USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=19 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 81 ASN : amide:sc= 0 X(o=-2,f=-2.1) USER MOD Set 1.2: A 88 HIS : no HD1:sc= -0.893 X(o=-2,f=-2.1) USER MOD Set 1.3: A 92 SER OG : rot -120:sc= -1.08 USER MOD Set 2.1: A 52 SER OG : rot -46:sc= 1.34 USER MOD Set 2.2: A 78 TYR OH : rot 7:sc= 2.1 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -2.38! C(o=-2.4!,f=-2.1!) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 26:sc= 0.0493 USER MOD Single : A 27 ASN :FLIP amide:sc= -0.312 F(o=-2.7!,f=-0.31) USER MOD Single : A 28 LYS NZ :NH3+ -128:sc= -0.261 (180deg=-1.06) USER MOD Single : A 30 ASN :FLIP amide:sc= -0.679 F(o=-1.4,f=-0.68) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 65:sc= 0.111 USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.816 USER MOD Single : A 54 SER OG : rot 106:sc= 0.0093 USER MOD Single : A 55 LYS NZ :NH3+ 166:sc=-0.00397 (180deg=-0.122) USER MOD Single : A 57 ASN : amide:sc= -0.383 X(o=-0.38,f=-0.39) USER MOD Single : A 58 CYS SG : rot 19:sc= 0.0555 USER MOD Single : A 66 CYS SG : rot 170:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 137:sc= -1.16 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 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 101 N PRO A 11 -0.449 15.592 2.200 1.00 0.00 N ATOM 102 CA PRO A 11 -0.793 14.168 2.184 1.00 0.00 C ATOM 103 C PRO A 11 -2.096 13.894 1.440 1.00 0.00 C ATOM 104 O PRO A 11 -2.522 12.746 1.316 1.00 0.00 O ATOM 105 CB PRO A 11 -0.941 13.822 3.668 1.00 0.00 C ATOM 106 CG PRO A 11 -1.293 15.112 4.324 1.00 0.00 C ATOM 107 CD PRO A 11 -0.581 16.182 3.543 1.00 0.00 C ATOM 0 HA PRO A 11 -0.041 13.573 1.667 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.718 13.073 3.824 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.016 13.411 4.073 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -2.371 15.273 4.314 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -0.980 15.117 5.368 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -1.152 17.110 3.520 1.00 0.00 H new ATOM 0 HD3 PRO A 11 0.391 16.417 3.976 1.00 0.00 H new ATOM 115 N SER A 12 -2.725 14.957 0.948 1.00 0.00 N ATOM 116 CA SER A 12 -3.982 14.831 0.219 1.00 0.00 C ATOM 117 C SER A 12 -3.731 14.725 -1.282 1.00 0.00 C ATOM 118 O SER A 12 -4.564 14.206 -2.026 1.00 0.00 O ATOM 119 CB SER A 12 -4.888 16.029 0.512 1.00 0.00 C ATOM 120 OG SER A 12 -4.278 17.241 0.105 1.00 0.00 O ATOM 0 H SER A 12 -2.385 15.914 1.041 1.00 0.00 H new ATOM 0 HA SER A 12 -4.477 13.919 0.553 1.00 0.00 H new ATOM 0 HB2 SER A 12 -5.839 15.905 -0.006 1.00 0.00 H new ATOM 0 HB3 SER A 12 -5.109 16.070 1.579 1.00 0.00 H new ATOM 0 HG SER A 12 -4.877 17.991 0.301 1.00 0.00 H new ATOM 126 N ARG A 13 -2.578 15.219 -1.720 1.00 0.00 N ATOM 127 CA ARG A 13 -2.217 15.181 -3.132 1.00 0.00 C ATOM 128 C ARG A 13 -1.683 13.805 -3.520 1.00 0.00 C ATOM 129 O ARG A 13 -1.564 13.484 -4.702 1.00 0.00 O ATOM 130 CB ARG A 13 -1.169 16.252 -3.441 1.00 0.00 C ATOM 131 CG ARG A 13 -1.591 17.653 -3.031 1.00 0.00 C ATOM 132 CD ARG A 13 -2.515 18.282 -4.062 1.00 0.00 C ATOM 133 NE ARG A 13 -3.877 17.766 -3.963 1.00 0.00 N ATOM 134 CZ ARG A 13 -4.749 17.795 -4.965 1.00 0.00 C ATOM 135 NH1 ARG A 13 -4.401 18.312 -6.135 1.00 0.00 N ATOM 136 NH2 ARG A 13 -5.971 17.307 -4.797 1.00 0.00 N ATOM 0 H ARG A 13 -1.877 15.650 -1.117 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.115 15.381 -3.716 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -0.240 15.997 -2.930 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -0.958 16.244 -4.510 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -2.095 17.614 -2.065 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -0.707 18.278 -2.904 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -2.526 19.364 -3.927 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -2.126 18.090 -5.062 1.00 0.00 H new ATOM 0 HE ARG A 13 -4.176 17.361 -3.076 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -3.462 18.688 -6.267 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -5.072 18.333 -6.903 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -6.242 16.909 -3.898 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -6.640 17.330 -5.567 1.00 0.00 H new ATOM 150 N VAL A 14 -1.363 12.995 -2.515 1.00 0.00 N ATOM 151 CA VAL A 14 -0.843 11.654 -2.751 1.00 0.00 C ATOM 152 C VAL A 14 -1.942 10.715 -3.236 1.00 0.00 C ATOM 153 O VAL A 14 -3.091 10.817 -2.808 1.00 0.00 O ATOM 154 CB VAL A 14 -0.207 11.067 -1.476 1.00 0.00 C ATOM 155 CG1 VAL A 14 0.443 9.724 -1.774 1.00 0.00 C ATOM 156 CG2 VAL A 14 0.805 12.040 -0.890 1.00 0.00 C ATOM 0 H VAL A 14 -1.455 13.245 -1.530 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.078 11.742 -3.523 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.993 10.908 -0.738 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.887 9.324 -0.862 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.311 9.029 -2.145 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.219 9.855 -2.528 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.245 11.610 0.010 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.590 12.232 -1.621 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.306 12.976 -0.638 1.00 0.00 H new ATOM 166 N GLN A 15 -1.580 9.802 -4.130 1.00 0.00 N ATOM 167 CA GLN A 15 -2.536 8.844 -4.674 1.00 0.00 C ATOM 168 C GLN A 15 -2.008 7.419 -4.553 1.00 0.00 C ATOM 169 O GLN A 15 -0.809 7.178 -4.685 1.00 0.00 O ATOM 170 CB GLN A 15 -2.837 9.168 -6.138 1.00 0.00 C ATOM 171 CG GLN A 15 -1.698 9.878 -6.851 1.00 0.00 C ATOM 172 CD GLN A 15 -2.039 10.236 -8.284 1.00 0.00 C ATOM 173 OE1 GLN A 15 -1.829 11.368 -8.720 1.00 0.00 O ATOM 174 NE2 GLN A 15 -2.567 9.269 -9.026 1.00 0.00 N ATOM 0 H GLN A 15 -0.632 9.705 -4.494 1.00 0.00 H new ATOM 0 HA GLN A 15 -3.457 8.920 -4.096 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -3.065 8.242 -6.667 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -3.730 9.791 -6.187 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -1.442 10.786 -6.305 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -0.814 9.240 -6.840 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -2.724 8.345 -8.623 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -2.816 9.450 -9.998 1.00 0.00 H new ATOM 183 N ALA A 16 -2.912 6.477 -4.302 1.00 0.00 N ATOM 184 CA ALA A 16 -2.537 5.076 -4.166 1.00 0.00 C ATOM 185 C ALA A 16 -3.562 4.165 -4.833 1.00 0.00 C ATOM 186 O ALA A 16 -4.735 4.160 -4.461 1.00 0.00 O ATOM 187 CB ALA A 16 -2.382 4.711 -2.696 1.00 0.00 C ATOM 0 H ALA A 16 -3.909 6.660 -4.189 1.00 0.00 H new ATOM 0 HA ALA A 16 -1.580 4.932 -4.668 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.102 3.661 -2.609 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -1.607 5.332 -2.247 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.326 4.878 -2.178 1.00 0.00 H new ATOM 193 N GLN A 17 -3.112 3.399 -5.821 1.00 0.00 N ATOM 194 CA GLN A 17 -3.992 2.486 -6.541 1.00 0.00 C ATOM 195 C GLN A 17 -3.243 1.225 -6.960 1.00 0.00 C ATOM 196 O GLN A 17 -2.019 1.155 -6.859 1.00 0.00 O ATOM 197 CB GLN A 17 -4.580 3.176 -7.772 1.00 0.00 C ATOM 198 CG GLN A 17 -3.550 3.488 -8.846 1.00 0.00 C ATOM 199 CD GLN A 17 -4.158 3.566 -10.233 1.00 0.00 C ATOM 200 OE1 GLN A 17 -4.167 2.583 -10.975 1.00 0.00 O ATOM 201 NE2 GLN A 17 -4.671 4.737 -10.590 1.00 0.00 N ATOM 0 H GLN A 17 -2.144 3.392 -6.141 1.00 0.00 H new ATOM 0 HA GLN A 17 -4.803 2.200 -5.871 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -5.356 2.540 -8.198 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -5.062 4.103 -7.463 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -3.063 4.435 -8.613 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -2.776 2.721 -8.835 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -4.642 5.525 -9.943 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -5.094 4.849 -11.511 1.00 0.00 H new ATOM 210 N GLY A 18 -3.988 0.229 -7.430 1.00 0.00 N ATOM 211 CA GLY A 18 -3.377 -1.017 -7.857 1.00 0.00 C ATOM 212 C GLY A 18 -4.039 -2.230 -7.235 1.00 0.00 C ATOM 213 O GLY A 18 -5.013 -2.119 -6.491 1.00 0.00 O ATOM 0 H GLY A 18 -5.003 0.262 -7.523 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.434 -1.093 -8.943 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -2.319 -1.009 -7.593 1.00 0.00 H new ATOM 217 N PRO A 19 -3.506 -3.422 -7.542 1.00 0.00 N ATOM 218 CA PRO A 19 -4.037 -4.685 -7.019 1.00 0.00 C ATOM 219 C PRO A 19 -3.782 -4.846 -5.524 1.00 0.00 C ATOM 220 O PRO A 19 -4.651 -5.301 -4.782 1.00 0.00 O ATOM 221 CB PRO A 19 -3.269 -5.747 -7.810 1.00 0.00 C ATOM 222 CG PRO A 19 -1.999 -5.077 -8.210 1.00 0.00 C ATOM 223 CD PRO A 19 -2.344 -3.629 -8.423 1.00 0.00 C ATOM 0 HA PRO A 19 -5.119 -4.750 -7.131 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.076 -6.631 -7.202 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -3.834 -6.077 -8.682 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.239 -5.187 -7.436 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.594 -5.520 -9.120 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -1.515 -2.975 -8.155 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.588 -3.423 -9.465 1.00 0.00 H new ATOM 231 N GLY A 20 -2.583 -4.468 -5.089 1.00 0.00 N ATOM 232 CA GLY A 20 -2.236 -4.579 -3.684 1.00 0.00 C ATOM 233 C GLY A 20 -3.196 -3.822 -2.788 1.00 0.00 C ATOM 234 O GLY A 20 -3.184 -3.991 -1.568 1.00 0.00 O ATOM 0 H GLY A 20 -1.847 -4.087 -5.684 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.228 -5.630 -3.397 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -1.226 -4.200 -3.531 1.00 0.00 H new ATOM 238 N LEU A 21 -4.031 -2.983 -3.393 1.00 0.00 N ATOM 239 CA LEU A 21 -5.002 -2.196 -2.641 1.00 0.00 C ATOM 240 C LEU A 21 -6.424 -2.669 -2.925 1.00 0.00 C ATOM 241 O LEU A 21 -7.318 -2.520 -2.092 1.00 0.00 O ATOM 242 CB LEU A 21 -4.866 -0.713 -2.992 1.00 0.00 C ATOM 243 CG LEU A 21 -3.489 -0.091 -2.756 1.00 0.00 C ATOM 244 CD1 LEU A 21 -3.429 1.311 -3.344 1.00 0.00 C ATOM 245 CD2 LEU A 21 -3.165 -0.061 -1.269 1.00 0.00 C ATOM 0 H LEU A 21 -4.055 -2.831 -4.401 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.799 -2.332 -1.579 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.126 -0.584 -4.043 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.600 -0.154 -2.411 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.743 -0.706 -3.258 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.442 1.738 -3.167 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.617 1.264 -4.417 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.185 1.937 -2.870 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.182 0.385 -1.120 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.915 0.531 -0.745 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.166 -1.078 -0.876 1.00 0.00 H new ATOM 257 N LYS A 22 -6.626 -3.242 -4.107 1.00 0.00 N ATOM 258 CA LYS A 22 -7.938 -3.741 -4.501 1.00 0.00 C ATOM 259 C LYS A 22 -8.167 -5.151 -3.966 1.00 0.00 C ATOM 260 O LYS A 22 -9.178 -5.421 -3.319 1.00 0.00 O ATOM 261 CB LYS A 22 -8.071 -3.735 -6.026 1.00 0.00 C ATOM 262 CG LYS A 22 -9.504 -3.872 -6.512 1.00 0.00 C ATOM 263 CD LYS A 22 -9.602 -3.695 -8.018 1.00 0.00 C ATOM 264 CE LYS A 22 -9.392 -5.012 -8.748 1.00 0.00 C ATOM 265 NZ LYS A 22 -9.831 -4.934 -10.169 1.00 0.00 N ATOM 0 H LYS A 22 -5.897 -3.372 -4.809 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.694 -3.082 -4.073 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.651 -2.807 -6.415 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.477 -4.551 -6.437 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -9.891 -4.852 -6.234 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -10.130 -3.130 -6.016 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.580 -3.287 -8.275 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -8.858 -2.971 -8.350 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -8.338 -5.285 -8.708 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -9.946 -5.801 -8.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -9.672 -5.851 -10.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -10.843 -4.698 -10.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -9.285 -4.198 -10.661 1.00 0.00 H new ATOM 279 N GLU A 23 -7.221 -6.044 -4.239 1.00 0.00 N ATOM 280 CA GLU A 23 -7.321 -7.425 -3.783 1.00 0.00 C ATOM 281 C GLU A 23 -5.946 -8.086 -3.741 1.00 0.00 C ATOM 282 O GLU A 23 -5.114 -7.868 -4.622 1.00 0.00 O ATOM 283 CB GLU A 23 -8.253 -8.222 -4.698 1.00 0.00 C ATOM 284 CG GLU A 23 -7.674 -8.483 -6.079 1.00 0.00 C ATOM 285 CD GLU A 23 -8.659 -9.170 -7.004 1.00 0.00 C ATOM 286 OE1 GLU A 23 -9.667 -8.534 -7.377 1.00 0.00 O ATOM 287 OE2 GLU A 23 -8.421 -10.345 -7.355 1.00 0.00 O ATOM 0 H GLU A 23 -6.377 -5.836 -4.773 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.733 -7.417 -2.774 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -8.485 -9.176 -4.224 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.194 -7.682 -4.804 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.363 -7.537 -6.523 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -6.780 -9.100 -5.984 1.00 0.00 H new ATOM 294 N ALA A 24 -5.714 -8.892 -2.711 1.00 0.00 N ATOM 295 CA ALA A 24 -4.441 -9.585 -2.554 1.00 0.00 C ATOM 296 C ALA A 24 -4.655 -11.068 -2.268 1.00 0.00 C ATOM 297 O ALA A 24 -5.790 -11.537 -2.187 1.00 0.00 O ATOM 298 CB ALA A 24 -3.625 -8.944 -1.442 1.00 0.00 C ATOM 0 H ALA A 24 -6.391 -9.082 -1.972 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.890 -9.498 -3.491 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.677 -9.472 -1.336 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.433 -7.899 -1.687 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.179 -9.001 -0.505 1.00 0.00 H new ATOM 304 N PHE A 25 -3.557 -11.801 -2.117 1.00 0.00 N ATOM 305 CA PHE A 25 -3.625 -13.231 -1.843 1.00 0.00 C ATOM 306 C PHE A 25 -2.580 -13.636 -0.806 1.00 0.00 C ATOM 307 O PHE A 25 -1.735 -12.831 -0.411 1.00 0.00 O ATOM 308 CB PHE A 25 -3.417 -14.030 -3.131 1.00 0.00 C ATOM 309 CG PHE A 25 -4.694 -14.327 -3.864 1.00 0.00 C ATOM 310 CD1 PHE A 25 -5.325 -13.344 -4.610 1.00 0.00 C ATOM 311 CD2 PHE A 25 -5.264 -15.589 -3.808 1.00 0.00 C ATOM 312 CE1 PHE A 25 -6.500 -13.615 -5.285 1.00 0.00 C ATOM 313 CE2 PHE A 25 -6.439 -15.865 -4.481 1.00 0.00 C ATOM 314 CZ PHE A 25 -7.057 -14.877 -5.221 1.00 0.00 C ATOM 0 H PHE A 25 -2.610 -11.428 -2.180 1.00 0.00 H new ATOM 0 HA PHE A 25 -4.614 -13.452 -1.443 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -2.750 -13.475 -3.790 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -2.919 -14.969 -2.890 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -4.894 -12.355 -4.664 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -4.784 -16.366 -3.232 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -6.982 -12.840 -5.862 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -6.873 -16.852 -4.428 1.00 0.00 H new ATOM 0 HZ PHE A 25 -7.975 -15.091 -5.749 1.00 0.00 H new ATOM 324 N THR A 26 -2.644 -14.890 -0.369 1.00 0.00 N ATOM 325 CA THR A 26 -1.706 -15.402 0.622 1.00 0.00 C ATOM 326 C THR A 26 -0.413 -15.871 -0.035 1.00 0.00 C ATOM 327 O THR A 26 -0.437 -16.624 -1.007 1.00 0.00 O ATOM 328 CB THR A 26 -2.315 -16.570 1.421 1.00 0.00 C ATOM 329 OG1 THR A 26 -2.818 -17.567 0.524 1.00 0.00 O ATOM 330 CG2 THR A 26 -3.437 -16.081 2.324 1.00 0.00 C ATOM 0 H THR A 26 -3.336 -15.569 -0.686 1.00 0.00 H new ATOM 0 HA THR A 26 -1.487 -14.580 1.303 1.00 0.00 H new ATOM 0 HB THR A 26 -1.532 -17.003 2.043 1.00 0.00 H new ATOM 0 HG1 THR A 26 -2.334 -17.516 -0.326 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.851 -16.923 2.878 1.00 0.00 H new ATOM 0 HG22 THR A 26 -3.045 -15.344 3.024 1.00 0.00 H new ATOM 0 HG23 THR A 26 -4.220 -15.625 1.718 1.00 0.00 H new ATOM 338 N ASN A 27 0.716 -15.420 0.503 1.00 0.00 N ATOM 339 CA ASN A 27 2.020 -15.794 -0.032 1.00 0.00 C ATOM 340 C ASN A 27 2.134 -15.411 -1.504 1.00 0.00 C ATOM 341 O ASN A 27 2.778 -16.106 -2.290 1.00 0.00 O ATOM 342 CB ASN A 27 2.251 -17.297 0.135 1.00 0.00 C ATOM 343 CG ASN A 27 2.301 -17.716 1.592 1.00 0.00 C ATOM 344 OD1 ASN A 27 1.228 -17.439 2.324 1.00 0.00 O flip ATOM 345 ND2 ASN A 27 3.292 -18.282 2.053 1.00 0.00 N flip ATOM 0 H ASN A 27 0.754 -14.795 1.309 1.00 0.00 H new ATOM 0 HA ASN A 27 2.783 -15.252 0.526 1.00 0.00 H new ATOM 0 HB2 ASN A 27 1.454 -17.843 -0.370 1.00 0.00 H new ATOM 0 HB3 ASN A 27 3.186 -17.575 -0.352 1.00 0.00 H new ATOM 0 HD21 ASN A 27 4.094 -18.475 1.453 1.00 0.00 H new ATOM 0 HD22 ASN A 27 3.311 -18.558 3.035 1.00 0.00 H new ATOM 352 N LYS A 28 1.504 -14.300 -1.871 1.00 0.00 N ATOM 353 CA LYS A 28 1.536 -13.822 -3.249 1.00 0.00 C ATOM 354 C LYS A 28 2.029 -12.380 -3.313 1.00 0.00 C ATOM 355 O LYS A 28 1.804 -11.580 -2.404 1.00 0.00 O ATOM 356 CB LYS A 28 0.144 -13.924 -3.878 1.00 0.00 C ATOM 357 CG LYS A 28 -0.247 -15.341 -4.261 1.00 0.00 C ATOM 358 CD LYS A 28 -1.278 -15.352 -5.377 1.00 0.00 C ATOM 359 CE LYS A 28 -0.616 -15.373 -6.747 1.00 0.00 C ATOM 360 NZ LYS A 28 -0.345 -13.999 -7.253 1.00 0.00 N ATOM 0 H LYS A 28 0.965 -13.714 -1.234 1.00 0.00 H new ATOM 0 HA LYS A 28 2.229 -14.450 -3.809 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.592 -13.530 -3.177 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.109 -13.293 -4.766 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.639 -15.891 -4.578 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.648 -15.857 -3.389 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.923 -16.224 -5.270 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.916 -14.472 -5.293 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.319 -15.930 -6.690 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.258 -15.900 -7.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.738 -13.898 -8.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.789 -13.302 -6.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.682 -13.836 -7.282 1.00 0.00 H new ATOM 374 N PRO A 29 2.717 -12.037 -4.412 1.00 0.00 N ATOM 375 CA PRO A 29 3.254 -10.689 -4.621 1.00 0.00 C ATOM 376 C PRO A 29 2.157 -9.660 -4.868 1.00 0.00 C ATOM 377 O PRO A 29 1.444 -9.726 -5.869 1.00 0.00 O ATOM 378 CB PRO A 29 4.130 -10.846 -5.867 1.00 0.00 C ATOM 379 CG PRO A 29 3.550 -12.010 -6.594 1.00 0.00 C ATOM 380 CD PRO A 29 3.023 -12.939 -5.535 1.00 0.00 C ATOM 0 HA PRO A 29 3.793 -10.325 -3.747 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.110 -9.946 -6.481 1.00 0.00 H new ATOM 0 HB3 PRO A 29 5.171 -11.026 -5.599 1.00 0.00 H new ATOM 0 HG2 PRO A 29 2.753 -11.692 -7.266 1.00 0.00 H new ATOM 0 HG3 PRO A 29 4.305 -12.504 -7.206 1.00 0.00 H new ATOM 0 HD2 PRO A 29 2.136 -13.473 -5.875 1.00 0.00 H new ATOM 0 HD3 PRO A 29 3.761 -13.691 -5.257 1.00 0.00 H new ATOM 388 N ASN A 30 2.027 -8.708 -3.949 1.00 0.00 N ATOM 389 CA ASN A 30 1.016 -7.664 -4.068 1.00 0.00 C ATOM 390 C ASN A 30 1.658 -6.280 -4.046 1.00 0.00 C ATOM 391 O ASN A 30 2.295 -5.895 -3.066 1.00 0.00 O ATOM 392 CB ASN A 30 -0.005 -7.783 -2.934 1.00 0.00 C ATOM 393 CG ASN A 30 -0.284 -9.225 -2.556 1.00 0.00 C ATOM 394 OD1 ASN A 30 0.200 -9.634 -1.388 1.00 0.00 O flip ATOM 395 ND2 ASN A 30 -0.926 -9.962 -3.304 1.00 0.00 N flip ATOM 0 H ASN A 30 2.609 -8.638 -3.114 1.00 0.00 H new ATOM 0 HA ASN A 30 0.506 -7.793 -5.023 1.00 0.00 H new ATOM 0 HB2 ASN A 30 0.363 -7.246 -2.060 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -0.936 -7.303 -3.235 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -1.279 -9.605 -4.192 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -1.105 -10.930 -3.036 1.00 0.00 H new ATOM 402 N VAL A 31 1.484 -5.536 -5.134 1.00 0.00 N ATOM 403 CA VAL A 31 2.044 -4.194 -5.240 1.00 0.00 C ATOM 404 C VAL A 31 0.987 -3.191 -5.685 1.00 0.00 C ATOM 405 O VAL A 31 -0.121 -3.568 -6.069 1.00 0.00 O ATOM 406 CB VAL A 31 3.223 -4.155 -6.231 1.00 0.00 C ATOM 407 CG1 VAL A 31 4.112 -5.377 -6.053 1.00 0.00 C ATOM 408 CG2 VAL A 31 2.713 -4.060 -7.661 1.00 0.00 C ATOM 0 H VAL A 31 0.960 -5.840 -5.954 1.00 0.00 H new ATOM 0 HA VAL A 31 2.404 -3.922 -4.248 1.00 0.00 H new ATOM 0 HB VAL A 31 3.821 -3.268 -6.023 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.939 -5.332 -6.762 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.505 -5.396 -5.037 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.529 -6.280 -6.233 1.00 0.00 H new ATOM 0 HG21 VAL A 31 3.559 -4.033 -8.348 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.092 -4.927 -7.884 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.123 -3.151 -7.777 1.00 0.00 H new ATOM 418 N PHE A 32 1.335 -1.910 -5.632 1.00 0.00 N ATOM 419 CA PHE A 32 0.415 -0.850 -6.029 1.00 0.00 C ATOM 420 C PHE A 32 1.178 0.367 -6.546 1.00 0.00 C ATOM 421 O PHE A 32 2.338 0.582 -6.195 1.00 0.00 O ATOM 422 CB PHE A 32 -0.472 -0.447 -4.850 1.00 0.00 C ATOM 423 CG PHE A 32 0.261 -0.393 -3.540 1.00 0.00 C ATOM 424 CD1 PHE A 32 0.898 0.769 -3.135 1.00 0.00 C ATOM 425 CD2 PHE A 32 0.313 -1.504 -2.713 1.00 0.00 C ATOM 426 CE1 PHE A 32 1.573 0.823 -1.930 1.00 0.00 C ATOM 427 CE2 PHE A 32 0.986 -1.456 -1.507 1.00 0.00 C ATOM 428 CZ PHE A 32 1.617 -0.292 -1.115 1.00 0.00 C ATOM 0 H PHE A 32 2.248 -1.580 -5.318 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.214 -1.231 -6.833 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -0.910 0.530 -5.053 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -1.296 -1.155 -4.767 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.867 1.643 -3.769 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.178 -2.417 -3.014 1.00 0.00 H new ATOM 0 HE1 PHE A 32 2.065 1.735 -1.626 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.018 -2.329 -0.871 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.144 -0.253 -0.173 1.00 0.00 H new ATOM 438 N THR A 33 0.517 1.161 -7.383 1.00 0.00 N ATOM 439 CA THR A 33 1.131 2.355 -7.949 1.00 0.00 C ATOM 440 C THR A 33 0.865 3.576 -7.078 1.00 0.00 C ATOM 441 O THR A 33 -0.275 3.846 -6.700 1.00 0.00 O ATOM 442 CB THR A 33 0.612 2.631 -9.373 1.00 0.00 C ATOM 443 OG1 THR A 33 0.713 1.446 -10.170 1.00 0.00 O ATOM 444 CG2 THR A 33 1.400 3.757 -10.027 1.00 0.00 C ATOM 0 H THR A 33 -0.444 0.998 -7.684 1.00 0.00 H new ATOM 0 HA THR A 33 2.204 2.169 -7.990 1.00 0.00 H new ATOM 0 HB THR A 33 -0.433 2.933 -9.303 1.00 0.00 H new ATOM 0 HG1 THR A 33 0.379 1.630 -11.073 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.016 3.934 -11.032 1.00 0.00 H new ATOM 0 HG22 THR A 33 1.297 4.666 -9.434 1.00 0.00 H new ATOM 0 HG23 THR A 33 2.452 3.479 -10.085 1.00 0.00 H new ATOM 452 N VAL A 34 1.925 4.314 -6.761 1.00 0.00 N ATOM 453 CA VAL A 34 1.806 5.509 -5.935 1.00 0.00 C ATOM 454 C VAL A 34 2.391 6.727 -6.642 1.00 0.00 C ATOM 455 O VAL A 34 3.604 6.829 -6.823 1.00 0.00 O ATOM 456 CB VAL A 34 2.514 5.327 -4.579 1.00 0.00 C ATOM 457 CG1 VAL A 34 2.360 6.576 -3.724 1.00 0.00 C ATOM 458 CG2 VAL A 34 1.970 4.104 -3.855 1.00 0.00 C ATOM 0 H VAL A 34 2.876 4.104 -7.064 1.00 0.00 H new ATOM 0 HA VAL A 34 0.742 5.669 -5.762 1.00 0.00 H new ATOM 0 HB VAL A 34 3.577 5.170 -4.761 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.866 6.429 -2.770 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.801 7.428 -4.241 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.302 6.768 -3.547 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.481 3.990 -2.899 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.901 4.229 -3.683 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.138 3.216 -4.464 1.00 0.00 H new ATOM 468 N VAL A 35 1.519 7.649 -7.039 1.00 0.00 N ATOM 469 CA VAL A 35 1.949 8.861 -7.725 1.00 0.00 C ATOM 470 C VAL A 35 1.936 10.060 -6.782 1.00 0.00 C ATOM 471 O VAL A 35 0.876 10.511 -6.348 1.00 0.00 O ATOM 472 CB VAL A 35 1.052 9.167 -8.939 1.00 0.00 C ATOM 473 CG1 VAL A 35 1.305 10.578 -9.448 1.00 0.00 C ATOM 474 CG2 VAL A 35 1.282 8.144 -10.041 1.00 0.00 C ATOM 0 H VAL A 35 0.511 7.579 -6.897 1.00 0.00 H new ATOM 0 HA VAL A 35 2.968 8.685 -8.071 1.00 0.00 H new ATOM 0 HB VAL A 35 0.010 9.102 -8.625 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.662 10.776 -10.306 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.086 11.295 -8.657 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.349 10.675 -9.747 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.640 8.375 -10.891 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.325 8.175 -10.355 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.045 7.148 -9.668 1.00 0.00 H new ATOM 484 N THR A 36 3.122 10.573 -6.470 1.00 0.00 N ATOM 485 CA THR A 36 3.247 11.719 -5.578 1.00 0.00 C ATOM 486 C THR A 36 3.964 12.875 -6.267 1.00 0.00 C ATOM 487 O THR A 36 4.917 13.437 -5.727 1.00 0.00 O ATOM 488 CB THR A 36 4.010 11.350 -4.292 1.00 0.00 C ATOM 489 OG1 THR A 36 5.316 10.862 -4.620 1.00 0.00 O ATOM 490 CG2 THR A 36 3.254 10.295 -3.499 1.00 0.00 C ATOM 0 H THR A 36 4.009 10.213 -6.822 1.00 0.00 H new ATOM 0 HA THR A 36 2.235 12.027 -5.315 1.00 0.00 H new ATOM 0 HB THR A 36 4.101 12.247 -3.680 1.00 0.00 H new ATOM 0 HG1 THR A 36 5.839 11.580 -5.034 1.00 0.00 H new ATOM 0 HG21 THR A 36 3.812 10.050 -2.595 1.00 0.00 H new ATOM 0 HG22 THR A 36 2.271 10.680 -3.226 1.00 0.00 H new ATOM 0 HG23 THR A 36 3.136 9.398 -4.107 1.00 0.00 H new ATOM 579 N LEU A 44 7.797 8.823 2.736 1.00 0.00 N ATOM 580 CA LEU A 44 6.586 8.016 2.633 1.00 0.00 C ATOM 581 C LEU A 44 6.744 6.699 3.385 1.00 0.00 C ATOM 582 O LEU A 44 7.617 5.892 3.068 1.00 0.00 O ATOM 583 CB LEU A 44 6.255 7.742 1.165 1.00 0.00 C ATOM 584 CG LEU A 44 4.980 6.939 0.903 1.00 0.00 C ATOM 585 CD1 LEU A 44 3.764 7.852 0.905 1.00 0.00 C ATOM 586 CD2 LEU A 44 5.084 6.190 -0.417 1.00 0.00 C ATOM 0 HA LEU A 44 5.767 8.575 3.085 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.171 8.698 0.648 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.094 7.210 0.717 1.00 0.00 H new ATOM 0 HG LEU A 44 4.862 6.209 1.704 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.866 7.263 0.717 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.679 8.343 1.874 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.873 8.605 0.125 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.168 5.624 -0.587 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.227 6.903 -1.229 1.00 0.00 H new ATOM 0 HD23 LEU A 44 5.932 5.506 -0.381 1.00 0.00 H new ATOM 598 N GLY A 45 5.891 6.486 4.383 1.00 0.00 N ATOM 599 CA GLY A 45 5.951 5.264 5.163 1.00 0.00 C ATOM 600 C GLY A 45 4.775 4.346 4.895 1.00 0.00 C ATOM 601 O GLY A 45 3.639 4.664 5.247 1.00 0.00 O ATOM 0 H GLY A 45 5.159 7.138 4.665 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.878 4.737 4.936 1.00 0.00 H new ATOM 0 HA3 GLY A 45 5.978 5.515 6.223 1.00 0.00 H new ATOM 605 N ILE A 46 5.047 3.207 4.268 1.00 0.00 N ATOM 606 CA ILE A 46 4.001 2.241 3.952 1.00 0.00 C ATOM 607 C ILE A 46 4.147 0.978 4.794 1.00 0.00 C ATOM 608 O ILE A 46 5.222 0.379 4.855 1.00 0.00 O ATOM 609 CB ILE A 46 4.022 1.856 2.461 1.00 0.00 C ATOM 610 CG1 ILE A 46 3.898 3.106 1.587 1.00 0.00 C ATOM 611 CG2 ILE A 46 2.903 0.873 2.152 1.00 0.00 C ATOM 612 CD1 ILE A 46 4.188 2.852 0.124 1.00 0.00 C ATOM 0 H ILE A 46 5.982 2.930 3.969 1.00 0.00 H new ATOM 0 HA ILE A 46 3.049 2.720 4.182 1.00 0.00 H new ATOM 0 HB ILE A 46 4.974 1.374 2.239 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.890 3.509 1.685 1.00 0.00 H new ATOM 0 HG13 ILE A 46 4.583 3.868 1.958 1.00 0.00 H new ATOM 0 HG21 ILE A 46 2.931 0.611 1.094 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.033 -0.027 2.753 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.942 1.330 2.387 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.081 3.782 -0.435 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.206 2.478 0.014 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.486 2.113 -0.263 1.00 0.00 H new ATOM 624 N THR A 47 3.058 0.576 5.442 1.00 0.00 N ATOM 625 CA THR A 47 3.064 -0.617 6.280 1.00 0.00 C ATOM 626 C THR A 47 1.780 -1.419 6.103 1.00 0.00 C ATOM 627 O THR A 47 0.755 -0.884 5.681 1.00 0.00 O ATOM 628 CB THR A 47 3.231 -0.256 7.768 1.00 0.00 C ATOM 629 OG1 THR A 47 2.404 0.866 8.096 1.00 0.00 O ATOM 630 CG2 THR A 47 4.683 0.066 8.087 1.00 0.00 C ATOM 0 H THR A 47 2.161 1.059 5.403 1.00 0.00 H new ATOM 0 HA THR A 47 3.913 -1.223 5.963 1.00 0.00 H new ATOM 0 HB THR A 47 2.927 -1.116 8.364 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.515 1.088 9.044 1.00 0.00 H new ATOM 0 HG21 THR A 47 4.776 0.318 9.143 1.00 0.00 H new ATOM 0 HG22 THR A 47 5.305 -0.801 7.864 1.00 0.00 H new ATOM 0 HG23 THR A 47 5.009 0.912 7.482 1.00 0.00 H new ATOM 638 N VAL A 48 1.841 -2.706 6.431 1.00 0.00 N ATOM 639 CA VAL A 48 0.682 -3.581 6.311 1.00 0.00 C ATOM 640 C VAL A 48 0.409 -4.315 7.619 1.00 0.00 C ATOM 641 O VAL A 48 1.328 -4.830 8.256 1.00 0.00 O ATOM 642 CB VAL A 48 0.874 -4.615 5.185 1.00 0.00 C ATOM 643 CG1 VAL A 48 -0.234 -5.657 5.222 1.00 0.00 C ATOM 644 CG2 VAL A 48 0.924 -3.925 3.831 1.00 0.00 C ATOM 0 H VAL A 48 2.681 -3.165 6.782 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.170 -2.946 6.070 1.00 0.00 H new ATOM 0 HB VAL A 48 1.824 -5.125 5.342 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.082 -6.379 4.420 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.216 -6.173 6.182 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.199 -5.167 5.091 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.060 -4.670 3.048 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -0.009 -3.387 3.662 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.757 -3.222 3.811 1.00 0.00 H new ATOM 654 N GLU A 49 -0.859 -4.359 8.013 1.00 0.00 N ATOM 655 CA GLU A 49 -1.252 -5.030 9.247 1.00 0.00 C ATOM 656 C GLU A 49 -2.281 -6.122 8.968 1.00 0.00 C ATOM 657 O GLU A 49 -3.081 -6.014 8.040 1.00 0.00 O ATOM 658 CB GLU A 49 -1.822 -4.019 10.244 1.00 0.00 C ATOM 659 CG GLU A 49 -0.767 -3.370 11.123 1.00 0.00 C ATOM 660 CD GLU A 49 -0.497 -4.158 12.390 1.00 0.00 C ATOM 661 OE1 GLU A 49 -1.279 -4.019 13.354 1.00 0.00 O ATOM 662 OE2 GLU A 49 0.497 -4.914 12.418 1.00 0.00 O ATOM 0 H GLU A 49 -1.632 -3.939 7.497 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.364 -5.493 9.678 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.354 -3.242 9.696 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.553 -4.520 10.878 1.00 0.00 H new ATOM 0 HG2 GLU A 49 0.160 -3.270 10.558 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.090 -2.363 11.388 1.00 0.00 H new ATOM 669 N GLY A 50 -2.254 -7.174 9.780 1.00 0.00 N ATOM 670 CA GLY A 50 -3.188 -8.271 9.605 1.00 0.00 C ATOM 671 C GLY A 50 -2.942 -9.403 10.583 1.00 0.00 C ATOM 672 O GLY A 50 -2.221 -9.255 11.569 1.00 0.00 O ATOM 0 H GLY A 50 -1.602 -7.286 10.556 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -4.206 -7.901 9.730 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -3.110 -8.651 8.587 1.00 0.00 H new ATOM 676 N PRO A 51 -3.553 -10.566 10.312 1.00 0.00 N ATOM 677 CA PRO A 51 -3.413 -11.751 11.165 1.00 0.00 C ATOM 678 C PRO A 51 -2.015 -12.356 11.092 1.00 0.00 C ATOM 679 O PRO A 51 -1.722 -13.347 11.760 1.00 0.00 O ATOM 680 CB PRO A 51 -4.447 -12.724 10.593 1.00 0.00 C ATOM 681 CG PRO A 51 -4.614 -12.307 9.172 1.00 0.00 C ATOM 682 CD PRO A 51 -4.427 -10.815 9.154 1.00 0.00 C ATOM 0 HA PRO A 51 -3.566 -11.515 12.218 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -4.102 -13.756 10.665 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -5.390 -12.664 11.137 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -3.882 -12.800 8.532 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -5.600 -12.581 8.798 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -3.968 -10.479 8.224 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -5.378 -10.290 9.248 1.00 0.00 H new ATOM 690 N SER A 52 -1.156 -11.752 10.277 1.00 0.00 N ATOM 691 CA SER A 52 0.210 -12.234 10.114 1.00 0.00 C ATOM 692 C SER A 52 1.103 -11.147 9.523 1.00 0.00 C ATOM 693 O SER A 52 0.653 -10.329 8.720 1.00 0.00 O ATOM 694 CB SER A 52 0.234 -13.473 9.217 1.00 0.00 C ATOM 695 OG SER A 52 0.021 -13.124 7.860 1.00 0.00 O ATOM 0 H SER A 52 -1.382 -10.928 9.720 1.00 0.00 H new ATOM 0 HA SER A 52 0.594 -12.500 11.099 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.193 -13.981 9.319 1.00 0.00 H new ATOM 0 HB3 SER A 52 -0.535 -14.175 9.540 1.00 0.00 H new ATOM 0 HG SER A 52 -0.733 -12.501 7.797 1.00 0.00 H new ATOM 701 N GLU A 53 2.370 -11.145 9.926 1.00 0.00 N ATOM 702 CA GLU A 53 3.325 -10.159 9.437 1.00 0.00 C ATOM 703 C GLU A 53 3.614 -10.370 7.954 1.00 0.00 C ATOM 704 O GLU A 53 4.062 -11.441 7.544 1.00 0.00 O ATOM 705 CB GLU A 53 4.627 -10.236 10.238 1.00 0.00 C ATOM 706 CG GLU A 53 4.620 -9.383 11.495 1.00 0.00 C ATOM 707 CD GLU A 53 5.680 -9.806 12.493 1.00 0.00 C ATOM 708 OE1 GLU A 53 5.785 -11.020 12.767 1.00 0.00 O ATOM 709 OE2 GLU A 53 6.404 -8.924 13.001 1.00 0.00 O ATOM 0 H GLU A 53 2.758 -11.815 10.590 1.00 0.00 H new ATOM 0 HA GLU A 53 2.885 -9.170 9.566 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.813 -11.274 10.515 1.00 0.00 H new ATOM 0 HB3 GLU A 53 5.454 -9.923 9.601 1.00 0.00 H new ATOM 0 HG2 GLU A 53 4.779 -8.340 11.222 1.00 0.00 H new ATOM 0 HG3 GLU A 53 3.639 -9.444 11.965 1.00 0.00 H new ATOM 716 N SER A 54 3.354 -9.340 7.154 1.00 0.00 N ATOM 717 CA SER A 54 3.582 -9.414 5.715 1.00 0.00 C ATOM 718 C SER A 54 4.963 -8.874 5.356 1.00 0.00 C ATOM 719 O SER A 54 5.412 -7.868 5.905 1.00 0.00 O ATOM 720 CB SER A 54 2.504 -8.628 4.966 1.00 0.00 C ATOM 721 OG SER A 54 1.208 -9.091 5.304 1.00 0.00 O ATOM 0 H SER A 54 2.986 -8.446 7.478 1.00 0.00 H new ATOM 0 HA SER A 54 3.531 -10.461 5.417 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.589 -7.568 5.206 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.659 -8.725 3.891 1.00 0.00 H new ATOM 0 HG SER A 54 0.773 -8.442 5.895 1.00 0.00 H new ATOM 727 N LYS A 55 5.633 -9.551 4.429 1.00 0.00 N ATOM 728 CA LYS A 55 6.962 -9.141 3.992 1.00 0.00 C ATOM 729 C LYS A 55 6.879 -7.967 3.022 1.00 0.00 C ATOM 730 O LYS A 55 6.671 -8.154 1.823 1.00 0.00 O ATOM 731 CB LYS A 55 7.688 -10.314 3.329 1.00 0.00 C ATOM 732 CG LYS A 55 8.466 -11.179 4.306 1.00 0.00 C ATOM 733 CD LYS A 55 9.088 -12.380 3.614 1.00 0.00 C ATOM 734 CE LYS A 55 10.324 -11.988 2.820 1.00 0.00 C ATOM 735 NZ LYS A 55 11.474 -11.663 3.708 1.00 0.00 N ATOM 0 H LYS A 55 5.277 -10.387 3.966 1.00 0.00 H new ATOM 0 HA LYS A 55 7.524 -8.824 4.871 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.958 -10.935 2.809 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.373 -9.927 2.575 1.00 0.00 H new ATOM 0 HG2 LYS A 55 9.248 -10.584 4.777 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.802 -11.519 5.101 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.355 -13.131 4.357 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.356 -12.837 2.948 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.600 -12.804 2.152 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.095 -11.126 2.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 12.349 -11.633 3.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 11.317 -10.737 4.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 11.560 -12.392 4.445 1.00 0.00 H new ATOM 749 N ILE A 56 7.043 -6.758 3.549 1.00 0.00 N ATOM 750 CA ILE A 56 6.989 -5.554 2.728 1.00 0.00 C ATOM 751 C ILE A 56 8.370 -5.192 2.192 1.00 0.00 C ATOM 752 O ILE A 56 9.386 -5.477 2.824 1.00 0.00 O ATOM 753 CB ILE A 56 6.428 -4.358 3.519 1.00 0.00 C ATOM 754 CG1 ILE A 56 4.917 -4.510 3.711 1.00 0.00 C ATOM 755 CG2 ILE A 56 6.748 -3.054 2.806 1.00 0.00 C ATOM 756 CD1 ILE A 56 4.342 -3.565 4.743 1.00 0.00 C ATOM 0 H ILE A 56 7.214 -6.586 4.540 1.00 0.00 H new ATOM 0 HA ILE A 56 6.323 -5.771 1.893 1.00 0.00 H new ATOM 0 HB ILE A 56 6.900 -4.337 4.501 1.00 0.00 H new ATOM 0 HG12 ILE A 56 4.419 -4.340 2.757 1.00 0.00 H new ATOM 0 HG13 ILE A 56 4.698 -5.536 4.007 1.00 0.00 H new ATOM 0 HG21 ILE A 56 6.345 -2.218 3.378 1.00 0.00 H new ATOM 0 HG22 ILE A 56 7.829 -2.944 2.716 1.00 0.00 H new ATOM 0 HG23 ILE A 56 6.300 -3.063 1.812 1.00 0.00 H new ATOM 0 HD11 ILE A 56 3.268 -3.728 4.827 1.00 0.00 H new ATOM 0 HD12 ILE A 56 4.814 -3.750 5.708 1.00 0.00 H new ATOM 0 HD13 ILE A 56 4.530 -2.535 4.438 1.00 0.00 H new ATOM 768 N ASN A 57 8.398 -4.560 1.023 1.00 0.00 N ATOM 769 CA ASN A 57 9.654 -4.157 0.402 1.00 0.00 C ATOM 770 C ASN A 57 9.464 -2.904 -0.447 1.00 0.00 C ATOM 771 O ASN A 57 8.807 -2.942 -1.489 1.00 0.00 O ATOM 772 CB ASN A 57 10.208 -5.292 -0.461 1.00 0.00 C ATOM 773 CG ASN A 57 10.763 -6.433 0.371 1.00 0.00 C ATOM 774 OD1 ASN A 57 11.713 -6.255 1.133 1.00 0.00 O ATOM 775 ND2 ASN A 57 10.170 -7.612 0.227 1.00 0.00 N ATOM 0 H ASN A 57 7.565 -4.316 0.487 1.00 0.00 H new ATOM 0 HA ASN A 57 10.367 -3.932 1.196 1.00 0.00 H new ATOM 0 HB2 ASN A 57 9.418 -5.670 -1.110 1.00 0.00 H new ATOM 0 HB3 ASN A 57 10.994 -4.902 -1.108 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.499 -8.417 0.760 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.385 -7.713 -0.417 1.00 0.00 H new ATOM 782 N CYS A 58 10.042 -1.796 0.004 1.00 0.00 N ATOM 783 CA CYS A 58 9.936 -0.531 -0.715 1.00 0.00 C ATOM 784 C CYS A 58 10.848 -0.522 -1.937 1.00 0.00 C ATOM 785 O CYS A 58 11.903 -1.157 -1.941 1.00 0.00 O ATOM 786 CB CYS A 58 10.289 0.635 0.210 1.00 0.00 C ATOM 787 SG CYS A 58 12.038 0.718 0.659 1.00 0.00 S ATOM 0 H CYS A 58 10.589 -1.748 0.864 1.00 0.00 H new ATOM 0 HA CYS A 58 8.906 -0.418 -1.053 1.00 0.00 H new ATOM 0 HB2 CYS A 58 10.005 1.569 -0.275 1.00 0.00 H new ATOM 0 HB3 CYS A 58 9.695 0.555 1.120 1.00 0.00 H new ATOM 0 HG CYS A 58 12.737 0.026 -0.190 1.00 0.00 H new ATOM 895 N CYS A 66 6.431 6.025 -6.453 1.00 0.00 N ATOM 896 CA CYS A 66 6.934 5.098 -5.445 1.00 0.00 C ATOM 897 C CYS A 66 6.221 3.753 -5.540 1.00 0.00 C ATOM 898 O CYS A 66 5.006 3.695 -5.728 1.00 0.00 O ATOM 899 CB CYS A 66 6.755 5.686 -4.045 1.00 0.00 C ATOM 900 SG CYS A 66 7.845 4.965 -2.796 1.00 0.00 S ATOM 0 HA CYS A 66 7.996 4.940 -5.631 1.00 0.00 H new ATOM 0 HB2 CYS A 66 6.931 6.761 -4.089 1.00 0.00 H new ATOM 0 HB3 CYS A 66 5.720 5.545 -3.733 1.00 0.00 H new ATOM 0 HG CYS A 66 7.775 5.665 -1.703 1.00 0.00 H new ATOM 906 N SER A 67 6.985 2.673 -5.409 1.00 0.00 N ATOM 907 CA SER A 67 6.428 1.328 -5.485 1.00 0.00 C ATOM 908 C SER A 67 6.609 0.589 -4.163 1.00 0.00 C ATOM 909 O SER A 67 7.638 0.722 -3.501 1.00 0.00 O ATOM 910 CB SER A 67 7.091 0.541 -6.617 1.00 0.00 C ATOM 911 OG SER A 67 6.441 0.780 -7.853 1.00 0.00 O ATOM 0 H SER A 67 7.992 2.704 -5.250 1.00 0.00 H new ATOM 0 HA SER A 67 5.361 1.415 -5.689 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.141 0.823 -6.694 1.00 0.00 H new ATOM 0 HB3 SER A 67 7.064 -0.524 -6.388 1.00 0.00 H new ATOM 0 HG SER A 67 6.885 0.267 -8.560 1.00 0.00 H new ATOM 917 N ALA A 68 5.601 -0.190 -3.784 1.00 0.00 N ATOM 918 CA ALA A 68 5.649 -0.952 -2.542 1.00 0.00 C ATOM 919 C ALA A 68 5.044 -2.339 -2.726 1.00 0.00 C ATOM 920 O ALA A 68 3.910 -2.476 -3.184 1.00 0.00 O ATOM 921 CB ALA A 68 4.925 -0.201 -1.434 1.00 0.00 C ATOM 0 H ALA A 68 4.741 -0.310 -4.319 1.00 0.00 H new ATOM 0 HA ALA A 68 6.695 -1.075 -2.260 1.00 0.00 H new ATOM 0 HB1 ALA A 68 4.969 -0.781 -0.512 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.403 0.766 -1.277 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.884 -0.049 -1.718 1.00 0.00 H new ATOM 927 N GLU A 69 5.809 -3.366 -2.367 1.00 0.00 N ATOM 928 CA GLU A 69 5.348 -4.743 -2.495 1.00 0.00 C ATOM 929 C GLU A 69 5.239 -5.409 -1.126 1.00 0.00 C ATOM 930 O GLU A 69 6.030 -5.133 -0.224 1.00 0.00 O ATOM 931 CB GLU A 69 6.298 -5.542 -3.389 1.00 0.00 C ATOM 932 CG GLU A 69 7.665 -5.777 -2.768 1.00 0.00 C ATOM 933 CD GLU A 69 8.595 -6.550 -3.682 1.00 0.00 C ATOM 934 OE1 GLU A 69 8.146 -7.551 -4.278 1.00 0.00 O ATOM 935 OE2 GLU A 69 9.774 -6.154 -3.801 1.00 0.00 O ATOM 0 H GLU A 69 6.750 -3.270 -1.986 1.00 0.00 H new ATOM 0 HA GLU A 69 4.359 -4.727 -2.952 1.00 0.00 H new ATOM 0 HB2 GLU A 69 5.843 -6.505 -3.620 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.424 -5.014 -4.334 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.118 -4.817 -2.522 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.546 -6.322 -1.832 1.00 0.00 H new ATOM 942 N TYR A 70 4.253 -6.288 -0.979 1.00 0.00 N ATOM 943 CA TYR A 70 4.038 -6.992 0.279 1.00 0.00 C ATOM 944 C TYR A 70 3.519 -8.405 0.031 1.00 0.00 C ATOM 945 O TYR A 70 2.800 -8.652 -0.937 1.00 0.00 O ATOM 946 CB TYR A 70 3.051 -6.220 1.157 1.00 0.00 C ATOM 947 CG TYR A 70 1.639 -6.212 0.617 1.00 0.00 C ATOM 948 CD1 TYR A 70 0.745 -7.225 0.938 1.00 0.00 C ATOM 949 CD2 TYR A 70 1.199 -5.190 -0.215 1.00 0.00 C ATOM 950 CE1 TYR A 70 -0.546 -7.222 0.446 1.00 0.00 C ATOM 951 CE2 TYR A 70 -0.091 -5.177 -0.711 1.00 0.00 C ATOM 952 CZ TYR A 70 -0.959 -6.196 -0.378 1.00 0.00 C ATOM 953 OH TYR A 70 -2.245 -6.188 -0.869 1.00 0.00 O ATOM 0 H TYR A 70 3.590 -6.529 -1.716 1.00 0.00 H new ATOM 0 HA TYR A 70 4.995 -7.062 0.795 1.00 0.00 H new ATOM 0 HB2 TYR A 70 3.047 -6.657 2.155 1.00 0.00 H new ATOM 0 HB3 TYR A 70 3.397 -5.192 1.261 1.00 0.00 H new ATOM 0 HD1 TYR A 70 1.065 -8.030 1.584 1.00 0.00 H new ATOM 0 HD2 TYR A 70 1.877 -4.392 -0.479 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -1.228 -8.018 0.705 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -0.417 -4.374 -1.355 1.00 0.00 H new ATOM 0 HH TYR A 70 -2.613 -5.282 -0.807 1.00 0.00 H new ATOM 963 N ILE A 71 3.888 -9.327 0.914 1.00 0.00 N ATOM 964 CA ILE A 71 3.459 -10.715 0.792 1.00 0.00 C ATOM 965 C ILE A 71 3.027 -11.276 2.143 1.00 0.00 C ATOM 966 O ILE A 71 3.847 -11.559 3.017 1.00 0.00 O ATOM 967 CB ILE A 71 4.578 -11.601 0.214 1.00 0.00 C ATOM 968 CG1 ILE A 71 4.875 -11.207 -1.234 1.00 0.00 C ATOM 969 CG2 ILE A 71 4.188 -13.069 0.300 1.00 0.00 C ATOM 970 CD1 ILE A 71 6.125 -11.850 -1.792 1.00 0.00 C ATOM 0 H ILE A 71 4.483 -9.138 1.721 1.00 0.00 H new ATOM 0 HA ILE A 71 2.610 -10.725 0.108 1.00 0.00 H new ATOM 0 HB ILE A 71 5.482 -11.450 0.804 1.00 0.00 H new ATOM 0 HG12 ILE A 71 4.025 -11.482 -1.858 1.00 0.00 H new ATOM 0 HG13 ILE A 71 4.976 -10.123 -1.293 1.00 0.00 H new ATOM 0 HG21 ILE A 71 4.989 -13.683 -0.112 1.00 0.00 H new ATOM 0 HG22 ILE A 71 4.022 -13.341 1.342 1.00 0.00 H new ATOM 0 HG23 ILE A 71 3.273 -13.236 -0.268 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.273 -11.525 -2.822 1.00 0.00 H new ATOM 0 HD12 ILE A 71 6.985 -11.554 -1.192 1.00 0.00 H new ATOM 0 HD13 ILE A 71 6.019 -12.935 -1.765 1.00 0.00 H new ATOM 982 N PRO A 72 1.708 -11.444 2.319 1.00 0.00 N ATOM 983 CA PRO A 72 1.137 -11.976 3.560 1.00 0.00 C ATOM 984 C PRO A 72 1.451 -13.456 3.755 1.00 0.00 C ATOM 985 O PRO A 72 1.966 -14.116 2.852 1.00 0.00 O ATOM 986 CB PRO A 72 -0.368 -11.769 3.375 1.00 0.00 C ATOM 987 CG PRO A 72 -0.569 -11.748 1.899 1.00 0.00 C ATOM 988 CD PRO A 72 0.673 -11.129 1.320 1.00 0.00 C ATOM 0 HA PRO A 72 1.544 -11.481 4.441 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -0.938 -12.573 3.841 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -0.699 -10.837 3.833 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -0.720 -12.756 1.511 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -1.454 -11.169 1.634 1.00 0.00 H new ATOM 0 HD2 PRO A 72 0.915 -11.550 0.344 1.00 0.00 H new ATOM 0 HD3 PRO A 72 0.560 -10.053 1.184 1.00 0.00 H new ATOM 996 N PHE A 73 1.137 -13.971 4.939 1.00 0.00 N ATOM 997 CA PHE A 73 1.387 -15.373 5.253 1.00 0.00 C ATOM 998 C PHE A 73 0.093 -16.081 5.645 1.00 0.00 C ATOM 999 O PHE A 73 0.041 -17.309 5.713 1.00 0.00 O ATOM 1000 CB PHE A 73 2.409 -15.490 6.385 1.00 0.00 C ATOM 1001 CG PHE A 73 3.769 -14.969 6.021 1.00 0.00 C ATOM 1002 CD1 PHE A 73 3.937 -13.654 5.619 1.00 0.00 C ATOM 1003 CD2 PHE A 73 4.881 -15.794 6.081 1.00 0.00 C ATOM 1004 CE1 PHE A 73 5.188 -13.171 5.283 1.00 0.00 C ATOM 1005 CE2 PHE A 73 6.134 -15.317 5.747 1.00 0.00 C ATOM 1006 CZ PHE A 73 6.288 -14.004 5.346 1.00 0.00 C ATOM 0 H PHE A 73 0.709 -13.439 5.697 1.00 0.00 H new ATOM 0 HA PHE A 73 1.788 -15.854 4.361 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.041 -14.945 7.254 1.00 0.00 H new ATOM 0 HB3 PHE A 73 2.496 -16.536 6.678 1.00 0.00 H new ATOM 0 HD1 PHE A 73 3.080 -12.998 5.567 1.00 0.00 H new ATOM 0 HD2 PHE A 73 4.767 -16.822 6.392 1.00 0.00 H new ATOM 0 HE1 PHE A 73 5.305 -12.144 4.972 1.00 0.00 H new ATOM 0 HE2 PHE A 73 6.992 -15.970 5.799 1.00 0.00 H new ATOM 0 HZ PHE A 73 7.266 -13.630 5.082 1.00 0.00 H new ATOM 1016 N ALA A 74 -0.949 -15.297 5.902 1.00 0.00 N ATOM 1017 CA ALA A 74 -2.243 -15.848 6.286 1.00 0.00 C ATOM 1018 C ALA A 74 -3.385 -15.023 5.703 1.00 0.00 C ATOM 1019 O ALA A 74 -3.310 -13.798 5.602 1.00 0.00 O ATOM 1020 CB ALA A 74 -2.359 -15.916 7.801 1.00 0.00 C ATOM 0 H ALA A 74 -0.922 -14.279 5.851 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.315 -16.858 5.881 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -3.330 -16.329 8.073 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.569 -16.553 8.198 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.261 -14.914 8.219 1.00 0.00 H new ATOM 1026 N PRO A 75 -4.469 -15.707 5.309 1.00 0.00 N ATOM 1027 CA PRO A 75 -5.648 -15.057 4.728 1.00 0.00 C ATOM 1028 C PRO A 75 -6.420 -14.234 5.754 1.00 0.00 C ATOM 1029 O PRO A 75 -6.547 -14.629 6.913 1.00 0.00 O ATOM 1030 CB PRO A 75 -6.497 -16.234 4.239 1.00 0.00 C ATOM 1031 CG PRO A 75 -6.085 -17.380 5.096 1.00 0.00 C ATOM 1032 CD PRO A 75 -4.628 -17.168 5.400 1.00 0.00 C ATOM 0 HA PRO A 75 -5.379 -14.352 3.942 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -7.562 -16.024 4.343 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -6.315 -16.442 3.185 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -6.674 -17.413 6.013 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -6.242 -18.328 4.582 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -4.366 -17.540 6.391 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -3.989 -17.687 4.686 1.00 0.00 H new ATOM 1040 N GLY A 76 -6.935 -13.088 5.320 1.00 0.00 N ATOM 1041 CA GLY A 76 -7.689 -12.228 6.213 1.00 0.00 C ATOM 1042 C GLY A 76 -7.778 -10.802 5.707 1.00 0.00 C ATOM 1043 O GLY A 76 -7.413 -10.517 4.566 1.00 0.00 O ATOM 0 H GLY A 76 -6.843 -12.740 4.366 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -8.695 -12.630 6.336 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -7.221 -12.232 7.197 1.00 0.00 H new ATOM 1047 N ASP A 77 -8.265 -9.904 6.556 1.00 0.00 N ATOM 1048 CA ASP A 77 -8.401 -8.499 6.188 1.00 0.00 C ATOM 1049 C ASP A 77 -7.199 -7.692 6.668 1.00 0.00 C ATOM 1050 O ASP A 77 -6.947 -7.588 7.868 1.00 0.00 O ATOM 1051 CB ASP A 77 -9.688 -7.919 6.777 1.00 0.00 C ATOM 1052 CG ASP A 77 -9.884 -8.302 8.231 1.00 0.00 C ATOM 1053 OD1 ASP A 77 -9.085 -7.848 9.076 1.00 0.00 O ATOM 1054 OD2 ASP A 77 -10.836 -9.055 8.523 1.00 0.00 O ATOM 0 H ASP A 77 -8.572 -10.123 7.504 1.00 0.00 H new ATOM 0 HA ASP A 77 -8.447 -8.436 5.101 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -9.666 -6.833 6.690 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -10.540 -8.268 6.194 1.00 0.00 H new ATOM 1059 N TYR A 78 -6.459 -7.125 5.722 1.00 0.00 N ATOM 1060 CA TYR A 78 -5.280 -6.330 6.047 1.00 0.00 C ATOM 1061 C TYR A 78 -5.561 -4.841 5.869 1.00 0.00 C ATOM 1062 O TYR A 78 -6.552 -4.455 5.250 1.00 0.00 O ATOM 1063 CB TYR A 78 -4.100 -6.747 5.168 1.00 0.00 C ATOM 1064 CG TYR A 78 -3.484 -8.069 5.567 1.00 0.00 C ATOM 1065 CD1 TYR A 78 -4.135 -9.268 5.306 1.00 0.00 C ATOM 1066 CD2 TYR A 78 -2.252 -8.119 6.207 1.00 0.00 C ATOM 1067 CE1 TYR A 78 -3.577 -10.478 5.670 1.00 0.00 C ATOM 1068 CE2 TYR A 78 -1.685 -9.324 6.573 1.00 0.00 C ATOM 1069 CZ TYR A 78 -2.352 -10.501 6.302 1.00 0.00 C ATOM 1070 OH TYR A 78 -1.791 -11.704 6.667 1.00 0.00 O ATOM 0 H TYR A 78 -6.654 -7.201 4.724 1.00 0.00 H new ATOM 0 HA TYR A 78 -5.028 -6.511 7.092 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -4.434 -6.809 4.132 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -3.335 -5.972 5.210 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -5.094 -9.254 4.810 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -1.728 -7.199 6.422 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -4.097 -11.401 5.461 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -0.725 -9.345 7.068 1.00 0.00 H new ATOM 0 HH TYR A 78 -2.331 -12.439 6.309 1.00 0.00 H new ATOM 1080 N ASP A 79 -4.680 -4.011 6.416 1.00 0.00 N ATOM 1081 CA ASP A 79 -4.830 -2.563 6.317 1.00 0.00 C ATOM 1082 C ASP A 79 -3.515 -1.907 5.911 1.00 0.00 C ATOM 1083 O ASP A 79 -2.559 -1.876 6.686 1.00 0.00 O ATOM 1084 CB ASP A 79 -5.312 -1.987 7.650 1.00 0.00 C ATOM 1085 CG ASP A 79 -6.824 -1.975 7.762 1.00 0.00 C ATOM 1086 OD1 ASP A 79 -7.477 -1.334 6.912 1.00 0.00 O ATOM 1087 OD2 ASP A 79 -7.354 -2.607 8.699 1.00 0.00 O ATOM 0 H ASP A 79 -3.855 -4.315 6.932 1.00 0.00 H new ATOM 0 HA ASP A 79 -5.573 -2.351 5.548 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -4.895 -2.574 8.468 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -4.934 -0.971 7.761 1.00 0.00 H new ATOM 1092 N VAL A 80 -3.472 -1.384 4.690 1.00 0.00 N ATOM 1093 CA VAL A 80 -2.274 -0.728 4.180 1.00 0.00 C ATOM 1094 C VAL A 80 -2.159 0.696 4.712 1.00 0.00 C ATOM 1095 O VAL A 80 -2.867 1.596 4.264 1.00 0.00 O ATOM 1096 CB VAL A 80 -2.266 -0.691 2.640 1.00 0.00 C ATOM 1097 CG1 VAL A 80 -0.975 -0.071 2.128 1.00 0.00 C ATOM 1098 CG2 VAL A 80 -2.457 -2.090 2.074 1.00 0.00 C ATOM 0 H VAL A 80 -4.254 -1.402 4.035 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.422 -1.313 4.526 1.00 0.00 H new ATOM 0 HB VAL A 80 -3.097 -0.071 2.303 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -0.987 -0.053 1.038 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.885 0.947 2.507 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.126 -0.662 2.472 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -2.449 -2.046 0.985 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.648 -2.735 2.417 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.411 -2.493 2.414 1.00 0.00 H new ATOM 1108 N ASN A 81 -1.260 0.893 5.671 1.00 0.00 N ATOM 1109 CA ASN A 81 -1.051 2.208 6.265 1.00 0.00 C ATOM 1110 C ASN A 81 -0.018 3.005 5.474 1.00 0.00 C ATOM 1111 O ASN A 81 1.148 2.618 5.391 1.00 0.00 O ATOM 1112 CB ASN A 81 -0.598 2.068 7.720 1.00 0.00 C ATOM 1113 CG ASN A 81 -1.726 1.636 8.637 1.00 0.00 C ATOM 1114 OD1 ASN A 81 -2.403 2.468 9.241 1.00 0.00 O ATOM 1115 ND2 ASN A 81 -1.933 0.329 8.746 1.00 0.00 N ATOM 0 H ASN A 81 -0.665 0.158 6.053 1.00 0.00 H new ATOM 0 HA ASN A 81 -1.999 2.746 6.237 1.00 0.00 H new ATOM 0 HB2 ASN A 81 0.212 1.341 7.777 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -0.196 3.020 8.066 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -2.678 -0.021 9.349 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -1.347 -0.325 8.227 1.00 0.00 H new ATOM 1122 N ILE A 82 -0.454 4.118 4.895 1.00 0.00 N ATOM 1123 CA ILE A 82 0.433 4.969 4.112 1.00 0.00 C ATOM 1124 C ILE A 82 0.403 6.408 4.619 1.00 0.00 C ATOM 1125 O ILE A 82 -0.630 7.076 4.563 1.00 0.00 O ATOM 1126 CB ILE A 82 0.055 4.955 2.619 1.00 0.00 C ATOM 1127 CG1 ILE A 82 -0.057 3.515 2.113 1.00 0.00 C ATOM 1128 CG2 ILE A 82 1.080 5.730 1.806 1.00 0.00 C ATOM 1129 CD1 ILE A 82 -0.915 3.374 0.875 1.00 0.00 C ATOM 0 H ILE A 82 -1.416 4.452 4.953 1.00 0.00 H new ATOM 0 HA ILE A 82 1.439 4.566 4.227 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.915 5.439 2.500 1.00 0.00 H new ATOM 0 HG12 ILE A 82 0.942 3.135 1.898 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -0.471 2.891 2.905 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.799 5.711 0.753 1.00 0.00 H new ATOM 0 HG22 ILE A 82 1.115 6.762 2.154 1.00 0.00 H new ATOM 0 HG23 ILE A 82 2.062 5.273 1.928 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.949 2.327 0.573 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.925 3.723 1.091 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -0.490 3.970 0.068 1.00 0.00 H new ATOM 1141 N THR A 83 1.543 6.880 5.112 1.00 0.00 N ATOM 1142 CA THR A 83 1.649 8.239 5.628 1.00 0.00 C ATOM 1143 C THR A 83 2.754 9.012 4.918 1.00 0.00 C ATOM 1144 O THR A 83 3.835 8.478 4.666 1.00 0.00 O ATOM 1145 CB THR A 83 1.925 8.245 7.143 1.00 0.00 C ATOM 1146 OG1 THR A 83 3.094 7.470 7.431 1.00 0.00 O ATOM 1147 CG2 THR A 83 0.737 7.685 7.912 1.00 0.00 C ATOM 0 H THR A 83 2.407 6.341 5.165 1.00 0.00 H new ATOM 0 HA THR A 83 0.691 8.724 5.439 1.00 0.00 H new ATOM 0 HB THR A 83 2.087 9.276 7.456 1.00 0.00 H new ATOM 0 HG1 THR A 83 3.264 7.480 8.396 1.00 0.00 H new ATOM 0 HG21 THR A 83 0.955 7.699 8.980 1.00 0.00 H new ATOM 0 HG22 THR A 83 -0.145 8.294 7.714 1.00 0.00 H new ATOM 0 HG23 THR A 83 0.548 6.660 7.594 1.00 0.00 H new ATOM 1155 N TYR A 84 2.478 10.271 4.600 1.00 0.00 N ATOM 1156 CA TYR A 84 3.449 11.118 3.917 1.00 0.00 C ATOM 1157 C TYR A 84 4.024 12.164 4.868 1.00 0.00 C ATOM 1158 O TYR A 84 3.346 13.121 5.239 1.00 0.00 O ATOM 1159 CB TYR A 84 2.801 11.807 2.715 1.00 0.00 C ATOM 1160 CG TYR A 84 3.794 12.251 1.664 1.00 0.00 C ATOM 1161 CD1 TYR A 84 4.725 11.363 1.141 1.00 0.00 C ATOM 1162 CD2 TYR A 84 3.800 13.559 1.196 1.00 0.00 C ATOM 1163 CE1 TYR A 84 5.635 11.765 0.181 1.00 0.00 C ATOM 1164 CE2 TYR A 84 4.705 13.969 0.235 1.00 0.00 C ATOM 1165 CZ TYR A 84 5.620 13.069 -0.269 1.00 0.00 C ATOM 1166 OH TYR A 84 6.523 13.474 -1.224 1.00 0.00 O ATOM 0 H TYR A 84 1.589 10.728 4.804 1.00 0.00 H new ATOM 0 HA TYR A 84 4.264 10.484 3.568 1.00 0.00 H new ATOM 0 HB2 TYR A 84 2.083 11.125 2.259 1.00 0.00 H new ATOM 0 HB3 TYR A 84 2.240 12.675 3.063 1.00 0.00 H new ATOM 0 HD1 TYR A 84 4.738 10.341 1.490 1.00 0.00 H new ATOM 0 HD2 TYR A 84 3.086 14.267 1.589 1.00 0.00 H new ATOM 0 HE1 TYR A 84 6.353 11.062 -0.214 1.00 0.00 H new ATOM 0 HE2 TYR A 84 4.695 14.989 -0.119 1.00 0.00 H new ATOM 0 HH TYR A 84 6.377 14.421 -1.431 1.00 0.00 H new ATOM 1176 N GLY A 85 5.281 11.972 5.258 1.00 0.00 N ATOM 1177 CA GLY A 85 5.927 12.906 6.162 1.00 0.00 C ATOM 1178 C GLY A 85 5.482 12.724 7.599 1.00 0.00 C ATOM 1179 O GLY A 85 6.239 12.227 8.432 1.00 0.00 O ATOM 0 H GLY A 85 5.863 11.187 4.964 1.00 0.00 H new ATOM 0 HA2 GLY A 85 7.008 12.778 6.101 1.00 0.00 H new ATOM 0 HA3 GLY A 85 5.708 13.925 5.844 1.00 0.00 H new ATOM 1183 N GLY A 86 4.250 13.129 7.892 1.00 0.00 N ATOM 1184 CA GLY A 86 3.727 13.001 9.240 1.00 0.00 C ATOM 1185 C GLY A 86 2.212 13.028 9.279 1.00 0.00 C ATOM 1186 O GLY A 86 1.617 13.372 10.300 1.00 0.00 O ATOM 0 H GLY A 86 3.605 13.544 7.220 1.00 0.00 H new ATOM 0 HA2 GLY A 86 4.082 12.068 9.677 1.00 0.00 H new ATOM 0 HA3 GLY A 86 4.118 13.811 9.856 1.00 0.00 H new ATOM 1190 N ALA A 87 1.586 12.665 8.165 1.00 0.00 N ATOM 1191 CA ALA A 87 0.132 12.648 8.076 1.00 0.00 C ATOM 1192 C ALA A 87 -0.359 11.414 7.327 1.00 0.00 C ATOM 1193 O ALA A 87 0.422 10.721 6.674 1.00 0.00 O ATOM 1194 CB ALA A 87 -0.370 13.914 7.398 1.00 0.00 C ATOM 0 H ALA A 87 2.064 12.378 7.311 1.00 0.00 H new ATOM 0 HA ALA A 87 -0.268 12.608 9.089 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -1.458 13.888 7.338 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -0.059 14.784 7.976 1.00 0.00 H new ATOM 0 HB3 ALA A 87 0.047 13.978 6.393 1.00 0.00 H new ATOM 1200 N HIS A 88 -1.656 11.143 7.426 1.00 0.00 N ATOM 1201 CA HIS A 88 -2.251 9.991 6.758 1.00 0.00 C ATOM 1202 C HIS A 88 -2.955 10.414 5.472 1.00 0.00 C ATOM 1203 O HIS A 88 -3.814 11.296 5.485 1.00 0.00 O ATOM 1204 CB HIS A 88 -3.240 9.289 7.688 1.00 0.00 C ATOM 1205 CG HIS A 88 -2.609 8.244 8.555 1.00 0.00 C ATOM 1206 ND1 HIS A 88 -2.590 6.905 8.227 1.00 0.00 N ATOM 1207 CD2 HIS A 88 -1.969 8.348 9.744 1.00 0.00 C ATOM 1208 CE1 HIS A 88 -1.968 6.230 9.177 1.00 0.00 C ATOM 1209 NE2 HIS A 88 -1.581 7.082 10.109 1.00 0.00 N ATOM 0 H HIS A 88 -2.316 11.706 7.963 1.00 0.00 H new ATOM 0 HA HIS A 88 -1.451 9.297 6.502 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -3.721 10.034 8.322 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -4.024 8.827 7.089 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -1.796 9.257 10.301 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -1.804 5.163 9.189 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -1.076 6.839 10.961 1.00 0.00 H new ATOM 1218 N ILE A 89 -2.586 9.779 4.365 1.00 0.00 N ATOM 1219 CA ILE A 89 -3.183 10.089 3.072 1.00 0.00 C ATOM 1220 C ILE A 89 -4.656 9.695 3.038 1.00 0.00 C ATOM 1221 O ILE A 89 -5.092 8.767 3.719 1.00 0.00 O ATOM 1222 CB ILE A 89 -2.445 9.373 1.925 1.00 0.00 C ATOM 1223 CG1 ILE A 89 -2.662 7.861 2.015 1.00 0.00 C ATOM 1224 CG2 ILE A 89 -0.961 9.703 1.962 1.00 0.00 C ATOM 1225 CD1 ILE A 89 -2.519 7.149 0.688 1.00 0.00 C ATOM 0 H ILE A 89 -1.876 9.047 4.337 1.00 0.00 H new ATOM 0 HA ILE A 89 -3.094 11.167 2.934 1.00 0.00 H new ATOM 0 HB ILE A 89 -2.852 9.724 0.977 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -1.947 7.441 2.722 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -3.657 7.668 2.416 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -0.454 9.189 1.145 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -0.825 10.779 1.854 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -0.539 9.377 2.913 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -2.686 6.081 0.828 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -3.252 7.542 -0.016 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -1.515 7.311 0.295 1.00 0.00 H new ATOM 1237 N PRO A 90 -5.442 10.416 2.225 1.00 0.00 N ATOM 1238 CA PRO A 90 -6.878 10.160 2.080 1.00 0.00 C ATOM 1239 C PRO A 90 -7.163 8.849 1.354 1.00 0.00 C ATOM 1240 O PRO A 90 -7.208 8.807 0.125 1.00 0.00 O ATOM 1241 CB PRO A 90 -7.369 11.348 1.250 1.00 0.00 C ATOM 1242 CG PRO A 90 -6.170 11.801 0.490 1.00 0.00 C ATOM 1243 CD PRO A 90 -4.990 11.537 1.384 1.00 0.00 C ATOM 0 HA PRO A 90 -7.374 10.064 3.046 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -8.176 11.055 0.578 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -7.757 12.143 1.887 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -6.076 11.258 -0.451 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -6.242 12.860 0.241 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -4.101 11.275 0.809 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -4.736 12.412 1.983 1.00 0.00 H new ATOM 1251 N GLY A 91 -7.354 7.781 2.123 1.00 0.00 N ATOM 1252 CA GLY A 91 -7.632 6.484 1.534 1.00 0.00 C ATOM 1253 C GLY A 91 -7.118 5.340 2.385 1.00 0.00 C ATOM 1254 O GLY A 91 -7.520 4.191 2.200 1.00 0.00 O ATOM 0 H GLY A 91 -7.321 7.791 3.142 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.707 6.375 1.394 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -7.175 6.432 0.546 1.00 0.00 H new ATOM 1258 N SER A 92 -6.226 5.653 3.319 1.00 0.00 N ATOM 1259 CA SER A 92 -5.652 4.640 4.198 1.00 0.00 C ATOM 1260 C SER A 92 -6.235 4.748 5.603 1.00 0.00 C ATOM 1261 O SER A 92 -6.664 5.813 6.046 1.00 0.00 O ATOM 1262 CB SER A 92 -4.130 4.786 4.252 1.00 0.00 C ATOM 1263 OG SER A 92 -3.624 4.382 5.512 1.00 0.00 O ATOM 0 H SER A 92 -5.885 6.599 3.487 1.00 0.00 H new ATOM 0 HA SER A 92 -5.902 3.659 3.794 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.676 4.185 3.464 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.854 5.823 4.061 1.00 0.00 H new ATOM 0 HG SER A 92 -3.158 5.134 5.934 1.00 0.00 H new ATOM 1269 N PRO A 93 -6.251 3.616 6.324 1.00 0.00 N ATOM 1270 CA PRO A 93 -5.743 2.342 5.808 1.00 0.00 C ATOM 1271 C PRO A 93 -6.628 1.768 4.706 1.00 0.00 C ATOM 1272 O PRO A 93 -7.852 1.893 4.752 1.00 0.00 O ATOM 1273 CB PRO A 93 -5.760 1.429 7.037 1.00 0.00 C ATOM 1274 CG PRO A 93 -6.808 2.008 7.924 1.00 0.00 C ATOM 1275 CD PRO A 93 -6.767 3.494 7.698 1.00 0.00 C ATOM 0 HA PRO A 93 -4.758 2.450 5.354 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -5.997 0.401 6.763 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -4.788 1.412 7.531 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.791 1.603 7.682 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -6.612 1.767 8.969 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -7.755 3.943 7.797 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -6.117 3.992 8.417 1.00 0.00 H new ATOM 1283 N PHE A 94 -6.002 1.140 3.717 1.00 0.00 N ATOM 1284 CA PHE A 94 -6.733 0.547 2.603 1.00 0.00 C ATOM 1285 C PHE A 94 -7.026 -0.927 2.867 1.00 0.00 C ATOM 1286 O PHE A 94 -6.110 -1.741 2.987 1.00 0.00 O ATOM 1287 CB PHE A 94 -5.936 0.696 1.306 1.00 0.00 C ATOM 1288 CG PHE A 94 -5.781 2.121 0.858 1.00 0.00 C ATOM 1289 CD1 PHE A 94 -4.852 2.954 1.462 1.00 0.00 C ATOM 1290 CD2 PHE A 94 -6.562 2.628 -0.168 1.00 0.00 C ATOM 1291 CE1 PHE A 94 -4.708 4.266 1.052 1.00 0.00 C ATOM 1292 CE2 PHE A 94 -6.423 3.939 -0.582 1.00 0.00 C ATOM 1293 CZ PHE A 94 -5.493 4.759 0.028 1.00 0.00 C ATOM 0 H PHE A 94 -4.990 1.028 3.664 1.00 0.00 H new ATOM 0 HA PHE A 94 -7.681 1.075 2.501 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -4.948 0.257 1.444 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -6.430 0.128 0.518 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -4.234 2.574 2.262 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -7.288 1.991 -0.650 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -3.982 4.905 1.532 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -7.040 4.322 -1.381 1.00 0.00 H new ATOM 0 HZ PHE A 94 -5.380 5.783 -0.295 1.00 0.00 H new ATOM 1303 N ARG A 95 -8.308 -1.262 2.957 1.00 0.00 N ATOM 1304 CA ARG A 95 -8.723 -2.637 3.209 1.00 0.00 C ATOM 1305 C ARG A 95 -8.364 -3.537 2.030 1.00 0.00 C ATOM 1306 O ARG A 95 -8.672 -3.224 0.880 1.00 0.00 O ATOM 1307 CB ARG A 95 -10.229 -2.699 3.472 1.00 0.00 C ATOM 1308 CG ARG A 95 -10.758 -4.112 3.652 1.00 0.00 C ATOM 1309 CD ARG A 95 -10.067 -4.823 4.805 1.00 0.00 C ATOM 1310 NE ARG A 95 -10.381 -4.209 6.093 1.00 0.00 N ATOM 1311 CZ ARG A 95 -11.524 -4.404 6.741 1.00 0.00 C ATOM 1312 NH1 ARG A 95 -12.457 -5.192 6.224 1.00 0.00 N ATOM 1313 NH2 ARG A 95 -11.735 -3.811 7.909 1.00 0.00 N ATOM 0 H ARG A 95 -9.078 -0.600 2.859 1.00 0.00 H new ATOM 0 HA ARG A 95 -8.193 -2.994 4.092 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -10.457 -2.118 4.366 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -10.754 -2.227 2.642 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -11.832 -4.079 3.835 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -10.608 -4.678 2.732 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -10.370 -5.870 4.819 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -8.989 -4.805 4.648 1.00 0.00 H new ATOM 0 HE ARG A 95 -9.684 -3.597 6.518 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -12.298 -5.650 5.327 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -13.334 -5.340 6.724 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -11.019 -3.205 8.310 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -12.613 -3.961 8.406 1.00 0.00 H new ATOM 1327 N VAL A 96 -7.712 -4.657 2.325 1.00 0.00 N ATOM 1328 CA VAL A 96 -7.311 -5.604 1.290 1.00 0.00 C ATOM 1329 C VAL A 96 -7.638 -7.036 1.699 1.00 0.00 C ATOM 1330 O VAL A 96 -6.957 -7.642 2.526 1.00 0.00 O ATOM 1331 CB VAL A 96 -5.805 -5.499 0.986 1.00 0.00 C ATOM 1332 CG1 VAL A 96 -5.447 -6.337 -0.232 1.00 0.00 C ATOM 1333 CG2 VAL A 96 -5.403 -4.047 0.782 1.00 0.00 C ATOM 0 H VAL A 96 -7.450 -4.931 3.272 1.00 0.00 H new ATOM 0 HA VAL A 96 -7.873 -5.349 0.392 1.00 0.00 H new ATOM 0 HB VAL A 96 -5.251 -5.888 1.840 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.379 -6.251 -0.432 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -5.697 -7.381 -0.042 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -6.008 -5.981 -1.096 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -4.336 -3.992 0.568 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -5.963 -3.629 -0.054 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -5.622 -3.478 1.686 1.00 0.00 H new ATOM 1343 N PRO A 97 -8.706 -7.591 1.106 1.00 0.00 N ATOM 1344 CA PRO A 97 -9.147 -8.959 1.392 1.00 0.00 C ATOM 1345 C PRO A 97 -8.179 -10.006 0.851 1.00 0.00 C ATOM 1346 O PRO A 97 -8.205 -10.335 -0.335 1.00 0.00 O ATOM 1347 CB PRO A 97 -10.495 -9.055 0.673 1.00 0.00 C ATOM 1348 CG PRO A 97 -10.413 -8.047 -0.421 1.00 0.00 C ATOM 1349 CD PRO A 97 -9.564 -6.926 0.111 1.00 0.00 C ATOM 0 HA PRO A 97 -9.205 -9.153 2.463 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -10.662 -10.057 0.277 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -11.321 -8.838 1.350 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -9.970 -8.480 -1.318 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -11.405 -7.688 -0.696 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -8.976 -6.458 -0.678 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -10.171 -6.142 0.564 1.00 0.00 H new ATOM 1357 N VAL A 98 -7.326 -10.526 1.727 1.00 0.00 N ATOM 1358 CA VAL A 98 -6.350 -11.537 1.337 1.00 0.00 C ATOM 1359 C VAL A 98 -6.982 -12.924 1.297 1.00 0.00 C ATOM 1360 O VAL A 98 -7.399 -13.458 2.325 1.00 0.00 O ATOM 1361 CB VAL A 98 -5.149 -11.559 2.301 1.00 0.00 C ATOM 1362 CG1 VAL A 98 -4.167 -12.651 1.905 1.00 0.00 C ATOM 1363 CG2 VAL A 98 -4.465 -10.200 2.331 1.00 0.00 C ATOM 0 H VAL A 98 -7.291 -10.264 2.712 1.00 0.00 H new ATOM 0 HA VAL A 98 -6.000 -11.272 0.339 1.00 0.00 H new ATOM 0 HB VAL A 98 -5.514 -11.778 3.304 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.325 -12.652 2.597 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -4.666 -13.619 1.940 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.805 -12.466 0.894 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -3.619 -10.234 3.017 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -4.112 -9.948 1.331 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -5.174 -9.443 2.666 1.00 0.00 H new ATOM 1373 N LYS A 99 -7.049 -13.503 0.104 1.00 0.00 N ATOM 1374 CA LYS A 99 -7.628 -14.830 -0.072 1.00 0.00 C ATOM 1375 C LYS A 99 -6.539 -15.896 -0.129 1.00 0.00 C ATOM 1376 O LYS A 99 -5.354 -15.580 -0.240 1.00 0.00 O ATOM 1377 CB LYS A 99 -8.470 -14.877 -1.349 1.00 0.00 C ATOM 1378 CG LYS A 99 -9.558 -13.818 -1.400 1.00 0.00 C ATOM 1379 CD LYS A 99 -10.002 -13.542 -2.827 1.00 0.00 C ATOM 1380 CE LYS A 99 -11.039 -14.553 -3.293 1.00 0.00 C ATOM 1381 NZ LYS A 99 -12.422 -14.135 -2.931 1.00 0.00 N ATOM 0 H LYS A 99 -6.709 -13.074 -0.757 1.00 0.00 H new ATOM 0 HA LYS A 99 -8.268 -15.036 0.786 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -7.814 -14.754 -2.211 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -8.929 -15.862 -1.435 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -10.413 -14.145 -0.809 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -9.192 -12.897 -0.947 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -10.418 -12.536 -2.892 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -9.138 -13.573 -3.491 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -10.967 -14.675 -4.374 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -10.825 -15.525 -2.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -13.099 -14.850 -3.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -12.498 -14.043 -1.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -12.636 -13.220 -3.376 1.00 0.00 H new