PHE A 29 -9.093 -2.921 -5.145 1.00 0.00 C ATOM 414 CZ PHE A 29 -10.267 -2.850 -4.463 1.00 0.00 C ATOM 0 H PHE A 29 -8.435 2.131 -2.667 1.00 0.00 H new ATOM 0 HA PHE A 29 -6.353 0.058 -3.162 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -8.348 1.490 -5.000 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -7.039 0.484 -5.588 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -10.105 0.388 -3.505 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -7.326 -1.833 -5.785 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -11.574 -1.627 -3.332 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -8.795 -3.848 -5.612 1.00 0.00 H new ATOM 0 HZ PHE A 29 -10.902 -3.721 -4.389 1.00 0.00 H new ATOM 424 N VAL A 30 -4.720 1.693 -4.048 1.00 0.00 N ATOM 425 CA VAL A 30 -3.688 2.674 -4.336 1.00 0.00 C ATOM 426 C VAL A 30 -2.975 2.293 -5.634 1.00 0.00 C ATOM 427 O VAL A 30 -1.831 1.842 -5.609 1.00 0.00 O ATOM 428 CB VAL A 30 -2.736 2.797 -3.144 1.00 0.00 C ATOM 429 CG1 VAL A 30 -1.661 3.854 -3.409 1.00 0.00 C ATOM 430 CG2 VAL A 30 -3.505 3.107 -1.858 1.00 0.00 C ATOM 0 H VAL A 30 -4.406 0.723 -4.080 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.129 3.659 -4.486 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.237 1.837 -3.012 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.997 3.922 -2.547 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.084 3.573 -4.290 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.135 4.821 -3.579 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.805 3.189 -1.026 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.043 4.048 -1.974 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.215 2.305 -1.656 1.00 0.00 H new ATOM 440 N THR A 31 -3.680 2.488 -6.739 1.00 0.00 N ATOM 441 CA THR A 31 -3.129 2.170 -8.045 1.00 0.00 C ATOM 442 C THR A 31 -2.211 3.296 -8.525 1.00 0.00 C ATOM 443 O THR A 31 -1.801 4.146 -7.736 1.00 0.00 O ATOM 444 CB THR A 31 -4.294 1.890 -8.995 1.00 0.00 C ATOM 445 OG1 THR A 31 -5.121 3.045 -8.881 1.00 0.00 O ATOM 446 CG2 THR A 31 -5.185 0.745 -8.508 1.00 0.00 C ATOM 0 H THR A 31 -4.629 2.863 -6.756 1.00 0.00 H new ATOM 0 HA THR A 31 -2.504 1.278 -8.003 1.00 0.00 H new ATOM 0 HB THR A 31 -3.905 1.652 -9.985 1.00 0.00 H new ATOM 0 HG1 THR A 31 -5.901 2.948 -9.466 1.00 0.00 H new ATOM 0 HG21 THR A 31 -5.996 0.588 -9.219 1.00 0.00 H new ATOM 0 HG22 THR A 31 -4.593 -0.167 -8.425 1.00 0.00 H new ATOM 0 HG23 THR A 31 -5.601 0.997 -7.533 1.00 0.00 H new ATOM 454 N ARG A 32 -1.915 3.265 -9.816 1.00 0.00 N ATOM 455 CA ARG A 32 -1.053 4.273 -10.410 1.00 0.00 C ATOM 456 C ARG A 32 0.164 4.524 -9.517 1.00 0.00 C ATOM 457 O ARG A 32 0.367 5.638 -9.037 1.00 0.00 O ATOM 458 CB ARG A 32 -1.805 5.589 -10.617 1.00 0.00 C ATOM 459 CG ARG A 32 -3.080 5.369 -11.434 1.00 0.00 C ATOM 460 CD ARG A 32 -2.763 5.264 -12.927 1.00 0.00 C ATOM 461 NE ARG A 32 -4.019 5.193 -13.707 1.00 0.00 N ATOM 462 CZ ARG A 32 -4.075 4.917 -15.017 1.00 0.00 C ATOM 463 NH1 ARG A 32 -2.947 4.683 -15.701 1.00 0.00 N ATOM 464 NH2 ARG A 32 -5.259 4.874 -15.643 1.00 0.00 N ATOM 0 H ARG A 32 -2.257 2.558 -10.467 1.00 0.00 H new ATOM 0 HA ARG A 32 -0.725 3.899 -11.380 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -2.059 6.023 -9.650 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -1.160 6.304 -11.128 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -3.578 4.459 -11.099 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -3.773 6.193 -11.263 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -2.176 6.126 -13.244 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -2.157 4.378 -13.117 1.00 0.00 H new ATOM 0 HE ARG A 32 -4.897 5.365 -13.217 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -2.046 4.715 -15.225 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -2.990 4.473 -16.698 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -6.118 5.051 -15.122 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -5.301 4.664 -16.640 1.00 0.00 H new ATOM 478 N LEU A 33 0.942 3.469 -9.323 1.00 0.00 N ATOM 479 CA LEU A 33 2.134 3.561 -8.496 1.00 0.00 C ATOM 480 C LEU A 33 3.334 3.917 -9.376 1.00 0.00 C ATOM 481 O LEU A 33 3.613 3.231 -10.358 1.00 0.00 O ATOM 482 CB LEU A 33 2.325 2.277 -7.687 1.00 0.00 C ATOM 483 CG LEU A 33 1.341 2.057 -6.536 1.00 0.00 C ATOM 484 CD1 LEU A 33 1.383 0.608 -6.048 1.00 0.00 C ATOM 485 CD2 LEU A 33 1.593 3.052 -5.401 1.00 0.00 C ATOM 0 H LEU A 33 0.771 2.547 -9.724 1.00 0.00 H new ATOM 0 HA LEU A 33 2.028 4.360 -7.762 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.253 1.428 -8.367 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.336 2.275 -7.280 1.00 0.00 H new ATOM 0 HG LEU A 33 0.333 2.242 -6.908 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.674 0.479 -5.230 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.117 -0.060 -6.867 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.388 0.371 -5.698 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.880 2.874 -4.596 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.607 2.923 -5.023 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.471 4.069 -5.775 1.00 0.00 H new ATOM 497 N GLU A 34 4.011 4.990 -8.993 1.00 0.00 N ATOM 498 CA GLU A 34 5.174 5.445 -9.735 1.00 0.00 C ATOM 499 C GLU A 34 6.097 6.260 -8.827 1.00 0.00 C ATOM 500 O GLU A 34 5.829 7.428 -8.550 1.00 0.00 O ATOM 501 CB GLU A 34 4.757 6.257 -10.964 1.00 0.00 C ATOM 502 CG GLU A 34 3.812 5.452 -11.858 1.00 0.00 C ATOM 503 CD GLU A 34 3.495 6.213 -13.147 1.00 0.00 C ATOM 504 OE1 GLU A 34 4.450 6.436 -13.923 1.00 0.00 O ATOM 505 OE2 GLU A 34 2.307 6.556 -13.326 1.00 0.00 O ATOM 0 H GLU A 34 3.776 5.557 -8.178 1.00 0.00 H new ATOM 0 HA GLU A 34 5.722 4.571 -10.087 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.267 7.178 -10.647 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.642 6.546 -11.531 1.00 0.00 H new ATOM 0 HG2 GLU A 34 4.266 4.491 -12.101 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.888 5.241 -11.320 1.00 0.00 H new ATOM 512 N ALA A 35 7.166 5.612 -8.389 1.00 0.00 N ATOM 513 CA ALA A 35 8.131 6.262 -7.518 1.00 0.00 C ATOM 514 C ALA A 35 9.147 7.025 -8.369 1.00 0.00 C ATOM 515 O ALA A 35 9.756 6.456 -9.274 1.00 0.00 O ATOM 516 CB ALA A 35 8.792 5.216 -6.618 1.00 0.00 C ATOM 0 H ALA A 35 7.386 4.643 -8.621 1.00 0.00 H new ATOM 0 HA ALA A 35 7.636 6.985 -6.869 1.00 0.00 H new ATOM 0 HB1 ALA A 35 9.516 5.703 -5.965 1.00 0.00 H new ATOM 0 HB2 ALA A 35 8.031 4.723 -6.013 1.00 0.00 H new ATOM 0 HB3 ALA A 35 9.301 4.475 -7.234 1.00 0.00 H new ATOM 522 N VAL A 36 9.300 8.301 -8.050 1.00 0.00 N ATOM 523 CA VAL A 36 10.232 9.148 -8.774 1.00 0.00 C ATOM 524 C VAL A 36 11.376 9.553 -7.842 1.00 0.00 C ATOM 525 O VAL A 36 11.389 10.665 -7.316 1.00 0.00 O ATOM 526 CB VAL A 36 9.494 10.348 -9.371 1.00 0.00 C ATOM 527 CG1 VAL A 36 10.459 11.503 -9.648 1.00 0.00 C ATOM 528 CG2 VAL A 36 8.736 9.950 -10.639 1.00 0.00 C ATOM 0 H VAL A 36 8.794 8.770 -7.299 1.00 0.00 H new ATOM 0 HA VAL A 36 10.671 8.605 -9.611 1.00 0.00 H new ATOM 0 HB VAL A 36 8.764 10.691 -8.638 1.00 0.00 H new ATOM 0 HG11 VAL A 36 9.909 12.343 -10.072 1.00 0.00 H new ATOM 0 HG12 VAL A 36 10.933 11.813 -8.716 1.00 0.00 H new ATOM 0 HG13 VAL A 36 11.224 11.177 -10.353 1.00 0.00 H new ATOM 0 HG21 VAL A 36 8.220 10.821 -11.043 1.00 0.00 H new ATOM 0 HG22 VAL A 36 9.440 9.569 -11.379 1.00 0.00 H new ATOM 0 HG23 VAL A 36 8.007 9.176 -10.399 1.00 0.00 H new ATOM 631 N ASP A 45 15.828 -4.763 -4.303 1.00 0.00 N ATOM 632 CA ASP A 45 14.628 -4.416 -5.045 1.00 0.00 C ATOM 633 C ASP A 45 13.791 -3.435 -4.222 1.00 0.00 C ATOM 634 O ASP A 45 13.751 -3.524 -2.996 1.00 0.00 O ATOM 635 CB ASP A 45 13.773 -5.655 -5.319 1.00 0.00 C ATOM 636 CG ASP A 45 14.084 -6.380 -6.629 1.00 0.00 C ATOM 637 OD1 ASP A 45 15.276 -6.700 -6.831 1.00 0.00 O ATOM 638 OD2 ASP A 45 13.124 -6.597 -7.400 1.00 0.00 O ATOM 0 HA ASP A 45 14.933 -3.972 -5.993 1.00 0.00 H new ATOM 0 HB2 ASP A 45 13.902 -6.356 -4.494 1.00 0.00 H new ATOM 0 HB3 ASP A 45 12.724 -5.359 -5.325 1.00 0.00 H new ATOM 643 N CYS A 46 13.143 -2.521 -4.930 1.00 0.00 N ATOM 644 CA CYS A 46 12.309 -1.525 -4.281 1.00 0.00 C ATOM 645 C CYS A 46 10.847 -1.836 -4.606 1.00 0.00 C ATOM 646 O CYS A 46 10.545 -2.373 -5.671 1.00 0.00 O ATOM 647 CB CYS A 46 12.696 -0.104 -4.697 1.00 0.00 C ATOM 648 SG CYS A 46 12.172 0.206 -6.423 1.00 0.00 S ATOM 0 H CYS A 46 13.179 -2.450 -5.947 1.00 0.00 H new ATOM 0 HA CYS A 46 12.458 -1.571 -3.202 1.00 0.00 H new ATOM 0 HB2 CYS A 46 12.227 0.620 -4.030 1.00 0.00 H new ATOM 0 HB3 CYS A 46 13.774 0.030 -4.606 1.00 0.00 H new ATOM 0 HG CYS A 46 11.405 -0.764 -6.824 1.00 0.00 H new ATOM 654 N TYR A 47 9.978 -1.485 -3.669 1.00 0.00 N ATOM 655 CA TYR A 47 8.554 -1.721 -3.843 1.00 0.00 C ATOM 656 C TYR A 47 7.730 -0.739 -3.008 1.00 0.00 C ATOM 657 O TYR A 47 8.215 -0.209 -2.009 1.00 0.00 O ATOM 658 CB TYR A 47 8.297 -3.142 -3.338 1.00 0.00 C ATOM 659 CG TYR A 47 8.773 -3.389 -1.905 1.00 0.00 C ATOM 660 CD1 TYR A 47 7.985 -3.001 -0.840 1.00 0.00 C ATOM 661 CD2 TYR A 47 9.989 -4.000 -1.678 1.00 0.00 C ATOM 662 CE1 TYR A 47 8.433 -3.234 0.509 1.00 0.00 C ATOM 663 CE2 TYR A 47 10.437 -4.232 -0.329 1.00 0.00 C ATOM 664 CZ TYR A 47 9.637 -3.838 0.698 1.00 0.00 C ATOM 665 OH TYR A 47 10.060 -4.057 1.972 1.00 0.00 O ATOM 0 H TYR A 47 10.232 -1.039 -2.787 1.00 0.00 H new ATOM 0 HA TYR A 47 8.268 -1.590 -4.887 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.228 -3.349 -3.396 1.00 0.00 H new ATOM 0 HB3 TYR A 47 8.795 -3.848 -4.002 1.00 0.00 H new ATOM 0 HD1 TYR A 47 7.033 -2.523 -1.018 1.00 0.00 H new ATOM 0 HD2 TYR A 47 10.605 -4.304 -2.512 1.00 0.00 H new ATOM 0 HE1 TYR A 47 7.827 -2.936 1.351 1.00 0.00 H new ATOM 0 HE2 TYR A 47 11.387 -4.708 -0.137 1.00 0.00 H new ATOM 0 HH TYR A 47 11.035 -3.968 2.013 1.00 0.00 H new ATOM 675 N VAL A 48 6.499 -0.525 -3.448 1.00 0.00 N ATOM 676 CA VAL A 48 5.603 0.384 -2.753 1.00 0.00 C ATOM 677 C VAL A 48 4.796 -0.397 -1.714 1.00 0.00 C ATOM 678 O VAL A 48 4.400 -1.536 -1.958 1.00 0.00 O ATOM 679 CB VAL A 48 4.722 1.123 -3.762 1.00 0.00 C ATOM 680 CG1 VAL A 48 3.952 2.260 -3.088 1.00 0.00 C ATOM 681 CG2 VAL A 48 5.552 1.644 -4.937 1.00 0.00 C ATOM 0 H VAL A 48 6.101 -0.965 -4.277 1.00 0.00 H new ATOM 0 HA VAL A 48 6.171 1.145 -2.218 1.00 0.00 H new ATOM 0 HB VAL A 48 3.995 0.413 -4.155 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.334 2.769 -3.827 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.316 1.853 -2.302 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.657 2.969 -2.654 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.901 2.165 -5.639 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.313 2.332 -4.568 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.034 0.807 -5.442 1.00 0.00 H new ATOM 691 N GLN A 49 4.577 0.246 -0.576 1.00 0.00 N ATOM 692 CA GLN A 49 3.824 -0.374 0.501 1.00 0.00 C ATOM 693 C GLN A 49 2.792 0.607 1.060 1.00 0.00 C ATOM 694 O GLN A 49 3.094 1.781 1.264 1.00 0.00 O ATOM 695 CB GLN A 49 4.758 -0.876 1.604 1.00 0.00 C ATOM 696 CG GLN A 49 3.969 -1.563 2.720 1.00 0.00 C ATOM 697 CD GLN A 49 4.285 -0.938 4.080 1.00 0.00 C ATOM 698 OE1 GLN A 49 5.051 0.005 4.196 1.00 0.00 O ATOM 699 NE2 GLN A 49 3.655 -1.514 5.100 1.00 0.00 N ATOM 0 H GLN A 49 4.908 1.190 -0.377 1.00 0.00 H new ATOM 0 HA GLN A 49 3.294 -1.237 0.098 1.00 0.00 H new ATOM 0 HB2 GLN A 49 5.482 -1.574 1.183 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.323 -0.040 2.015 1.00 0.00 H new ATOM 0 HG2 GLN A 49 2.901 -1.482 2.518 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.210 -2.626 2.739 1.00 0.00 H new ATOM 0 HE21 GLN A 49 3.027 -2.300 4.933 1.00 0.00 H new ATOM 0 HE22 GLN A 49 3.800 -1.170 6.049 1.00 0.00 H new ATOM 708 N GLY A 50 1.595 0.088 1.293 1.00 0.00 N ATOM 709 CA GLY A 50 0.517 0.903 1.825 1.00 0.00 C ATOM 710 C GLY A 50 0.042 0.370 3.179 1.00 0.00 C ATOM 711 O GLY A 50 0.033 -0.839 3.405 1.00 0.00 O ATOM 0 H GLY A 50 1.349 -0.887 1.123 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.855 1.933 1.934 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.316 0.914 1.122 1.00 0.00 H new ATOM 715 N SER A 51 -0.341 1.298 4.043 1.00 0.00 N ATOM 716 CA SER A 51 -0.815 0.936 5.368 1.00 0.00 C ATOM 717 C SER A 51 -2.077 1.732 5.708 1.00 0.00 C ATOM 718 O SER A 51 -2.140 2.936 5.461 1.00 0.00 O ATOM 719 CB SER A 51 0.265 1.176 6.425 1.00 0.00 C ATOM 720 OG SER A 51 0.893 2.446 6.267 1.00 0.00 O ATOM 0 H SER A 51 -0.333 2.300 3.852 1.00 0.00 H new ATOM 0 HA SER A 51 -1.053 -0.128 5.367 1.00 0.00 H new ATOM 0 HB2 SER A 51 -0.179 1.112 7.418 1.00 0.00 H new ATOM 0 HB3 SER A 51 1.017 0.389 6.361 1.00 0.00 H new ATOM 0 HG SER A 51 0.505 2.909 5.495 1.00 0.00 H new ATOM 726 N VAL A 52 -3.049 1.029 6.268 1.00 0.00 N ATOM 727 CA VAL A 52 -4.305 1.655 6.644 1.00 0.00 C ATOM 728 C VAL A 52 -4.595 1.364 8.118 1.00 0.00 C ATOM 729 O VAL A 52 -4.265 0.289 8.618 1.00 0.00 O ATOM 730 CB VAL A 52 -5.424 1.186 5.711 1.00 0.00 C ATOM 731 CG1 VAL A 52 -6.707 0.901 6.494 1.00 0.00 C ATOM 732 CG2 VAL A 52 -5.674 2.207 4.599 1.00 0.00 C ATOM 0 H VAL A 52 -2.993 0.031 6.471 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.240 2.737 6.533 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.104 0.255 5.244 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -7.486 0.569 5.808 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.517 0.121 7.232 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -7.033 1.809 7.001 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.474 1.850 3.950 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.963 3.161 5.039 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.764 2.338 4.014 1.00 0.00 H new ATOM 742 N ALA A 53 -5.208 2.339 8.772 1.00 0.00 N ATOM 743 CA ALA A 53 -5.545 2.201 10.178 1.00 0.00 C ATOM 744 C ALA A 53 -7.014 2.575 10.385 1.00 0.00 C ATOM 745 O ALA A 53 -7.399 3.726 10.189 1.00 0.00 O ATOM 746 CB ALA A 53 -4.600 3.064 11.017 1.00 0.00 C ATOM 0 H ALA A 53 -5.480 3.229 8.354 1.00 0.00 H new ATOM 0 HA ALA A 53 -5.419 1.168 10.503 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.853 2.960 12.072 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -3.572 2.739 10.857 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.701 4.108 10.721 1.00 0.00 H new ATOM 752 N ASN A 54 -7.795 1.579 10.778 1.00 0.00 N ATOM 753 CA ASN A 54 -9.214 1.789 11.014 1.00 0.00 C ATOM 754 C ASN A 54 -9.502 1.661 12.511 1.00 0.00 C ATOM 755 O ASN A 54 -8.594 1.414 13.303 1.00 0.00 O ATOM 756 CB ASN A 54 -10.054 0.743 10.279 1.00 0.00 C ATOM 757 CG ASN A 54 -9.232 -0.513 9.984 1.00 0.00 C ATOM 758 OD1 ASN A 54 -8.409 -0.947 10.774 1.00 0.00 O ATOM 759 ND2 ASN A 54 -9.500 -1.071 8.807 1.00 0.00 N ATOM 0 H ASN A 54 -7.472 0.625 10.939 1.00 0.00 H new ATOM 0 HA ASN A 54 -9.474 2.782 10.648 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -10.923 0.480 10.883 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -10.430 1.163 9.346 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -9.004 -1.914 8.518 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -10.201 -0.656 8.194 1.00 0.00 H new ATOM 766 N ARG A 55 -10.770 1.835 12.854 1.00 0.00 N ATOM 767 CA ARG A 55 -11.189 1.742 14.242 1.00 0.00 C ATOM 768 C ARG A 55 -11.182 0.283 14.702 1.00 0.00 C ATOM 769 O ARG A 55 -11.299 0.003 15.894 1.00 0.00 O ATOM 770 CB ARG A 55 -12.592 2.322 14.433 1.00 0.00 C ATOM 771 CG ARG A 55 -12.562 3.852 14.400 1.00 0.00 C ATOM 772 CD ARG A 55 -13.954 4.422 14.124 1.00 0.00 C ATOM 773 NE ARG A 55 -14.059 5.791 14.677 1.00 0.00 N ATOM 774 CZ ARG A 55 -15.205 6.482 14.760 1.00 0.00 C ATOM 775 NH1 ARG A 55 -16.349 5.936 14.326 1.00 0.00 N ATOM 776 NH2 ARG A 55 -15.205 7.718 15.276 1.00 0.00 N ATOM 0 H ARG A 55 -11.521 2.040 12.195 1.00 0.00 H new ATOM 0 HA ARG A 55 -10.484 2.319 14.841 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -13.253 1.951 13.650 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -13.003 1.983 15.384 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.192 4.233 15.352 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -11.868 4.189 13.630 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -14.143 4.439 13.051 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -14.714 3.781 14.571 1.00 0.00 H new ATOM 0 HE ARG A 55 -13.206 6.236 15.016 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -16.348 4.995 13.933 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -17.221 6.461 14.389 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -14.333 8.133 15.606 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -16.076 8.244 15.339 1.00 0.00 H new ATOM 790 N THR A 56 -11.043 -0.609 13.732 1.00 0.00 N ATOM 791 CA THR A 56 -11.018 -2.033 14.023 1.00 0.00 C ATOM 792 C THR A 56 -9.577 -2.518 14.192 1.00 0.00 C ATOM 793 O THR A 56 -9.321 -3.471 14.926 1.00 0.00 O ATOM 794 CB THR A 56 -11.776 -2.756 12.908 1.00 0.00 C ATOM 795 OG1 THR A 56 -10.969 -2.553 11.751 1.00 0.00 O ATOM 796 CG2 THR A 56 -13.101 -2.074 12.562 1.00 0.00 C ATOM 0 H THR A 56 -10.947 -0.374 12.744 1.00 0.00 H new ATOM 0 HA THR A 56 -11.514 -2.252 14.969 1.00 0.00 H new ATOM 0 HB THR A 56 -11.966 -3.786 13.208 1.00 0.00 H new ATOM 0 HG1 THR A 56 -11.386 -2.991 10.980 1.00 0.00 H new ATOM 0 HG21 THR A 56 -13.598 -2.628 11.765 1.00 0.00 H new ATOM 0 HG22 THR A 56 -13.741 -2.054 13.444 1.00 0.00 H new ATOM 0 HG23 THR A 56 -12.909 -1.054 12.230 1.00 0.00 H new ATOM 804 N GLY A 57 -8.673 -1.840 13.500 1.00 0.00 N ATOM 805 CA GLY A 57 -7.264 -2.189 13.564 1.00 0.00 C ATOM 806 C GLY A 57 -6.469 -1.461 12.479 1.00 0.00 C ATOM 807 O GLY A 57 -6.479 -0.233 12.415 1.00 0.00 O ATOM 0 H GLY A 57 -8.889 -1.050 12.892 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -6.866 -1.932 14.546 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -7.147 -3.266 13.445 1.00 0.00 H new ATOM 811 N SER A 58 -5.798 -2.250 11.652 1.00 0.00 N ATOM 812 CA SER A 58 -4.999 -1.696 10.573 1.00 0.00 C ATOM 813 C SER A 58 -4.673 -2.786 9.550 1.00 0.00 C ATOM 814 O SER A 58 -4.848 -3.973 9.824 1.00 0.00 O ATOM 815 CB SER A 58 -3.710 -1.069 11.108 1.00 0.00 C ATOM 816 OG SER A 58 -3.188 -1.789 12.221 1.00 0.00 O ATOM 0 H SER A 58 -5.792 -3.268 11.708 1.00 0.00 H new ATOM 0 HA SER A 58 -5.579 -0.911 10.087 1.00 0.00 H new ATOM 0 HB2 SER A 58 -2.964 -1.039 10.313 1.00 0.00 H new ATOM 0 HB3 SER A 58 -3.904 -0.037 11.402 1.00 0.00 H new ATOM 0 HG SER A 58 -2.365 -1.358 12.532 1.00 0.00 H new ATOM 822 N VAL A 59 -4.206 -2.345 8.391 1.00 0.00 N ATOM 823 CA VAL A 59 -3.855 -3.269 7.326 1.00 0.00 C ATOM 824 C VAL A 59 -2.547 -2.815 6.674 1.00 0.00 C ATOM 825 O VAL A 59 -1.996 -1.777 7.036 1.00 0.00 O ATOM 826 CB VAL A 59 -5.011 -3.383 6.330 1.00 0.00 C ATOM 827 CG1 VAL A 59 -6.160 -4.206 6.916 1.00 0.00 C ATOM 828 CG2 VAL A 59 -5.495 -2.000 5.891 1.00 0.00 C ATOM 0 H VAL A 59 -4.063 -1.360 8.166 1.00 0.00 H new ATOM 0 HA VAL A 59 -3.689 -4.269 7.727 1.00 0.00 H new ATOM 0 HB VAL A 59 -4.642 -3.904 5.447 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -6.969 -4.272 6.188 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -5.805 -5.208 7.155 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.526 -3.725 7.823 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -6.317 -2.110 5.183 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -5.838 -1.441 6.762 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -4.675 -1.462 5.415 1.00 0.00 H new ATOM 838 N GLU A 60 -2.088 -3.616 5.723 1.00 0.00 N ATOM 839 CA GLU A 60 -0.855 -3.309 5.018 1.00 0.00 C ATOM 840 C GLU A 60 -0.797 -4.074 3.693 1.00 0.00 C ATOM 841 O GLU A 60 -1.110 -5.262 3.645 1.00 0.00 O ATOM 842 CB GLU A 60 0.366 -3.623 5.885 1.00 0.00 C ATOM 843 CG GLU A 60 0.395 -2.736 7.132 1.00 0.00 C ATOM 844 CD GLU A 60 1.749 -2.829 7.838 1.00 0.00 C ATOM 845 OE1 GLU A 60 2.708 -2.230 7.307 1.00 0.00 O ATOM 846 OE2 GLU A 60 1.793 -3.496 8.895 1.00 0.00 O ATOM 0 H GLU A 60 -2.548 -4.476 5.425 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.840 -2.241 4.801 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.347 -4.672 6.181 1.00 0.00 H new ATOM 0 HB3 GLU A 60 1.277 -3.472 5.305 1.00 0.00 H new ATOM 0 HG2 GLU A 60 0.197 -1.701 6.852 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.398 -3.038 7.816 1.00 0.00 H new ATOM 853 N ALA A 61 -0.396 -3.360 2.652 1.00 0.00 N ATOM 854 CA ALA A 61 -0.293 -3.956 1.331 1.00 0.00 C ATOM 855 C ALA A 61 0.923 -3.375 0.607 1.00 0.00 C ATOM 856 O ALA A 61 1.497 -2.381 1.049 1.00 0.00 O ATOM 857 CB ALA A 61 -1.596 -3.721 0.562 1.00 0.00 C ATOM 0 H ALA A 61 -0.138 -2.374 2.696 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.148 -5.034 1.407 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -1.519 -4.168 -0.429 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.425 -4.178 1.103 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -1.773 -2.650 0.464 1.00 0.00 H new ATOM 863 N GLN A 62 1.281 -4.021 -0.493 1.00 0.00 N ATOM 864 CA GLN A 62 2.419 -3.581 -1.282 1.00 0.00 C ATOM 865 C GLN A 62 2.370 -4.206 -2.678 1.00 0.00 C ATOM 866 O GLN A 62 1.534 -5.067 -2.948 1.00 0.00 O ATOM 867 CB GLN A 62 3.736 -3.915 -0.579 1.00 0.00 C ATOM 868 CG GLN A 62 3.697 -5.323 0.019 1.00 0.00 C ATOM 869 CD GLN A 62 4.026 -5.294 1.513 1.00 0.00 C ATOM 870 OE1 GLN A 62 3.154 -5.246 2.366 1.00 0.00 O ATOM 871 NE2 GLN A 62 5.328 -5.325 1.781 1.00 0.00 N ATOM 0 H GLN A 62 0.803 -4.846 -0.856 1.00 0.00 H new ATOM 0 HA GLN A 62 2.366 -2.497 -1.387 1.00 0.00 H new ATOM 0 HB2 GLN A 62 4.560 -3.840 -1.288 1.00 0.00 H new ATOM 0 HB3 GLN A 62 3.927 -3.187 0.209 1.00 0.00 H new ATOM 0 HG2 GLN A 62 2.709 -5.758 -0.131 1.00 0.00 H new ATOM 0 HG3 GLN A 62 4.410 -5.963 -0.502 1.00 0.00 H new ATOM 0 HE21 GLN A 62 6.005 -5.365 1.019 1.00 0.00 H new ATOM 0 HE22 GLN A 62 5.650 -5.309 2.749 1.00 0.00 H new ATOM 880 N THR A 63 3.276 -3.746 -3.529 1.00 0.00 N ATOM 881 CA THR A 63 3.346 -4.249 -4.891 1.00 0.00 C ATOM 882 C THR A 63 4.569 -5.152 -5.064 1.00 0.00 C ATOM 883 O THR A 63 5.366 -5.307 -4.140 1.00 0.00 O ATOM 884 CB THR A 63 3.339 -3.048 -5.839 1.00 0.00 C ATOM 885 OG1 THR A 63 4.396 -2.221 -5.360 1.00 0.00 O ATOM 886 CG2 THR A 63 2.087 -2.183 -5.679 1.00 0.00 C ATOM 0 H THR A 63 3.967 -3.031 -3.302 1.00 0.00 H new ATOM 0 HA THR A 63 2.484 -4.873 -5.127 1.00 0.00 H new ATOM 0 HB THR A 63 3.409 -3.398 -6.869 1.00 0.00 H new ATOM 0 HG1 THR A 63 5.062 -2.098 -6.069 1.00 0.00 H new ATOM 0 HG21 THR A 63 2.132 -1.345 -6.374 1.00 0.00 H new ATOM 0 HG22 THR A 63 1.201 -2.782 -5.890 1.00 0.00 H new ATOM 0 HG23 THR A 63 2.034 -1.805 -4.658 1.00 0.00 H new ATOM 894 N ALA A 64 4.679 -5.725 -6.253 1.00 0.00 N ATOM 895 CA ALA A 64 5.791 -6.608 -6.559 1.00 0.00 C ATOM 896 C ALA A 64 7.107 -5.855 -6.351 1.00 0.00 C ATOM 897 O ALA A 64 7.111 -4.634 -6.207 1.00 0.00 O ATOM 898 CB ALA A 64 5.643 -7.141 -7.986 1.00 0.00 C ATOM 0 H ALA A 64 4.016 -5.595 -7.017 1.00 0.00 H new ATOM 0 HA ALA A 64 5.794 -7.468 -5.889 1.00 0.00 H new ATOM 0 HB1 ALA A 64 6.478 -7.804 -8.215 1.00 0.00 H new ATOM 0 HB2 ALA A 64 4.707 -7.693 -8.073 1.00 0.00 H new ATOM 0 HB3 ALA A 64 5.639 -6.307 -8.687 1.00 0.00 H new ATOM 904 N LEU A 65 8.191 -6.616 -6.342 1.00 0.00 N ATOM 905 CA LEU A 65 9.510 -6.036 -6.155 1.00 0.00 C ATOM 906 C LEU A 65 10.083 -5.632 -7.514 1.00 0.00 C ATOM 907 O LEU A 65 10.151 -6.450 -8.431 1.00 0.00 O ATOM 908 CB LEU A 65 10.409 -6.992 -5.368 1.00 0.00 C ATOM 909 CG LEU A 65 10.348 -6.869 -3.844 1.00 0.00 C ATOM 910 CD1 LEU A 65 9.610 -8.059 -3.227 1.00 0.00 C ATOM 911 CD2 LEU A 65 11.747 -6.692 -3.251 1.00 0.00 C ATOM 0 H LEU A 65 8.183 -7.629 -6.461 1.00 0.00 H new ATOM 0 HA LEU A 65 9.445 -5.129 -5.554 1.00 0.00 H new ATOM 0 HB2 LEU A 65 10.146 -8.014 -5.641 1.00 0.00 H new ATOM 0 HB3 LEU A 65 11.440 -6.833 -5.684 1.00 0.00 H new ATOM 0 HG LEU A 65 9.778 -5.973 -3.597 1.00 0.00 H new ATOM 0 HD11 LEU A 65 9.581 -7.947 -2.143 1.00 0.00 H new ATOM 0 HD12 LEU A 65 8.592 -8.097 -3.615 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.130 -8.982 -3.482 1.00 0.00 H new ATOM 0 HD21 LEU A 65 11.675 -6.607 -2.167 1.00 0.00 H new ATOM 0 HD22 LEU A 65 12.363 -7.554 -3.507 1.00 0.00 H new ATOM 0 HD23 LEU A 65 12.202 -5.788 -3.656 1.00 0.00 H new ATOM 923 N LYS A 66 10.481 -4.371 -7.603 1.00 0.00 N ATOM 924 CA LYS A 66 11.046 -3.849 -8.835 1.00 0.00 C ATOM 925 C LYS A 66 12.499 -3.438 -8.591 1.00 0.00 C ATOM 926 O LYS A 66 12.993 -3.527 -7.468 1.00 0.00 O ATOM 927 CB LYS A 66 10.173 -2.722 -9.390 1.00 0.00 C ATOM 928 CG LYS A 66 8.816 -3.257 -9.853 1.00 0.00 C ATOM 929 CD LYS A 66 8.627 -3.044 -11.357 1.00 0.00 C ATOM 930 CE LYS A 66 7.224 -3.464 -11.798 1.00 0.00 C ATOM 931 NZ LYS A 66 7.263 -4.786 -12.462 1.00 0.00 N ATOM 0 H LYS A 66 10.423 -3.695 -6.841 1.00 0.00 H new ATOM 0 HA LYS A 66 11.058 -4.620 -9.605 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.026 -1.961 -8.624 1.00 0.00 H new ATOM 0 HB3 LYS A 66 10.682 -2.240 -10.225 1.00 0.00 H new ATOM 0 HG2 LYS A 66 8.741 -4.319 -9.620 1.00 0.00 H new ATOM 0 HG3 LYS A 66 8.017 -2.754 -9.308 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.790 -1.995 -11.603 1.00 0.00 H new ATOM 0 HD3 LYS A 66 9.372 -3.620 -11.906 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.562 -3.504 -10.933 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.813 -2.720 -12.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.302 -5.056 -12.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 7.879 -4.736 -13.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 7.635 -5.496 -11.800 1.00 0.00 H new ATOM 945 N LYS A 67 13.144 -2.996 -9.661 1.00 0.00 N ATOM 946 CA LYS A 67 14.531 -2.571 -9.577 1.00 0.00 C ATOM 947 C LYS A 67 14.591 -1.042 -9.573 1.00 0.00 C ATOM 948 O LYS A 67 13.983 -0.391 -10.421 1.00 0.00 O ATOM 949 CB LYS A 67 15.358 -3.216 -10.691 1.00 0.00 C ATOM 950 CG LYS A 67 16.593 -2.374 -11.016 1.00 0.00 C ATOM 951 CD LYS A 67 17.820 -3.261 -11.232 1.00 0.00 C ATOM 952 CE LYS A 67 17.658 -4.127 -12.483 1.00 0.00 C ATOM 953 NZ LYS A 67 18.535 -5.316 -12.408 1.00 0.00 N ATOM 0 H LYS A 67 12.731 -2.923 -10.591 1.00 0.00 H new ATOM 0 HA LYS A 67 14.978 -2.911 -8.643 1.00 0.00 H new ATOM 0 HB2 LYS A 67 15.666 -4.217 -10.387 1.00 0.00 H new ATOM 0 HB3 LYS A 67 14.745 -3.329 -11.585 1.00 0.00 H new ATOM 0 HG2 LYS A 67 16.407 -1.780 -11.911 1.00 0.00 H new ATOM 0 HG3 LYS A 67 16.785 -1.674 -10.203 1.00 0.00 H new ATOM 0 HD2 LYS A 67 18.710 -2.639 -11.329 1.00 0.00 H new ATOM 0 HD3 LYS A 67 17.970 -3.899 -10.361 1.00 0.00 H new ATOM 0 HE2 LYS A 67 16.619 -4.440 -12.583 1.00 0.00 H new ATOM 0 HE3 LYS A 67 17.902 -3.543 -13.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 18.412 -5.892 -13.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 19.527 -5.012 -12.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 18.283 -5.881 -11.572 1.00 0.00 H new ATOM 967 N ARG A 68 15.330 -0.514 -8.609 1.00 0.00 N ATOM 968 CA ARG A 68 15.478 0.926 -8.484 1.00 0.00 C ATOM 969 C ARG A 68 15.653 1.564 -9.864 1.00 0.00 C ATOM 970 O ARG A 68 16.534 1.171 -10.626 1.00 0.00 O ATOM 971 CB ARG A 68 16.682 1.282 -7.609 1.00 0.00 C ATOM 972 CG ARG A 68 16.381 2.499 -6.732 1.00 0.00 C ATOM 973 CD ARG A 68 15.600 2.093 -5.481 1.00 0.00 C ATOM 974 NE ARG A 68 16.536 1.706 -4.402 1.00 0.00 N ATOM 975 CZ ARG A 68 17.381 2.554 -3.800 1.00 0.00 C ATOM 976 NH1 ARG A 68 17.413 3.842 -4.168 1.00 0.00 N ATOM 977 NH2 ARG A 68 18.195 2.114 -2.831 1.00 0.00 N ATOM 0 H ARG A 68 15.833 -1.057 -7.907 1.00 0.00 H new ATOM 0 HA ARG A 68 14.574 1.312 -8.013 1.00 0.00 H new ATOM 0 HB2 ARG A 68 16.943 0.431 -6.980 1.00 0.00 H new ATOM 0 HB3 ARG A 68 17.546 1.489 -8.240 1.00 0.00 H new ATOM 0 HG2 ARG A 68 17.314 2.982 -6.442 1.00 0.00 H new ATOM 0 HG3 ARG A 68 15.807 3.230 -7.302 1.00 0.00 H new ATOM 0 HD2 ARG A 68 14.973 2.920 -5.150 1.00 0.00 H new ATOM 0 HD3 ARG A 68 14.935 1.261 -5.712 1.00 0.00 H new ATOM 0 HE ARG A 68 16.538 0.733 -4.097 1.00 0.00 H new ATOM 0 HH11 ARG A 68 16.794 4.177 -4.906 1.00 0.00 H new ATOM 0 HH12 ARG A 68 18.056 4.488 -3.710 1.00 0.00 H new ATOM 0 HH21 ARG A 68 18.172 1.133 -2.551 1.00 0.00 H new ATOM 0 HH22 ARG A 68 18.838 2.760 -2.373 1.00 0.00 H new ATOM 991 N GLN A 69 14.800 2.539 -10.142 1.00 0.00 N ATOM 992 CA GLN A 69 14.849 3.235 -11.417 1.00 0.00 C ATOM 993 C GLN A 69 14.434 4.697 -11.239 1.00 0.00 C ATOM 994 O GLN A 69 13.820 5.054 -10.235 1.00 0.00 O ATOM 995 CB GLN A 69 13.969 2.537 -12.457 1.00 0.00 C ATOM 996 CG GLN A 69 14.621 1.242 -12.946 1.00 0.00 C ATOM 997 CD GLN A 69 15.788 1.538 -13.889 1.00 0.00 C ATOM 998 OE1 GLN A 69 15.942 2.634 -14.403 1.00 0.00 O ATOM 999 NE2 GLN A 69 16.600 0.503 -14.087 1.00 0.00 N ATOM 0 H GLN A 69 14.071 2.864 -9.506 1.00 0.00 H new ATOM 0 HA GLN A 69 15.875 3.211 -11.783 1.00 0.00 H new ATOM 0 HB2 GLN A 69 12.993 2.316 -12.024 1.00 0.00 H new ATOM 0 HB3 GLN A 69 13.799 3.204 -13.302 1.00 0.00 H new ATOM 0 HG2 GLN A 69 14.976 0.665 -12.092 1.00 0.00 H new ATOM 0 HG3 GLN A 69 13.880 0.629 -13.460 1.00 0.00 H new ATOM 0 HE21 GLN A 69 16.413 -0.387 -13.625 1.00 0.00 H new ATOM 0 HE22 GLN A 69 17.409 0.600 -14.700 1.00 0.00 H new ATOM 1008 N LEU A 70 14.785 5.503 -12.230 1.00 0.00 N ATOM 1009 CA LEU A 70 14.457 6.918 -12.196 1.00 0.00 C ATOM 1010 C LEU A 70 12.936 7.084 -12.175 1.00 0.00 C ATOM 1011 O LEU A 70 12.430 8.157 -11.851 1.00 0.00 O ATOM 1012 CB LEU A 70 15.140 7.654 -13.351 1.00 0.00 C ATOM 1013 CG LEU A 70 16.033 8.832 -12.960 1.00 0.00 C ATOM 1014 CD1 LEU A 70 15.201 9.994 -12.412 1.00 0.00 C ATOM 1015 CD2 LEU A 70 17.121 8.393 -11.977 1.00 0.00 C ATOM 0 H LEU A 70 15.293 5.203 -13.062 1.00 0.00 H new ATOM 0 HA LEU A 70 14.841 7.376 -11.285 1.00 0.00 H new ATOM 0 HB2 LEU A 70 15.742 6.936 -13.908 1.00 0.00 H new ATOM 0 HB3 LEU A 70 14.369 8.018 -14.030 1.00 0.00 H new ATOM 0 HG LEU A 70 16.536 9.191 -13.858 1.00 0.00 H new ATOM 0 HD11 LEU A 70 15.861 10.818 -12.142 1.00 0.00 H new ATOM 0 HD12 LEU A 70 14.496 10.328 -13.174 1.00 0.00 H new ATOM 0 HD13 LEU A 70 14.652 9.664 -11.530 1.00 0.00 H new ATOM 0 HD21 LEU A 70 17.742 9.250 -11.715 1.00 0.00 H new ATOM 0 HD22 LEU A 70 16.657 7.992 -11.076 1.00 0.00 H new ATOM 0 HD23 LEU A 70 17.740 7.624 -12.439 1.00 0.00 H new ATOM 1027 N HIS A 71 12.250 6.005 -12.525 1.00 0.00 N ATOM 1028 CA HIS A 71 10.797 6.018 -12.549 1.00 0.00 C ATOM 1029 C HIS A 71 10.271 4.581 -12.528 1.00 0.00 C ATOM 1030 O HIS A 71 9.985 4.006 -13.577 1.00 0.00 O ATOM 1031 CB HIS A 71 10.282 6.821 -13.745 1.00 0.00 C ATOM 1032 CG HIS A 71 8.942 7.477 -13.512 1.00 0.00 C ATOM 1033 ND1 HIS A 71 8.384 8.379 -14.401 1.00 0.00 N ATOM 1034 CD2 HIS A 71 8.055 7.352 -12.484 1.00 0.00 C ATOM 1035 CE1 HIS A 71 7.215 8.774 -13.919 1.00 0.00 C ATOM 1036 NE2 HIS A 71 7.013 8.136 -12.730 1.00 0.00 N ATOM 0 H HIS A 71 12.673 5.117 -12.794 1.00 0.00 H new ATOM 0 HA HIS A 71 10.418 6.519 -11.658 1.00 0.00 H new ATOM 0 HB2 HIS A 71 11.013 7.590 -13.995 1.00 0.00 H new ATOM 0 HB3 HIS A 71 10.206 6.160 -14.608 1.00 0.00 H new ATOM 0 HD2 HIS A 71 8.179 6.721 -11.616 1.00 0.00 H new ATOM 0 HE1 HIS A 71 6.541 9.477 -14.385 1.00 0.00 H new ATOM 0 HE2 HIS A 71 6.196 8.244 -12.129 1.00 0.00 H new ATOM 1044 N THR A 72 10.160 4.043 -11.323 1.00 0.00 N ATOM 1045 CA THR A 72 9.674 2.685 -11.151 1.00 0.00 C ATOM 1046 C THR A 72 8.144 2.658 -11.186 1.00 0.00 C ATOM 1047 O THR A 72 7.490 3.255 -10.332 1.00 0.00 O ATOM 1048 CB THR A 72 10.262 2.132 -9.852 1.00 0.00 C ATOM 1049 OG1 THR A 72 11.669 2.138 -10.078 1.00 0.00 O ATOM 1050 CG2 THR A 72 9.924 0.656 -9.637 1.00 0.00 C ATOM 0 H THR A 72 10.399 4.523 -10.455 1.00 0.00 H new ATOM 0 HA THR A 72 9.998 2.043 -11.970 1.00 0.00 H new ATOM 0 HB THR A 72 9.891 2.715 -9.009 1.00 0.00 H new ATOM 0 HG1 THR A 72 12.129 1.796 -9.284 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.366 0.314 -8.701 1.00 0.00 H new ATOM 0 HG22 THR A 72 8.842 0.533 -9.594 1.00 0.00 H new ATOM 0 HG23 THR A 72 10.323 0.067 -10.463 1.00 0.00 H new ATOM 1058 N THR A 73 7.619 1.959 -12.182 1.00 0.00 N ATOM 1059 CA THR A 73 6.179 1.846 -12.339 1.00 0.00 C ATOM 1060 C THR A 73 5.736 0.392 -12.165 1.00 0.00 C ATOM 1061 O THR A 73 6.471 -0.530 -12.512 1.00 0.00 O ATOM 1062 CB THR A 73 5.804 2.438 -13.699 1.00 0.00 C ATOM 1063 OG1 THR A 73 6.647 1.751 -14.620 1.00 0.00 O ATOM 1064 CG2 THR A 73 6.219 3.904 -13.835 1.00 0.00 C ATOM 0 H THR A 73 8.165 1.465 -12.888 1.00 0.00 H new ATOM 0 HA THR A 73 5.651 2.407 -11.568 1.00 0.00 H new ATOM 0 HB THR A 73 4.728 2.351 -13.848 1.00 0.00 H new ATOM 0 HG1 THR A 73 6.469 2.072 -15.529 1.00 0.00 H new ATOM 0 HG21 THR A 73 5.929 4.274 -14.818 1.00 0.00 H new ATOM 0 HG22 THR A 73 5.724 4.495 -13.064 1.00 0.00 H new ATOM 0 HG23 THR A 73 7.300 3.988 -13.719 1.00 0.00 H new ATOM 1072 N TRP A 74 4.535 0.234 -11.628 1.00 0.00 N ATOM 1073 CA TRP A 74 3.985 -1.092 -11.404 1.00 0.00 C ATOM 1074 C TRP A 74 2.779 -1.267 -12.330 1.00 0.00 C ATOM 1075 O TRP A 74 2.475 -0.385 -13.131 1.00 0.00 O ATOM 1076 CB TRP A 74 3.640 -1.301 -9.928 1.00 0.00 C ATOM 1077 CG TRP A 74 4.860 -1.375 -9.008 1.00 0.00 C ATOM 1078 CD1 TRP A 74 5.423 -2.466 -8.470 1.00 0.00 C ATOM 1079 CD2 TRP A 74 5.651 -0.263 -8.538 1.00 0.00 C ATOM 1080 NE1 TRP A 74 6.514 -2.140 -7.690 1.00 0.00 N ATOM 1081 CE2 TRP A 74 6.657 -0.758 -7.733 1.00 0.00 C ATOM 1082 CE3 TRP A 74 5.521 1.115 -8.784 1.00 0.00 C ATOM 1083 CZ2 TRP A 74 7.610 0.056 -7.109 1.00 0.00 C ATOM 1084 CZ3 TRP A 74 6.481 1.915 -8.154 1.00 0.00 C ATOM 1085 CH2 TRP A 74 7.500 1.433 -7.341 1.00 0.00 C ATOM 0 H TRP A 74 3.928 1.002 -11.342 1.00 0.00 H new ATOM 0 HA TRP A 74 4.721 -1.860 -11.642 1.00 0.00 H new ATOM 0 HB2 TRP A 74 2.997 -0.486 -9.597 1.00 0.00 H new ATOM 0 HB3 TRP A 74 3.065 -2.221 -9.827 1.00 0.00 H new ATOM 0 HD1 TRP A 74 5.068 -3.474 -8.627 1.00 0.00 H new ATOM 0 HE1 TRP A 74 7.106 -2.793 -7.177 1.00 0.00 H new ATOM 0 HE3 TRP A 74 4.742 1.524 -9.410 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 8.388 -0.355 -6.483 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 6.426 2.982 -8.311 1.00 0.00 H new ATOM 0 HH2 TRP A 74 8.204 2.117 -6.890 1.00 0.00 H new ATOM 1096 N GLU A 75 2.126 -2.411 -12.189 1.00 0.00 N ATOM 1097 CA GLU A 75 0.960 -2.712 -13.003 1.00 0.00 C ATOM 1098 C GLU A 75 -0.296 -2.764 -12.131 1.00 0.00 C ATOM 1099 O GLU A 75 -1.341 -2.237 -12.510 1.00 0.00 O ATOM 1100 CB GLU A 75 1.151 -4.022 -13.769 1.00 0.00 C ATOM 1101 CG GLU A 75 0.503 -3.947 -15.153 1.00 0.00 C ATOM 1102 CD GLU A 75 0.408 -5.335 -15.790 1.00 0.00 C ATOM 1103 OE1 GLU A 75 1.484 -5.901 -16.081 1.00 0.00 O ATOM 1104 OE2 GLU A 75 -0.739 -5.799 -15.972 1.00 0.00 O ATOM 0 H GLU A 75 2.382 -3.141 -11.524 1.00 0.00 H new ATOM 0 HA GLU A 75 0.836 -1.915 -13.736 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.215 -4.235 -13.873 1.00 0.00 H new ATOM 0 HB3 GLU A 75 0.715 -4.845 -13.203 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -0.493 -3.513 -15.069 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.085 -3.287 -15.796 1.00 0.00 H new ATOM 1111 N GLU A 76 -0.154 -3.404 -10.980 1.00 0.00 N ATOM 1112 CA GLU A 76 -1.264 -3.532 -10.052 1.00 0.00 C ATOM 1113 C GLU A 76 -1.157 -2.479 -8.947 1.00 0.00 C ATOM 1114 O GLU A 76 -0.125 -1.824 -8.808 1.00 0.00 O ATOM 1115 CB GLU A 76 -1.326 -4.942 -9.462 1.00 0.00 C ATOM 1116 CG GLU A 76 -0.122 -5.211 -8.557 1.00 0.00 C ATOM 1117 CD GLU A 76 -0.082 -6.676 -8.117 1.00 0.00 C ATOM 1118 OE1 GLU A 76 -0.998 -7.066 -7.362 1.00 0.00 O ATOM 1119 OE2 GLU A 76 0.862 -7.373 -8.547 1.00 0.00 O ATOM 0 H GLU A 76 0.714 -3.840 -10.669 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.191 -3.362 -10.600 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.248 -5.062 -8.892 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -1.352 -5.676 -10.267 1.00 0.00 H new ATOM 0 HG2 GLU A 76 0.798 -4.961 -9.086 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.171 -4.566 -7.680 1.00 0.00 H new ATOM 1126 N GLY A 77 -2.237 -2.349 -8.191 1.00 0.00 N ATOM 1127 CA GLY A 77 -2.276 -1.387 -7.103 1.00 0.00 C ATOM 1128 C GLY A 77 -2.497 -2.086 -5.760 1.00 0.00 C ATOM 1129 O GLY A 77 -2.816 -3.274 -5.719 1.00 0.00 O ATOM 0 H GLY A 77 -3.091 -2.893 -8.310 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.342 -0.826 -7.075 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.075 -0.667 -7.278 1.00 0.00 H new ATOM 1133 N LEU A 78 -2.318 -1.321 -4.694 1.00 0.00 N ATOM 1134 CA LEU A 78 -2.493 -1.852 -3.353 1.00 0.00 C ATOM 1135 C LEU A 78 -3.986 -2.042 -3.075 1.00 0.00 C ATOM 1136 O LEU A 78 -4.827 -1.572 -3.839 1.00 0.00 O ATOM 1137 CB LEU A 78 -1.784 -0.964 -2.328 1.00 0.00 C ATOM 1138 CG LEU A 78 -0.302 -0.691 -2.588 1.00 0.00 C ATOM 1139 CD1 LEU A 78 0.338 0.035 -1.403 1.00 0.00 C ATOM 1140 CD2 LEU A 78 0.441 -1.982 -2.938 1.00 0.00 C ATOM 0 H LEU A 78 -2.053 -0.337 -4.731 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.025 -2.833 -3.268 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -2.306 -0.008 -2.282 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.881 -1.428 -1.346 1.00 0.00 H new ATOM 0 HG LEU A 78 -0.223 -0.030 -3.451 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.392 0.217 -1.614 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -0.169 0.986 -1.242 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.248 -0.580 -0.508 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.493 -1.759 -3.118 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.356 -2.687 -2.111 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.004 -2.421 -3.835 1.00 0.00 H new ATOM 1152 N VAL A 79 -4.268 -2.731 -1.979 1.00 0.00 N ATOM 1153 CA VAL A 79 -5.644 -2.988 -1.591 1.00 0.00 C ATOM 1154 C VAL A 79 -5.716 -3.169 -0.073 1.00 0.00 C ATOM 1155 O VAL A 79 -5.215 -4.156 0.462 1.00 0.00 O ATOM 1156 CB VAL A 79 -6.190 -4.191 -2.363 1.00 0.00 C ATOM 1157 CG1 VAL A 79 -7.672 -4.415 -2.055 1.00 0.00 C ATOM 1158 CG2 VAL A 79 -5.961 -4.027 -3.867 1.00 0.00 C ATOM 0 H VAL A 79 -3.567 -3.119 -1.348 1.00 0.00 H new ATOM 0 HA VAL A 79 -6.278 -2.139 -1.848 1.00 0.00 H new ATOM 0 HB VAL A 79 -5.643 -5.075 -2.035 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -8.034 -5.276 -2.617 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -7.798 -4.599 -0.988 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -8.241 -3.530 -2.340 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -6.358 -4.896 -4.392 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.469 -3.128 -4.216 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -4.893 -3.941 -4.065 1.00 0.00 H new ATOM 1168 N LEU A 80 -6.345 -2.201 0.577 1.00 0.00 N ATOM 1169 CA LEU A 80 -6.489 -2.241 2.022 1.00 0.00 C ATOM 1170 C LEU A 80 -7.974 -2.313 2.380 1.00 0.00 C ATOM 1171 O LEU A 80 -8.781 -1.545 1.857 1.00 0.00 O ATOM 1172 CB LEU A 80 -5.757 -1.061 2.666 1.00 0.00 C ATOM 1173 CG LEU A 80 -4.233 -1.176 2.739 1.00 0.00 C ATOM 1174 CD1 LEU A 80 -3.798 -2.639 2.845 1.00 0.00 C ATOM 1175 CD2 LEU A 80 -3.573 -0.466 1.556 1.00 0.00 C ATOM 0 H LEU A 80 -6.761 -1.384 0.129 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.019 -3.137 2.427 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.007 -0.157 2.111 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.140 -0.930 3.678 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.895 -0.674 3.645 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.710 -2.692 2.895 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -4.225 -3.081 3.745 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.148 -3.187 1.970 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.490 -0.563 1.632 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.913 -0.918 0.624 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.845 0.590 1.568 1.00 0.00 H new ATOM 1187 N PRO A 81 -8.300 -3.266 3.294 1.00 0.00 N ATOM 1188 CA PRO A 81 -9.675 -3.448 3.728 1.00 0.00 C ATOM 1189 C PRO A 81 -10.098 -2.335 4.688 1.00 0.00 C ATOM 1190 O PRO A 81 -9.478 -2.142 5.733 1.00 0.00 O ATOM 1191 CB PRO A 81 -9.706 -4.827 4.366 1.00 0.00 C ATOM 1192 CG PRO A 81 -8.260 -5.173 4.683 1.00 0.00 C ATOM 1193 CD PRO A 81 -7.372 -4.193 3.935 1.00 0.00 C ATOM 0 HA PRO A 81 -10.388 -3.388 2.906 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -10.314 -4.825 5.270 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -10.144 -5.561 3.689 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -8.079 -5.110 5.756 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -8.037 -6.197 4.382 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -6.698 -3.672 4.614 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -6.751 -4.704 3.199 1.00 0.00 H new ATOM 1201 N LEU A 82 -11.152 -1.632 4.300 1.00 0.00 N ATOM 1202 CA LEU A 82 -11.666 -0.543 5.113 1.00 0.00 C ATOM 1203 C LEU A 82 -13.173 -0.409 4.886 1.00 0.00 C ATOM 1204 O LEU A 82 -13.655 -0.597 3.769 1.00 0.00 O ATOM 1205 CB LEU A 82 -10.886 0.745 4.839 1.00 0.00 C ATOM 1206 CG LEU A 82 -11.404 2.004 5.537 1.00 0.00 C ATOM 1207 CD1 LEU A 82 -11.110 1.959 7.038 1.00 0.00 C ATOM 1208 CD2 LEU A 82 -10.840 3.266 4.881 1.00 0.00 C ATOM 0 H LEU A 82 -11.664 -1.795 3.433 1.00 0.00 H new ATOM 0 HA LEU A 82 -11.521 -0.757 6.172 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -9.849 0.589 5.137 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -10.885 0.924 3.764 1.00 0.00 H new ATOM 0 HG LEU A 82 -12.487 2.037 5.421 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -11.488 2.866 7.510 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -11.598 1.090 7.478 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -10.034 1.890 7.196 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -11.224 4.147 5.396 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -9.752 3.254 4.945 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -11.142 3.298 3.834 1.00 0.00 H new ATOM 1220 N ALA A 83 -13.875 -0.086 5.961 1.00 0.00 N ATOM 1221 CA ALA A 83 -15.318 0.075 5.893 1.00 0.00 C ATOM 1222 C ALA A 83 -15.650 1.537 5.591 1.00 0.00 C ATOM 1223 O ALA A 83 -15.009 2.445 6.120 1.00 0.00 O ATOM 1224 CB ALA A 83 -15.948 -0.408 7.201 1.00 0.00 C ATOM 0 H ALA A 83 -13.472 0.069 6.885 1.00 0.00 H new ATOM 0 HA ALA A 83 -15.734 -0.530 5.088 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -17.030 -0.287 7.150 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -15.707 -1.460 7.354 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -15.556 0.179 8.032 1.00 0.00 H new ATOM 1230 N GLU A 84 -16.650 1.721 4.742 1.00 0.00 N ATOM 1231 CA GLU A 84 -17.075 3.058 4.363 1.00 0.00 C ATOM 1232 C GLU A 84 -17.377 3.892 5.610 1.00 0.00 C ATOM 1233 O GLU A 84 -17.390 5.120 5.552 1.00 0.00 O ATOM 1234 CB GLU A 84 -18.287 3.005 3.432 1.00 0.00 C ATOM 1235 CG GLU A 84 -18.421 4.302 2.632 1.00 0.00 C ATOM 1236 CD GLU A 84 -19.891 4.627 2.356 1.00 0.00 C ATOM 1237 OE1 GLU A 84 -20.518 5.224 3.258 1.00 0.00 O ATOM 1238 OE2 GLU A 84 -20.353 4.272 1.251 1.00 0.00 O ATOM 0 H GLU A 84 -17.179 0.966 4.305 1.00 0.00 H new ATOM 0 HA GLU A 84 -16.261 3.536 3.818 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -18.189 2.161 2.749 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -19.192 2.839 4.016 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -17.961 5.122 3.183 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -17.882 4.209 1.689 1.00 0.00 H new ATOM 1245 N GLU A 85 -17.613 3.190 6.709 1.00 0.00 N ATOM 1246 CA GLU A 85 -17.914 3.851 7.968 1.00 0.00 C ATOM 1247 C GLU A 85 -16.620 4.234 8.690 1.00 0.00 C ATOM 1248 O GLU A 85 -16.638 5.044 9.615 1.00 0.00 O ATOM 1249 CB GLU A 85 -18.795 2.967 8.854 1.00 0.00 C ATOM 1250 CG GLU A 85 -18.116 1.626 9.138 1.00 0.00 C ATOM 1251 CD GLU A 85 -18.534 1.078 10.504 1.00 0.00 C ATOM 1252 OE1 GLU A 85 -18.807 1.915 11.392 1.00 0.00 O ATOM 1253 OE2 GLU A 85 -18.571 -0.164 10.630 1.00 0.00 O ATOM 0 H GLU A 85 -17.602 2.171 6.754 1.00 0.00 H new ATOM 0 HA GLU A 85 -18.470 4.763 7.753 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -19.003 3.480 9.793 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -19.754 2.797 8.365 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -18.378 0.910 8.359 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -17.033 1.749 9.107 1.00 0.00 H new ATOM 1260 N GLU A 86 -15.529 3.633 8.239 1.00 0.00 N ATOM 1261 CA GLU A 86 -14.229 3.900 8.830 1.00 0.00 C ATOM 1262 C GLU A 86 -13.375 4.738 7.877 1.00 0.00 C ATOM 1263 O GLU A 86 -12.176 4.908 8.097 1.00 0.00 O ATOM 1264 CB GLU A 86 -13.517 2.598 9.203 1.00 0.00 C ATOM 1265 CG GLU A 86 -14.476 1.628 9.896 1.00 0.00 C ATOM 1266 CD GLU A 86 -13.713 0.643 10.784 1.00 0.00 C ATOM 1267 OE1 GLU A 86 -12.920 -0.137 10.214 1.00 0.00 O ATOM 1268 OE2 GLU A 86 -13.939 0.693 12.012 1.00 0.00 O ATOM 0 H GLU A 86 -15.519 2.962 7.471 1.00 0.00 H new ATOM 0 HA GLU A 86 -14.379 4.468 9.748 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -13.109 2.133 8.306 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -12.675 2.815 9.861 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -15.192 2.187 10.499 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -15.049 1.080 9.148 1.00 0.00 H new ATOM 1275 N LEU A 87 -14.025 5.241 6.837 1.00 0.00 N ATOM 1276 CA LEU A 87 -13.340 6.057 5.850 1.00 0.00 C ATOM 1277 C LEU A 87 -12.861 7.352 6.508 1.00 0.00 C ATOM 1278 O LEU A 87 -11.691 7.715 6.394 1.00 0.00 O ATOM 1279 CB LEU A 87 -14.234 6.282 4.628 1.00 0.00 C ATOM 1280 CG LEU A 87 -14.163 5.211 3.539 1.00 0.00 C ATOM 1281 CD1 LEU A 87 -15.290 5.390 2.519 1.00 0.00 C ATOM 1282 CD2 LEU A 87 -12.785 5.195 2.873 1.00 0.00 C ATOM 0 H LEU A 87 -15.019 5.099 6.657 1.00 0.00 H new ATOM 0 HA LEU A 87 -12.454 5.542 5.478 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -15.267 6.359 4.968 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -13.973 7.242 4.183 1.00 0.00 H new ATOM 0 HG LEU A 87 -14.305 4.238 4.009 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -15.216 4.615 1.756 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -16.253 5.312 3.023 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -15.204 6.370 2.051 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -12.762 4.424 2.103 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -12.589 6.167 2.420 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -12.022 4.983 3.621 1.00 0.00 H new ATOM 1294 N PRO A 88 -13.814 8.031 7.201 1.00 0.00 N ATOM 1295 CA PRO A 88 -13.501 9.278 7.878 1.00 0.00 C ATOM 1296 C PRO A 88 -12.703 9.022 9.159 1.00 0.00 C ATOM 1297 O PRO A 88 -12.178 9.955 9.764 1.00 0.00 O ATOM 1298 CB PRO A 88 -14.847 9.933 8.139 1.00 0.00 C ATOM 1299 CG PRO A 88 -15.880 8.825 8.019 1.00 0.00 C ATOM 1300 CD PRO A 88 -15.209 7.632 7.358 1.00 0.00 C ATOM 0 HA PRO A 88 -12.864 9.931 7.282 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -14.875 10.387 9.129 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -15.041 10.728 7.418 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -16.262 8.551 9.002 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -16.732 9.160 7.427 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -15.298 6.737 7.973 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -15.666 7.404 6.395 1.00 0.00 H new ATOM 1308 N THR A 89 -12.637 7.752 9.533 1.00 0.00 N ATOM 1309 CA THR A 89 -11.912 7.362 10.730 1.00 0.00 C ATOM 1310 C THR A 89 -10.751 6.432 10.371 1.00 0.00 C ATOM 1311 O THR A 89 -10.385 5.559 11.156 1.00 0.00 O ATOM 1312 CB THR A 89 -12.912 6.736 11.705 1.00 0.00 C ATOM 1313 OG1 THR A 89 -13.047 5.393 11.249 1.00 0.00 O ATOM 1314 CG2 THR A 89 -14.318 7.322 11.558 1.00 0.00 C ATOM 0 H THR A 89 -13.074 6.981 9.028 1.00 0.00 H new ATOM 0 HA THR A 89 -11.458 8.225 11.216 1.00 0.00 H new ATOM 0 HB THR A 89 -12.562 6.882 12.727 1.00 0.00 H new ATOM 0 HG1 THR A 89 -12.224 4.897 11.444 1.00 0.00 H new ATOM 0 HG21 THR A 89 -14.988 6.844 12.272 1.00 0.00 H new ATOM 0 HG22 THR A 89 -14.287 8.394 11.751 1.00 0.00 H new ATOM 0 HG23 THR A 89 -14.681 7.146 10.546 1.00 0.00 H new ATOM 1322 N ALA A 90 -10.205 6.652 9.184 1.00 0.00 N ATOM 1323 CA ALA A 90 -9.093 5.845 8.711 1.00 0.00 C ATOM 1324 C ALA A 90 -8.107 6.737 7.953 1.00 0.00 C ATOM 1325 O ALA A 90 -8.442 7.860 7.579 1.00 0.00 O ATOM 1326 CB ALA A 90 -9.624 4.699 7.848 1.00 0.00 C ATOM 0 H ALA A 90 -10.512 7.377 8.536 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.558 5.400 9.550 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -8.790 4.094 7.493 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -10.296 4.079 8.441 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -10.165 5.107 6.994 1.00 0.00 H new ATOM 1332 N THR A 91 -6.912 6.203 7.750 1.00 0.00 N ATOM 1333 CA THR A 91 -5.875 6.937 7.043 1.00 0.00 C ATOM 1334 C THR A 91 -4.936 5.969 6.320 1.00 0.00 C ATOM 1335 O THR A 91 -4.569 4.930 6.865 1.00 0.00 O ATOM 1336 CB THR A 91 -5.160 7.836 8.054 1.00 0.00 C ATOM 1337 OG1 THR A 91 -6.196 8.258 8.937 1.00 0.00 O ATOM 1338 CG2 THR A 91 -4.653 9.135 7.425 1.00 0.00 C ATOM 0 H THR A 91 -6.638 5.271 8.062 1.00 0.00 H new ATOM 0 HA THR A 91 -6.299 7.571 6.265 1.00 0.00 H new ATOM 0 HB THR A 91 -4.322 7.294 8.493 1.00 0.00 H new ATOM 0 HG1 THR A 91 -5.820 8.845 9.626 1.00 0.00 H new ATOM 0 HG21 THR A 91 -4.154 9.736 8.185 1.00 0.00 H new ATOM 0 HG22 THR A 91 -3.949 8.902 6.626 1.00 0.00 H new ATOM 0 HG23 THR A 91 -5.495 9.694 7.015 1.00 0.00 H new ATOM 1346 N LEU A 92 -4.575 6.346 5.102 1.00 0.00 N ATOM 1347 CA LEU A 92 -3.686 5.525 4.298 1.00 0.00 C ATOM 1348 C LEU A 92 -2.285 6.140 4.304 1.00 0.00 C ATOM 1349 O LEU A 92 -2.097 7.269 3.852 1.00 0.00 O ATOM 1350 CB LEU A 92 -4.264 5.325 2.895 1.00 0.00 C ATOM 1351 CG LEU A 92 -3.344 4.640 1.882 1.00 0.00 C ATOM 1352 CD1 LEU A 92 -2.353 5.637 1.279 1.00 0.00 C ATOM 1353 CD2 LEU A 92 -2.636 3.437 2.510 1.00 0.00 C ATOM 0 H LEU A 92 -4.882 7.209 4.653 1.00 0.00 H new ATOM 0 HA LEU A 92 -3.598 4.527 4.727 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -5.178 4.738 2.981 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -4.547 6.300 2.498 1.00 0.00 H new ATOM 0 HG LEU A 92 -3.958 4.262 1.065 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -1.711 5.124 0.563 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -2.900 6.432 0.772 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -1.741 6.066 2.072 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -1.988 2.968 1.769 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -2.036 3.769 3.357 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -3.378 2.715 2.851 1.00 0.00 H new ATOM 1365 N THR A 93 -1.338 5.372 4.822 1.00 0.00 N ATOM 1366 CA THR A 93 0.040 5.827 4.893 1.00 0.00 C ATOM 1367 C THR A 93 0.917 5.024 3.931 1.00 0.00 C ATOM 1368 O THR A 93 1.108 3.823 4.115 1.00 0.00 O ATOM 1369 CB THR A 93 0.493 5.735 6.351 1.00 0.00 C ATOM 1370 OG1 THR A 93 -0.013 6.925 6.949 1.00 0.00 O ATOM 1371 CG2 THR A 93 2.011 5.860 6.501 1.00 0.00 C ATOM 0 H THR A 93 -1.498 4.437 5.197 1.00 0.00 H new ATOM 0 HA THR A 93 0.131 6.865 4.575 1.00 0.00 H new ATOM 0 HB THR A 93 0.162 4.786 6.774 1.00 0.00 H new ATOM 0 HG1 THR A 93 0.234 6.945 7.897 1.00 0.00 H new ATOM 0 HG21 THR A 93 2.280 5.788 7.555 1.00 0.00 H new ATOM 0 HG22 THR A 93 2.499 5.058 5.947 1.00 0.00 H new ATOM 0 HG23 THR A 93 2.337 6.823 6.108 1.00 0.00 H new ATOM 1379 N LEU A 94 1.429 5.720 2.926 1.00 0.00 N ATOM 1380 CA LEU A 94 2.282 5.086 1.935 1.00 0.00 C ATOM 1381 C LEU A 94 3.718 5.037 2.461 1.00 0.00 C ATOM 1382 O LEU A 94 4.149 5.935 3.182 1.00 0.00 O ATOM 1383 CB LEU A 94 2.146 5.789 0.583 1.00 0.00 C ATOM 1384 CG LEU A 94 0.748 5.781 -0.040 1.00 0.00 C ATOM 1385 CD1 LEU A 94 0.754 6.462 -1.410 1.00 0.00 C ATOM 1386 CD2 LEU A 94 0.186 4.360 -0.108 1.00 0.00 C ATOM 0 H LEU A 94 1.269 6.716 2.777 1.00 0.00 H new ATOM 0 HA LEU A 94 1.969 4.056 1.766 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.464 6.825 0.701 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.837 5.322 -0.118 1.00 0.00 H new ATOM 0 HG LEU A 94 0.084 6.359 0.603 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.251 6.442 -1.830 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.082 7.496 -1.301 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.436 5.933 -2.076 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -0.808 4.383 -0.555 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.843 3.738 -0.716 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.122 3.945 0.898 1.00 0.00 H new ATOM 1398 N THR A 95 4.418 3.979 2.080 1.00 0.00 N ATOM 1399 CA THR A 95 5.796 3.801 2.504 1.00 0.00 C ATOM 1400 C THR A 95 6.594 3.061 1.428 1.00 0.00 C ATOM 1401 O THR A 95 6.125 2.067 0.877 1.00 0.00 O ATOM 1402 CB THR A 95 5.786 3.083 3.855 1.00 0.00 C ATOM 1403 OG1 THR A 95 4.405 3.000 4.193 1.00 0.00 O ATOM 1404 CG2 THR A 95 6.394 3.932 4.974 1.00 0.00 C ATOM 0 H THR A 95 4.056 3.236 1.482 1.00 0.00 H new ATOM 0 HA THR A 95 6.297 4.760 2.633 1.00 0.00 H new ATOM 0 HB THR A 95 6.335 2.145 3.772 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.151 2.060 4.303 1.00 0.00 H new ATOM 0 HG21 THR A 95 6.362 3.376 5.911 1.00 0.00 H new ATOM 0 HG22 THR A 95 7.429 4.170 4.728 1.00 0.00 H new ATOM 0 HG23 THR A 95 5.824 4.855 5.081 1.00 0.00 H new ATOM 1412 N LEU A 96 7.786 3.575 1.163 1.00 0.00 N ATOM 1413 CA LEU A 96 8.653 2.975 0.163 1.00 0.00 C ATOM 1414 C LEU A 96 9.775 2.206 0.863 1.00 0.00 C ATOM 1415 O LEU A 96 10.769 2.797 1.284 1.00 0.00 O ATOM 1416 CB LEU A 96 9.154 4.037 -0.818 1.00 0.00 C ATOM 1417 CG LEU A 96 10.220 3.579 -1.816 1.00 0.00 C ATOM 1418 CD1 LEU A 96 9.661 2.517 -2.766 1.00 0.00 C ATOM 1419 CD2 LEU A 96 10.812 4.770 -2.572 1.00 0.00 C ATOM 0 H LEU A 96 8.172 4.400 1.623 1.00 0.00 H new ATOM 0 HA LEU A 96 8.099 2.254 -0.439 1.00 0.00 H new ATOM 0 HB2 LEU A 96 8.300 4.417 -1.378 1.00 0.00 H new ATOM 0 HB3 LEU A 96 9.556 4.872 -0.244 1.00 0.00 H new ATOM 0 HG LEU A 96 11.034 3.116 -1.258 1.00 0.00 H new ATOM 0 HD11 LEU A 96 10.438 2.209 -3.465 1.00 0.00 H new ATOM 0 HD12 LEU A 96 9.327 1.654 -2.191 1.00 0.00 H new ATOM 0 HD13 LEU A 96 8.819 2.932 -3.320 1.00 0.00 H new ATOM 0 HD21 LEU A 96 11.567 4.416 -3.274 1.00 0.00 H new ATOM 0 HD22 LEU A 96 10.021 5.284 -3.118 1.00 0.00 H new ATOM 0 HD23 LEU A 96 11.271 5.459 -1.863 1.00 0.00 H new ATOM 1431 N ARG A 97 9.580 0.900 0.966 1.00 0.00 N ATOM 1432 CA ARG A 97 10.563 0.044 1.607 1.00 0.00 C ATOM 1433 C ARG A 97 11.404 -0.680 0.554 1.00 0.00 C ATOM 1434 O ARG A 97 10.996 -0.794 -0.600 1.00 0.00 O ATOM 1435 CB ARG A 97 9.887 -0.991 2.510 1.00 0.00 C ATOM 1436 CG ARG A 97 9.307 -0.330 3.762 1.00 0.00 C ATOM 1437 CD ARG A 97 7.786 -0.489 3.810 1.00 0.00 C ATOM 1438 NE ARG A 97 7.310 -0.386 5.208 1.00 0.00 N ATOM 1439 CZ ARG A 97 7.350 -1.393 6.091 1.00 0.00 C ATOM 1440 NH1 ARG A 97 7.843 -2.584 5.727 1.00 0.00 N ATOM 1441 NH2 ARG A 97 6.896 -1.208 7.338 1.00 0.00 N ATOM 0 H ARG A 97 8.755 0.413 0.616 1.00 0.00 H new ATOM 0 HA ARG A 97 11.206 0.678 2.218 1.00 0.00 H new ATOM 0 HB2 ARG A 97 9.093 -1.496 1.960 1.00 0.00 H new ATOM 0 HB3 ARG A 97 10.610 -1.754 2.799 1.00 0.00 H new ATOM 0 HG2 ARG A 97 9.751 -0.776 4.652 1.00 0.00 H new ATOM 0 HG3 ARG A 97 9.566 0.729 3.772 1.00 0.00 H new ATOM 0 HD2 ARG A 97 7.312 0.279 3.198 1.00 0.00 H new ATOM 0 HD3 ARG A 97 7.499 -1.453 3.390 1.00 0.00 H new ATOM 0 HE ARG A 97 6.928 0.507 5.518 1.00 0.00 H new ATOM 0 HH11 ARG A 97 8.188 -2.725 4.777 1.00 0.00 H new ATOM 0 HH12 ARG A 97 7.873 -3.350 6.399 1.00 0.00 H new ATOM 0 HH21 ARG A 97 6.520 -0.301 7.615 1.00 0.00 H new ATOM 0 HH22 ARG A 97 6.926 -1.974 8.011 1.00 0.00 H new ATOM 1455 N THR A 98 12.564 -1.150 0.990 1.00 0.00 N ATOM 1456 CA THR A 98 13.466 -1.860 0.100 1.00 0.00 C ATOM 1457 C THR A 98 13.587 -3.326 0.520 1.00 0.00 C ATOM 1458 O THR A 98 13.336 -3.667 1.675 1.00 0.00 O ATOM 1459 CB THR A 98 14.804 -1.118 0.092 1.00 0.00 C ATOM 1460 OG1 THR A 98 15.124 -0.964 1.472 1.00 0.00 O ATOM 1461 CG2 THR A 98 14.674 0.318 -0.422 1.00 0.00 C ATOM 0 H THR A 98 12.900 -1.053 1.948 1.00 0.00 H new ATOM 0 HA THR A 98 13.081 -1.878 -0.920 1.00 0.00 H new ATOM 0 HB THR A 98 15.517 -1.663 -0.527 1.00 0.00 H new ATOM 0 HG1 THR A 98 15.979 -0.493 1.559 1.00 0.00 H new ATOM 0 HG21 THR A 98 15.652 0.800 -0.407 1.00 0.00 H new ATOM 0 HG22 THR A 98 14.291 0.306 -1.442 1.00 0.00 H new ATOM 0 HG23 THR A 98 13.987 0.872 0.217 1.00 0.00 H new ATOM 1469 N CYS A 99 13.972 -4.154 -0.440 1.00 0.00 N ATOM 1470 CA CYS A 99 14.129 -5.576 -0.183 1.00 0.00 C ATOM 1471 C CYS A 99 15.081 -5.747 1.003 1.00 0.00 C ATOM 1472 O CYS A 99 14.686 -5.557 2.152 1.00 0.00 O ATOM 1473 CB CYS A 99 14.623 -6.323 -1.424 1.00 0.00 C ATOM 1474 SG CYS A 99 15.000 -8.062 -0.998 1.00 0.00 S ATOM 0 H CYS A 99 14.180 -3.868 -1.397 1.00 0.00 H new ATOM 0 HA CYS A 99 13.161 -6.014 0.063 1.00 0.00 H new ATOM 0 HB2 CYS A 99 13.864 -6.288 -2.206 1.00 0.00 H new ATOM 0 HB3 CYS A 99 15.513 -5.836 -1.821 1.00 0.00 H new ATOM 0 HG CYS A 99 15.416 -8.688 -2.059 1.00 0.00 H new ATOM 1599 N VAL A 107 12.073 3.260 6.605 1.00 0.00 N ATOM 1600 CA VAL A 107 11.608 3.089 5.239 1.00 0.00 C ATOM 1601 C VAL A 107 12.336 4.082 4.329 1.00 0.00 C ATOM 1602 O VAL A 107 12.886 5.075 4.803 1.00 0.00 O ATOM 1603 CB VAL A 107 10.086 3.233 5.182 1.00 0.00 C ATOM 1604 CG1 VAL A 107 9.420 2.466 6.327 1.00 0.00 C ATOM 1605 CG2 VAL A 107 9.673 4.706 5.194 1.00 0.00 C ATOM 0 HA VAL A 107 11.840 2.087 4.880 1.00 0.00 H new ATOM 0 HB VAL A 107 9.743 2.798 4.243 1.00 0.00 H new ATOM 0 HG11 VAL A 107 8.338 2.585 6.264 1.00 0.00 H new ATOM 0 HG12 VAL A 107 9.674 1.409 6.253 1.00 0.00 H new ATOM 0 HG13 VAL A 107 9.773 2.858 7.281 1.00 0.00 H new ATOM 0 HG21 VAL A 107 8.586 4.780 5.153 1.00 0.00 H new ATOM 0 HG22 VAL A 107 10.034 5.178 6.108 1.00 0.00 H new ATOM 0 HG23 VAL A 107 10.104 5.212 4.330 1.00 0.00 H new ATOM 1615 N ALA A 108 12.317 3.778 3.040 1.00 0.00 N ATOM 1616 CA ALA A 108 12.968 4.631 2.060 1.00 0.00 C ATOM 1617 C ALA A 108 12.218 5.961 1.970 1.00 0.00 C ATOM 1618 O ALA A 108 12.732 6.931 1.414 1.00 0.00 O ATOM 1619 CB ALA A 108 13.033 3.905 0.715 1.00 0.00 C ATOM 0 H ALA A 108 11.861 2.953 2.651 1.00 0.00 H new ATOM 0 HA ALA A 108 13.992 4.851 2.361 1.00 0.00 H new ATOM 0 HB1 ALA A 108 13.521 4.544 -0.020 1.00 0.00 H new ATOM 0 HB2 ALA A 108 13.601 2.982 0.827 1.00 0.00 H new ATOM 0 HB3 ALA A 108 12.023 3.671 0.379 1.00 0.00 H new ATOM 1625 N GLY A 109 11.015 5.964 2.524 1.00 0.00 N ATOM 1626 CA GLY A 109 10.189 7.160 2.512 1.00 0.00 C ATOM 1627 C GLY A 109 8.740 6.829 2.878 1.00 0.00 C ATOM 1628 O GLY A 109 8.227 5.775 2.505 1.00 0.00 O ATOM 0 H GLY A 109 10.592 5.158 2.984 1.00 0.00 H new ATOM 0 HA2 GLY A 109 10.588 7.889 3.217 1.00 0.00 H new ATOM 0 HA3 GLY A 109 10.223 7.620 1.524 1.00 0.00 H new ATOM 1632 N GLU A 110 8.122 7.749 3.604 1.00 0.00 N ATOM 1633 CA GLU A 110 6.743 7.568 4.024 1.00 0.00 C ATOM 1634 C GLU A 110 5.868 8.697 3.474 1.00 0.00 C ATOM 1635 O GLU A 110 6.352 9.802 3.235 1.00 0.00 O ATOM 1636 CB GLU A 110 6.640 7.488 5.549 1.00 0.00 C ATOM 1637 CG GLU A 110 5.249 7.909 6.027 1.00 0.00 C ATOM 1638 CD GLU A 110 5.166 7.890 7.555 1.00 0.00 C ATOM 1639 OE1 GLU A 110 6.176 8.273 8.183 1.00 0.00 O ATOM 1640 OE2 GLU A 110 4.094 7.493 8.060 1.00 0.00 O ATOM 0 H GLU A 110 8.551 8.622 3.912 1.00 0.00 H new ATOM 0 HA GLU A 110 6.381 6.623 3.618 1.00 0.00 H new ATOM 0 HB2 GLU A 110 6.849 6.470 5.878 1.00 0.00 H new ATOM 0 HB3 GLU A 110 7.394 8.131 6.002 1.00 0.00 H new ATOM 0 HG2 GLU A 110 5.021 8.909 5.659 1.00 0.00 H new ATOM 0 HG3 GLU A 110 4.498 7.238 5.610 1.00 0.00 H new ATOM 1647 N LEU A 111 4.595 8.379 3.289 1.00 0.00 N ATOM 1648 CA LEU A 111 3.649 9.352 2.771 1.00 0.00 C ATOM 1649 C LEU A 111 2.318 9.206 3.512 1.00 0.00 C ATOM 1650 O LEU A 111 1.911 8.097 3.853 1.00 0.00 O ATOM 1651 CB LEU A 111 3.524 9.223 1.252 1.00 0.00 C ATOM 1652 CG LEU A 111 3.765 10.502 0.448 1.00 0.00 C ATOM 1653 CD1 LEU A 111 4.269 10.179 -0.960 1.00 0.00 C ATOM 1654 CD2 LEU A 111 2.509 11.376 0.420 1.00 0.00 C ATOM 0 H LEU A 111 4.197 7.461 3.489 1.00 0.00 H new ATOM 0 HA LEU A 111 4.007 10.365 2.953 1.00 0.00 H new ATOM 0 HB2 LEU A 111 4.230 8.466 0.912 1.00 0.00 H new ATOM 0 HB3 LEU A 111 2.525 8.854 1.020 1.00 0.00 H new ATOM 0 HG LEU A 111 4.547 11.076 0.946 1.00 0.00 H new ATOM 0 HD11 LEU A 111 4.432 11.106 -1.510 1.00 0.00 H new ATOM 0 HD12 LEU A 111 5.207 9.627 -0.893 1.00 0.00 H new ATOM 0 HD13 LEU A 111 3.528 9.573 -1.482 1.00 0.00 H new ATOM 0 HD21 LEU A 111 2.707 12.279 -0.158 1.00 0.00 H new ATOM 0 HD22 LEU A 111 1.691 10.822 -0.041 1.00 0.00 H new ATOM 0 HD23 LEU A 111 2.234 11.650 1.438 1.00 0.00 H new ATOM 1666 N ARG A 112 1.676 10.343 3.739 1.00 0.00 N ATOM 1667 CA ARG A 112 0.400 10.356 4.433 1.00 0.00 C ATOM 1668 C ARG A 112 -0.723 10.754 3.473 1.00 0.00 C ATOM 1669 O ARG A 112 -0.538 11.623 2.622 1.00 0.00 O ATOM 1670 CB ARG A 112 0.423 11.332 5.611 1.00 0.00 C ATOM 1671 CG ARG A 112 -0.968 11.477 6.231 1.00 0.00 C ATOM 1672 CD ARG A 112 -1.292 10.287 7.137 1.00 0.00 C ATOM 1673 NE ARG A 112 -2.297 10.680 8.150 1.00 0.00 N ATOM 1674 CZ ARG A 112 -2.494 10.029 9.304 1.00 0.00 C ATOM 1675 NH1 ARG A 112 -1.758 8.949 9.598 1.00 0.00 N ATOM 1676 NH2 ARG A 112 -3.429 10.457 10.164 1.00 0.00 N ATOM 0 H ARG A 112 2.016 11.262 3.454 1.00 0.00 H new ATOM 0 HA ARG A 112 0.220 9.350 4.812 1.00 0.00 H new ATOM 0 HB2 ARG A 112 1.126 10.980 6.366 1.00 0.00 H new ATOM 0 HB3 ARG A 112 0.778 12.306 5.274 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -1.019 12.401 6.807 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -1.716 11.552 5.442 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -1.671 9.457 6.540 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -0.385 9.937 7.630 1.00 0.00 H new ATOM 0 HE ARG A 112 -2.876 11.498 7.957 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -1.048 8.622 8.943 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -1.908 8.453 10.477 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -3.991 11.278 9.940 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -3.579 9.961 11.043 1.00 0.00 H new ATOM 1690 N LEU A 113 -1.862 10.099 3.640 1.00 0.00 N ATOM 1691 CA LEU A 113 -3.014 10.373 2.799 1.00 0.00 C ATOM 1692 C LEU A 113 -4.295 10.147 3.605 1.00 0.00 C ATOM 1693 O LEU A 113 -4.243 9.678 4.741 1.00 0.00 O ATOM 1694 CB LEU A 113 -2.945 9.550 1.511 1.00 0.00 C ATOM 1695 CG LEU A 113 -1.614 9.593 0.758 1.00 0.00 C ATOM 1696 CD1 LEU A 113 -1.568 8.524 -0.336 1.00 0.00 C ATOM 1697 CD2 LEU A 113 -1.341 10.992 0.204 1.00 0.00 C ATOM 0 H LEU A 113 -2.012 9.378 4.346 1.00 0.00 H new ATOM 0 HA LEU A 113 -3.015 11.416 2.484 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -3.168 8.511 1.755 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -3.731 9.896 0.840 1.00 0.00 H new ATOM 0 HG LEU A 113 -0.815 9.366 1.464 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -0.611 8.576 -0.856 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -1.683 7.538 0.114 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -2.377 8.695 -1.046 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -0.389 10.994 -0.326 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -2.139 11.274 -0.483 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -1.300 11.707 1.026 1.00 0.00 H new ATOM 1709 N GLY A 114 -5.414 10.492 2.986 1.00 0.00 N ATOM 1710 CA GLY A 114 -6.706 10.333 3.632 1.00 0.00 C ATOM 1711 C GLY A 114 -7.694 9.611 2.713 1.00 0.00 C ATOM 1712 O GLY A 114 -7.499 9.568 1.499 1.00 0.00 O ATOM 0 H GLY A 114 -5.453 10.881 2.044 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -6.587 9.770 4.558 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -7.104 11.311 3.903 1.00 0.00 H new ATOM 1716 N LEU A 115 -8.732 9.063 3.326 1.00 0.00 N ATOM 1717 CA LEU A 115 -9.750 8.346 2.578 1.00 0.00 C ATOM 1718 C LEU A 115 -11.059 9.138 2.618 1.00 0.00 C ATOM 1719 O LEU A 115 -11.885 9.024 1.713 1.00 0.00 O ATOM 1720 CB LEU A 115 -9.884 6.912 3.094 1.00 0.00 C ATOM 1721 CG LEU A 115 -8.585 6.235 3.537 1.00 0.00 C ATOM 1722 CD1 LEU A 115 -7.448 6.539 2.560 1.00 0.00 C ATOM 1723 CD2 LEU A 115 -8.227 6.623 4.973 1.00 0.00 C ATOM 0 H LEU A 115 -8.890 9.101 4.333 1.00 0.00 H new ATOM 0 HA LEU A 115 -9.461 8.258 1.531 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -10.576 6.913 3.936 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -10.338 6.306 2.310 1.00 0.00 H new ATOM 0 HG LEU A 115 -8.740 5.156 3.524 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -6.536 6.046 2.898 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -7.713 6.172 1.568 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -7.284 7.616 2.517 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -7.300 6.128 5.263 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -8.097 7.703 5.036 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -9.028 6.314 5.644 1.00 0.00 H new ATOM 1735 N ASP A 116 -11.207 9.923 3.674 1.00 0.00 N ATOM 1736 CA ASP A 116 -12.401 10.734 3.843 1.00 0.00 C ATOM 1737 C ASP A 116 -12.674 11.507 2.552 1.00 0.00 C ATOM 1738 O ASP A 116 -13.828 11.741 2.197 1.00 0.00 O ATOM 1739 CB ASP A 116 -12.221 11.749 4.973 1.00 0.00 C ATOM 1740 CG ASP A 116 -13.144 12.968 4.900 1.00 0.00 C ATOM 1741 OD1 ASP A 116 -12.726 13.959 4.264 1.00 0.00 O ATOM 1742 OD2 ASP A 116 -14.246 12.880 5.483 1.00 0.00 O ATOM 0 H ASP A 116 -10.520 10.015 4.422 1.00 0.00 H new ATOM 0 HA ASP A 116 -13.230 10.068 4.084 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -12.386 11.244 5.925 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -11.187 12.094 4.970 1.00 0.00 H new ATOM 1747 N GLY A 117 -11.593 11.882 1.884 1.00 0.00 N ATOM 1748 CA GLY A 117 -11.702 12.624 0.640 1.00 0.00 C ATOM 1749 C GLY A 117 -11.273 14.080 0.830 1.00 0.00 C ATOM 1750 O GLY A 117 -11.716 14.962 0.096 1.00 0.00 O ATOM 0 H GLY A 117 -10.637 11.686 2.181 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -11.081 12.155 -0.123 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -12.730 12.588 0.280 1.00 0.00 H new ATOM 1754 N THR A 118 -10.417 14.287 1.820 1.00 0.00 N ATOM 1755 CA THR A 118 -9.924 15.622 2.116 1.00 0.00 C ATOM 1756 C THR A 118 -8.522 15.813 1.536 1.00 0.00 C ATOM 1757 O THR A 118 -8.369 16.313 0.423 1.00 0.00 O ATOM 1758 CB THR A 118 -9.988 15.823 3.632 1.00 0.00 C ATOM 1759 OG1 THR A 118 -11.375 16.013 3.899 1.00 0.00 O ATOM 1760 CG2 THR A 118 -9.340 17.137 4.075 1.00 0.00 C ATOM 0 H THR A 118 -10.052 13.553 2.427 1.00 0.00 H new ATOM 0 HA THR A 118 -10.543 16.386 1.646 1.00 0.00 H new ATOM 0 HB THR A 118 -9.495 14.988 4.130 1.00 0.00 H new ATOM 0 HG1 THR A 118 -11.745 15.199 4.300 1.00 0.00 H new ATOM 0 HG21 THR A 118 -9.412 17.231 5.159 1.00 0.00 H new ATOM 0 HG22 THR A 118 -8.291 17.143 3.779 1.00 0.00 H new ATOM 0 HG23 THR A 118 -9.855 17.974 3.603 1.00 0.00 H new ATOM 1768 N SER A 119 -7.532 15.405 2.317 1.00 0.00 N ATOM 1769 CA SER A 119 -6.147 15.526 1.895 1.00 0.00 C ATOM 1770 C SER A 119 -6.030 15.239 0.397 1.00 0.00 C ATOM 1771 O SER A 119 -5.496 16.053 -0.354 1.00 0.00 O ATOM 1772 CB SER A 119 -5.245 14.578 2.689 1.00 0.00 C ATOM 1773 OG SER A 119 -5.057 15.020 4.031 1.00 0.00 O ATOM 0 H SER A 119 -7.662 14.990 3.240 1.00 0.00 H new ATOM 0 HA SER A 119 -5.817 16.547 2.090 1.00 0.00 H new ATOM 0 HB2 SER A 119 -5.683 13.580 2.694 1.00 0.00 H new ATOM 0 HB3 SER A 119 -4.277 14.499 2.194 1.00 0.00 H new ATOM 0 HG SER A 119 -4.477 14.388 4.505 1.00 0.00 H new ATOM 1779 N VAL A 120 -6.538 14.079 0.007 1.00 0.00 N ATOM 1780 CA VAL A 120 -6.498 13.675 -1.388 1.00 0.00 C ATOM 1781 C VAL A 120 -7.840 13.051 -1.773 1.00 0.00 C ATOM 1782 O VAL A 120 -8.389 12.242 -1.027 1.00 0.00 O ATOM 1783 CB VAL A 120 -5.312 12.738 -1.627 1.00 0.00 C ATOM 1784 CG1 VAL A 120 -5.177 11.724 -0.489 1.00 0.00 C ATOM 1785 CG2 VAL A 120 -5.435 12.032 -2.979 1.00 0.00 C ATOM 0 H VAL A 120 -6.980 13.406 0.633 1.00 0.00 H new ATOM 0 HA VAL A 120 -6.346 14.541 -2.032 1.00 0.00 H new ATOM 0 HB VAL A 120 -4.405 13.343 -1.646 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -4.327 11.070 -0.683 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -5.021 12.252 0.452 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -6.087 11.127 -0.424 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -4.580 11.372 -3.124 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -6.354 11.446 -3.001 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -5.460 12.775 -3.776 1.00 0.00 H new ATOM 1795 N PRO A 121 -8.343 13.462 -2.968 1.00 0.00 N ATOM 1796 CA PRO A 121 -9.611 12.951 -3.462 1.00 0.00 C ATOM 1797 C PRO A 121 -9.462 11.518 -3.977 1.00 0.00 C ATOM 1798 O PRO A 121 -8.349 11.007 -4.088 1.00 0.00 O ATOM 1799 CB PRO A 121 -10.035 13.931 -4.544 1.00 0.00 C ATOM 1800 CG PRO A 121 -8.776 14.687 -4.938 1.00 0.00 C ATOM 1801 CD PRO A 121 -7.720 14.419 -3.878 1.00 0.00 C ATOM 0 HA PRO A 121 -10.371 12.885 -2.683 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -10.460 13.408 -5.400 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -10.801 14.613 -4.175 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -8.425 14.361 -5.917 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -8.980 15.755 -5.012 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -6.810 14.011 -4.319 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -7.439 15.335 -3.358 1.00 0.00 H new ATOM 1809 N LEU A 122 -10.600 10.911 -4.279 1.00 0.00 N ATOM 1810 CA LEU A 122 -10.610 9.547 -4.780 1.00 0.00 C ATOM 1811 C LEU A 122 -10.636 9.571 -6.310 1.00 0.00 C ATOM 1812 O LEU A 122 -11.036 10.566 -6.912 1.00 0.00 O ATOM 1813 CB LEU A 122 -11.763 8.756 -4.158 1.00 0.00 C ATOM 1814 CG LEU A 122 -11.613 8.407 -2.676 1.00 0.00 C ATOM 1815 CD1 LEU A 122 -12.948 7.953 -2.082 1.00 0.00 C ATOM 1816 CD2 LEU A 122 -10.510 7.368 -2.466 1.00 0.00 C ATOM 0 H LEU A 122 -11.522 11.338 -4.186 1.00 0.00 H new ATOM 0 HA LEU A 122 -9.700 9.026 -4.484 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -12.681 9.330 -4.285 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -11.886 7.829 -4.719 1.00 0.00 H new ATOM 0 HG LEU A 122 -11.312 9.308 -2.142 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -12.814 7.711 -1.028 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -13.681 8.754 -2.180 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -13.302 7.070 -2.615 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -10.424 7.138 -1.404 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -10.757 6.459 -3.015 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -9.562 7.765 -2.829 1.00 0.00 H new ATOM 1828 N GLY A 123 -10.205 8.463 -6.894 1.00 0.00 N ATOM 1829 CA GLY A 123 -10.174 8.344 -8.342 1.00 0.00 C ATOM 1830 C GLY A 123 -9.399 9.504 -8.971 1.00 0.00 C ATOM 1831 O GLY A 123 -9.543 9.778 -10.161 1.00 0.00 O ATOM 0 H GLY A 123 -9.874 7.640 -6.391 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -9.711 7.398 -8.623 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -11.192 8.329 -8.731 1.00 0.00 H new ATOM 1835 N ALA A 124 -8.594 10.153 -8.143 1.00 0.00 N ATOM 1836 CA ALA A 124 -7.796 11.277 -8.603 1.00 0.00 C ATOM 1837 C ALA A 124 -6.326 11.027 -8.261 1.00 0.00 C ATOM 1838 O ALA A 124 -5.909 11.218 -7.120 1.00 0.00 O ATOM 1839 CB ALA A 124 -8.328 12.570 -7.980 1.00 0.00 C ATOM 0 H ALA A 124 -8.477 9.922 -7.156 1.00 0.00 H new ATOM 0 HA ALA A 124 -7.869 11.382 -9.685 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -7.730 13.413 -8.325 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -9.366 12.717 -8.277 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -8.267 12.502 -6.894 1.00 0.00 H new ATOM 1845 N ALA A 125 -5.580 10.604 -9.271 1.00 0.00 N ATOM 1846 CA ALA A 125 -4.165 10.326 -9.092 1.00 0.00 C ATOM 1847 C ALA A 125 -3.432 11.628 -8.763 1.00 0.00 C ATOM 1848 O ALA A 125 -3.764 12.684 -9.300 1.00 0.00 O ATOM 1849 CB ALA A 125 -3.615 9.648 -10.348 1.00 0.00 C ATOM 0 H ALA A 125 -5.929 10.447 -10.216 1.00 0.00 H new ATOM 0 HA ALA A 125 -4.011 9.641 -8.258 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -2.554 9.439 -10.214 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -4.149 8.714 -10.521 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -3.750 10.307 -11.206 1.00 0.00 H new ATOM 1855 N GLN A 126 -2.448 11.509 -7.884 1.00 0.00 N ATOM 1856 CA GLN A 126 -1.665 12.664 -7.477 1.00 0.00 C ATOM 1857 C GLN A 126 -0.183 12.294 -7.384 1.00 0.00 C ATOM 1858 O GLN A 126 0.158 11.135 -7.152 1.00 0.00 O ATOM 1859 CB GLN A 126 -2.173 13.231 -6.150 1.00 0.00 C ATOM 1860 CG GLN A 126 -3.702 13.236 -6.105 1.00 0.00 C ATOM 1861 CD GLN A 126 -4.276 14.263 -7.083 1.00 0.00 C ATOM 1862 OE1 GLN A 126 -3.586 14.807 -7.929 1.00 0.00 O ATOM 1863 NE2 GLN A 126 -5.575 14.498 -6.920 1.00 0.00 N ATOM 0 H GLN A 126 -2.175 10.631 -7.442 1.00 0.00 H new ATOM 0 HA GLN A 126 -1.779 13.441 -8.233 1.00 0.00 H new ATOM 0 HB2 GLN A 126 -1.783 12.637 -5.324 1.00 0.00 H new ATOM 0 HB3 GLN A 126 -1.798 14.246 -6.017 1.00 0.00 H new ATOM 0 HG2 GLN A 126 -4.080 12.244 -6.351 1.00 0.00 H new ATOM 0 HG3 GLN A 126 -4.039 13.464 -5.094 1.00 0.00 H new ATOM 0 HE21 GLN A 126 -6.094 14.008 -6.192 1.00 0.00 H new ATOM 0 HE22 GLN A 126 -6.052 15.168 -7.523 1.00 0.00 H new ATOM 1872 N TRP A 127 0.658 13.300 -7.571 1.00 0.00 N ATOM 1873 CA TRP A 127 2.095 13.095 -7.511 1.00 0.00 C ATOM 1874 C TRP A 127 2.602 13.684 -6.193 1.00 0.00 C ATOM 1875 O TRP A 127 3.179 14.771 -6.176 1.00 0.00 O ATOM 1876 CB TRP A 127 2.786 13.693 -8.738 1.00 0.00 C ATOM 1877 CG TRP A 127 3.037 12.687 -9.863 1.00 0.00 C ATOM 1878 CD1 TRP A 127 2.432 12.616 -11.056 1.00 0.00 C ATOM 1879 CD2 TRP A 127 3.991 11.604 -9.851 1.00 0.00 C ATOM 1880 NE1 TRP A 127 2.924 11.571 -11.811 1.00 0.00 N ATOM 1881 CE2 TRP A 127 3.902 10.936 -11.055 1.00 0.00 C ATOM 1882 CE3 TRP A 127 4.899 11.203 -8.855 1.00 0.00 C ATOM 1883 CZ2 TRP A 127 4.693 9.826 -11.376 1.00 0.00 C ATOM 1884 CZ3 TRP A 127 5.683 10.092 -9.192 1.00 0.00 C ATOM 1885 CH2 TRP A 127 5.605 9.408 -10.400 1.00 0.00 C ATOM 0 H TRP A 127 0.372 14.260 -7.764 1.00 0.00 H new ATOM 0 HA TRP A 127 2.334 12.032 -7.532 1.00 0.00 H new ATOM 0 HB2 TRP A 127 2.176 14.509 -9.124 1.00 0.00 H new ATOM 0 HB3 TRP A 127 3.739 14.125 -8.431 1.00 0.00 H new ATOM 0 HD1 TRP A 127 1.657 13.292 -11.386 1.00 0.00 H new ATOM 0 HE1 TRP A 127 2.625 11.312 -12.751 1.00 0.00 H new ATOM 0 HE3 TRP A 127 4.985 11.711 -7.906 1.00 0.00 H new ATOM 0 HZ2 TRP A 127 4.604 9.320 -12.326 1.00 0.00 H new ATOM 0 HZ3 TRP A 127 6.398 9.742 -8.462 1.00 0.00 H new ATOM 0 HH2 TRP A 127 6.245 8.558 -10.584 1.00 0.00 H new ATOM 1896 N GLY A 128 2.369 12.941 -5.121 1.00 0.00 N ATOM 1897 CA GLY A 128 2.795 13.377 -3.802 1.00 0.00 C ATOM 1898 C GLY A 128 4.236 12.947 -3.521 1.00 0.00 C ATOM 1899 O GLY A 128 4.659 11.870 -3.939 1.00 0.00 O ATOM 0 H GLY A 128 1.891 12.040 -5.139 1.00 0.00 H new ATOM 0 HA2 GLY A 128 2.715 14.462 -3.730 1.00 0.00 H new ATOM 0 HA3 GLY A 128 2.132 12.958 -3.045 1.00 0.00 H new ATOM 1903 N GLU A 129 4.951 13.811 -2.816 1.00 0.00 N ATOM 1904 CA GLU A 129 6.336 13.535 -2.475 1.00 0.00 C ATOM 1905 C GLU A 129 6.412 12.717 -1.184 1.00 0.00 C ATOM 1906 O GLU A 129 5.486 12.741 -0.375 1.00 0.00 O ATOM 1907 CB GLU A 129 7.139 14.831 -2.351 1.00 0.00 C ATOM 1908 CG GLU A 129 8.062 15.022 -3.557 1.00 0.00 C ATOM 1909 CD GLU A 129 7.501 16.075 -4.515 1.00 0.00 C ATOM 1910 OE1 GLU A 129 6.548 15.727 -5.245 1.00 0.00 O ATOM 1911 OE2 GLU A 129 8.038 17.203 -4.495 1.00 0.00 O ATOM 0 H GLU A 129 4.597 14.703 -2.471 1.00 0.00 H new ATOM 0 HA GLU A 129 6.778 12.948 -3.280 1.00 0.00 H new ATOM 0 HB2 GLU A 129 6.458 15.679 -2.272 1.00 0.00 H new ATOM 0 HB3 GLU A 129 7.730 14.810 -1.436 1.00 0.00 H new ATOM 0 HG2 GLU A 129 9.052 15.325 -3.217 1.00 0.00 H new ATOM 0 HG3 GLU A 129 8.181 14.074 -4.082 1.00 0.00 H new ATOM 1918 N LEU A 130 7.524 12.013 -1.032 1.00 0.00 N ATOM 1919 CA LEU A 130 7.732 11.189 0.147 1.00 0.00 C ATOM 1920 C LEU A 130 8.218 12.070 1.300 1.00 0.00 C ATOM 1921 O LEU A 130 9.057 12.948 1.104 1.00 0.00 O ATOM 1922 CB LEU A 130 8.670 10.023 -0.173 1.00 0.00 C ATOM 1923 CG LEU A 130 8.080 8.904 -1.034 1.00 0.00 C ATOM 1924 CD1 LEU A 130 9.180 7.989 -1.574 1.00 0.00 C ATOM 1925 CD2 LEU A 130 7.012 8.125 -0.263 1.00 0.00 C ATOM 0 H LEU A 130 8.290 11.996 -1.705 1.00 0.00 H new ATOM 0 HA LEU A 130 6.793 10.735 0.465 1.00 0.00 H new ATOM 0 HB2 LEU A 130 9.550 10.419 -0.680 1.00 0.00 H new ATOM 0 HB3 LEU A 130 9.012 9.589 0.767 1.00 0.00 H new ATOM 0 HG LEU A 130 7.589 9.358 -1.895 1.00 0.00 H new ATOM 0 HD11 LEU A 130 8.733 7.203 -2.182 1.00 0.00 H new ATOM 0 HD12 LEU A 130 9.871 8.571 -2.184 1.00 0.00 H new ATOM 0 HD13 LEU A 130 9.721 7.540 -0.741 1.00 0.00 H new ATOM 0 HD21 LEU A 130 6.609 7.336 -0.897 1.00 0.00 H new ATOM 0 HD22 LEU A 130 7.457 7.683 0.628 1.00 0.00 H new ATOM 0 HD23 LEU A 130 6.209 8.801 0.030 1.00 0.00 H new ATOM 1937 N LYS A 131 7.670 11.805 2.476 1.00 0.00 N ATOM 1938 CA LYS A 131 8.036 12.562 3.661 1.00 0.00 C ATOM 1939 C LYS A 131 9.046 11.758 4.483 1.00 0.00 C ATOM 1940 O LYS A 131 8.782 11.418 5.635 1.00 0.00 O ATOM 1941 CB LYS A 131 6.787 12.968 4.446 1.00 0.00 C ATOM 1942 CG LYS A 131 5.900 13.902 3.620 1.00 0.00 C ATOM 1943 CD LYS A 131 6.501 15.307 3.548 1.00 0.00 C ATOM 1944 CE LYS A 131 6.846 15.682 2.105 1.00 0.00 C ATOM 1945 NZ LYS A 131 6.932 17.152 1.958 1.00 0.00 N ATOM 0 H LYS A 131 6.974 11.076 2.634 1.00 0.00 H new ATOM 0 HA LYS A 131 8.524 13.495 3.381 1.00 0.00 H new ATOM 0 HB2 LYS A 131 6.223 12.078 4.725 1.00 0.00 H new ATOM 0 HB3 LYS A 131 7.080 13.463 5.372 1.00 0.00 H new ATOM 0 HG2 LYS A 131 5.782 13.501 2.613 1.00 0.00 H new ATOM 0 HG3 LYS A 131 4.905 13.950 4.063 1.00 0.00 H new ATOM 0 HD2 LYS A 131 5.795 16.030 3.957 1.00 0.00 H new ATOM 0 HD3 LYS A 131 7.399 15.355 4.165 1.00 0.00 H new ATOM 0 HE2 LYS A 131 7.795 15.226 1.821 1.00 0.00 H new ATOM 0 HE3 LYS A 131 6.088 15.287 1.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 7.167 17.389 0.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 6.018 17.580 2.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 7.672 17.521 2.589 1.00 0.00 H new