USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 552 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 52 SER OG : rot -41:sc= 1.07 USER MOD Set 1.2: A 78 TYR OH : rot 10:sc= 2.18 USER MOD Set 2.1: A 36 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 66 CYS SG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.071) USER MOD Single : A 17 GLN : amide:sc=-0.00424 X(o=-0.0042,f=-0.33) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 24:sc= 0.0989 USER MOD Single : A 27 ASN : amide:sc= -2.68! K(o=-2.7!,f=-0.24) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -1.99 K(o=-2,f=-0.58) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.229 USER MOD Single : A 54 SER OG : rot 180:sc= -0.575 USER MOD Single : A 55 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.243) USER MOD Single : A 57 ASN : amide:sc= -0.825 X(o=-0.82,f=-0.82) USER MOD Single : A 58 CYS SG : rot 4:sc= -0.319 USER MOD Single : A 67 SER OG : rot 180:sc=-0.00239 USER MOD Single : A 70 TYR OH : rot 156:sc= 0.449 USER MOD Single : A 81 ASN : amide:sc= -0.476 X(o=-0.48,f=-0.041) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 HIS : no HD1:sc= -1.7 X(o=-1.7,f=-1.9) USER MOD Single : A 92 SER OG : rot -120:sc= -0.923 USER MOD Single : A 99 LYS NZ :NH3+ -165:sc= 0.0454 (180deg=0.0149) USER MOD ----------------------------------------------------------------- ATOM 101 N PRO A 11 -0.011 15.267 2.090 1.00 0.00 N ATOM 102 CA PRO A 11 -0.467 13.874 2.102 1.00 0.00 C ATOM 103 C PRO A 11 -1.725 13.669 1.264 1.00 0.00 C ATOM 104 O PRO A 11 -2.087 12.539 0.938 1.00 0.00 O ATOM 105 CB PRO A 11 -0.761 13.609 3.581 1.00 0.00 C ATOM 106 CG PRO A 11 -1.058 14.952 4.154 1.00 0.00 C ATOM 107 CD PRO A 11 -0.201 15.926 3.393 1.00 0.00 C ATOM 0 HA PRO A 11 0.274 13.199 1.673 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.606 12.931 3.702 1.00 0.00 H new ATOM 0 HB3 PRO A 11 0.092 13.146 4.078 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -2.115 15.196 4.048 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -0.830 14.981 5.219 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -0.691 16.894 3.286 1.00 0.00 H new ATOM 0 HD3 PRO A 11 0.750 16.103 3.896 1.00 0.00 H new ATOM 115 N SER A 12 -2.386 14.769 0.919 1.00 0.00 N ATOM 116 CA SER A 12 -3.606 14.709 0.122 1.00 0.00 C ATOM 117 C SER A 12 -3.278 14.611 -1.365 1.00 0.00 C ATOM 118 O SER A 12 -4.095 14.149 -2.162 1.00 0.00 O ATOM 119 CB SER A 12 -4.473 15.942 0.384 1.00 0.00 C ATOM 120 OG SER A 12 -3.864 17.113 -0.132 1.00 0.00 O ATOM 0 H SER A 12 -2.098 15.712 1.179 1.00 0.00 H new ATOM 0 HA SER A 12 -4.159 13.816 0.415 1.00 0.00 H new ATOM 0 HB2 SER A 12 -5.453 15.806 -0.074 1.00 0.00 H new ATOM 0 HB3 SER A 12 -4.636 16.055 1.456 1.00 0.00 H new ATOM 0 HG SER A 12 -4.439 17.886 0.047 1.00 0.00 H new ATOM 126 N ARG A 13 -2.077 15.047 -1.730 1.00 0.00 N ATOM 127 CA ARG A 13 -1.641 15.010 -3.121 1.00 0.00 C ATOM 128 C ARG A 13 -1.202 13.603 -3.515 1.00 0.00 C ATOM 129 O ARG A 13 -1.039 13.300 -4.698 1.00 0.00 O ATOM 130 CB ARG A 13 -0.493 15.996 -3.344 1.00 0.00 C ATOM 131 CG ARG A 13 -0.870 17.442 -3.069 1.00 0.00 C ATOM 132 CD ARG A 13 -1.604 18.060 -4.249 1.00 0.00 C ATOM 133 NE ARG A 13 -1.597 19.520 -4.194 1.00 0.00 N ATOM 134 CZ ARG A 13 -1.989 20.295 -5.199 1.00 0.00 C ATOM 135 NH1 ARG A 13 -2.418 19.753 -6.331 1.00 0.00 N ATOM 136 NH2 ARG A 13 -1.954 21.615 -5.073 1.00 0.00 N ATOM 0 H ARG A 13 -1.389 15.430 -1.082 1.00 0.00 H new ATOM 0 HA ARG A 13 -2.485 15.298 -3.748 1.00 0.00 H new ATOM 0 HB2 ARG A 13 0.343 15.719 -2.701 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -0.146 15.909 -4.374 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -1.499 17.492 -2.181 1.00 0.00 H new ATOM 0 HG3 ARG A 13 0.029 18.019 -2.856 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -1.139 17.730 -5.178 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -2.634 17.703 -4.263 1.00 0.00 H new ATOM 0 HE ARG A 13 -1.273 19.969 -3.337 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -2.448 18.738 -6.432 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -2.718 20.351 -7.101 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -1.626 22.036 -4.204 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -2.255 22.209 -5.845 1.00 0.00 H new ATOM 150 N VAL A 14 -1.011 12.746 -2.517 1.00 0.00 N ATOM 151 CA VAL A 14 -0.591 11.371 -2.759 1.00 0.00 C ATOM 152 C VAL A 14 -1.767 10.508 -3.204 1.00 0.00 C ATOM 153 O VAL A 14 -2.884 10.665 -2.714 1.00 0.00 O ATOM 154 CB VAL A 14 0.042 10.748 -1.501 1.00 0.00 C ATOM 155 CG1 VAL A 14 0.688 9.412 -1.834 1.00 0.00 C ATOM 156 CG2 VAL A 14 1.056 11.701 -0.887 1.00 0.00 C ATOM 0 H VAL A 14 -1.141 12.980 -1.533 1.00 0.00 H new ATOM 0 HA VAL A 14 0.154 11.402 -3.554 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.746 10.571 -0.769 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.130 8.987 -0.933 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.067 8.730 -2.224 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.465 9.560 -2.584 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.493 11.244 0.001 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.843 11.912 -1.612 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.560 12.631 -0.610 1.00 0.00 H new ATOM 166 N GLN A 15 -1.505 9.597 -4.135 1.00 0.00 N ATOM 167 CA GLN A 15 -2.542 8.708 -4.646 1.00 0.00 C ATOM 168 C GLN A 15 -2.080 7.255 -4.610 1.00 0.00 C ATOM 169 O GLN A 15 -0.898 6.965 -4.790 1.00 0.00 O ATOM 170 CB GLN A 15 -2.920 9.100 -6.076 1.00 0.00 C ATOM 171 CG GLN A 15 -3.363 7.925 -6.932 1.00 0.00 C ATOM 172 CD GLN A 15 -4.381 8.320 -7.984 1.00 0.00 C ATOM 173 OE1 GLN A 15 -5.443 8.856 -7.666 1.00 0.00 O ATOM 174 NE2 GLN A 15 -4.062 8.057 -9.245 1.00 0.00 N ATOM 0 H GLN A 15 -0.584 9.455 -4.551 1.00 0.00 H new ATOM 0 HA GLN A 15 -3.418 8.807 -4.006 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -3.723 9.837 -6.042 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -2.065 9.582 -6.550 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -2.492 7.488 -7.421 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -3.790 7.154 -6.291 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -3.171 7.611 -9.463 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -4.708 8.300 -9.996 1.00 0.00 H new ATOM 183 N ALA A 16 -3.021 6.346 -4.377 1.00 0.00 N ATOM 184 CA ALA A 16 -2.711 4.923 -4.319 1.00 0.00 C ATOM 185 C ALA A 16 -3.716 4.108 -5.126 1.00 0.00 C ATOM 186 O ALA A 16 -4.911 4.116 -4.834 1.00 0.00 O ATOM 187 CB ALA A 16 -2.683 4.447 -2.874 1.00 0.00 C ATOM 0 H ALA A 16 -4.004 6.570 -4.225 1.00 0.00 H new ATOM 0 HA ALA A 16 -1.725 4.774 -4.759 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.450 3.382 -2.846 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -1.921 4.999 -2.324 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.657 4.618 -2.416 1.00 0.00 H new ATOM 193 N GLN A 17 -3.223 3.408 -6.143 1.00 0.00 N ATOM 194 CA GLN A 17 -4.079 2.590 -6.993 1.00 0.00 C ATOM 195 C GLN A 17 -3.354 1.325 -7.440 1.00 0.00 C ATOM 196 O GLN A 17 -2.177 1.366 -7.797 1.00 0.00 O ATOM 197 CB GLN A 17 -4.535 3.390 -8.214 1.00 0.00 C ATOM 198 CG GLN A 17 -3.433 3.622 -9.235 1.00 0.00 C ATOM 199 CD GLN A 17 -3.964 4.133 -10.560 1.00 0.00 C ATOM 200 OE1 GLN A 17 -4.938 3.605 -11.097 1.00 0.00 O ATOM 201 NE2 GLN A 17 -3.324 5.167 -11.095 1.00 0.00 N ATOM 0 H GLN A 17 -2.236 3.391 -6.398 1.00 0.00 H new ATOM 0 HA GLN A 17 -4.954 2.298 -6.411 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -5.360 2.864 -8.695 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -4.921 4.354 -7.883 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -2.716 4.339 -8.834 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -2.893 2.690 -9.399 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -2.521 5.574 -10.615 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -3.636 5.554 -11.986 1.00 0.00 H new ATOM 210 N GLY A 18 -4.065 0.201 -7.419 1.00 0.00 N ATOM 211 CA GLY A 18 -3.472 -1.059 -7.824 1.00 0.00 C ATOM 212 C GLY A 18 -4.154 -2.253 -7.186 1.00 0.00 C ATOM 213 O GLY A 18 -5.151 -2.119 -6.476 1.00 0.00 O ATOM 0 H GLY A 18 -5.041 0.142 -7.129 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.526 -1.150 -8.909 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -2.415 -1.062 -7.556 1.00 0.00 H new ATOM 217 N PRO A 19 -3.614 -3.454 -7.440 1.00 0.00 N ATOM 218 CA PRO A 19 -4.162 -4.700 -6.896 1.00 0.00 C ATOM 219 C PRO A 19 -3.953 -4.816 -5.390 1.00 0.00 C ATOM 220 O PRO A 19 -4.859 -5.209 -4.656 1.00 0.00 O ATOM 221 CB PRO A 19 -3.373 -5.786 -7.630 1.00 0.00 C ATOM 222 CG PRO A 19 -2.091 -5.130 -8.011 1.00 0.00 C ATOM 223 CD PRO A 19 -2.426 -3.689 -8.279 1.00 0.00 C ATOM 0 HA PRO A 19 -5.240 -4.767 -7.040 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.200 -6.651 -6.990 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -3.912 -6.142 -8.508 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.355 -5.217 -7.211 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.659 -5.601 -8.894 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -1.604 -3.028 -8.006 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.638 -3.515 -9.334 1.00 0.00 H new ATOM 231 N GLY A 20 -2.753 -4.470 -4.935 1.00 0.00 N ATOM 232 CA GLY A 20 -2.447 -4.542 -3.518 1.00 0.00 C ATOM 233 C GLY A 20 -3.438 -3.768 -2.671 1.00 0.00 C ATOM 234 O GLY A 20 -3.493 -3.942 -1.453 1.00 0.00 O ATOM 0 H GLY A 20 -1.987 -4.141 -5.522 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.442 -5.586 -3.203 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -1.444 -4.152 -3.346 1.00 0.00 H new ATOM 238 N LEU A 21 -4.222 -2.912 -3.316 1.00 0.00 N ATOM 239 CA LEU A 21 -5.216 -2.107 -2.613 1.00 0.00 C ATOM 240 C LEU A 21 -6.625 -2.628 -2.878 1.00 0.00 C ATOM 241 O LEU A 21 -7.544 -2.392 -2.093 1.00 0.00 O ATOM 242 CB LEU A 21 -5.113 -0.643 -3.044 1.00 0.00 C ATOM 243 CG LEU A 21 -3.731 -0.001 -2.913 1.00 0.00 C ATOM 244 CD1 LEU A 21 -3.694 1.338 -3.635 1.00 0.00 C ATOM 245 CD2 LEU A 21 -3.360 0.171 -1.447 1.00 0.00 C ATOM 0 H LEU A 21 -4.189 -2.757 -4.324 1.00 0.00 H new ATOM 0 HA LEU A 21 -5.016 -2.180 -1.544 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.429 -0.568 -4.084 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.820 -0.060 -2.453 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.999 -0.661 -3.377 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.703 1.780 -3.531 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.915 1.188 -4.692 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.437 2.007 -3.200 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.374 0.629 -1.373 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.095 0.811 -0.958 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.345 -0.803 -0.959 1.00 0.00 H new ATOM 257 N LYS A 22 -6.788 -3.340 -3.988 1.00 0.00 N ATOM 258 CA LYS A 22 -8.083 -3.899 -4.355 1.00 0.00 C ATOM 259 C LYS A 22 -8.242 -5.313 -3.805 1.00 0.00 C ATOM 260 O LYS A 22 -9.156 -5.587 -3.028 1.00 0.00 O ATOM 261 CB LYS A 22 -8.243 -3.912 -5.877 1.00 0.00 C ATOM 262 CG LYS A 22 -8.833 -2.630 -6.438 1.00 0.00 C ATOM 263 CD LYS A 22 -7.904 -1.447 -6.220 1.00 0.00 C ATOM 264 CE LYS A 22 -8.667 -0.132 -6.217 1.00 0.00 C ATOM 265 NZ LYS A 22 -7.779 1.026 -6.515 1.00 0.00 N ATOM 0 H LYS A 22 -6.039 -3.543 -4.649 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.859 -3.269 -3.919 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.269 -4.084 -6.335 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -8.881 -4.750 -6.160 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -9.024 -2.752 -7.504 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -9.794 -2.432 -5.963 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -7.378 -1.566 -5.273 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -7.147 -1.428 -7.004 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -9.468 -0.175 -6.956 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -9.138 0.012 -5.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -8.337 1.903 -6.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -7.030 1.083 -5.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -7.349 0.901 -7.454 1.00 0.00 H new ATOM 279 N GLU A 23 -7.345 -6.206 -4.212 1.00 0.00 N ATOM 280 CA GLU A 23 -7.387 -7.591 -3.758 1.00 0.00 C ATOM 281 C GLU A 23 -5.979 -8.169 -3.643 1.00 0.00 C ATOM 282 O GLU A 23 -5.081 -7.798 -4.399 1.00 0.00 O ATOM 283 CB GLU A 23 -8.222 -8.441 -4.719 1.00 0.00 C ATOM 284 CG GLU A 23 -7.817 -9.905 -4.745 1.00 0.00 C ATOM 285 CD GLU A 23 -8.810 -10.772 -5.494 1.00 0.00 C ATOM 286 OE1 GLU A 23 -9.010 -10.535 -6.704 1.00 0.00 O ATOM 287 OE2 GLU A 23 -9.387 -11.687 -4.871 1.00 0.00 O ATOM 0 H GLU A 23 -6.581 -5.995 -4.854 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.850 -7.609 -2.772 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -9.272 -8.368 -4.436 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -8.133 -8.030 -5.725 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -6.836 -9.998 -5.210 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -7.721 -10.270 -3.722 1.00 0.00 H new ATOM 294 N ALA A 24 -5.795 -9.078 -2.692 1.00 0.00 N ATOM 295 CA ALA A 24 -4.498 -9.708 -2.478 1.00 0.00 C ATOM 296 C ALA A 24 -4.648 -11.207 -2.241 1.00 0.00 C ATOM 297 O ALA A 24 -5.748 -11.752 -2.330 1.00 0.00 O ATOM 298 CB ALA A 24 -3.780 -9.055 -1.306 1.00 0.00 C ATOM 0 H ALA A 24 -6.528 -9.395 -2.057 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.901 -9.567 -3.379 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.813 -9.536 -1.158 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.630 -7.996 -1.515 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.382 -9.165 -0.404 1.00 0.00 H new ATOM 304 N PHE A 25 -3.535 -11.867 -1.939 1.00 0.00 N ATOM 305 CA PHE A 25 -3.543 -13.304 -1.691 1.00 0.00 C ATOM 306 C PHE A 25 -2.448 -13.691 -0.700 1.00 0.00 C ATOM 307 O PHE A 25 -1.511 -12.928 -0.463 1.00 0.00 O ATOM 308 CB PHE A 25 -3.354 -14.071 -3.002 1.00 0.00 C ATOM 309 CG PHE A 25 -4.615 -14.201 -3.807 1.00 0.00 C ATOM 310 CD1 PHE A 25 -5.048 -13.161 -4.614 1.00 0.00 C ATOM 311 CD2 PHE A 25 -5.367 -15.364 -3.758 1.00 0.00 C ATOM 312 CE1 PHE A 25 -6.209 -13.278 -5.355 1.00 0.00 C ATOM 313 CE2 PHE A 25 -6.528 -15.487 -4.497 1.00 0.00 C ATOM 314 CZ PHE A 25 -6.949 -14.443 -5.298 1.00 0.00 C ATOM 0 H PHE A 25 -2.617 -11.430 -1.860 1.00 0.00 H new ATOM 0 HA PHE A 25 -4.509 -13.567 -1.260 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -2.599 -13.566 -3.604 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -2.970 -15.067 -2.779 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -4.472 -12.249 -4.665 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -5.042 -16.184 -3.135 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -6.537 -12.459 -5.978 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -7.106 -16.398 -4.449 1.00 0.00 H new ATOM 0 HZ PHE A 25 -7.855 -14.538 -5.878 1.00 0.00 H new ATOM 324 N THR A 26 -2.575 -14.882 -0.123 1.00 0.00 N ATOM 325 CA THR A 26 -1.599 -15.371 0.843 1.00 0.00 C ATOM 326 C THR A 26 -0.330 -15.851 0.148 1.00 0.00 C ATOM 327 O THR A 26 -0.389 -16.628 -0.804 1.00 0.00 O ATOM 328 CB THR A 26 -2.174 -16.522 1.689 1.00 0.00 C ATOM 329 OG1 THR A 26 -2.636 -17.574 0.835 1.00 0.00 O ATOM 330 CG2 THR A 26 -3.319 -16.032 2.563 1.00 0.00 C ATOM 0 H THR A 26 -3.344 -15.526 -0.308 1.00 0.00 H new ATOM 0 HA THR A 26 -1.357 -14.534 1.498 1.00 0.00 H new ATOM 0 HB THR A 26 -1.381 -16.900 2.335 1.00 0.00 H new ATOM 0 HG1 THR A 26 -2.170 -17.525 -0.026 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.709 -16.863 3.151 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.957 -15.251 3.232 1.00 0.00 H new ATOM 0 HG23 THR A 26 -4.112 -15.630 1.932 1.00 0.00 H new ATOM 338 N ASN A 27 0.817 -15.383 0.631 1.00 0.00 N ATOM 339 CA ASN A 27 2.101 -15.766 0.055 1.00 0.00 C ATOM 340 C ASN A 27 2.174 -15.377 -1.418 1.00 0.00 C ATOM 341 O ASN A 27 2.820 -16.053 -2.219 1.00 0.00 O ATOM 342 CB ASN A 27 2.324 -17.272 0.209 1.00 0.00 C ATOM 343 CG ASN A 27 2.417 -17.697 1.661 1.00 0.00 C ATOM 344 OD1 ASN A 27 3.428 -18.249 2.095 1.00 0.00 O ATOM 345 ND2 ASN A 27 1.358 -17.442 2.421 1.00 0.00 N ATOM 0 H ASN A 27 0.883 -14.739 1.419 1.00 0.00 H new ATOM 0 HA ASN A 27 2.886 -15.233 0.592 1.00 0.00 H new ATOM 0 HB2 ASN A 27 1.506 -17.809 -0.272 1.00 0.00 H new ATOM 0 HB3 ASN A 27 3.240 -17.556 -0.309 1.00 0.00 H new ATOM 0 HD21 ASN A 27 1.362 -17.706 3.406 1.00 0.00 H new ATOM 0 HD22 ASN A 27 0.541 -16.982 2.019 1.00 0.00 H new ATOM 352 N LYS A 28 1.507 -14.283 -1.769 1.00 0.00 N ATOM 353 CA LYS A 28 1.497 -13.802 -3.146 1.00 0.00 C ATOM 354 C LYS A 28 1.995 -12.362 -3.222 1.00 0.00 C ATOM 355 O LYS A 28 1.736 -11.542 -2.341 1.00 0.00 O ATOM 356 CB LYS A 28 0.086 -13.896 -3.730 1.00 0.00 C ATOM 357 CG LYS A 28 -0.297 -15.298 -4.172 1.00 0.00 C ATOM 358 CD LYS A 28 -1.311 -15.269 -5.303 1.00 0.00 C ATOM 359 CE LYS A 28 -1.256 -16.541 -6.134 1.00 0.00 C ATOM 360 NZ LYS A 28 -0.117 -16.528 -7.094 1.00 0.00 N ATOM 0 H LYS A 28 0.966 -13.712 -1.119 1.00 0.00 H new ATOM 0 HA LYS A 28 2.168 -14.432 -3.730 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.630 -13.551 -2.985 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.009 -13.221 -4.583 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.595 -15.835 -4.495 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.710 -15.847 -3.326 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.313 -15.145 -4.892 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.120 -14.407 -5.942 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.164 -17.403 -5.473 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.191 -16.658 -6.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.114 -17.412 -7.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.218 -15.720 -7.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.777 -16.442 -6.570 1.00 0.00 H new ATOM 374 N PRO A 29 2.726 -12.044 -4.301 1.00 0.00 N ATOM 375 CA PRO A 29 3.274 -10.702 -4.519 1.00 0.00 C ATOM 376 C PRO A 29 2.189 -9.677 -4.831 1.00 0.00 C ATOM 377 O PRO A 29 1.569 -9.719 -5.893 1.00 0.00 O ATOM 378 CB PRO A 29 4.197 -10.887 -5.726 1.00 0.00 C ATOM 379 CG PRO A 29 3.643 -12.066 -6.449 1.00 0.00 C ATOM 380 CD PRO A 29 3.074 -12.971 -5.391 1.00 0.00 C ATOM 0 HA PRO A 29 3.780 -10.320 -3.633 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.202 -10.000 -6.360 1.00 0.00 H new ATOM 0 HB3 PRO A 29 5.227 -11.062 -5.414 1.00 0.00 H new ATOM 0 HG2 PRO A 29 2.873 -11.762 -7.158 1.00 0.00 H new ATOM 0 HG3 PRO A 29 4.420 -12.574 -7.020 1.00 0.00 H new ATOM 0 HD2 PRO A 29 2.200 -13.512 -5.753 1.00 0.00 H new ATOM 0 HD3 PRO A 29 3.800 -13.717 -5.068 1.00 0.00 H new ATOM 388 N ASN A 30 1.965 -8.757 -3.898 1.00 0.00 N ATOM 389 CA ASN A 30 0.954 -7.720 -4.074 1.00 0.00 C ATOM 390 C ASN A 30 1.591 -6.334 -4.079 1.00 0.00 C ATOM 391 O ASN A 30 2.144 -5.890 -3.073 1.00 0.00 O ATOM 392 CB ASN A 30 -0.095 -7.808 -2.964 1.00 0.00 C ATOM 393 CG ASN A 30 -0.316 -9.231 -2.488 1.00 0.00 C ATOM 394 OD1 ASN A 30 -1.008 -10.015 -3.138 1.00 0.00 O ATOM 395 ND2 ASN A 30 0.274 -9.571 -1.347 1.00 0.00 N ATOM 0 H ASN A 30 2.470 -8.708 -3.013 1.00 0.00 H new ATOM 0 HA ASN A 30 0.469 -7.880 -5.037 1.00 0.00 H new ATOM 0 HB2 ASN A 30 0.218 -7.191 -2.122 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -1.038 -7.398 -3.326 1.00 0.00 H new ATOM 0 HD21 ASN A 30 0.162 -10.515 -0.977 1.00 0.00 H new ATOM 0 HD22 ASN A 30 0.839 -8.888 -0.842 1.00 0.00 H new ATOM 402 N VAL A 31 1.508 -5.655 -5.218 1.00 0.00 N ATOM 403 CA VAL A 31 2.075 -4.318 -5.354 1.00 0.00 C ATOM 404 C VAL A 31 1.013 -3.312 -5.785 1.00 0.00 C ATOM 405 O VAL A 31 -0.096 -3.688 -6.164 1.00 0.00 O ATOM 406 CB VAL A 31 3.228 -4.299 -6.375 1.00 0.00 C ATOM 407 CG1 VAL A 31 4.248 -5.380 -6.049 1.00 0.00 C ATOM 408 CG2 VAL A 31 2.691 -4.469 -7.788 1.00 0.00 C ATOM 0 H VAL A 31 1.054 -6.008 -6.060 1.00 0.00 H new ATOM 0 HA VAL A 31 2.462 -4.037 -4.374 1.00 0.00 H new ATOM 0 HB VAL A 31 3.728 -3.332 -6.315 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.055 -5.351 -6.781 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.655 -5.207 -5.053 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.765 -6.357 -6.079 1.00 0.00 H new ATOM 0 HG21 VAL A 31 3.519 -4.453 -8.496 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.165 -5.421 -7.865 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.003 -3.655 -8.016 1.00 0.00 H new ATOM 418 N PHE A 32 1.360 -2.031 -5.724 1.00 0.00 N ATOM 419 CA PHE A 32 0.437 -0.969 -6.107 1.00 0.00 C ATOM 420 C PHE A 32 1.195 0.291 -6.513 1.00 0.00 C ATOM 421 O PHE A 32 2.360 0.471 -6.156 1.00 0.00 O ATOM 422 CB PHE A 32 -0.518 -0.654 -4.954 1.00 0.00 C ATOM 423 CG PHE A 32 0.173 -0.499 -3.629 1.00 0.00 C ATOM 424 CD1 PHE A 32 0.493 -1.609 -2.865 1.00 0.00 C ATOM 425 CD2 PHE A 32 0.503 0.758 -3.148 1.00 0.00 C ATOM 426 CE1 PHE A 32 1.128 -1.469 -1.646 1.00 0.00 C ATOM 427 CE2 PHE A 32 1.138 0.905 -1.930 1.00 0.00 C ATOM 428 CZ PHE A 32 1.452 -0.210 -1.178 1.00 0.00 C ATOM 0 H PHE A 32 2.274 -1.703 -5.413 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.141 -1.316 -6.964 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -1.060 0.264 -5.182 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -1.258 -1.450 -4.878 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.243 -2.596 -3.226 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.261 1.633 -3.732 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.371 -2.343 -1.060 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.389 1.891 -1.566 1.00 0.00 H new ATOM 0 HZ PHE A 32 1.950 -0.098 -0.226 1.00 0.00 H new ATOM 438 N THR A 33 0.526 1.161 -7.264 1.00 0.00 N ATOM 439 CA THR A 33 1.136 2.403 -7.721 1.00 0.00 C ATOM 440 C THR A 33 0.836 3.549 -6.761 1.00 0.00 C ATOM 441 O THR A 33 -0.325 3.857 -6.490 1.00 0.00 O ATOM 442 CB THR A 33 0.643 2.786 -9.129 1.00 0.00 C ATOM 443 OG1 THR A 33 0.726 1.654 -10.002 1.00 0.00 O ATOM 444 CG2 THR A 33 1.465 3.932 -9.697 1.00 0.00 C ATOM 0 H THR A 33 -0.438 1.028 -7.568 1.00 0.00 H new ATOM 0 HA THR A 33 2.212 2.233 -7.754 1.00 0.00 H new ATOM 0 HB THR A 33 -0.395 3.109 -9.051 1.00 0.00 H new ATOM 0 HG1 THR A 33 0.409 1.905 -10.895 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.098 4.185 -10.692 1.00 0.00 H new ATOM 0 HG22 THR A 33 1.376 4.801 -9.046 1.00 0.00 H new ATOM 0 HG23 THR A 33 2.511 3.633 -9.761 1.00 0.00 H new ATOM 452 N VAL A 34 1.889 4.177 -6.250 1.00 0.00 N ATOM 453 CA VAL A 34 1.739 5.291 -5.321 1.00 0.00 C ATOM 454 C VAL A 34 2.307 6.578 -5.908 1.00 0.00 C ATOM 455 O VAL A 34 3.471 6.913 -5.687 1.00 0.00 O ATOM 456 CB VAL A 34 2.436 5.000 -3.978 1.00 0.00 C ATOM 457 CG1 VAL A 34 2.182 6.128 -2.990 1.00 0.00 C ATOM 458 CG2 VAL A 34 1.968 3.668 -3.412 1.00 0.00 C ATOM 0 H VAL A 34 2.856 3.934 -6.463 1.00 0.00 H new ATOM 0 HA VAL A 34 0.670 5.416 -5.148 1.00 0.00 H new ATOM 0 HB VAL A 34 3.510 4.936 -4.152 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.682 5.905 -2.047 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.572 7.062 -3.396 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.110 6.227 -2.818 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.471 3.479 -2.463 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.890 3.699 -3.252 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.207 2.870 -4.115 1.00 0.00 H new ATOM 468 N VAL A 35 1.477 7.296 -6.658 1.00 0.00 N ATOM 469 CA VAL A 35 1.896 8.548 -7.277 1.00 0.00 C ATOM 470 C VAL A 35 2.190 9.611 -6.224 1.00 0.00 C ATOM 471 O VAL A 35 1.298 10.037 -5.489 1.00 0.00 O ATOM 472 CB VAL A 35 0.823 9.083 -8.244 1.00 0.00 C ATOM 473 CG1 VAL A 35 1.182 10.483 -8.719 1.00 0.00 C ATOM 474 CG2 VAL A 35 0.652 8.138 -9.424 1.00 0.00 C ATOM 0 H VAL A 35 0.511 7.032 -6.852 1.00 0.00 H new ATOM 0 HA VAL A 35 2.806 8.334 -7.838 1.00 0.00 H new ATOM 0 HB VAL A 35 -0.126 9.139 -7.711 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.412 10.844 -9.401 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.250 11.152 -7.861 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.142 10.457 -9.235 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.110 8.531 -10.097 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.598 8.049 -9.959 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.345 7.156 -9.063 1.00 0.00 H new ATOM 484 N THR A 36 3.448 10.036 -6.155 1.00 0.00 N ATOM 485 CA THR A 36 3.861 11.049 -5.192 1.00 0.00 C ATOM 486 C THR A 36 4.521 12.233 -5.888 1.00 0.00 C ATOM 487 O THR A 36 5.479 12.812 -5.374 1.00 0.00 O ATOM 488 CB THR A 36 4.837 10.469 -4.151 1.00 0.00 C ATOM 489 OG1 THR A 36 6.074 10.118 -4.782 1.00 0.00 O ATOM 490 CG2 THR A 36 4.242 9.244 -3.474 1.00 0.00 C ATOM 0 H THR A 36 4.199 9.694 -6.755 1.00 0.00 H new ATOM 0 HA THR A 36 2.959 11.388 -4.683 1.00 0.00 H new ATOM 0 HB THR A 36 5.019 11.230 -3.393 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.690 9.752 -4.113 1.00 0.00 H new ATOM 0 HG21 THR A 36 4.950 8.852 -2.743 1.00 0.00 H new ATOM 0 HG22 THR A 36 3.316 9.521 -2.970 1.00 0.00 H new ATOM 0 HG23 THR A 36 4.033 8.480 -4.223 1.00 0.00 H new ATOM 579 N LEU A 44 8.301 8.955 3.248 1.00 0.00 N ATOM 580 CA LEU A 44 7.116 8.135 3.024 1.00 0.00 C ATOM 581 C LEU A 44 7.227 6.804 3.762 1.00 0.00 C ATOM 582 O LEU A 44 8.281 6.169 3.762 1.00 0.00 O ATOM 583 CB LEU A 44 6.918 7.887 1.528 1.00 0.00 C ATOM 584 CG LEU A 44 6.006 6.717 1.156 1.00 0.00 C ATOM 585 CD1 LEU A 44 4.546 7.095 1.350 1.00 0.00 C ATOM 586 CD2 LEU A 44 6.259 6.278 -0.279 1.00 0.00 C ATOM 0 HA LEU A 44 6.253 8.674 3.414 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.512 8.794 1.080 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.895 7.718 1.076 1.00 0.00 H new ATOM 0 HG LEU A 44 6.234 5.880 1.816 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.912 6.250 1.080 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.374 7.359 2.393 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.303 7.947 0.715 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.601 5.445 -0.526 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.060 7.110 -0.954 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.297 5.964 -0.386 1.00 0.00 H new ATOM 598 N GLY A 45 6.130 6.386 4.387 1.00 0.00 N ATOM 599 CA GLY A 45 6.125 5.133 5.118 1.00 0.00 C ATOM 600 C GLY A 45 4.926 4.269 4.779 1.00 0.00 C ATOM 601 O GLY A 45 3.782 4.703 4.918 1.00 0.00 O ATOM 0 H GLY A 45 5.245 6.893 4.400 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.040 4.583 4.896 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.129 5.340 6.188 1.00 0.00 H new ATOM 605 N ILE A 46 5.188 3.045 4.333 1.00 0.00 N ATOM 606 CA ILE A 46 4.121 2.120 3.974 1.00 0.00 C ATOM 607 C ILE A 46 4.203 0.839 4.797 1.00 0.00 C ATOM 608 O ILE A 46 5.184 0.098 4.718 1.00 0.00 O ATOM 609 CB ILE A 46 4.169 1.759 2.477 1.00 0.00 C ATOM 610 CG1 ILE A 46 4.158 3.029 1.624 1.00 0.00 C ATOM 611 CG2 ILE A 46 2.998 0.859 2.111 1.00 0.00 C ATOM 612 CD1 ILE A 46 4.436 2.775 0.159 1.00 0.00 C ATOM 0 H ILE A 46 6.129 2.671 4.212 1.00 0.00 H new ATOM 0 HA ILE A 46 3.180 2.626 4.188 1.00 0.00 H new ATOM 0 HB ILE A 46 5.094 1.218 2.278 1.00 0.00 H new ATOM 0 HG12 ILE A 46 3.187 3.515 1.722 1.00 0.00 H new ATOM 0 HG13 ILE A 46 4.903 3.724 2.012 1.00 0.00 H new ATOM 0 HG21 ILE A 46 3.046 0.613 1.050 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.046 -0.058 2.699 1.00 0.00 H new ATOM 0 HG23 ILE A 46 2.062 1.376 2.321 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.413 3.719 -0.385 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.419 2.317 0.049 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.677 2.105 -0.245 1.00 0.00 H new ATOM 624 N THR A 47 3.165 0.581 5.586 1.00 0.00 N ATOM 625 CA THR A 47 3.120 -0.611 6.424 1.00 0.00 C ATOM 626 C THR A 47 1.833 -1.396 6.193 1.00 0.00 C ATOM 627 O THR A 47 0.830 -0.844 5.741 1.00 0.00 O ATOM 628 CB THR A 47 3.228 -0.253 7.918 1.00 0.00 C ATOM 629 OG1 THR A 47 2.356 0.841 8.224 1.00 0.00 O ATOM 630 CG2 THR A 47 4.658 0.115 8.284 1.00 0.00 C ATOM 0 H THR A 47 2.344 1.182 5.662 1.00 0.00 H new ATOM 0 HA THR A 47 3.975 -1.227 6.144 1.00 0.00 H new ATOM 0 HB THR A 47 2.933 -1.126 8.500 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.429 1.061 9.176 1.00 0.00 H new ATOM 0 HG21 THR A 47 4.710 0.364 9.344 1.00 0.00 H new ATOM 0 HG22 THR A 47 5.315 -0.730 8.077 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.975 0.975 7.693 1.00 0.00 H new ATOM 638 N VAL A 48 1.869 -2.687 6.508 1.00 0.00 N ATOM 639 CA VAL A 48 0.705 -3.548 6.337 1.00 0.00 C ATOM 640 C VAL A 48 0.346 -4.253 7.640 1.00 0.00 C ATOM 641 O VAL A 48 1.191 -4.897 8.261 1.00 0.00 O ATOM 642 CB VAL A 48 0.944 -4.605 5.243 1.00 0.00 C ATOM 643 CG1 VAL A 48 -0.146 -5.666 5.276 1.00 0.00 C ATOM 644 CG2 VAL A 48 1.018 -3.947 3.873 1.00 0.00 C ATOM 0 H VAL A 48 2.692 -3.159 6.883 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.122 -2.905 6.036 1.00 0.00 H new ATOM 0 HB VAL A 48 1.898 -5.094 5.438 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.041 -6.404 4.496 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.145 -6.158 6.248 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.115 -5.197 5.108 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.187 -4.709 3.112 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.081 -3.430 3.667 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.839 -3.230 3.858 1.00 0.00 H new ATOM 654 N GLU A 49 -0.913 -4.127 8.047 1.00 0.00 N ATOM 655 CA GLU A 49 -1.383 -4.753 9.278 1.00 0.00 C ATOM 656 C GLU A 49 -2.385 -5.864 8.975 1.00 0.00 C ATOM 657 O GLU A 49 -3.273 -5.703 8.139 1.00 0.00 O ATOM 658 CB GLU A 49 -2.024 -3.709 10.194 1.00 0.00 C ATOM 659 CG GLU A 49 -1.028 -2.726 10.787 1.00 0.00 C ATOM 660 CD GLU A 49 -1.579 -1.996 11.997 1.00 0.00 C ATOM 661 OE1 GLU A 49 -2.008 -2.674 12.954 1.00 0.00 O ATOM 662 OE2 GLU A 49 -1.582 -0.747 11.986 1.00 0.00 O ATOM 0 H GLU A 49 -1.625 -3.598 7.543 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.523 -5.191 9.784 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.776 -3.156 9.631 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.544 -4.219 11.004 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.121 -3.260 11.071 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.744 -1.999 10.026 1.00 0.00 H new ATOM 669 N GLY A 50 -2.234 -6.992 9.662 1.00 0.00 N ATOM 670 CA GLY A 50 -3.131 -8.114 9.453 1.00 0.00 C ATOM 671 C GLY A 50 -2.928 -9.217 10.473 1.00 0.00 C ATOM 672 O GLY A 50 -2.227 -9.047 11.471 1.00 0.00 O ATOM 0 H GLY A 50 -1.507 -7.149 10.360 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -4.162 -7.764 9.501 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.977 -8.517 8.452 1.00 0.00 H new ATOM 676 N PRO A 51 -3.553 -10.378 10.226 1.00 0.00 N ATOM 677 CA PRO A 51 -3.453 -11.535 11.120 1.00 0.00 C ATOM 678 C PRO A 51 -2.065 -12.165 11.100 1.00 0.00 C ATOM 679 O PRO A 51 -1.792 -13.112 11.838 1.00 0.00 O ATOM 680 CB PRO A 51 -4.491 -12.509 10.556 1.00 0.00 C ATOM 681 CG PRO A 51 -4.618 -12.137 9.119 1.00 0.00 C ATOM 682 CD PRO A 51 -4.404 -10.650 9.056 1.00 0.00 C ATOM 0 HA PRO A 51 -3.626 -11.262 12.161 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -4.166 -13.543 10.670 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -5.445 -12.415 11.075 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -3.881 -12.663 8.513 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -5.600 -12.407 8.731 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -3.917 -10.353 8.127 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -5.347 -10.106 9.110 1.00 0.00 H new ATOM 690 N SER A 52 -1.191 -11.634 10.251 1.00 0.00 N ATOM 691 CA SER A 52 0.169 -12.147 10.133 1.00 0.00 C ATOM 692 C SER A 52 1.092 -11.101 9.515 1.00 0.00 C ATOM 693 O SER A 52 0.672 -10.307 8.674 1.00 0.00 O ATOM 694 CB SER A 52 0.184 -13.421 9.287 1.00 0.00 C ATOM 695 OG SER A 52 -0.169 -13.145 7.942 1.00 0.00 O ATOM 0 H SER A 52 -1.400 -10.849 9.635 1.00 0.00 H new ATOM 0 HA SER A 52 0.532 -12.380 11.134 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.176 -13.872 9.321 1.00 0.00 H new ATOM 0 HB3 SER A 52 -0.511 -14.148 9.707 1.00 0.00 H new ATOM 0 HG SER A 52 -0.907 -12.501 7.923 1.00 0.00 H new ATOM 701 N GLU A 53 2.352 -11.109 9.939 1.00 0.00 N ATOM 702 CA GLU A 53 3.335 -10.160 9.428 1.00 0.00 C ATOM 703 C GLU A 53 3.591 -10.391 7.942 1.00 0.00 C ATOM 704 O GLU A 53 3.831 -11.518 7.510 1.00 0.00 O ATOM 705 CB GLU A 53 4.646 -10.281 10.208 1.00 0.00 C ATOM 706 CG GLU A 53 5.748 -9.372 9.690 1.00 0.00 C ATOM 707 CD GLU A 53 5.453 -7.904 9.927 1.00 0.00 C ATOM 708 OE1 GLU A 53 5.066 -7.551 11.061 1.00 0.00 O ATOM 709 OE2 GLU A 53 5.608 -7.107 8.978 1.00 0.00 O ATOM 0 H GLU A 53 2.716 -11.761 10.634 1.00 0.00 H new ATOM 0 HA GLU A 53 2.935 -9.155 9.558 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.458 -10.049 11.256 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.990 -11.315 10.167 1.00 0.00 H new ATOM 0 HG2 GLU A 53 6.688 -9.633 10.177 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.883 -9.544 8.622 1.00 0.00 H new ATOM 716 N SER A 54 3.539 -9.314 7.164 1.00 0.00 N ATOM 717 CA SER A 54 3.761 -9.398 5.726 1.00 0.00 C ATOM 718 C SER A 54 5.102 -8.778 5.346 1.00 0.00 C ATOM 719 O SER A 54 5.522 -7.774 5.923 1.00 0.00 O ATOM 720 CB SER A 54 2.630 -8.696 4.972 1.00 0.00 C ATOM 721 OG SER A 54 1.363 -9.164 5.401 1.00 0.00 O ATOM 0 H SER A 54 3.345 -8.373 7.506 1.00 0.00 H new ATOM 0 HA SER A 54 3.775 -10.452 5.447 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.696 -7.620 5.131 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.741 -8.868 3.901 1.00 0.00 H new ATOM 0 HG SER A 54 0.657 -8.699 4.905 1.00 0.00 H new ATOM 727 N LYS A 55 5.771 -9.382 4.370 1.00 0.00 N ATOM 728 CA LYS A 55 7.064 -8.891 3.910 1.00 0.00 C ATOM 729 C LYS A 55 6.892 -7.699 2.973 1.00 0.00 C ATOM 730 O LYS A 55 6.660 -7.868 1.775 1.00 0.00 O ATOM 731 CB LYS A 55 7.832 -10.006 3.197 1.00 0.00 C ATOM 732 CG LYS A 55 8.705 -10.833 4.126 1.00 0.00 C ATOM 733 CD LYS A 55 9.796 -11.564 3.361 1.00 0.00 C ATOM 734 CE LYS A 55 9.308 -12.907 2.841 1.00 0.00 C ATOM 735 NZ LYS A 55 9.512 -13.995 3.837 1.00 0.00 N ATOM 0 H LYS A 55 5.438 -10.214 3.882 1.00 0.00 H new ATOM 0 HA LYS A 55 7.632 -8.567 4.782 1.00 0.00 H new ATOM 0 HB2 LYS A 55 7.121 -10.664 2.698 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.457 -9.566 2.420 1.00 0.00 H new ATOM 0 HG2 LYS A 55 9.157 -10.184 4.876 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.088 -11.555 4.660 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.131 -10.949 2.526 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.658 -11.716 4.010 1.00 0.00 H new ATOM 0 HE2 LYS A 55 8.249 -12.837 2.592 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.837 -13.154 1.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 8.937 -14.820 3.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 10.516 -14.264 3.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.225 -13.661 4.779 1.00 0.00 H new ATOM 749 N ILE A 56 7.007 -6.496 3.526 1.00 0.00 N ATOM 750 CA ILE A 56 6.866 -5.278 2.738 1.00 0.00 C ATOM 751 C ILE A 56 8.207 -4.839 2.160 1.00 0.00 C ATOM 752 O ILE A 56 9.254 -5.031 2.778 1.00 0.00 O ATOM 753 CB ILE A 56 6.282 -4.128 3.580 1.00 0.00 C ATOM 754 CG1 ILE A 56 4.788 -4.352 3.821 1.00 0.00 C ATOM 755 CG2 ILE A 56 6.519 -2.793 2.890 1.00 0.00 C ATOM 756 CD1 ILE A 56 4.250 -3.603 5.020 1.00 0.00 C ATOM 0 H ILE A 56 7.197 -6.339 4.516 1.00 0.00 H new ATOM 0 HA ILE A 56 6.179 -5.507 1.923 1.00 0.00 H new ATOM 0 HB ILE A 56 6.788 -4.110 4.545 1.00 0.00 H new ATOM 0 HG12 ILE A 56 4.235 -4.045 2.933 1.00 0.00 H new ATOM 0 HG13 ILE A 56 4.606 -5.418 3.957 1.00 0.00 H new ATOM 0 HG21 ILE A 56 6.101 -1.990 3.497 1.00 0.00 H new ATOM 0 HG22 ILE A 56 7.590 -2.633 2.765 1.00 0.00 H new ATOM 0 HG23 ILE A 56 6.036 -2.798 1.913 1.00 0.00 H new ATOM 0 HD11 ILE A 56 3.185 -3.809 5.130 1.00 0.00 H new ATOM 0 HD12 ILE A 56 4.777 -3.927 5.918 1.00 0.00 H new ATOM 0 HD13 ILE A 56 4.400 -2.533 4.878 1.00 0.00 H new ATOM 768 N ASN A 57 8.168 -4.247 0.971 1.00 0.00 N ATOM 769 CA ASN A 57 9.380 -3.778 0.309 1.00 0.00 C ATOM 770 C ASN A 57 9.079 -2.593 -0.602 1.00 0.00 C ATOM 771 O ASN A 57 8.397 -2.735 -1.618 1.00 0.00 O ATOM 772 CB ASN A 57 10.013 -4.911 -0.501 1.00 0.00 C ATOM 773 CG ASN A 57 10.538 -6.029 0.380 1.00 0.00 C ATOM 774 OD1 ASN A 57 11.560 -5.879 1.049 1.00 0.00 O ATOM 775 ND2 ASN A 57 9.838 -7.158 0.382 1.00 0.00 N ATOM 0 H ASN A 57 7.310 -4.080 0.446 1.00 0.00 H new ATOM 0 HA ASN A 57 10.082 -3.453 1.077 1.00 0.00 H new ATOM 0 HB2 ASN A 57 9.275 -5.315 -1.194 1.00 0.00 H new ATOM 0 HB3 ASN A 57 10.830 -4.512 -1.102 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.142 -7.946 0.954 1.00 0.00 H new ATOM 0 HD22 ASN A 57 8.996 -7.237 -0.189 1.00 0.00 H new ATOM 782 N CYS A 58 9.592 -1.425 -0.233 1.00 0.00 N ATOM 783 CA CYS A 58 9.378 -0.213 -1.017 1.00 0.00 C ATOM 784 C CYS A 58 10.641 0.168 -1.783 1.00 0.00 C ATOM 785 O CYS A 58 11.754 0.022 -1.277 1.00 0.00 O ATOM 786 CB CYS A 58 8.951 0.939 -0.108 1.00 0.00 C ATOM 787 SG CYS A 58 7.878 2.154 -0.909 1.00 0.00 S ATOM 0 H CYS A 58 10.159 -1.291 0.604 1.00 0.00 H new ATOM 0 HA CYS A 58 8.584 -0.411 -1.737 1.00 0.00 H new ATOM 0 HB2 CYS A 58 8.434 0.530 0.760 1.00 0.00 H new ATOM 0 HB3 CYS A 58 9.843 1.446 0.262 1.00 0.00 H new ATOM 0 HG CYS A 58 7.607 1.763 -2.119 1.00 0.00 H new ATOM 895 N CYS A 66 6.166 5.864 -6.168 1.00 0.00 N ATOM 896 CA CYS A 66 6.885 4.941 -5.298 1.00 0.00 C ATOM 897 C CYS A 66 6.283 3.542 -5.374 1.00 0.00 C ATOM 898 O CYS A 66 5.073 3.367 -5.229 1.00 0.00 O ATOM 899 CB CYS A 66 6.858 5.444 -3.853 1.00 0.00 C ATOM 900 SG CYS A 66 8.012 6.795 -3.520 1.00 0.00 S ATOM 0 HA CYS A 66 7.919 4.890 -5.638 1.00 0.00 H new ATOM 0 HB2 CYS A 66 5.848 5.776 -3.614 1.00 0.00 H new ATOM 0 HB3 CYS A 66 7.086 4.613 -3.186 1.00 0.00 H new ATOM 0 HG CYS A 66 7.914 7.152 -2.274 1.00 0.00 H new ATOM 906 N SER A 67 7.136 2.548 -5.603 1.00 0.00 N ATOM 907 CA SER A 67 6.687 1.164 -5.704 1.00 0.00 C ATOM 908 C SER A 67 6.712 0.484 -4.338 1.00 0.00 C ATOM 909 O SER A 67 7.709 0.545 -3.620 1.00 0.00 O ATOM 910 CB SER A 67 7.568 0.391 -6.687 1.00 0.00 C ATOM 911 OG SER A 67 8.836 0.106 -6.121 1.00 0.00 O ATOM 0 H SER A 67 8.141 2.675 -5.722 1.00 0.00 H new ATOM 0 HA SER A 67 5.661 1.166 -6.071 1.00 0.00 H new ATOM 0 HB2 SER A 67 7.075 -0.539 -6.968 1.00 0.00 H new ATOM 0 HB3 SER A 67 7.696 0.973 -7.600 1.00 0.00 H new ATOM 0 HG SER A 67 9.379 -0.390 -6.769 1.00 0.00 H new ATOM 917 N ALA A 68 5.606 -0.163 -3.987 1.00 0.00 N ATOM 918 CA ALA A 68 5.499 -0.857 -2.709 1.00 0.00 C ATOM 919 C ALA A 68 4.912 -2.253 -2.889 1.00 0.00 C ATOM 920 O ALA A 68 3.801 -2.408 -3.394 1.00 0.00 O ATOM 921 CB ALA A 68 4.653 -0.047 -1.738 1.00 0.00 C ATOM 0 H ALA A 68 4.771 -0.221 -4.570 1.00 0.00 H new ATOM 0 HA ALA A 68 6.502 -0.965 -2.297 1.00 0.00 H new ATOM 0 HB1 ALA A 68 4.582 -0.577 -0.788 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.116 0.926 -1.577 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.654 0.091 -2.153 1.00 0.00 H new ATOM 927 N GLU A 69 5.667 -3.265 -2.474 1.00 0.00 N ATOM 928 CA GLU A 69 5.221 -4.648 -2.592 1.00 0.00 C ATOM 929 C GLU A 69 5.186 -5.327 -1.225 1.00 0.00 C ATOM 930 O GLU A 69 6.066 -5.113 -0.391 1.00 0.00 O ATOM 931 CB GLU A 69 6.140 -5.426 -3.536 1.00 0.00 C ATOM 932 CG GLU A 69 7.549 -5.610 -2.999 1.00 0.00 C ATOM 933 CD GLU A 69 8.520 -6.089 -4.061 1.00 0.00 C ATOM 934 OE1 GLU A 69 8.209 -5.937 -5.261 1.00 0.00 O ATOM 935 OE2 GLU A 69 9.590 -6.616 -3.693 1.00 0.00 O ATOM 0 H GLU A 69 6.590 -3.153 -2.053 1.00 0.00 H new ATOM 0 HA GLU A 69 4.211 -4.643 -3.003 1.00 0.00 H new ATOM 0 HB2 GLU A 69 5.703 -6.406 -3.729 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.190 -4.905 -4.492 1.00 0.00 H new ATOM 0 HG2 GLU A 69 7.903 -4.665 -2.588 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.530 -6.328 -2.179 1.00 0.00 H new ATOM 942 N TYR A 70 4.163 -6.145 -1.003 1.00 0.00 N ATOM 943 CA TYR A 70 4.011 -6.853 0.262 1.00 0.00 C ATOM 944 C TYR A 70 3.552 -8.289 0.031 1.00 0.00 C ATOM 945 O TYR A 70 2.924 -8.596 -0.982 1.00 0.00 O ATOM 946 CB TYR A 70 3.010 -6.124 1.161 1.00 0.00 C ATOM 947 CG TYR A 70 1.589 -6.170 0.647 1.00 0.00 C ATOM 948 CD1 TYR A 70 0.744 -7.222 0.976 1.00 0.00 C ATOM 949 CD2 TYR A 70 1.092 -5.160 -0.168 1.00 0.00 C ATOM 950 CE1 TYR A 70 -0.555 -7.267 0.507 1.00 0.00 C ATOM 951 CE2 TYR A 70 -0.206 -5.197 -0.640 1.00 0.00 C ATOM 952 CZ TYR A 70 -1.025 -6.253 -0.300 1.00 0.00 C ATOM 953 OH TYR A 70 -2.319 -6.294 -0.768 1.00 0.00 O ATOM 0 H TYR A 70 3.427 -6.334 -1.683 1.00 0.00 H new ATOM 0 HA TYR A 70 4.983 -6.877 0.755 1.00 0.00 H new ATOM 0 HB2 TYR A 70 3.041 -6.565 2.157 1.00 0.00 H new ATOM 0 HB3 TYR A 70 3.317 -5.083 1.263 1.00 0.00 H new ATOM 0 HD1 TYR A 70 1.108 -8.018 1.609 1.00 0.00 H new ATOM 0 HD2 TYR A 70 1.731 -4.332 -0.437 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -1.199 -8.093 0.771 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -0.577 -4.403 -1.272 1.00 0.00 H new ATOM 0 HH TYR A 70 -2.621 -5.385 -0.976 1.00 0.00 H new ATOM 963 N ILE A 71 3.870 -9.164 0.979 1.00 0.00 N ATOM 964 CA ILE A 71 3.490 -10.568 0.881 1.00 0.00 C ATOM 965 C ILE A 71 3.052 -11.115 2.235 1.00 0.00 C ATOM 966 O ILE A 71 3.867 -11.378 3.119 1.00 0.00 O ATOM 967 CB ILE A 71 4.648 -11.429 0.342 1.00 0.00 C ATOM 968 CG1 ILE A 71 4.962 -11.051 -1.107 1.00 0.00 C ATOM 969 CG2 ILE A 71 4.303 -12.907 0.447 1.00 0.00 C ATOM 970 CD1 ILE A 71 6.258 -11.642 -1.618 1.00 0.00 C ATOM 0 H ILE A 71 4.390 -8.926 1.824 1.00 0.00 H new ATOM 0 HA ILE A 71 2.654 -10.620 0.183 1.00 0.00 H new ATOM 0 HB ILE A 71 5.534 -11.239 0.947 1.00 0.00 H new ATOM 0 HG12 ILE A 71 4.144 -11.383 -1.746 1.00 0.00 H new ATOM 0 HG13 ILE A 71 5.010 -9.965 -1.189 1.00 0.00 H new ATOM 0 HG21 ILE A 71 5.131 -13.502 0.062 1.00 0.00 H new ATOM 0 HG22 ILE A 71 4.124 -13.166 1.491 1.00 0.00 H new ATOM 0 HG23 ILE A 71 3.406 -13.114 -0.137 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.417 -11.333 -2.651 1.00 0.00 H new ATOM 0 HD12 ILE A 71 7.086 -11.290 -1.003 1.00 0.00 H new ATOM 0 HD13 ILE A 71 6.206 -12.730 -1.569 1.00 0.00 H new ATOM 982 N PRO A 72 1.733 -11.292 2.403 1.00 0.00 N ATOM 983 CA PRO A 72 1.156 -11.812 3.646 1.00 0.00 C ATOM 984 C PRO A 72 1.481 -13.286 3.864 1.00 0.00 C ATOM 985 O PRO A 72 1.980 -13.962 2.964 1.00 0.00 O ATOM 986 CB PRO A 72 -0.350 -11.621 3.445 1.00 0.00 C ATOM 987 CG PRO A 72 -0.538 -11.623 1.968 1.00 0.00 C ATOM 988 CD PRO A 72 0.703 -11.000 1.391 1.00 0.00 C ATOM 0 HA PRO A 72 1.551 -11.301 4.524 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -0.917 -12.423 3.917 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -0.693 -10.685 3.886 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -0.675 -12.637 1.594 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -1.426 -11.056 1.687 1.00 0.00 H new ATOM 0 HD2 PRO A 72 0.957 -11.432 0.423 1.00 0.00 H new ATOM 0 HD3 PRO A 72 0.581 -9.928 1.239 1.00 0.00 H new ATOM 996 N PHE A 73 1.195 -13.779 5.065 1.00 0.00 N ATOM 997 CA PHE A 73 1.458 -15.173 5.401 1.00 0.00 C ATOM 998 C PHE A 73 0.165 -15.898 5.764 1.00 0.00 C ATOM 999 O PHE A 73 0.129 -17.126 5.834 1.00 0.00 O ATOM 1000 CB PHE A 73 2.449 -15.261 6.564 1.00 0.00 C ATOM 1001 CG PHE A 73 3.817 -14.742 6.226 1.00 0.00 C ATOM 1002 CD1 PHE A 73 3.989 -13.440 5.785 1.00 0.00 C ATOM 1003 CD2 PHE A 73 4.931 -15.557 6.349 1.00 0.00 C ATOM 1004 CE1 PHE A 73 5.247 -12.959 5.474 1.00 0.00 C ATOM 1005 CE2 PHE A 73 6.191 -15.081 6.040 1.00 0.00 C ATOM 1006 CZ PHE A 73 6.349 -13.781 5.601 1.00 0.00 C ATOM 0 H PHE A 73 0.781 -13.234 5.821 1.00 0.00 H new ATOM 0 HA PHE A 73 1.892 -15.656 4.526 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.055 -14.699 7.410 1.00 0.00 H new ATOM 0 HB3 PHE A 73 2.532 -16.300 6.883 1.00 0.00 H new ATOM 0 HD1 PHE A 73 3.130 -12.793 5.683 1.00 0.00 H new ATOM 0 HD2 PHE A 73 4.813 -16.575 6.690 1.00 0.00 H new ATOM 0 HE1 PHE A 73 5.368 -11.942 5.132 1.00 0.00 H new ATOM 0 HE2 PHE A 73 7.052 -15.725 6.142 1.00 0.00 H new ATOM 0 HZ PHE A 73 7.333 -13.408 5.357 1.00 0.00 H new ATOM 1016 N ALA A 74 -0.894 -15.129 5.993 1.00 0.00 N ATOM 1017 CA ALA A 74 -2.189 -15.696 6.347 1.00 0.00 C ATOM 1018 C ALA A 74 -3.328 -14.880 5.746 1.00 0.00 C ATOM 1019 O ALA A 74 -3.263 -13.654 5.651 1.00 0.00 O ATOM 1020 CB ALA A 74 -2.334 -15.777 7.859 1.00 0.00 C ATOM 0 H ALA A 74 -0.880 -14.110 5.940 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.242 -16.703 5.934 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -3.306 -16.202 8.109 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.545 -16.409 8.267 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.255 -14.777 8.286 1.00 0.00 H new ATOM 1026 N PRO A 75 -4.399 -15.573 5.330 1.00 0.00 N ATOM 1027 CA PRO A 75 -5.573 -14.932 4.732 1.00 0.00 C ATOM 1028 C PRO A 75 -6.371 -14.121 5.747 1.00 0.00 C ATOM 1029 O PRO A 75 -6.364 -14.421 6.940 1.00 0.00 O ATOM 1030 CB PRO A 75 -6.402 -16.115 4.222 1.00 0.00 C ATOM 1031 CG PRO A 75 -5.994 -17.261 5.083 1.00 0.00 C ATOM 1032 CD PRO A 75 -4.545 -17.036 5.413 1.00 0.00 C ATOM 0 HA PRO A 75 -5.297 -14.220 3.954 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -7.470 -15.916 4.307 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -6.198 -16.317 3.170 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -6.599 -17.303 5.989 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -6.133 -18.209 4.563 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -4.297 -17.409 6.407 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -3.888 -17.546 4.708 1.00 0.00 H new ATOM 1040 N GLY A 76 -7.060 -13.091 5.264 1.00 0.00 N ATOM 1041 CA GLY A 76 -7.854 -12.252 6.143 1.00 0.00 C ATOM 1042 C GLY A 76 -7.983 -10.832 5.629 1.00 0.00 C ATOM 1043 O GLY A 76 -7.680 -10.555 4.469 1.00 0.00 O ATOM 0 H GLY A 76 -7.082 -12.823 4.280 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -8.848 -12.686 6.255 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -7.400 -12.237 7.134 1.00 0.00 H new ATOM 1047 N ASP A 77 -8.436 -9.931 6.493 1.00 0.00 N ATOM 1048 CA ASP A 77 -8.606 -8.532 6.120 1.00 0.00 C ATOM 1049 C ASP A 77 -7.411 -7.699 6.574 1.00 0.00 C ATOM 1050 O ASP A 77 -7.209 -7.484 7.769 1.00 0.00 O ATOM 1051 CB ASP A 77 -9.893 -7.972 6.728 1.00 0.00 C ATOM 1052 CG ASP A 77 -10.148 -8.497 8.127 1.00 0.00 C ATOM 1053 OD1 ASP A 77 -10.507 -9.686 8.259 1.00 0.00 O ATOM 1054 OD2 ASP A 77 -9.989 -7.719 9.091 1.00 0.00 O ATOM 0 H ASP A 77 -8.692 -10.144 7.457 1.00 0.00 H new ATOM 0 HA ASP A 77 -8.673 -8.478 5.033 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -9.835 -6.884 6.756 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -10.736 -8.229 6.087 1.00 0.00 H new ATOM 1059 N TYR A 78 -6.621 -7.235 5.612 1.00 0.00 N ATOM 1060 CA TYR A 78 -5.443 -6.429 5.912 1.00 0.00 C ATOM 1061 C TYR A 78 -5.738 -4.944 5.728 1.00 0.00 C ATOM 1062 O TYR A 78 -6.692 -4.569 5.046 1.00 0.00 O ATOM 1063 CB TYR A 78 -4.274 -6.843 5.017 1.00 0.00 C ATOM 1064 CG TYR A 78 -3.593 -8.118 5.462 1.00 0.00 C ATOM 1065 CD1 TYR A 78 -4.211 -9.352 5.298 1.00 0.00 C ATOM 1066 CD2 TYR A 78 -2.333 -8.089 6.046 1.00 0.00 C ATOM 1067 CE1 TYR A 78 -3.593 -10.519 5.703 1.00 0.00 C ATOM 1068 CE2 TYR A 78 -1.707 -9.251 6.453 1.00 0.00 C ATOM 1069 CZ TYR A 78 -2.341 -10.464 6.280 1.00 0.00 C ATOM 1070 OH TYR A 78 -1.721 -11.624 6.685 1.00 0.00 O ATOM 0 H TYR A 78 -6.775 -7.403 4.618 1.00 0.00 H new ATOM 0 HA TYR A 78 -5.172 -6.601 6.954 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -4.636 -6.971 3.997 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -3.540 -6.037 4.996 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -5.191 -9.399 4.846 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -1.834 -7.141 6.184 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -4.087 -11.470 5.569 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -0.727 -9.210 6.904 1.00 0.00 H new ATOM 0 HH TYR A 78 -2.223 -12.397 6.352 1.00 0.00 H new ATOM 1080 N ASP A 79 -4.912 -4.103 6.341 1.00 0.00 N ATOM 1081 CA ASP A 79 -5.081 -2.658 6.244 1.00 0.00 C ATOM 1082 C ASP A 79 -3.761 -1.978 5.895 1.00 0.00 C ATOM 1083 O ASP A 79 -2.905 -1.780 6.757 1.00 0.00 O ATOM 1084 CB ASP A 79 -5.625 -2.098 7.560 1.00 0.00 C ATOM 1085 CG ASP A 79 -7.140 -2.138 7.624 1.00 0.00 C ATOM 1086 OD1 ASP A 79 -7.743 -2.944 6.886 1.00 0.00 O ATOM 1087 OD2 ASP A 79 -7.721 -1.362 8.411 1.00 0.00 O ATOM 0 H ASP A 79 -4.119 -4.397 6.910 1.00 0.00 H new ATOM 0 HA ASP A 79 -5.796 -2.453 5.447 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -5.214 -2.669 8.392 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -5.286 -1.069 7.681 1.00 0.00 H new ATOM 1092 N VAL A 80 -3.602 -1.624 4.624 1.00 0.00 N ATOM 1093 CA VAL A 80 -2.386 -0.967 4.160 1.00 0.00 C ATOM 1094 C VAL A 80 -2.310 0.469 4.667 1.00 0.00 C ATOM 1095 O VAL A 80 -3.075 1.331 4.238 1.00 0.00 O ATOM 1096 CB VAL A 80 -2.304 -0.960 2.622 1.00 0.00 C ATOM 1097 CG1 VAL A 80 -1.012 -0.303 2.159 1.00 0.00 C ATOM 1098 CG2 VAL A 80 -2.416 -2.376 2.077 1.00 0.00 C ATOM 0 H VAL A 80 -4.300 -1.781 3.897 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.547 -1.536 4.559 1.00 0.00 H new ATOM 0 HB VAL A 80 -3.139 -0.378 2.233 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -0.972 -0.307 1.070 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.977 0.725 2.519 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.160 -0.856 2.556 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -2.356 -2.353 0.989 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.602 -2.983 2.472 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.370 -2.808 2.379 1.00 0.00 H new ATOM 1108 N ASN A 81 -1.380 0.718 5.584 1.00 0.00 N ATOM 1109 CA ASN A 81 -1.203 2.049 6.151 1.00 0.00 C ATOM 1110 C ASN A 81 -0.132 2.826 5.391 1.00 0.00 C ATOM 1111 O ASN A 81 1.026 2.413 5.334 1.00 0.00 O ATOM 1112 CB ASN A 81 -0.824 1.950 7.630 1.00 0.00 C ATOM 1113 CG ASN A 81 -1.964 1.435 8.486 1.00 0.00 C ATOM 1114 OD1 ASN A 81 -2.714 2.213 9.076 1.00 0.00 O ATOM 1115 ND2 ASN A 81 -2.100 0.116 8.558 1.00 0.00 N ATOM 0 H ASN A 81 -0.738 0.015 5.950 1.00 0.00 H new ATOM 0 HA ASN A 81 -2.148 2.584 6.060 1.00 0.00 H new ATOM 0 HB2 ASN A 81 0.036 1.289 7.738 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -0.518 2.932 7.990 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -2.849 -0.290 9.119 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -1.455 -0.492 8.052 1.00 0.00 H new ATOM 1122 N ILE A 82 -0.528 3.954 4.809 1.00 0.00 N ATOM 1123 CA ILE A 82 0.398 4.789 4.054 1.00 0.00 C ATOM 1124 C ILE A 82 0.405 6.219 4.584 1.00 0.00 C ATOM 1125 O ILE A 82 -0.643 6.853 4.707 1.00 0.00 O ATOM 1126 CB ILE A 82 0.043 4.810 2.556 1.00 0.00 C ATOM 1127 CG1 ILE A 82 -0.015 3.385 2.003 1.00 0.00 C ATOM 1128 CG2 ILE A 82 1.055 5.643 1.784 1.00 0.00 C ATOM 1129 CD1 ILE A 82 -0.948 3.233 0.822 1.00 0.00 C ATOM 0 H ILE A 82 -1.483 4.310 4.846 1.00 0.00 H new ATOM 0 HA ILE A 82 1.389 4.353 4.178 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.940 5.266 2.437 1.00 0.00 H new ATOM 0 HG12 ILE A 82 0.988 3.078 1.705 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -0.333 2.709 2.796 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.791 5.648 0.727 1.00 0.00 H new ATOM 0 HG22 ILE A 82 1.051 6.665 2.164 1.00 0.00 H new ATOM 0 HG23 ILE A 82 2.049 5.214 1.907 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.939 2.197 0.482 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.960 3.508 1.120 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -0.619 3.884 0.012 1.00 0.00 H new ATOM 1141 N THR A 83 1.595 6.722 4.896 1.00 0.00 N ATOM 1142 CA THR A 83 1.740 8.078 5.412 1.00 0.00 C ATOM 1143 C THR A 83 2.894 8.805 4.732 1.00 0.00 C ATOM 1144 O THR A 83 3.900 8.193 4.372 1.00 0.00 O ATOM 1145 CB THR A 83 1.976 8.077 6.935 1.00 0.00 C ATOM 1146 OG1 THR A 83 2.975 7.110 7.275 1.00 0.00 O ATOM 1147 CG2 THR A 83 0.687 7.767 7.681 1.00 0.00 C ATOM 0 H THR A 83 2.473 6.211 4.800 1.00 0.00 H new ATOM 0 HA THR A 83 0.808 8.600 5.196 1.00 0.00 H new ATOM 0 HB THR A 83 2.318 9.069 7.229 1.00 0.00 H new ATOM 0 HG1 THR A 83 3.120 7.117 8.244 1.00 0.00 H new ATOM 0 HG21 THR A 83 0.878 7.772 8.754 1.00 0.00 H new ATOM 0 HG22 THR A 83 -0.062 8.522 7.442 1.00 0.00 H new ATOM 0 HG23 THR A 83 0.321 6.785 7.382 1.00 0.00 H new ATOM 1155 N TYR A 84 2.743 10.113 4.558 1.00 0.00 N ATOM 1156 CA TYR A 84 3.772 10.923 3.918 1.00 0.00 C ATOM 1157 C TYR A 84 4.344 11.947 4.894 1.00 0.00 C ATOM 1158 O TYR A 84 3.674 12.910 5.264 1.00 0.00 O ATOM 1159 CB TYR A 84 3.201 11.635 2.691 1.00 0.00 C ATOM 1160 CG TYR A 84 4.249 12.020 1.671 1.00 0.00 C ATOM 1161 CD1 TYR A 84 4.976 11.049 0.994 1.00 0.00 C ATOM 1162 CD2 TYR A 84 4.513 13.354 1.387 1.00 0.00 C ATOM 1163 CE1 TYR A 84 5.936 11.396 0.062 1.00 0.00 C ATOM 1164 CE2 TYR A 84 5.470 13.710 0.456 1.00 0.00 C ATOM 1165 CZ TYR A 84 6.178 12.727 -0.204 1.00 0.00 C ATOM 1166 OH TYR A 84 7.133 13.078 -1.131 1.00 0.00 O ATOM 0 H TYR A 84 1.917 10.635 4.851 1.00 0.00 H new ATOM 0 HA TYR A 84 4.577 10.259 3.602 1.00 0.00 H new ATOM 0 HB2 TYR A 84 2.464 10.987 2.216 1.00 0.00 H new ATOM 0 HB3 TYR A 84 2.674 12.533 3.015 1.00 0.00 H new ATOM 0 HD1 TYR A 84 4.788 10.005 1.199 1.00 0.00 H new ATOM 0 HD2 TYR A 84 3.961 14.126 1.903 1.00 0.00 H new ATOM 0 HE1 TYR A 84 6.493 10.629 -0.455 1.00 0.00 H new ATOM 0 HE2 TYR A 84 5.663 14.752 0.246 1.00 0.00 H new ATOM 0 HH TYR A 84 7.178 14.054 -1.200 1.00 0.00 H new ATOM 1176 N GLY A 85 5.589 11.731 5.306 1.00 0.00 N ATOM 1177 CA GLY A 85 6.232 12.642 6.235 1.00 0.00 C ATOM 1178 C GLY A 85 5.736 12.468 7.656 1.00 0.00 C ATOM 1179 O GLY A 85 6.487 12.048 8.536 1.00 0.00 O ATOM 0 H GLY A 85 6.164 10.941 5.013 1.00 0.00 H new ATOM 0 HA2 GLY A 85 7.310 12.482 6.208 1.00 0.00 H new ATOM 0 HA3 GLY A 85 6.054 13.668 5.914 1.00 0.00 H new ATOM 1183 N GLY A 86 4.466 12.792 7.882 1.00 0.00 N ATOM 1184 CA GLY A 86 3.893 12.663 9.209 1.00 0.00 C ATOM 1185 C GLY A 86 2.379 12.742 9.197 1.00 0.00 C ATOM 1186 O GLY A 86 1.760 13.078 10.206 1.00 0.00 O ATOM 0 H GLY A 86 3.824 13.141 7.170 1.00 0.00 H new ATOM 0 HA2 GLY A 86 4.201 11.712 9.643 1.00 0.00 H new ATOM 0 HA3 GLY A 86 4.290 13.450 9.851 1.00 0.00 H new ATOM 1190 N ALA A 87 1.781 12.434 8.051 1.00 0.00 N ATOM 1191 CA ALA A 87 0.331 12.471 7.912 1.00 0.00 C ATOM 1192 C ALA A 87 -0.180 11.249 7.156 1.00 0.00 C ATOM 1193 O ALA A 87 0.597 10.516 6.543 1.00 0.00 O ATOM 1194 CB ALA A 87 -0.098 13.748 7.205 1.00 0.00 C ATOM 0 H ALA A 87 2.279 12.156 7.205 1.00 0.00 H new ATOM 0 HA ALA A 87 -0.105 12.456 8.911 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -1.184 13.763 7.108 1.00 0.00 H new ATOM 0 HB2 ALA A 87 0.226 14.612 7.785 1.00 0.00 H new ATOM 0 HB3 ALA A 87 0.356 13.786 6.215 1.00 0.00 H new ATOM 1200 N HIS A 88 -1.491 11.034 7.205 1.00 0.00 N ATOM 1201 CA HIS A 88 -2.105 9.899 6.524 1.00 0.00 C ATOM 1202 C HIS A 88 -2.812 10.348 5.249 1.00 0.00 C ATOM 1203 O HIS A 88 -3.612 11.283 5.268 1.00 0.00 O ATOM 1204 CB HIS A 88 -3.098 9.198 7.452 1.00 0.00 C ATOM 1205 CG HIS A 88 -2.456 8.223 8.390 1.00 0.00 C ATOM 1206 ND1 HIS A 88 -2.420 6.864 8.154 1.00 0.00 N ATOM 1207 CD2 HIS A 88 -1.820 8.415 9.569 1.00 0.00 C ATOM 1208 CE1 HIS A 88 -1.792 6.264 9.149 1.00 0.00 C ATOM 1209 NE2 HIS A 88 -1.418 7.183 10.021 1.00 0.00 N ATOM 0 H HIS A 88 -2.148 11.630 7.708 1.00 0.00 H new ATOM 0 HA HIS A 88 -1.315 9.198 6.253 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -3.633 9.950 8.033 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -3.839 8.674 6.848 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -1.659 9.362 10.063 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -1.614 5.202 9.235 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -0.913 7.006 10.889 1.00 0.00 H new ATOM 1218 N ILE A 89 -2.509 9.676 4.143 1.00 0.00 N ATOM 1219 CA ILE A 89 -3.116 10.006 2.860 1.00 0.00 C ATOM 1220 C ILE A 89 -4.599 9.653 2.846 1.00 0.00 C ATOM 1221 O ILE A 89 -5.049 8.729 3.524 1.00 0.00 O ATOM 1222 CB ILE A 89 -2.415 9.274 1.700 1.00 0.00 C ATOM 1223 CG1 ILE A 89 -2.558 7.760 1.863 1.00 0.00 C ATOM 1224 CG2 ILE A 89 -0.946 9.669 1.636 1.00 0.00 C ATOM 1225 CD1 ILE A 89 -2.402 6.995 0.568 1.00 0.00 C ATOM 0 H ILE A 89 -1.847 8.900 4.110 1.00 0.00 H new ATOM 0 HA ILE A 89 -2.999 11.081 2.724 1.00 0.00 H new ATOM 0 HB ILE A 89 -2.891 9.566 0.764 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -1.812 7.408 2.576 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -3.536 7.540 2.290 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -0.464 9.144 0.812 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -0.865 10.744 1.478 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -0.456 9.402 2.572 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -2.515 5.928 0.760 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -3.164 7.319 -0.140 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -1.414 7.185 0.150 1.00 0.00 H new ATOM 1237 N PRO A 90 -5.379 10.404 2.053 1.00 0.00 N ATOM 1238 CA PRO A 90 -6.824 10.187 1.929 1.00 0.00 C ATOM 1239 C PRO A 90 -7.155 8.893 1.194 1.00 0.00 C ATOM 1240 O PRO A 90 -7.230 8.866 -0.033 1.00 0.00 O ATOM 1241 CB PRO A 90 -7.296 11.397 1.120 1.00 0.00 C ATOM 1242 CG PRO A 90 -6.097 11.826 0.345 1.00 0.00 C ATOM 1243 CD PRO A 90 -4.910 11.521 1.217 1.00 0.00 C ATOM 0 HA PRO A 90 -7.307 10.093 2.902 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -8.121 11.133 0.459 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -7.652 12.195 1.772 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -6.033 11.291 -0.603 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -6.145 12.889 0.109 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -4.038 11.242 0.626 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -4.623 12.382 1.821 1.00 0.00 H new ATOM 1251 N GLY A 91 -7.353 7.820 1.954 1.00 0.00 N ATOM 1252 CA GLY A 91 -7.674 6.537 1.357 1.00 0.00 C ATOM 1253 C GLY A 91 -7.136 5.371 2.163 1.00 0.00 C ATOM 1254 O GLY A 91 -7.467 4.216 1.894 1.00 0.00 O ATOM 0 H GLY A 91 -7.297 7.817 2.972 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.756 6.443 1.266 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -7.264 6.497 0.348 1.00 0.00 H new ATOM 1258 N SER A 92 -6.304 5.673 3.155 1.00 0.00 N ATOM 1259 CA SER A 92 -5.715 4.641 3.999 1.00 0.00 C ATOM 1260 C SER A 92 -6.282 4.707 5.414 1.00 0.00 C ATOM 1261 O SER A 92 -6.713 5.758 5.889 1.00 0.00 O ATOM 1262 CB SER A 92 -4.193 4.793 4.040 1.00 0.00 C ATOM 1263 OG SER A 92 -3.671 4.360 5.285 1.00 0.00 O ATOM 0 H SER A 92 -6.023 6.624 3.393 1.00 0.00 H new ATOM 0 HA SER A 92 -5.965 3.670 3.571 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.745 4.214 3.233 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.924 5.836 3.872 1.00 0.00 H new ATOM 0 HG SER A 92 -3.204 5.104 5.720 1.00 0.00 H new ATOM 1269 N PRO A 93 -6.283 3.557 6.105 1.00 0.00 N ATOM 1270 CA PRO A 93 -5.773 2.300 5.550 1.00 0.00 C ATOM 1271 C PRO A 93 -6.667 1.750 4.443 1.00 0.00 C ATOM 1272 O PRO A 93 -7.869 2.015 4.413 1.00 0.00 O ATOM 1273 CB PRO A 93 -5.771 1.355 6.754 1.00 0.00 C ATOM 1274 CG PRO A 93 -6.812 1.904 7.668 1.00 0.00 C ATOM 1275 CD PRO A 93 -6.782 3.396 7.481 1.00 0.00 C ATOM 0 HA PRO A 93 -4.794 2.426 5.088 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -6.005 0.333 6.456 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -4.794 1.330 7.236 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.795 1.500 7.427 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -6.603 1.636 8.704 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -7.771 3.836 7.604 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -6.126 3.879 8.205 1.00 0.00 H new ATOM 1283 N PHE A 94 -6.073 0.982 3.536 1.00 0.00 N ATOM 1284 CA PHE A 94 -6.816 0.395 2.427 1.00 0.00 C ATOM 1285 C PHE A 94 -7.094 -1.084 2.681 1.00 0.00 C ATOM 1286 O PHE A 94 -6.201 -1.923 2.565 1.00 0.00 O ATOM 1287 CB PHE A 94 -6.039 0.562 1.119 1.00 0.00 C ATOM 1288 CG PHE A 94 -5.930 1.989 0.665 1.00 0.00 C ATOM 1289 CD1 PHE A 94 -5.033 2.856 1.268 1.00 0.00 C ATOM 1290 CD2 PHE A 94 -6.725 2.465 -0.366 1.00 0.00 C ATOM 1291 CE1 PHE A 94 -4.931 4.170 0.853 1.00 0.00 C ATOM 1292 CE2 PHE A 94 -6.627 3.778 -0.786 1.00 0.00 C ATOM 1293 CZ PHE A 94 -5.729 4.631 -0.177 1.00 0.00 C ATOM 0 H PHE A 94 -5.079 0.752 3.547 1.00 0.00 H new ATOM 0 HA PHE A 94 -7.769 0.917 2.344 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -5.037 0.152 1.246 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -6.526 -0.023 0.339 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -4.406 2.500 2.072 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -7.429 1.802 -0.847 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -4.229 4.836 1.333 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -7.253 4.136 -1.590 1.00 0.00 H new ATOM 0 HZ PHE A 94 -5.650 5.657 -0.505 1.00 0.00 H new ATOM 1303 N ARG A 95 -8.339 -1.395 3.029 1.00 0.00 N ATOM 1304 CA ARG A 95 -8.735 -2.771 3.302 1.00 0.00 C ATOM 1305 C ARG A 95 -8.604 -3.632 2.049 1.00 0.00 C ATOM 1306 O ARG A 95 -9.110 -3.279 0.984 1.00 0.00 O ATOM 1307 CB ARG A 95 -10.174 -2.817 3.818 1.00 0.00 C ATOM 1308 CG ARG A 95 -10.486 -4.055 4.642 1.00 0.00 C ATOM 1309 CD ARG A 95 -10.804 -5.249 3.755 1.00 0.00 C ATOM 1310 NE ARG A 95 -12.145 -5.164 3.183 1.00 0.00 N ATOM 1311 CZ ARG A 95 -13.258 -5.234 3.904 1.00 0.00 C ATOM 1312 NH1 ARG A 95 -13.191 -5.389 5.219 1.00 0.00 N ATOM 1313 NH2 ARG A 95 -14.442 -5.148 3.310 1.00 0.00 N ATOM 0 H ARG A 95 -9.090 -0.712 3.128 1.00 0.00 H new ATOM 0 HA ARG A 95 -8.069 -3.170 4.068 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -10.362 -1.931 4.424 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -10.857 -2.774 2.969 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -9.636 -4.292 5.281 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -11.332 -3.853 5.299 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -10.070 -5.309 2.951 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -10.715 -6.167 4.337 1.00 0.00 H new ATOM 0 HE ARG A 95 -12.232 -5.044 2.174 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -12.283 -5.455 5.679 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -14.047 -5.442 5.771 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -14.498 -5.028 2.299 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -15.296 -5.202 3.865 1.00 0.00 H new ATOM 1327 N VAL A 96 -7.922 -4.765 2.184 1.00 0.00 N ATOM 1328 CA VAL A 96 -7.725 -5.677 1.064 1.00 0.00 C ATOM 1329 C VAL A 96 -8.029 -7.116 1.468 1.00 0.00 C ATOM 1330 O VAL A 96 -7.414 -7.676 2.375 1.00 0.00 O ATOM 1331 CB VAL A 96 -6.284 -5.601 0.525 1.00 0.00 C ATOM 1332 CG1 VAL A 96 -6.171 -6.339 -0.800 1.00 0.00 C ATOM 1333 CG2 VAL A 96 -5.848 -4.151 0.376 1.00 0.00 C ATOM 0 H VAL A 96 -7.497 -5.073 3.058 1.00 0.00 H new ATOM 0 HA VAL A 96 -8.415 -5.369 0.279 1.00 0.00 H new ATOM 0 HB VAL A 96 -5.620 -6.085 1.241 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -5.146 -6.275 -1.166 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -6.441 -7.385 -0.658 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -6.845 -5.886 -1.527 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -4.828 -4.115 -0.006 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -6.514 -3.640 -0.320 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -5.890 -3.657 1.347 1.00 0.00 H new ATOM 1343 N PRO A 97 -9.001 -7.731 0.778 1.00 0.00 N ATOM 1344 CA PRO A 97 -9.409 -9.113 1.045 1.00 0.00 C ATOM 1345 C PRO A 97 -8.344 -10.122 0.632 1.00 0.00 C ATOM 1346 O PRO A 97 -8.223 -10.467 -0.544 1.00 0.00 O ATOM 1347 CB PRO A 97 -10.667 -9.284 0.190 1.00 0.00 C ATOM 1348 CG PRO A 97 -10.514 -8.292 -0.911 1.00 0.00 C ATOM 1349 CD PRO A 97 -9.777 -7.124 -0.317 1.00 0.00 C ATOM 0 HA PRO A 97 -9.572 -9.291 2.108 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -10.746 -10.299 -0.200 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -11.569 -9.095 0.771 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -9.960 -8.719 -1.747 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -11.486 -7.985 -1.297 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -9.129 -6.643 -1.050 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -10.463 -6.361 0.051 1.00 0.00 H new ATOM 1357 N VAL A 98 -7.572 -10.593 1.607 1.00 0.00 N ATOM 1358 CA VAL A 98 -6.517 -11.565 1.344 1.00 0.00 C ATOM 1359 C VAL A 98 -7.067 -12.987 1.343 1.00 0.00 C ATOM 1360 O VAL A 98 -7.441 -13.521 2.387 1.00 0.00 O ATOM 1361 CB VAL A 98 -5.388 -11.464 2.388 1.00 0.00 C ATOM 1362 CG1 VAL A 98 -4.315 -12.507 2.117 1.00 0.00 C ATOM 1363 CG2 VAL A 98 -4.793 -10.064 2.394 1.00 0.00 C ATOM 0 H VAL A 98 -7.657 -10.317 2.585 1.00 0.00 H new ATOM 0 HA VAL A 98 -6.113 -11.334 0.358 1.00 0.00 H new ATOM 0 HB VAL A 98 -5.809 -11.660 3.374 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.526 -12.420 2.864 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -4.755 -13.503 2.168 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.894 -12.346 1.125 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -3.997 -10.010 3.137 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -4.386 -9.838 1.409 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -5.569 -9.340 2.641 1.00 0.00 H new ATOM 1373 N LYS A 99 -7.112 -13.596 0.163 1.00 0.00 N ATOM 1374 CA LYS A 99 -7.615 -14.958 0.023 1.00 0.00 C ATOM 1375 C LYS A 99 -6.470 -15.939 -0.206 1.00 0.00 C ATOM 1376 O LYS A 99 -5.389 -15.554 -0.652 1.00 0.00 O ATOM 1377 CB LYS A 99 -8.611 -15.040 -1.136 1.00 0.00 C ATOM 1378 CG LYS A 99 -9.700 -13.982 -1.078 1.00 0.00 C ATOM 1379 CD LYS A 99 -10.356 -13.783 -2.434 1.00 0.00 C ATOM 1380 CE LYS A 99 -11.672 -13.031 -2.311 1.00 0.00 C ATOM 1381 NZ LYS A 99 -12.245 -12.694 -3.643 1.00 0.00 N ATOM 0 H LYS A 99 -6.806 -13.168 -0.711 1.00 0.00 H new ATOM 0 HA LYS A 99 -8.123 -15.228 0.949 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -8.070 -14.941 -2.077 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -9.074 -16.027 -1.137 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -10.454 -14.274 -0.347 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -9.274 -13.038 -0.737 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -9.681 -13.232 -3.089 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -10.532 -14.752 -2.900 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -12.385 -13.636 -1.752 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -11.515 -12.115 -1.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -12.989 -11.977 -3.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -11.495 -12.320 -4.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -12.652 -13.549 -4.073 1.00 0.00 H new