USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=18 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 88 HIS : no HD1:sc= -1.12 X(o=-1.7,f=-2.1) USER MOD Set 1.2: A 92 SER OG : rot -90:sc= -0.596 USER MOD Set 2.1: A 52 SER OG : rot -57:sc= 1.31 USER MOD Set 2.2: A 78 TYR OH : rot 12:sc= 2.29 USER MOD Set 3.1: A 36 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 66 CYS SG : rot 170:sc= 0 USER MOD Set 4.1: A 17 GLN : amide:sc= -1.89 K(o=-1.7,f=-8!) USER MOD Set 4.2: A 33 THR OG1 : rot 126:sc= 0.145 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.111 X(o=-0.11,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.111) USER MOD Single : A 26 THR OG1 : rot 37:sc= 0.0637 USER MOD Single : A 27 ASN : amide:sc= -3.09! K(o=-3.1!,f=-0.21) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -2.95 X(o=-2.9,f=-3.4!) USER MOD Single : A 47 THR OG1 : rot 120:sc= -0.767 USER MOD Single : A 54 SER OG : rot 180:sc= -0.065 USER MOD Single : A 55 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0139) USER MOD Single : A 57 ASN : amide:sc= -0.274 X(o=-0.27,f=-0.28) USER MOD Single : A 58 CYS SG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 168:sc= -0.309! USER MOD Single : A 81 ASN : amide:sc= -0.156 X(o=-0.16,f=0) 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+ -167:sc= -0.0279 (180deg=-0.262) USER MOD ----------------------------------------------------------------- ATOM 101 N PRO A 11 -0.056 15.545 2.100 1.00 0.00 N ATOM 102 CA PRO A 11 -0.459 14.139 2.200 1.00 0.00 C ATOM 103 C PRO A 11 -1.771 13.860 1.474 1.00 0.00 C ATOM 104 O PRO A 11 -2.229 12.719 1.418 1.00 0.00 O ATOM 105 CB PRO A 11 -0.625 13.924 3.706 1.00 0.00 C ATOM 106 CG PRO A 11 -0.924 15.277 4.252 1.00 0.00 C ATOM 107 CD PRO A 11 -0.166 16.248 3.389 1.00 0.00 C ATOM 0 HA PRO A 11 0.269 13.472 1.738 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.433 13.224 3.919 1.00 0.00 H new ATOM 0 HB3 PRO A 11 0.281 13.510 4.149 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -1.994 15.482 4.223 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -0.613 15.355 5.294 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -0.697 17.194 3.287 1.00 0.00 H new ATOM 0 HD3 PRO A 11 0.814 16.477 3.807 1.00 0.00 H new ATOM 115 N SER A 12 -2.370 14.909 0.920 1.00 0.00 N ATOM 116 CA SER A 12 -3.632 14.776 0.200 1.00 0.00 C ATOM 117 C SER A 12 -3.389 14.621 -1.298 1.00 0.00 C ATOM 118 O SER A 12 -4.227 14.083 -2.021 1.00 0.00 O ATOM 119 CB SER A 12 -4.522 15.993 0.461 1.00 0.00 C ATOM 120 OG SER A 12 -4.563 16.309 1.841 1.00 0.00 O ATOM 0 H SER A 12 -2.003 15.860 0.956 1.00 0.00 H new ATOM 0 HA SER A 12 -4.137 13.881 0.563 1.00 0.00 H new ATOM 0 HB2 SER A 12 -4.147 16.849 -0.100 1.00 0.00 H new ATOM 0 HB3 SER A 12 -5.531 15.793 0.100 1.00 0.00 H new ATOM 0 HG SER A 12 -5.137 17.091 1.981 1.00 0.00 H new ATOM 126 N ARG A 13 -2.235 15.096 -1.756 1.00 0.00 N ATOM 127 CA ARG A 13 -1.881 15.011 -3.168 1.00 0.00 C ATOM 128 C ARG A 13 -1.438 13.598 -3.534 1.00 0.00 C ATOM 129 O ARG A 13 -1.248 13.279 -4.708 1.00 0.00 O ATOM 130 CB ARG A 13 -0.768 16.007 -3.497 1.00 0.00 C ATOM 131 CG ARG A 13 -1.130 17.450 -3.185 1.00 0.00 C ATOM 132 CD ARG A 13 -1.888 18.095 -4.335 1.00 0.00 C ATOM 133 NE ARG A 13 -2.733 19.197 -3.883 1.00 0.00 N ATOM 134 CZ ARG A 13 -3.826 19.031 -3.147 1.00 0.00 C ATOM 135 NH1 ARG A 13 -4.205 17.815 -2.782 1.00 0.00 N ATOM 136 NH2 ARG A 13 -4.543 20.084 -2.776 1.00 0.00 N ATOM 0 H ARG A 13 -1.530 15.543 -1.170 1.00 0.00 H new ATOM 0 HA ARG A 13 -2.766 15.258 -3.754 1.00 0.00 H new ATOM 0 HB2 ARG A 13 0.127 15.737 -2.937 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -0.519 15.924 -4.555 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -1.738 17.487 -2.281 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -0.222 18.018 -2.982 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -1.178 18.463 -5.076 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -2.505 17.344 -4.829 1.00 0.00 H new ATOM 0 HE ARG A 13 -2.469 20.146 -4.147 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -3.657 17.003 -3.066 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -5.045 17.691 -2.217 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -4.255 21.022 -3.056 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -5.382 19.956 -2.211 1.00 0.00 H new ATOM 150 N VAL A 14 -1.274 12.753 -2.520 1.00 0.00 N ATOM 151 CA VAL A 14 -0.854 11.374 -2.734 1.00 0.00 C ATOM 152 C VAL A 14 -2.014 10.516 -3.229 1.00 0.00 C ATOM 153 O VAL A 14 -3.153 10.686 -2.794 1.00 0.00 O ATOM 154 CB VAL A 14 -0.285 10.753 -1.445 1.00 0.00 C ATOM 155 CG1 VAL A 14 0.367 9.411 -1.740 1.00 0.00 C ATOM 156 CG2 VAL A 14 0.706 11.704 -0.789 1.00 0.00 C ATOM 0 H VAL A 14 -1.426 13.000 -1.542 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.072 11.396 -3.493 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.108 10.584 -0.750 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.763 8.988 -0.817 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.374 8.732 -2.162 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.180 9.550 -2.453 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.099 11.250 0.121 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.527 11.906 -1.477 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.203 12.639 -0.540 1.00 0.00 H new ATOM 166 N GLN A 15 -1.716 9.595 -4.139 1.00 0.00 N ATOM 167 CA GLN A 15 -2.735 8.711 -4.693 1.00 0.00 C ATOM 168 C GLN A 15 -2.232 7.272 -4.754 1.00 0.00 C ATOM 169 O GLN A 15 -1.136 7.008 -5.245 1.00 0.00 O ATOM 170 CB GLN A 15 -3.143 9.181 -6.090 1.00 0.00 C ATOM 171 CG GLN A 15 -3.394 10.677 -6.179 1.00 0.00 C ATOM 172 CD GLN A 15 -3.480 11.170 -7.610 1.00 0.00 C ATOM 173 OE1 GLN A 15 -2.898 12.197 -7.961 1.00 0.00 O ATOM 174 NE2 GLN A 15 -4.208 10.439 -8.446 1.00 0.00 N ATOM 0 H GLN A 15 -0.778 9.441 -4.508 1.00 0.00 H new ATOM 0 HA GLN A 15 -3.605 8.745 -4.038 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -2.360 8.910 -6.799 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -4.046 8.651 -6.393 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -4.322 10.917 -5.660 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -2.593 11.207 -5.664 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -4.673 9.595 -8.113 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -4.302 10.722 -9.422 1.00 0.00 H new ATOM 183 N ALA A 16 -3.042 6.346 -4.250 1.00 0.00 N ATOM 184 CA ALA A 16 -2.680 4.934 -4.249 1.00 0.00 C ATOM 185 C ALA A 16 -3.679 4.111 -5.054 1.00 0.00 C ATOM 186 O ALA A 16 -4.864 4.064 -4.726 1.00 0.00 O ATOM 187 CB ALA A 16 -2.591 4.413 -2.822 1.00 0.00 C ATOM 0 H ALA A 16 -3.953 6.549 -3.837 1.00 0.00 H new ATOM 0 HA ALA A 16 -1.703 4.834 -4.722 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.320 3.357 -2.836 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -1.833 4.975 -2.276 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.556 4.533 -2.330 1.00 0.00 H new ATOM 193 N GLN A 17 -3.193 3.464 -6.109 1.00 0.00 N ATOM 194 CA GLN A 17 -4.046 2.644 -6.961 1.00 0.00 C ATOM 195 C GLN A 17 -3.284 1.431 -7.486 1.00 0.00 C ATOM 196 O GLN A 17 -2.111 1.529 -7.844 1.00 0.00 O ATOM 197 CB GLN A 17 -4.580 3.471 -8.131 1.00 0.00 C ATOM 198 CG GLN A 17 -3.493 3.971 -9.069 1.00 0.00 C ATOM 199 CD GLN A 17 -3.202 2.999 -10.195 1.00 0.00 C ATOM 200 OE1 GLN A 17 -2.094 2.473 -10.305 1.00 0.00 O ATOM 201 NE2 GLN A 17 -4.197 2.754 -11.039 1.00 0.00 N ATOM 0 H GLN A 17 -2.214 3.492 -6.394 1.00 0.00 H new ATOM 0 HA GLN A 17 -4.886 2.292 -6.362 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -5.288 2.867 -8.698 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -5.132 4.326 -7.739 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -3.795 4.930 -9.491 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -2.580 4.146 -8.500 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -5.099 3.212 -10.910 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -4.059 2.108 -11.816 1.00 0.00 H new ATOM 210 N GLY A 18 -3.961 0.287 -7.529 1.00 0.00 N ATOM 211 CA GLY A 18 -3.332 -0.929 -8.011 1.00 0.00 C ATOM 212 C GLY A 18 -3.976 -2.179 -7.445 1.00 0.00 C ATOM 213 O GLY A 18 -4.975 -2.118 -6.727 1.00 0.00 O ATOM 0 H GLY A 18 -4.933 0.181 -7.239 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.388 -0.956 -9.099 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -2.275 -0.917 -7.746 1.00 0.00 H new ATOM 217 N PRO A 19 -3.400 -3.346 -7.770 1.00 0.00 N ATOM 218 CA PRO A 19 -3.909 -4.638 -7.300 1.00 0.00 C ATOM 219 C PRO A 19 -3.693 -4.836 -5.804 1.00 0.00 C ATOM 220 O PRO A 19 -4.563 -5.352 -5.104 1.00 0.00 O ATOM 221 CB PRO A 19 -3.088 -5.653 -8.099 1.00 0.00 C ATOM 222 CG PRO A 19 -1.827 -4.937 -8.441 1.00 0.00 C ATOM 223 CD PRO A 19 -2.208 -3.493 -8.621 1.00 0.00 C ATOM 0 HA PRO A 19 -4.985 -4.731 -7.446 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.887 -6.549 -7.512 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -3.618 -5.972 -8.997 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.087 -5.050 -7.649 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.384 -5.340 -9.351 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -1.406 -2.824 -8.309 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.428 -3.262 -9.663 1.00 0.00 H new ATOM 231 N GLY A 20 -2.526 -4.423 -5.319 1.00 0.00 N ATOM 232 CA GLY A 20 -2.217 -4.564 -3.908 1.00 0.00 C ATOM 233 C GLY A 20 -3.224 -3.859 -3.021 1.00 0.00 C ATOM 234 O GLY A 20 -3.253 -4.074 -1.808 1.00 0.00 O ATOM 0 H GLY A 20 -1.789 -3.993 -5.878 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.188 -5.623 -3.650 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -1.223 -4.161 -3.715 1.00 0.00 H new ATOM 238 N LEU A 21 -4.051 -3.012 -3.624 1.00 0.00 N ATOM 239 CA LEU A 21 -5.064 -2.271 -2.880 1.00 0.00 C ATOM 240 C LEU A 21 -6.459 -2.815 -3.169 1.00 0.00 C ATOM 241 O LEU A 21 -7.339 -2.786 -2.309 1.00 0.00 O ATOM 242 CB LEU A 21 -5.000 -0.785 -3.237 1.00 0.00 C ATOM 243 CG LEU A 21 -3.658 -0.093 -2.993 1.00 0.00 C ATOM 244 CD1 LEU A 21 -3.643 1.284 -3.637 1.00 0.00 C ATOM 245 CD2 LEU A 21 -3.374 0.010 -1.502 1.00 0.00 C ATOM 0 H LEU A 21 -4.040 -2.821 -4.626 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.860 -2.393 -1.816 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.257 -0.674 -4.290 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.766 -0.261 -2.665 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.872 -0.694 -3.451 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.680 1.761 -3.453 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.799 1.185 -4.711 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.438 1.894 -3.209 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.415 0.505 -1.348 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.163 0.588 -1.020 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.340 -0.989 -1.068 1.00 0.00 H new ATOM 257 N LYS A 22 -6.654 -3.314 -4.386 1.00 0.00 N ATOM 258 CA LYS A 22 -7.940 -3.869 -4.788 1.00 0.00 C ATOM 259 C LYS A 22 -8.150 -5.253 -4.182 1.00 0.00 C ATOM 260 O LYS A 22 -9.185 -5.523 -3.574 1.00 0.00 O ATOM 261 CB LYS A 22 -8.028 -3.951 -6.314 1.00 0.00 C ATOM 262 CG LYS A 22 -9.443 -4.144 -6.832 1.00 0.00 C ATOM 263 CD LYS A 22 -9.582 -3.665 -8.267 1.00 0.00 C ATOM 264 CE LYS A 22 -11.016 -3.785 -8.759 1.00 0.00 C ATOM 265 NZ LYS A 22 -11.920 -2.821 -8.073 1.00 0.00 N ATOM 0 H LYS A 22 -5.937 -3.345 -5.111 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.724 -3.208 -4.419 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.614 -3.038 -6.743 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.407 -4.777 -6.662 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -9.713 -5.198 -6.772 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -10.141 -3.600 -6.197 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -9.258 -2.627 -8.338 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -8.925 -4.249 -8.912 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -11.047 -3.610 -9.834 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -11.374 -4.801 -8.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -12.839 -2.801 -8.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -12.057 -3.116 -7.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -11.496 -1.872 -8.095 1.00 0.00 H new ATOM 279 N GLU A 23 -7.160 -6.124 -4.351 1.00 0.00 N ATOM 280 CA GLU A 23 -7.238 -7.480 -3.819 1.00 0.00 C ATOM 281 C GLU A 23 -5.865 -8.147 -3.827 1.00 0.00 C ATOM 282 O GLU A 23 -5.049 -7.900 -4.715 1.00 0.00 O ATOM 283 CB GLU A 23 -8.228 -8.315 -4.632 1.00 0.00 C ATOM 284 CG GLU A 23 -7.709 -8.708 -6.006 1.00 0.00 C ATOM 285 CD GLU A 23 -8.030 -7.674 -7.068 1.00 0.00 C ATOM 286 OE1 GLU A 23 -9.229 -7.404 -7.288 1.00 0.00 O ATOM 287 OE2 GLU A 23 -7.083 -7.136 -7.678 1.00 0.00 O ATOM 0 H GLU A 23 -6.296 -5.916 -4.851 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.587 -7.419 -2.788 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -8.473 -9.218 -4.073 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.154 -7.752 -4.750 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -6.629 -8.849 -5.956 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -8.142 -9.666 -6.294 1.00 0.00 H new ATOM 294 N ALA A 24 -5.619 -8.993 -2.832 1.00 0.00 N ATOM 295 CA ALA A 24 -4.347 -9.696 -2.725 1.00 0.00 C ATOM 296 C ALA A 24 -4.560 -11.168 -2.385 1.00 0.00 C ATOM 297 O ALA A 24 -5.695 -11.642 -2.323 1.00 0.00 O ATOM 298 CB ALA A 24 -3.463 -9.034 -1.678 1.00 0.00 C ATOM 0 H ALA A 24 -6.284 -9.208 -2.089 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.848 -9.641 -3.693 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.516 -9.570 -1.609 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.274 -7.999 -1.963 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.965 -9.058 -0.711 1.00 0.00 H new ATOM 304 N PHE A 25 -3.463 -11.885 -2.167 1.00 0.00 N ATOM 305 CA PHE A 25 -3.531 -13.304 -1.835 1.00 0.00 C ATOM 306 C PHE A 25 -2.449 -13.678 -0.827 1.00 0.00 C ATOM 307 O PHE A 25 -1.545 -12.890 -0.546 1.00 0.00 O ATOM 308 CB PHE A 25 -3.382 -14.152 -3.100 1.00 0.00 C ATOM 309 CG PHE A 25 -4.688 -14.449 -3.780 1.00 0.00 C ATOM 310 CD1 PHE A 25 -5.311 -13.490 -4.562 1.00 0.00 C ATOM 311 CD2 PHE A 25 -5.292 -15.688 -3.638 1.00 0.00 C ATOM 312 CE1 PHE A 25 -6.513 -13.760 -5.188 1.00 0.00 C ATOM 313 CE2 PHE A 25 -6.494 -15.964 -4.262 1.00 0.00 C ATOM 314 CZ PHE A 25 -7.105 -14.999 -5.038 1.00 0.00 C ATOM 0 H PHE A 25 -2.517 -11.508 -2.214 1.00 0.00 H new ATOM 0 HA PHE A 25 -4.504 -13.502 -1.386 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -2.727 -13.634 -3.800 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -2.894 -15.092 -2.842 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -4.852 -12.520 -4.684 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -4.818 -16.447 -3.033 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -6.989 -13.003 -5.794 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -6.955 -16.933 -4.143 1.00 0.00 H new ATOM 0 HZ PHE A 25 -8.044 -15.213 -5.527 1.00 0.00 H new ATOM 324 N THR A 26 -2.547 -14.888 -0.284 1.00 0.00 N ATOM 325 CA THR A 26 -1.579 -15.368 0.694 1.00 0.00 C ATOM 326 C THR A 26 -0.303 -15.851 0.013 1.00 0.00 C ATOM 327 O THR A 26 -0.351 -16.649 -0.921 1.00 0.00 O ATOM 328 CB THR A 26 -2.160 -16.514 1.543 1.00 0.00 C ATOM 329 OG1 THR A 26 -2.609 -17.575 0.692 1.00 0.00 O ATOM 330 CG2 THR A 26 -3.315 -16.021 2.400 1.00 0.00 C ATOM 0 H THR A 26 -3.288 -15.553 -0.506 1.00 0.00 H new ATOM 0 HA THR A 26 -1.344 -14.526 1.346 1.00 0.00 H new ATOM 0 HB THR A 26 -1.373 -16.884 2.201 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.998 -17.665 -0.069 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.709 -16.848 2.991 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.963 -15.234 3.067 1.00 0.00 H new ATOM 0 HG23 THR A 26 -4.102 -15.627 1.758 1.00 0.00 H new ATOM 338 N ASN A 27 0.837 -15.361 0.489 1.00 0.00 N ATOM 339 CA ASN A 27 2.127 -15.744 -0.074 1.00 0.00 C ATOM 340 C ASN A 27 2.223 -15.335 -1.541 1.00 0.00 C ATOM 341 O ASN A 27 2.887 -15.996 -2.340 1.00 0.00 O ATOM 342 CB ASN A 27 2.339 -17.253 0.061 1.00 0.00 C ATOM 343 CG ASN A 27 2.378 -17.704 1.508 1.00 0.00 C ATOM 344 OD1 ASN A 27 3.388 -18.225 1.980 1.00 0.00 O ATOM 345 ND2 ASN A 27 1.275 -17.505 2.220 1.00 0.00 N ATOM 0 H ASN A 27 0.894 -14.699 1.262 1.00 0.00 H new ATOM 0 HA ASN A 27 2.907 -15.224 0.482 1.00 0.00 H new ATOM 0 HB2 ASN A 27 1.537 -17.778 -0.459 1.00 0.00 H new ATOM 0 HB3 ASN A 27 3.272 -17.531 -0.429 1.00 0.00 H new ATOM 0 HD21 ASN A 27 1.242 -17.788 3.199 1.00 0.00 H new ATOM 0 HD22 ASN A 27 0.460 -17.069 1.788 1.00 0.00 H new ATOM 352 N LYS A 28 1.555 -14.240 -1.889 1.00 0.00 N ATOM 353 CA LYS A 28 1.566 -13.740 -3.259 1.00 0.00 C ATOM 354 C LYS A 28 2.038 -12.291 -3.306 1.00 0.00 C ATOM 355 O LYS A 28 1.782 -11.500 -2.398 1.00 0.00 O ATOM 356 CB LYS A 28 0.169 -13.853 -3.875 1.00 0.00 C ATOM 357 CG LYS A 28 -0.192 -15.262 -4.310 1.00 0.00 C ATOM 358 CD LYS A 28 -1.155 -15.253 -5.486 1.00 0.00 C ATOM 359 CE LYS A 28 -1.177 -16.597 -6.198 1.00 0.00 C ATOM 360 NZ LYS A 28 -0.088 -16.708 -7.207 1.00 0.00 N ATOM 0 H LYS A 28 0.999 -13.682 -1.241 1.00 0.00 H new ATOM 0 HA LYS A 28 2.262 -14.349 -3.836 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.567 -13.506 -3.150 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.106 -13.189 -4.737 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.714 -15.802 -4.585 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.642 -15.798 -3.474 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.158 -15.010 -5.135 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.865 -14.472 -6.189 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.076 -17.398 -5.465 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.141 -16.733 -6.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.137 -17.638 -7.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.198 -15.960 -7.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.833 -16.604 -6.736 1.00 0.00 H new ATOM 374 N PRO A 29 2.744 -11.932 -4.389 1.00 0.00 N ATOM 375 CA PRO A 29 3.265 -10.575 -4.580 1.00 0.00 C ATOM 376 C PRO A 29 2.158 -9.561 -4.844 1.00 0.00 C ATOM 377 O PRO A 29 1.428 -9.667 -5.829 1.00 0.00 O ATOM 378 CB PRO A 29 4.168 -10.713 -5.808 1.00 0.00 C ATOM 379 CG PRO A 29 3.621 -11.881 -6.553 1.00 0.00 C ATOM 380 CD PRO A 29 3.086 -12.823 -5.510 1.00 0.00 C ATOM 0 HA PRO A 29 3.781 -10.207 -3.693 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.147 -9.810 -6.418 1.00 0.00 H new ATOM 0 HB3 PRO A 29 5.206 -10.879 -5.519 1.00 0.00 H new ATOM 0 HG2 PRO A 29 2.834 -11.572 -7.240 1.00 0.00 H new ATOM 0 HG3 PRO A 29 4.396 -12.360 -7.151 1.00 0.00 H new ATOM 0 HD2 PRO A 29 2.214 -13.368 -5.870 1.00 0.00 H new ATOM 0 HD3 PRO A 29 3.829 -13.566 -5.220 1.00 0.00 H new ATOM 388 N ASN A 30 2.039 -8.578 -3.958 1.00 0.00 N ATOM 389 CA ASN A 30 1.020 -7.543 -4.096 1.00 0.00 C ATOM 390 C ASN A 30 1.646 -6.153 -4.052 1.00 0.00 C ATOM 391 O ASN A 30 2.177 -5.732 -3.024 1.00 0.00 O ATOM 392 CB ASN A 30 -0.027 -7.679 -2.989 1.00 0.00 C ATOM 393 CG ASN A 30 -0.284 -9.125 -2.610 1.00 0.00 C ATOM 394 OD1 ASN A 30 -1.005 -9.841 -3.303 1.00 0.00 O ATOM 395 ND2 ASN A 30 0.307 -9.559 -1.503 1.00 0.00 N ATOM 0 H ASN A 30 2.635 -8.476 -3.137 1.00 0.00 H new ATOM 0 HA ASN A 30 0.535 -7.672 -5.064 1.00 0.00 H new ATOM 0 HB2 ASN A 30 0.306 -7.129 -2.109 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -0.960 -7.221 -3.317 1.00 0.00 H new ATOM 0 HD21 ASN A 30 0.171 -10.522 -1.196 1.00 0.00 H new ATOM 0 HD22 ASN A 30 0.897 -8.929 -0.959 1.00 0.00 H new ATOM 402 N VAL A 31 1.580 -5.444 -5.175 1.00 0.00 N ATOM 403 CA VAL A 31 2.138 -4.100 -5.264 1.00 0.00 C ATOM 404 C VAL A 31 1.070 -3.086 -5.659 1.00 0.00 C ATOM 405 O VAL A 31 -0.033 -3.456 -6.061 1.00 0.00 O ATOM 406 CB VAL A 31 3.291 -4.039 -6.284 1.00 0.00 C ATOM 407 CG1 VAL A 31 4.300 -5.145 -6.017 1.00 0.00 C ATOM 408 CG2 VAL A 31 2.752 -4.128 -7.703 1.00 0.00 C ATOM 0 H VAL A 31 1.146 -5.778 -6.035 1.00 0.00 H new ATOM 0 HA VAL A 31 2.523 -3.850 -4.275 1.00 0.00 H new ATOM 0 HB VAL A 31 3.801 -3.082 -6.173 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.107 -5.086 -6.748 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.710 -5.029 -5.014 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.808 -6.114 -6.098 1.00 0.00 H new ATOM 0 HG21 VAL A 31 3.580 -4.083 -8.410 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.216 -5.069 -7.830 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.073 -3.296 -7.887 1.00 0.00 H new ATOM 418 N PHE A 32 1.407 -1.806 -5.543 1.00 0.00 N ATOM 419 CA PHE A 32 0.476 -0.737 -5.888 1.00 0.00 C ATOM 420 C PHE A 32 1.226 0.510 -6.348 1.00 0.00 C ATOM 421 O PHE A 32 2.369 0.743 -5.952 1.00 0.00 O ATOM 422 CB PHE A 32 -0.412 -0.398 -4.689 1.00 0.00 C ATOM 423 CG PHE A 32 0.339 -0.318 -3.391 1.00 0.00 C ATOM 424 CD1 PHE A 32 0.633 -1.467 -2.673 1.00 0.00 C ATOM 425 CD2 PHE A 32 0.753 0.905 -2.888 1.00 0.00 C ATOM 426 CE1 PHE A 32 1.323 -1.396 -1.477 1.00 0.00 C ATOM 427 CE2 PHE A 32 1.444 0.982 -1.694 1.00 0.00 C ATOM 428 CZ PHE A 32 1.730 -0.170 -0.988 1.00 0.00 C ATOM 0 H PHE A 32 2.317 -1.483 -5.213 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.151 -1.086 -6.708 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -0.908 0.555 -4.872 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -1.194 -1.152 -4.601 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.319 -2.428 -3.052 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.533 1.809 -3.436 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.544 -2.298 -0.926 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.760 1.942 -1.313 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.271 -0.112 -0.055 1.00 0.00 H new ATOM 438 N THR A 33 0.575 1.309 -7.188 1.00 0.00 N ATOM 439 CA THR A 33 1.180 2.531 -7.704 1.00 0.00 C ATOM 440 C THR A 33 0.905 3.712 -6.780 1.00 0.00 C ATOM 441 O THR A 33 -0.248 4.079 -6.551 1.00 0.00 O ATOM 442 CB THR A 33 0.657 2.863 -9.114 1.00 0.00 C ATOM 443 OG1 THR A 33 0.757 1.711 -9.958 1.00 0.00 O ATOM 444 CG2 THR A 33 1.443 4.014 -9.724 1.00 0.00 C ATOM 0 H THR A 33 -0.371 1.132 -7.525 1.00 0.00 H new ATOM 0 HA THR A 33 2.255 2.356 -7.755 1.00 0.00 H new ATOM 0 HB THR A 33 -0.388 3.161 -9.029 1.00 0.00 H new ATOM 0 HG1 THR A 33 -0.116 1.524 -10.361 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.056 4.231 -10.720 1.00 0.00 H new ATOM 0 HG22 THR A 33 1.341 4.898 -9.094 1.00 0.00 H new ATOM 0 HG23 THR A 33 2.495 3.739 -9.795 1.00 0.00 H new ATOM 452 N VAL A 34 1.971 4.306 -6.254 1.00 0.00 N ATOM 453 CA VAL A 34 1.845 5.448 -5.356 1.00 0.00 C ATOM 454 C VAL A 34 2.370 6.721 -6.010 1.00 0.00 C ATOM 455 O VAL A 34 3.579 6.949 -6.068 1.00 0.00 O ATOM 456 CB VAL A 34 2.603 5.212 -4.036 1.00 0.00 C ATOM 457 CG1 VAL A 34 2.448 6.408 -3.110 1.00 0.00 C ATOM 458 CG2 VAL A 34 2.114 3.938 -3.363 1.00 0.00 C ATOM 0 H VAL A 34 2.932 4.015 -6.434 1.00 0.00 H new ATOM 0 HA VAL A 34 0.783 5.565 -5.140 1.00 0.00 H new ATOM 0 HB VAL A 34 3.663 5.093 -4.261 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.990 6.223 -2.183 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.850 7.298 -3.594 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.392 6.562 -2.888 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.660 3.786 -2.432 1.00 0.00 H new ATOM 0 HG22 VAL A 34 1.049 4.025 -3.149 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.283 3.089 -4.025 1.00 0.00 H new ATOM 468 N VAL A 35 1.454 7.549 -6.501 1.00 0.00 N ATOM 469 CA VAL A 35 1.824 8.801 -7.150 1.00 0.00 C ATOM 470 C VAL A 35 2.060 9.903 -6.124 1.00 0.00 C ATOM 471 O VAL A 35 1.120 10.403 -5.505 1.00 0.00 O ATOM 472 CB VAL A 35 0.738 9.262 -8.141 1.00 0.00 C ATOM 473 CG1 VAL A 35 1.171 10.534 -8.854 1.00 0.00 C ATOM 474 CG2 VAL A 35 0.428 8.159 -9.142 1.00 0.00 C ATOM 0 H VAL A 35 0.450 7.375 -6.462 1.00 0.00 H new ATOM 0 HA VAL A 35 2.748 8.613 -7.696 1.00 0.00 H new ATOM 0 HB VAL A 35 -0.172 9.480 -7.581 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.392 10.844 -9.550 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.338 11.323 -8.121 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.094 10.347 -9.403 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.341 8.502 -9.834 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.331 7.908 -9.698 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.071 7.276 -8.612 1.00 0.00 H new ATOM 484 N THR A 36 3.323 10.279 -5.947 1.00 0.00 N ATOM 485 CA THR A 36 3.684 11.322 -4.995 1.00 0.00 C ATOM 486 C THR A 36 4.279 12.532 -5.705 1.00 0.00 C ATOM 487 O THR A 36 5.137 13.225 -5.157 1.00 0.00 O ATOM 488 CB THR A 36 4.693 10.805 -3.952 1.00 0.00 C ATOM 489 OG1 THR A 36 5.951 10.532 -4.580 1.00 0.00 O ATOM 490 CG2 THR A 36 4.174 9.546 -3.275 1.00 0.00 C ATOM 0 H THR A 36 4.113 9.876 -6.451 1.00 0.00 H new ATOM 0 HA THR A 36 2.766 11.618 -4.487 1.00 0.00 H new ATOM 0 HB THR A 36 4.826 11.577 -3.194 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.587 10.205 -3.910 1.00 0.00 H new ATOM 0 HG21 THR A 36 4.903 9.200 -2.543 1.00 0.00 H new ATOM 0 HG22 THR A 36 3.232 9.765 -2.773 1.00 0.00 H new ATOM 0 HG23 THR A 36 4.014 8.770 -4.023 1.00 0.00 H new ATOM 579 N LEU A 44 8.012 9.027 3.812 1.00 0.00 N ATOM 580 CA LEU A 44 6.881 8.144 3.553 1.00 0.00 C ATOM 581 C LEU A 44 6.971 6.881 4.404 1.00 0.00 C ATOM 582 O LEU A 44 8.059 6.369 4.660 1.00 0.00 O ATOM 583 CB LEU A 44 6.828 7.770 2.071 1.00 0.00 C ATOM 584 CG LEU A 44 6.013 6.524 1.721 1.00 0.00 C ATOM 585 CD1 LEU A 44 4.526 6.841 1.720 1.00 0.00 C ATOM 586 CD2 LEU A 44 6.443 5.968 0.372 1.00 0.00 C ATOM 0 HA LEU A 44 5.968 8.677 3.820 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.418 8.615 1.518 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.849 7.623 1.717 1.00 0.00 H new ATOM 0 HG LEU A 44 6.200 5.765 2.481 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.963 5.942 1.469 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.228 7.192 2.708 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.320 7.617 0.982 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.853 5.082 0.139 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.286 6.722 -0.399 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.499 5.701 0.408 1.00 0.00 H new ATOM 598 N GLY A 45 5.817 6.383 4.839 1.00 0.00 N ATOM 599 CA GLY A 45 5.787 5.183 5.655 1.00 0.00 C ATOM 600 C GLY A 45 4.684 4.229 5.243 1.00 0.00 C ATOM 601 O GLY A 45 3.543 4.361 5.686 1.00 0.00 O ATOM 0 H GLY A 45 4.903 6.789 4.641 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.748 4.675 5.583 1.00 0.00 H new ATOM 0 HA3 GLY A 45 5.651 5.461 6.700 1.00 0.00 H new ATOM 605 N ILE A 46 5.023 3.267 4.391 1.00 0.00 N ATOM 606 CA ILE A 46 4.052 2.288 3.919 1.00 0.00 C ATOM 607 C ILE A 46 4.172 0.978 4.691 1.00 0.00 C ATOM 608 O ILE A 46 5.225 0.338 4.691 1.00 0.00 O ATOM 609 CB ILE A 46 4.226 2.002 2.416 1.00 0.00 C ATOM 610 CG1 ILE A 46 4.079 3.294 1.609 1.00 0.00 C ATOM 611 CG2 ILE A 46 3.213 0.965 1.953 1.00 0.00 C ATOM 612 CD1 ILE A 46 4.585 3.180 0.188 1.00 0.00 C ATOM 0 H ILE A 46 5.963 3.145 4.014 1.00 0.00 H new ATOM 0 HA ILE A 46 3.064 2.717 4.087 1.00 0.00 H new ATOM 0 HB ILE A 46 5.227 1.603 2.251 1.00 0.00 H new ATOM 0 HG12 ILE A 46 3.028 3.583 1.590 1.00 0.00 H new ATOM 0 HG13 ILE A 46 4.620 4.093 2.116 1.00 0.00 H new ATOM 0 HG21 ILE A 46 3.349 0.774 0.889 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.360 0.039 2.510 1.00 0.00 H new ATOM 0 HG23 ILE A 46 2.204 1.338 2.129 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.449 4.133 -0.324 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.644 2.921 0.198 1.00 0.00 H new ATOM 0 HD13 ILE A 46 4.027 2.404 -0.336 1.00 0.00 H new ATOM 624 N THR A 47 3.086 0.582 5.348 1.00 0.00 N ATOM 625 CA THR A 47 3.069 -0.652 6.123 1.00 0.00 C ATOM 626 C THR A 47 1.730 -1.367 5.989 1.00 0.00 C ATOM 627 O THR A 47 0.751 -0.790 5.514 1.00 0.00 O ATOM 628 CB THR A 47 3.347 -0.382 7.614 1.00 0.00 C ATOM 629 OG1 THR A 47 2.472 0.643 8.098 1.00 0.00 O ATOM 630 CG2 THR A 47 4.794 0.036 7.828 1.00 0.00 C ATOM 0 H THR A 47 2.207 1.099 5.359 1.00 0.00 H new ATOM 0 HA THR A 47 3.859 -1.288 5.723 1.00 0.00 H new ATOM 0 HB THR A 47 3.166 -1.304 8.167 1.00 0.00 H new ATOM 0 HG1 THR A 47 1.923 0.287 8.828 1.00 0.00 H new ATOM 0 HG21 THR A 47 4.966 0.221 8.888 1.00 0.00 H new ATOM 0 HG22 THR A 47 5.457 -0.759 7.486 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.997 0.946 7.263 1.00 0.00 H new ATOM 638 N VAL A 48 1.692 -2.627 6.410 1.00 0.00 N ATOM 639 CA VAL A 48 0.471 -3.421 6.338 1.00 0.00 C ATOM 640 C VAL A 48 0.206 -4.142 7.655 1.00 0.00 C ATOM 641 O VAL A 48 1.121 -4.695 8.266 1.00 0.00 O ATOM 642 CB VAL A 48 0.543 -4.459 5.202 1.00 0.00 C ATOM 643 CG1 VAL A 48 -0.717 -5.311 5.177 1.00 0.00 C ATOM 644 CG2 VAL A 48 0.757 -3.769 3.863 1.00 0.00 C ATOM 0 H VAL A 48 2.493 -3.120 6.805 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.346 -2.728 6.136 1.00 0.00 H new ATOM 0 HB VAL A 48 1.393 -5.116 5.386 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.648 -6.039 4.368 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.822 -5.834 6.128 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.585 -4.672 5.017 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.805 -4.517 3.072 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -0.071 -3.088 3.668 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.691 -3.207 3.888 1.00 0.00 H new ATOM 654 N GLU A 49 -1.051 -4.133 8.086 1.00 0.00 N ATOM 655 CA GLU A 49 -1.436 -4.786 9.331 1.00 0.00 C ATOM 656 C GLU A 49 -2.446 -5.900 9.072 1.00 0.00 C ATOM 657 O GLU A 49 -3.350 -5.754 8.249 1.00 0.00 O ATOM 658 CB GLU A 49 -2.025 -3.766 10.308 1.00 0.00 C ATOM 659 CG GLU A 49 -0.994 -2.811 10.885 1.00 0.00 C ATOM 660 CD GLU A 49 -1.463 -2.153 12.168 1.00 0.00 C ATOM 661 OE1 GLU A 49 -1.318 -2.776 13.241 1.00 0.00 O ATOM 662 OE2 GLU A 49 -1.975 -1.016 12.100 1.00 0.00 O ATOM 0 H GLU A 49 -1.820 -3.681 7.591 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.541 -5.226 9.772 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.796 -3.189 9.797 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.513 -4.298 11.125 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.068 -3.354 11.077 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.765 -2.041 10.148 1.00 0.00 H new ATOM 669 N GLY A 50 -2.285 -7.014 9.780 1.00 0.00 N ATOM 670 CA GLY A 50 -3.189 -8.137 9.612 1.00 0.00 C ATOM 671 C GLY A 50 -2.915 -9.255 10.598 1.00 0.00 C ATOM 672 O GLY A 50 -2.162 -9.093 11.559 1.00 0.00 O ATOM 0 H GLY A 50 -1.545 -7.159 10.467 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -4.216 -7.794 9.733 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -3.100 -8.523 8.596 1.00 0.00 H new ATOM 676 N PRO A 51 -3.536 -10.421 10.365 1.00 0.00 N ATOM 677 CA PRO A 51 -3.371 -11.592 11.230 1.00 0.00 C ATOM 678 C PRO A 51 -1.977 -12.201 11.122 1.00 0.00 C ATOM 679 O PRO A 51 -1.675 -13.203 11.770 1.00 0.00 O ATOM 680 CB PRO A 51 -4.424 -12.572 10.706 1.00 0.00 C ATOM 681 CG PRO A 51 -4.635 -12.176 9.285 1.00 0.00 C ATOM 682 CD PRO A 51 -4.446 -10.685 9.238 1.00 0.00 C ATOM 0 HA PRO A 51 -3.490 -11.340 12.284 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -4.078 -13.603 10.783 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -5.349 -12.502 11.278 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -3.925 -12.680 8.630 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -5.633 -12.454 8.947 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -4.015 -10.364 8.290 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -5.392 -10.156 9.353 1.00 0.00 H new ATOM 690 N SER A 52 -1.131 -11.589 10.300 1.00 0.00 N ATOM 691 CA SER A 52 0.231 -12.073 10.105 1.00 0.00 C ATOM 692 C SER A 52 1.130 -10.964 9.566 1.00 0.00 C ATOM 693 O SER A 52 0.667 -10.056 8.877 1.00 0.00 O ATOM 694 CB SER A 52 0.239 -13.263 9.144 1.00 0.00 C ATOM 695 OG SER A 52 0.150 -12.832 7.797 1.00 0.00 O ATOM 0 H SER A 52 -1.364 -10.757 9.758 1.00 0.00 H new ATOM 0 HA SER A 52 0.618 -12.393 11.072 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.152 -13.841 9.284 1.00 0.00 H new ATOM 0 HB3 SER A 52 -0.596 -13.925 9.373 1.00 0.00 H new ATOM 0 HG SER A 52 -0.656 -12.288 7.680 1.00 0.00 H new ATOM 701 N GLU A 53 2.417 -11.046 9.886 1.00 0.00 N ATOM 702 CA GLU A 53 3.381 -10.049 9.435 1.00 0.00 C ATOM 703 C GLU A 53 3.730 -10.256 7.964 1.00 0.00 C ATOM 704 O GLU A 53 4.376 -11.239 7.600 1.00 0.00 O ATOM 705 CB GLU A 53 4.652 -10.115 10.286 1.00 0.00 C ATOM 706 CG GLU A 53 5.705 -9.095 9.886 1.00 0.00 C ATOM 707 CD GLU A 53 6.974 -9.215 10.706 1.00 0.00 C ATOM 708 OE1 GLU A 53 6.870 -9.360 11.942 1.00 0.00 O ATOM 709 OE2 GLU A 53 8.072 -9.165 10.113 1.00 0.00 O ATOM 0 H GLU A 53 2.816 -11.792 10.456 1.00 0.00 H new ATOM 0 HA GLU A 53 2.927 -9.065 9.548 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.387 -9.961 11.332 1.00 0.00 H new ATOM 0 HB3 GLU A 53 5.079 -11.115 10.209 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.946 -9.222 8.830 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.296 -8.091 10.002 1.00 0.00 H new ATOM 716 N SER A 54 3.296 -9.323 7.122 1.00 0.00 N ATOM 717 CA SER A 54 3.558 -9.405 5.690 1.00 0.00 C ATOM 718 C SER A 54 4.923 -8.812 5.353 1.00 0.00 C ATOM 719 O SER A 54 5.330 -7.798 5.920 1.00 0.00 O ATOM 720 CB SER A 54 2.465 -8.674 4.908 1.00 0.00 C ATOM 721 OG SER A 54 1.176 -9.060 5.352 1.00 0.00 O ATOM 0 H SER A 54 2.762 -8.502 7.407 1.00 0.00 H new ATOM 0 HA SER A 54 3.558 -10.457 5.405 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.587 -7.597 5.027 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.567 -8.891 3.845 1.00 0.00 H new ATOM 0 HG SER A 54 0.495 -8.578 4.838 1.00 0.00 H new ATOM 727 N LYS A 55 5.626 -9.453 4.425 1.00 0.00 N ATOM 728 CA LYS A 55 6.945 -8.991 4.009 1.00 0.00 C ATOM 729 C LYS A 55 6.831 -7.809 3.052 1.00 0.00 C ATOM 730 O LYS A 55 6.604 -7.988 1.855 1.00 0.00 O ATOM 731 CB LYS A 55 7.719 -10.130 3.341 1.00 0.00 C ATOM 732 CG LYS A 55 8.528 -10.969 4.315 1.00 0.00 C ATOM 733 CD LYS A 55 8.987 -12.271 3.680 1.00 0.00 C ATOM 734 CE LYS A 55 10.160 -12.049 2.738 1.00 0.00 C ATOM 735 NZ LYS A 55 11.437 -11.851 3.478 1.00 0.00 N ATOM 0 H LYS A 55 5.304 -10.294 3.947 1.00 0.00 H new ATOM 0 HA LYS A 55 7.485 -8.665 4.898 1.00 0.00 H new ATOM 0 HB2 LYS A 55 7.016 -10.776 2.815 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.390 -9.711 2.591 1.00 0.00 H new ATOM 0 HG2 LYS A 55 9.395 -10.402 4.652 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.926 -11.186 5.198 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.274 -12.976 4.460 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.159 -12.721 3.132 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.256 -12.905 2.070 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.964 -11.178 2.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 12.228 -11.822 2.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 11.398 -10.955 4.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 11.578 -12.638 4.143 1.00 0.00 H new ATOM 749 N ILE A 56 6.991 -6.603 3.586 1.00 0.00 N ATOM 750 CA ILE A 56 6.908 -5.393 2.778 1.00 0.00 C ATOM 751 C ILE A 56 8.282 -4.986 2.256 1.00 0.00 C ATOM 752 O ILE A 56 9.296 -5.191 2.922 1.00 0.00 O ATOM 753 CB ILE A 56 6.307 -4.222 3.578 1.00 0.00 C ATOM 754 CG1 ILE A 56 4.802 -4.423 3.766 1.00 0.00 C ATOM 755 CG2 ILE A 56 6.587 -2.902 2.875 1.00 0.00 C ATOM 756 CD1 ILE A 56 4.234 -3.666 4.946 1.00 0.00 C ATOM 0 H ILE A 56 7.179 -6.438 4.575 1.00 0.00 H new ATOM 0 HA ILE A 56 6.254 -5.620 1.936 1.00 0.00 H new ATOM 0 HB ILE A 56 6.776 -4.194 4.562 1.00 0.00 H new ATOM 0 HG12 ILE A 56 4.285 -4.107 2.860 1.00 0.00 H new ATOM 0 HG13 ILE A 56 4.599 -5.486 3.895 1.00 0.00 H new ATOM 0 HG21 ILE A 56 6.156 -2.084 3.452 1.00 0.00 H new ATOM 0 HG22 ILE A 56 7.664 -2.757 2.788 1.00 0.00 H new ATOM 0 HG23 ILE A 56 6.142 -2.918 1.880 1.00 0.00 H new ATOM 0 HD11 ILE A 56 3.163 -3.855 5.018 1.00 0.00 H new ATOM 0 HD12 ILE A 56 4.724 -3.998 5.861 1.00 0.00 H new ATOM 0 HD13 ILE A 56 4.405 -2.598 4.810 1.00 0.00 H new ATOM 768 N ASN A 57 8.306 -4.405 1.061 1.00 0.00 N ATOM 769 CA ASN A 57 9.555 -3.967 0.449 1.00 0.00 C ATOM 770 C ASN A 57 9.320 -2.777 -0.476 1.00 0.00 C ATOM 771 O ASN A 57 8.565 -2.870 -1.444 1.00 0.00 O ATOM 772 CB ASN A 57 10.195 -5.116 -0.332 1.00 0.00 C ATOM 773 CG ASN A 57 10.871 -6.126 0.574 1.00 0.00 C ATOM 774 OD1 ASN A 57 11.834 -5.805 1.271 1.00 0.00 O ATOM 775 ND2 ASN A 57 10.369 -7.355 0.569 1.00 0.00 N ATOM 0 H ASN A 57 7.475 -4.227 0.497 1.00 0.00 H new ATOM 0 HA ASN A 57 10.231 -3.657 1.245 1.00 0.00 H new ATOM 0 HB2 ASN A 57 9.431 -5.618 -0.925 1.00 0.00 H new ATOM 0 HB3 ASN A 57 10.927 -4.713 -1.032 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.783 -8.077 1.159 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.570 -7.577 -0.024 1.00 0.00 H new ATOM 782 N CYS A 58 9.972 -1.660 -0.171 1.00 0.00 N ATOM 783 CA CYS A 58 9.834 -0.451 -0.975 1.00 0.00 C ATOM 784 C CYS A 58 10.865 -0.424 -2.098 1.00 0.00 C ATOM 785 O CYS A 58 11.895 -1.094 -2.024 1.00 0.00 O ATOM 786 CB CYS A 58 9.986 0.791 -0.096 1.00 0.00 C ATOM 787 SG CYS A 58 8.433 1.393 0.609 1.00 0.00 S ATOM 0 H CYS A 58 10.601 -1.567 0.627 1.00 0.00 H new ATOM 0 HA CYS A 58 8.839 -0.452 -1.420 1.00 0.00 H new ATOM 0 HB2 CYS A 58 10.678 0.566 0.716 1.00 0.00 H new ATOM 0 HB3 CYS A 58 10.437 1.588 -0.687 1.00 0.00 H new ATOM 0 HG CYS A 58 8.666 2.444 1.338 1.00 0.00 H new ATOM 895 N CYS A 66 6.333 6.082 -6.293 1.00 0.00 N ATOM 896 CA CYS A 66 6.876 5.169 -5.293 1.00 0.00 C ATOM 897 C CYS A 66 6.304 3.766 -5.471 1.00 0.00 C ATOM 898 O CYS A 66 5.156 3.601 -5.883 1.00 0.00 O ATOM 899 CB CYS A 66 6.572 5.682 -3.885 1.00 0.00 C ATOM 900 SG CYS A 66 7.555 7.119 -3.395 1.00 0.00 S ATOM 0 HA CYS A 66 7.956 5.121 -5.429 1.00 0.00 H new ATOM 0 HB2 CYS A 66 5.515 5.941 -3.824 1.00 0.00 H new ATOM 0 HB3 CYS A 66 6.745 4.877 -3.171 1.00 0.00 H new ATOM 0 HG CYS A 66 7.084 7.609 -2.287 1.00 0.00 H new ATOM 906 N SER A 67 7.112 2.759 -5.157 1.00 0.00 N ATOM 907 CA SER A 67 6.688 1.370 -5.288 1.00 0.00 C ATOM 908 C SER A 67 6.812 0.637 -3.955 1.00 0.00 C ATOM 909 O SER A 67 7.875 0.627 -3.336 1.00 0.00 O ATOM 910 CB SER A 67 7.523 0.657 -6.353 1.00 0.00 C ATOM 911 OG SER A 67 6.935 0.791 -7.636 1.00 0.00 O ATOM 0 H SER A 67 8.064 2.879 -4.810 1.00 0.00 H new ATOM 0 HA SER A 67 5.641 1.363 -5.592 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.531 1.071 -6.367 1.00 0.00 H new ATOM 0 HB3 SER A 67 7.615 -0.399 -6.100 1.00 0.00 H new ATOM 0 HG SER A 67 7.488 0.328 -8.299 1.00 0.00 H new ATOM 917 N ALA A 68 5.715 0.025 -3.520 1.00 0.00 N ATOM 918 CA ALA A 68 5.700 -0.713 -2.263 1.00 0.00 C ATOM 919 C ALA A 68 5.018 -2.066 -2.429 1.00 0.00 C ATOM 920 O ALA A 68 3.819 -2.139 -2.693 1.00 0.00 O ATOM 921 CB ALA A 68 5.004 0.102 -1.182 1.00 0.00 C ATOM 0 H ALA A 68 4.826 0.026 -4.019 1.00 0.00 H new ATOM 0 HA ALA A 68 6.732 -0.891 -1.962 1.00 0.00 H new ATOM 0 HB1 ALA A 68 5.000 -0.461 -0.248 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.535 1.042 -1.037 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.978 0.308 -1.486 1.00 0.00 H new ATOM 927 N GLU A 69 5.791 -3.136 -2.272 1.00 0.00 N ATOM 928 CA GLU A 69 5.261 -4.488 -2.406 1.00 0.00 C ATOM 929 C GLU A 69 5.129 -5.159 -1.042 1.00 0.00 C ATOM 930 O GLU A 69 5.852 -4.827 -0.102 1.00 0.00 O ATOM 931 CB GLU A 69 6.163 -5.326 -3.314 1.00 0.00 C ATOM 932 CG GLU A 69 7.635 -5.252 -2.945 1.00 0.00 C ATOM 933 CD GLU A 69 8.359 -4.126 -3.657 1.00 0.00 C ATOM 934 OE1 GLU A 69 7.680 -3.297 -4.297 1.00 0.00 O ATOM 935 OE2 GLU A 69 9.604 -4.075 -3.574 1.00 0.00 O ATOM 0 H GLU A 69 6.786 -3.093 -2.052 1.00 0.00 H new ATOM 0 HA GLU A 69 4.270 -4.419 -2.855 1.00 0.00 H new ATOM 0 HB2 GLU A 69 5.839 -6.366 -3.274 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.038 -4.992 -4.344 1.00 0.00 H new ATOM 0 HG2 GLU A 69 7.729 -5.116 -1.868 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.115 -6.200 -3.190 1.00 0.00 H new ATOM 942 N TYR A 70 4.200 -6.103 -0.941 1.00 0.00 N ATOM 943 CA TYR A 70 3.970 -6.819 0.308 1.00 0.00 C ATOM 944 C TYR A 70 3.482 -8.239 0.040 1.00 0.00 C ATOM 945 O TYR A 70 2.862 -8.510 -0.989 1.00 0.00 O ATOM 946 CB TYR A 70 2.951 -6.071 1.169 1.00 0.00 C ATOM 947 CG TYR A 70 1.532 -6.177 0.657 1.00 0.00 C ATOM 948 CD1 TYR A 70 0.745 -7.281 0.958 1.00 0.00 C ATOM 949 CD2 TYR A 70 0.979 -5.172 -0.127 1.00 0.00 C ATOM 950 CE1 TYR A 70 -0.551 -7.383 0.492 1.00 0.00 C ATOM 951 CE2 TYR A 70 -0.317 -5.264 -0.596 1.00 0.00 C ATOM 952 CZ TYR A 70 -1.078 -6.372 -0.284 1.00 0.00 C ATOM 953 OH TYR A 70 -2.370 -6.468 -0.749 1.00 0.00 O ATOM 0 H TYR A 70 3.594 -6.390 -1.709 1.00 0.00 H new ATOM 0 HA TYR A 70 4.917 -6.875 0.845 1.00 0.00 H new ATOM 0 HB2 TYR A 70 2.991 -6.461 2.186 1.00 0.00 H new ATOM 0 HB3 TYR A 70 3.233 -5.019 1.219 1.00 0.00 H new ATOM 0 HD1 TYR A 70 1.154 -8.074 1.567 1.00 0.00 H new ATOM 0 HD2 TYR A 70 1.573 -4.304 -0.374 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -1.148 -8.250 0.734 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -0.732 -4.473 -1.203 1.00 0.00 H new ATOM 0 HH TYR A 70 -2.651 -5.604 -1.116 1.00 0.00 H new ATOM 963 N ILE A 71 3.765 -9.141 0.974 1.00 0.00 N ATOM 964 CA ILE A 71 3.353 -10.533 0.841 1.00 0.00 C ATOM 965 C ILE A 71 2.950 -11.118 2.190 1.00 0.00 C ATOM 966 O ILE A 71 3.787 -11.403 3.047 1.00 0.00 O ATOM 967 CB ILE A 71 4.475 -11.396 0.234 1.00 0.00 C ATOM 968 CG1 ILE A 71 4.800 -10.925 -1.184 1.00 0.00 C ATOM 969 CG2 ILE A 71 4.072 -12.863 0.231 1.00 0.00 C ATOM 970 CD1 ILE A 71 6.192 -11.302 -1.642 1.00 0.00 C ATOM 0 H ILE A 71 4.278 -8.933 1.831 1.00 0.00 H new ATOM 0 HA ILE A 71 2.493 -10.545 0.171 1.00 0.00 H new ATOM 0 HB ILE A 71 5.370 -11.286 0.847 1.00 0.00 H new ATOM 0 HG12 ILE A 71 4.072 -11.349 -1.875 1.00 0.00 H new ATOM 0 HG13 ILE A 71 4.691 -9.841 -1.232 1.00 0.00 H new ATOM 0 HG21 ILE A 71 4.875 -13.460 -0.201 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.885 -13.191 1.254 1.00 0.00 H new ATOM 0 HG23 ILE A 71 3.166 -12.990 -0.362 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.353 -10.936 -2.656 1.00 0.00 H new ATOM 0 HD12 ILE A 71 6.928 -10.855 -0.974 1.00 0.00 H new ATOM 0 HD13 ILE A 71 6.299 -12.387 -1.627 1.00 0.00 H new ATOM 982 N PRO A 72 1.636 -11.304 2.385 1.00 0.00 N ATOM 983 CA PRO A 72 1.091 -11.860 3.628 1.00 0.00 C ATOM 984 C PRO A 72 1.425 -13.338 3.797 1.00 0.00 C ATOM 985 O PRO A 72 1.958 -13.973 2.886 1.00 0.00 O ATOM 986 CB PRO A 72 -0.419 -11.668 3.470 1.00 0.00 C ATOM 987 CG PRO A 72 -0.645 -11.629 1.997 1.00 0.00 C ATOM 988 CD PRO A 72 0.581 -10.987 1.408 1.00 0.00 C ATOM 0 HA PRO A 72 1.507 -11.372 4.510 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -0.972 -12.485 3.934 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -0.753 -10.746 3.946 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -0.790 -12.633 1.598 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -1.540 -11.057 1.754 1.00 0.00 H new ATOM 0 HD2 PRO A 72 0.812 -11.391 0.422 1.00 0.00 H new ATOM 0 HD3 PRO A 72 0.453 -9.911 1.290 1.00 0.00 H new ATOM 996 N PHE A 73 1.108 -13.881 4.968 1.00 0.00 N ATOM 997 CA PHE A 73 1.376 -15.286 5.256 1.00 0.00 C ATOM 998 C PHE A 73 0.099 -16.006 5.680 1.00 0.00 C ATOM 999 O PHE A 73 0.064 -17.234 5.758 1.00 0.00 O ATOM 1000 CB PHE A 73 2.434 -15.410 6.355 1.00 0.00 C ATOM 1001 CG PHE A 73 3.801 -14.961 5.924 1.00 0.00 C ATOM 1002 CD1 PHE A 73 4.462 -15.605 4.891 1.00 0.00 C ATOM 1003 CD2 PHE A 73 4.424 -13.895 6.552 1.00 0.00 C ATOM 1004 CE1 PHE A 73 5.721 -15.195 4.493 1.00 0.00 C ATOM 1005 CE2 PHE A 73 5.682 -13.479 6.158 1.00 0.00 C ATOM 1006 CZ PHE A 73 6.331 -14.129 5.126 1.00 0.00 C ATOM 0 H PHE A 73 0.666 -13.370 5.732 1.00 0.00 H new ATOM 0 HA PHE A 73 1.751 -15.754 4.346 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.122 -14.821 7.217 1.00 0.00 H new ATOM 0 HB3 PHE A 73 2.487 -16.449 6.681 1.00 0.00 H new ATOM 0 HD1 PHE A 73 3.989 -16.437 4.391 1.00 0.00 H new ATOM 0 HD2 PHE A 73 3.921 -13.383 7.359 1.00 0.00 H new ATOM 0 HE1 PHE A 73 6.227 -15.707 3.688 1.00 0.00 H new ATOM 0 HE2 PHE A 73 6.157 -12.647 6.656 1.00 0.00 H new ATOM 0 HZ PHE A 73 7.313 -13.805 4.815 1.00 0.00 H new ATOM 1016 N ALA A 74 -0.947 -15.233 5.954 1.00 0.00 N ATOM 1017 CA ALA A 74 -2.225 -15.797 6.368 1.00 0.00 C ATOM 1018 C ALA A 74 -3.390 -15.000 5.789 1.00 0.00 C ATOM 1019 O ALA A 74 -3.334 -13.777 5.661 1.00 0.00 O ATOM 1020 CB ALA A 74 -2.316 -15.840 7.886 1.00 0.00 C ATOM 0 H ALA A 74 -0.934 -14.215 5.897 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.287 -16.815 5.982 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -3.276 -16.264 8.181 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.510 -16.458 8.281 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.228 -14.829 8.285 1.00 0.00 H new ATOM 1026 N PRO A 75 -4.471 -15.708 5.429 1.00 0.00 N ATOM 1027 CA PRO A 75 -5.669 -15.086 4.857 1.00 0.00 C ATOM 1028 C PRO A 75 -6.434 -14.253 5.880 1.00 0.00 C ATOM 1029 O PRO A 75 -6.510 -14.610 7.055 1.00 0.00 O ATOM 1030 CB PRO A 75 -6.509 -16.284 4.407 1.00 0.00 C ATOM 1031 CG PRO A 75 -6.066 -17.407 5.281 1.00 0.00 C ATOM 1032 CD PRO A 75 -4.607 -17.169 5.553 1.00 0.00 C ATOM 0 HA PRO A 75 -5.424 -14.393 4.052 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -7.575 -16.087 4.525 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -6.342 -16.512 3.354 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -6.638 -17.428 6.209 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -6.220 -18.368 4.790 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -4.321 -17.516 6.546 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -3.974 -17.694 4.837 1.00 0.00 H new ATOM 1040 N GLY A 76 -7.001 -13.140 5.424 1.00 0.00 N ATOM 1041 CA GLY A 76 -7.753 -12.273 6.313 1.00 0.00 C ATOM 1042 C GLY A 76 -7.829 -10.847 5.804 1.00 0.00 C ATOM 1043 O GLY A 76 -7.419 -10.559 4.680 1.00 0.00 O ATOM 0 H GLY A 76 -6.953 -12.823 4.456 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -8.762 -12.667 6.432 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -7.290 -12.279 7.300 1.00 0.00 H new ATOM 1047 N ASP A 77 -8.357 -9.953 6.633 1.00 0.00 N ATOM 1048 CA ASP A 77 -8.486 -8.549 6.261 1.00 0.00 C ATOM 1049 C ASP A 77 -7.261 -7.755 6.702 1.00 0.00 C ATOM 1050 O ASP A 77 -6.968 -7.656 7.894 1.00 0.00 O ATOM 1051 CB ASP A 77 -9.749 -7.949 6.882 1.00 0.00 C ATOM 1052 CG ASP A 77 -9.783 -8.106 8.390 1.00 0.00 C ATOM 1053 OD1 ASP A 77 -9.339 -9.163 8.887 1.00 0.00 O ATOM 1054 OD2 ASP A 77 -10.253 -7.172 9.073 1.00 0.00 O ATOM 0 H ASP A 77 -8.702 -10.176 7.567 1.00 0.00 H new ATOM 0 HA ASP A 77 -8.562 -8.492 5.175 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -9.808 -6.891 6.628 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -10.627 -8.430 6.450 1.00 0.00 H new ATOM 1059 N TYR A 78 -6.548 -7.191 5.733 1.00 0.00 N ATOM 1060 CA TYR A 78 -5.352 -6.409 6.021 1.00 0.00 C ATOM 1061 C TYR A 78 -5.606 -4.922 5.793 1.00 0.00 C ATOM 1062 O TYR A 78 -6.444 -4.542 4.975 1.00 0.00 O ATOM 1063 CB TYR A 78 -4.187 -6.879 5.148 1.00 0.00 C ATOM 1064 CG TYR A 78 -3.580 -8.188 5.601 1.00 0.00 C ATOM 1065 CD1 TYR A 78 -4.308 -9.370 5.540 1.00 0.00 C ATOM 1066 CD2 TYR A 78 -2.281 -8.242 6.089 1.00 0.00 C ATOM 1067 CE1 TYR A 78 -3.758 -10.568 5.954 1.00 0.00 C ATOM 1068 CE2 TYR A 78 -1.723 -9.436 6.503 1.00 0.00 C ATOM 1069 CZ TYR A 78 -2.465 -10.596 6.434 1.00 0.00 C ATOM 1070 OH TYR A 78 -1.913 -11.787 6.846 1.00 0.00 O ATOM 0 H TYR A 78 -6.778 -7.261 4.742 1.00 0.00 H new ATOM 0 HA TYR A 78 -5.094 -6.559 7.070 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -4.534 -6.986 4.120 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -3.413 -6.111 5.145 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -5.320 -9.352 5.163 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -1.697 -7.335 6.146 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -4.337 -11.478 5.902 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -0.711 -9.461 6.879 1.00 0.00 H new ATOM 0 HH TYR A 78 -2.485 -12.529 6.560 1.00 0.00 H new ATOM 1080 N ASP A 79 -4.874 -4.085 6.521 1.00 0.00 N ATOM 1081 CA ASP A 79 -5.018 -2.639 6.398 1.00 0.00 C ATOM 1082 C ASP A 79 -3.688 -1.991 6.024 1.00 0.00 C ATOM 1083 O ASP A 79 -2.770 -1.917 6.842 1.00 0.00 O ATOM 1084 CB ASP A 79 -5.540 -2.044 7.706 1.00 0.00 C ATOM 1085 CG ASP A 79 -7.054 -2.006 7.762 1.00 0.00 C ATOM 1086 OD1 ASP A 79 -7.657 -3.015 8.182 1.00 0.00 O ATOM 1087 OD2 ASP A 79 -7.637 -0.968 7.384 1.00 0.00 O ATOM 0 H ASP A 79 -4.175 -4.383 7.202 1.00 0.00 H new ATOM 0 HA ASP A 79 -5.737 -2.436 5.604 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -5.163 -2.630 8.544 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -5.150 -1.033 7.823 1.00 0.00 H new ATOM 1092 N VAL A 80 -3.591 -1.524 4.784 1.00 0.00 N ATOM 1093 CA VAL A 80 -2.374 -0.882 4.302 1.00 0.00 C ATOM 1094 C VAL A 80 -2.244 0.534 4.851 1.00 0.00 C ATOM 1095 O VAL A 80 -2.957 1.443 4.427 1.00 0.00 O ATOM 1096 CB VAL A 80 -2.339 -0.829 2.763 1.00 0.00 C ATOM 1097 CG1 VAL A 80 -1.089 -0.108 2.281 1.00 0.00 C ATOM 1098 CG2 VAL A 80 -2.413 -2.233 2.180 1.00 0.00 C ATOM 0 H VAL A 80 -4.341 -1.578 4.095 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.538 -1.484 4.657 1.00 0.00 H new ATOM 0 HB VAL A 80 -3.208 -0.270 2.416 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -1.082 -0.081 1.191 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -1.084 0.910 2.670 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.204 -0.636 2.636 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -2.387 -2.177 1.092 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.565 -2.819 2.533 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.340 -2.710 2.497 1.00 0.00 H new ATOM 1108 N ASN A 81 -1.329 0.714 5.798 1.00 0.00 N ATOM 1109 CA ASN A 81 -1.106 2.021 6.406 1.00 0.00 C ATOM 1110 C ASN A 81 -0.122 2.844 5.580 1.00 0.00 C ATOM 1111 O ASN A 81 1.027 2.447 5.387 1.00 0.00 O ATOM 1112 CB ASN A 81 -0.580 1.859 7.834 1.00 0.00 C ATOM 1113 CG ASN A 81 -1.632 1.313 8.779 1.00 0.00 C ATOM 1114 OD1 ASN A 81 -2.222 2.055 9.564 1.00 0.00 O ATOM 1115 ND2 ASN A 81 -1.873 0.009 8.707 1.00 0.00 N ATOM 0 H ASN A 81 -0.730 -0.028 6.161 1.00 0.00 H new ATOM 0 HA ASN A 81 -2.059 2.549 6.435 1.00 0.00 H new ATOM 0 HB2 ASN A 81 0.281 1.190 7.828 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -0.231 2.824 8.201 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -2.571 -0.415 9.318 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -1.360 -0.568 8.041 1.00 0.00 H new ATOM 1122 N ILE A 82 -0.581 3.993 5.096 1.00 0.00 N ATOM 1123 CA ILE A 82 0.258 4.873 4.293 1.00 0.00 C ATOM 1124 C ILE A 82 0.252 6.295 4.846 1.00 0.00 C ATOM 1125 O ILE A 82 -0.800 6.925 4.959 1.00 0.00 O ATOM 1126 CB ILE A 82 -0.202 4.904 2.824 1.00 0.00 C ATOM 1127 CG1 ILE A 82 -0.437 3.482 2.310 1.00 0.00 C ATOM 1128 CG2 ILE A 82 0.826 5.621 1.961 1.00 0.00 C ATOM 1129 CD1 ILE A 82 -0.915 3.429 0.876 1.00 0.00 C ATOM 0 H ILE A 82 -1.530 4.336 5.246 1.00 0.00 H new ATOM 0 HA ILE A 82 1.270 4.472 4.340 1.00 0.00 H new ATOM 0 HB ILE A 82 -1.142 5.452 2.765 1.00 0.00 H new ATOM 0 HG12 ILE A 82 0.490 2.915 2.397 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -1.172 2.991 2.948 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.486 5.634 0.925 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.949 6.644 2.316 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.781 5.099 2.023 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.061 2.390 0.579 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.858 3.968 0.787 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -0.171 3.891 0.227 1.00 0.00 H new ATOM 1141 N THR A 83 1.435 6.796 5.188 1.00 0.00 N ATOM 1142 CA THR A 83 1.567 8.143 5.728 1.00 0.00 C ATOM 1143 C THR A 83 2.653 8.925 4.998 1.00 0.00 C ATOM 1144 O THR A 83 3.603 8.343 4.473 1.00 0.00 O ATOM 1145 CB THR A 83 1.893 8.115 7.233 1.00 0.00 C ATOM 1146 OG1 THR A 83 3.049 7.303 7.469 1.00 0.00 O ATOM 1147 CG2 THR A 83 0.717 7.576 8.033 1.00 0.00 C ATOM 0 H THR A 83 2.316 6.289 5.100 1.00 0.00 H new ATOM 0 HA THR A 83 0.607 8.638 5.581 1.00 0.00 H new ATOM 0 HB THR A 83 2.094 9.136 7.557 1.00 0.00 H new ATOM 0 HG1 THR A 83 3.251 7.292 8.428 1.00 0.00 H new ATOM 0 HG21 THR A 83 0.972 7.566 9.093 1.00 0.00 H new ATOM 0 HG22 THR A 83 -0.153 8.213 7.875 1.00 0.00 H new ATOM 0 HG23 THR A 83 0.488 6.562 7.705 1.00 0.00 H new ATOM 1155 N TYR A 84 2.508 10.245 4.969 1.00 0.00 N ATOM 1156 CA TYR A 84 3.476 11.106 4.302 1.00 0.00 C ATOM 1157 C TYR A 84 3.769 12.347 5.139 1.00 0.00 C ATOM 1158 O TYR A 84 2.898 13.191 5.345 1.00 0.00 O ATOM 1159 CB TYR A 84 2.959 11.517 2.923 1.00 0.00 C ATOM 1160 CG TYR A 84 4.032 12.075 2.015 1.00 0.00 C ATOM 1161 CD1 TYR A 84 4.895 11.230 1.328 1.00 0.00 C ATOM 1162 CD2 TYR A 84 4.184 13.445 1.845 1.00 0.00 C ATOM 1163 CE1 TYR A 84 5.878 11.734 0.498 1.00 0.00 C ATOM 1164 CE2 TYR A 84 5.162 13.958 1.016 1.00 0.00 C ATOM 1165 CZ TYR A 84 6.007 13.099 0.345 1.00 0.00 C ATOM 1166 OH TYR A 84 6.984 13.607 -0.481 1.00 0.00 O ATOM 0 H TYR A 84 1.729 10.742 5.400 1.00 0.00 H new ATOM 0 HA TYR A 84 4.402 10.544 4.182 1.00 0.00 H new ATOM 0 HB2 TYR A 84 2.503 10.652 2.443 1.00 0.00 H new ATOM 0 HB3 TYR A 84 2.175 12.264 3.046 1.00 0.00 H new ATOM 0 HD1 TYR A 84 4.796 10.161 1.445 1.00 0.00 H new ATOM 0 HD2 TYR A 84 3.526 14.121 2.370 1.00 0.00 H new ATOM 0 HE1 TYR A 84 6.541 11.063 -0.028 1.00 0.00 H new ATOM 0 HE2 TYR A 84 5.265 15.026 0.894 1.00 0.00 H new ATOM 0 HH TYR A 84 6.939 14.586 -0.478 1.00 0.00 H new ATOM 1176 N GLY A 85 5.005 12.452 5.618 1.00 0.00 N ATOM 1177 CA GLY A 85 5.393 13.593 6.427 1.00 0.00 C ATOM 1178 C GLY A 85 4.706 13.606 7.778 1.00 0.00 C ATOM 1179 O GLY A 85 4.546 14.661 8.391 1.00 0.00 O ATOM 0 H GLY A 85 5.744 11.767 5.460 1.00 0.00 H new ATOM 0 HA2 GLY A 85 6.473 13.581 6.572 1.00 0.00 H new ATOM 0 HA3 GLY A 85 5.153 14.512 5.892 1.00 0.00 H new ATOM 1183 N GLY A 86 4.296 12.430 8.244 1.00 0.00 N ATOM 1184 CA GLY A 86 3.625 12.334 9.527 1.00 0.00 C ATOM 1185 C GLY A 86 2.132 12.573 9.421 1.00 0.00 C ATOM 1186 O GLY A 86 1.479 12.910 10.407 1.00 0.00 O ATOM 0 H GLY A 86 4.417 11.543 7.756 1.00 0.00 H new ATOM 0 HA2 GLY A 86 3.802 11.346 9.953 1.00 0.00 H new ATOM 0 HA3 GLY A 86 4.058 13.060 10.215 1.00 0.00 H new ATOM 1190 N ALA A 87 1.591 12.400 8.219 1.00 0.00 N ATOM 1191 CA ALA A 87 0.166 12.599 7.987 1.00 0.00 C ATOM 1192 C ALA A 87 -0.421 11.457 7.165 1.00 0.00 C ATOM 1193 O ALA A 87 0.107 11.101 6.112 1.00 0.00 O ATOM 1194 CB ALA A 87 -0.074 13.931 7.291 1.00 0.00 C ATOM 0 H ALA A 87 2.118 12.122 7.391 1.00 0.00 H new ATOM 0 HA ALA A 87 -0.337 12.611 8.954 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -1.142 14.067 7.124 1.00 0.00 H new ATOM 0 HB2 ALA A 87 0.301 14.741 7.916 1.00 0.00 H new ATOM 0 HB3 ALA A 87 0.447 13.940 6.334 1.00 0.00 H new ATOM 1200 N HIS A 88 -1.518 10.885 7.654 1.00 0.00 N ATOM 1201 CA HIS A 88 -2.177 9.782 6.964 1.00 0.00 C ATOM 1202 C HIS A 88 -2.866 10.270 5.693 1.00 0.00 C ATOM 1203 O HIS A 88 -3.688 11.186 5.734 1.00 0.00 O ATOM 1204 CB HIS A 88 -3.197 9.113 7.886 1.00 0.00 C ATOM 1205 CG HIS A 88 -2.623 7.996 8.703 1.00 0.00 C ATOM 1206 ND1 HIS A 88 -2.351 6.748 8.185 1.00 0.00 N ATOM 1207 CD2 HIS A 88 -2.269 7.946 10.008 1.00 0.00 C ATOM 1208 CE1 HIS A 88 -1.856 5.977 9.137 1.00 0.00 C ATOM 1209 NE2 HIS A 88 -1.795 6.681 10.253 1.00 0.00 N ATOM 0 H HIS A 88 -1.968 11.167 8.525 1.00 0.00 H new ATOM 0 HA HIS A 88 -1.416 9.053 6.686 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -3.617 9.864 8.556 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -4.020 8.727 7.285 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -2.345 8.751 10.724 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -1.553 4.947 9.022 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -1.452 6.340 11.151 1.00 0.00 H new ATOM 1218 N ILE A 89 -2.524 9.654 4.567 1.00 0.00 N ATOM 1219 CA ILE A 89 -3.109 10.026 3.285 1.00 0.00 C ATOM 1220 C ILE A 89 -4.603 9.723 3.255 1.00 0.00 C ATOM 1221 O ILE A 89 -5.091 8.812 3.924 1.00 0.00 O ATOM 1222 CB ILE A 89 -2.424 9.291 2.118 1.00 0.00 C ATOM 1223 CG1 ILE A 89 -2.656 7.783 2.230 1.00 0.00 C ATOM 1224 CG2 ILE A 89 -0.935 9.604 2.097 1.00 0.00 C ATOM 1225 CD1 ILE A 89 -2.648 7.069 0.897 1.00 0.00 C ATOM 0 H ILE A 89 -1.845 8.895 4.516 1.00 0.00 H new ATOM 0 HA ILE A 89 -2.955 11.099 3.167 1.00 0.00 H new ATOM 0 HB ILE A 89 -2.862 9.638 1.182 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -1.885 7.352 2.868 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -3.613 7.606 2.722 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -0.464 9.077 1.267 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -0.791 10.677 1.975 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -0.482 9.282 3.035 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -2.818 6.004 1.054 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -3.437 7.473 0.263 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -1.683 7.214 0.412 1.00 0.00 H new ATOM 1237 N PRO A 90 -5.350 10.503 2.458 1.00 0.00 N ATOM 1238 CA PRO A 90 -6.799 10.336 2.319 1.00 0.00 C ATOM 1239 C PRO A 90 -7.166 9.057 1.575 1.00 0.00 C ATOM 1240 O PRO A 90 -7.445 9.083 0.377 1.00 0.00 O ATOM 1241 CB PRO A 90 -7.222 11.565 1.511 1.00 0.00 C ATOM 1242 CG PRO A 90 -6.003 11.957 0.751 1.00 0.00 C ATOM 1243 CD PRO A 90 -4.835 11.608 1.632 1.00 0.00 C ATOM 0 HA PRO A 90 -7.295 10.254 3.286 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -8.049 11.332 0.840 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -7.558 12.371 2.163 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -5.948 11.425 -0.199 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -6.013 13.022 0.520 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -3.968 11.302 1.047 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -4.525 12.456 2.243 1.00 0.00 H new ATOM 1251 N GLY A 91 -7.165 7.938 2.293 1.00 0.00 N ATOM 1252 CA GLY A 91 -7.500 6.664 1.683 1.00 0.00 C ATOM 1253 C GLY A 91 -7.023 5.484 2.506 1.00 0.00 C ATOM 1254 O GLY A 91 -7.503 4.364 2.334 1.00 0.00 O ATOM 0 H GLY A 91 -6.938 7.891 3.286 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.580 6.600 1.553 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -7.056 6.613 0.689 1.00 0.00 H new ATOM 1258 N SER A 92 -6.073 5.734 3.401 1.00 0.00 N ATOM 1259 CA SER A 92 -5.526 4.682 4.250 1.00 0.00 C ATOM 1260 C SER A 92 -6.121 4.752 5.653 1.00 0.00 C ATOM 1261 O SER A 92 -6.535 5.810 6.128 1.00 0.00 O ATOM 1262 CB SER A 92 -4.002 4.797 4.323 1.00 0.00 C ATOM 1263 OG SER A 92 -3.516 4.341 5.574 1.00 0.00 O ATOM 0 H SER A 92 -5.666 6.656 3.557 1.00 0.00 H new ATOM 0 HA SER A 92 -5.790 3.720 3.810 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.551 4.214 3.520 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.705 5.834 4.170 1.00 0.00 H new ATOM 0 HG SER A 92 -3.483 5.090 6.205 1.00 0.00 H new ATOM 1269 N PRO A 93 -6.165 3.598 6.335 1.00 0.00 N ATOM 1270 CA PRO A 93 -5.676 2.332 5.780 1.00 0.00 C ATOM 1271 C PRO A 93 -6.561 1.813 4.651 1.00 0.00 C ATOM 1272 O PRO A 93 -7.766 2.061 4.630 1.00 0.00 O ATOM 1273 CB PRO A 93 -5.722 1.379 6.977 1.00 0.00 C ATOM 1274 CG PRO A 93 -6.768 1.947 7.873 1.00 0.00 C ATOM 1275 CD PRO A 93 -6.697 3.439 7.699 1.00 0.00 C ATOM 0 HA PRO A 93 -4.685 2.436 5.338 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -5.975 0.365 6.666 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -4.756 1.327 7.479 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.756 1.570 7.608 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -6.587 1.666 8.911 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -7.678 3.903 7.805 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -6.045 3.900 8.441 1.00 0.00 H new ATOM 1283 N PHE A 94 -5.954 1.092 3.715 1.00 0.00 N ATOM 1284 CA PHE A 94 -6.687 0.538 2.582 1.00 0.00 C ATOM 1285 C PHE A 94 -6.983 -0.943 2.797 1.00 0.00 C ATOM 1286 O PHE A 94 -6.086 -1.783 2.727 1.00 0.00 O ATOM 1287 CB PHE A 94 -5.891 0.728 1.290 1.00 0.00 C ATOM 1288 CG PHE A 94 -5.701 2.169 0.909 1.00 0.00 C ATOM 1289 CD1 PHE A 94 -4.703 2.929 1.497 1.00 0.00 C ATOM 1290 CD2 PHE A 94 -6.520 2.762 -0.038 1.00 0.00 C ATOM 1291 CE1 PHE A 94 -4.527 4.255 1.149 1.00 0.00 C ATOM 1292 CE2 PHE A 94 -6.348 4.088 -0.391 1.00 0.00 C ATOM 1293 CZ PHE A 94 -5.350 4.834 0.203 1.00 0.00 C ATOM 0 H PHE A 94 -4.957 0.877 3.718 1.00 0.00 H new ATOM 0 HA PHE A 94 -7.634 1.071 2.499 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -4.914 0.258 1.402 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -6.402 0.210 0.478 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -4.055 2.480 2.236 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -7.302 2.182 -0.506 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -3.747 4.838 1.616 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -6.993 4.539 -1.130 1.00 0.00 H new ATOM 0 HZ PHE A 94 -5.213 5.869 -0.072 1.00 0.00 H new ATOM 1303 N ARG A 95 -8.248 -1.256 3.060 1.00 0.00 N ATOM 1304 CA ARG A 95 -8.663 -2.635 3.288 1.00 0.00 C ATOM 1305 C ARG A 95 -8.471 -3.475 2.028 1.00 0.00 C ATOM 1306 O ARG A 95 -8.926 -3.104 0.946 1.00 0.00 O ATOM 1307 CB ARG A 95 -10.127 -2.683 3.728 1.00 0.00 C ATOM 1308 CG ARG A 95 -10.679 -4.094 3.853 1.00 0.00 C ATOM 1309 CD ARG A 95 -10.170 -4.782 5.111 1.00 0.00 C ATOM 1310 NE ARG A 95 -10.725 -4.187 6.323 1.00 0.00 N ATOM 1311 CZ ARG A 95 -11.979 -4.367 6.722 1.00 0.00 C ATOM 1312 NH1 ARG A 95 -12.804 -5.121 6.009 1.00 0.00 N ATOM 1313 NH2 ARG A 95 -12.411 -3.792 7.837 1.00 0.00 N ATOM 0 H ARG A 95 -9.003 -0.573 3.120 1.00 0.00 H new ATOM 0 HA ARG A 95 -8.039 -3.050 4.080 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -10.226 -2.177 4.688 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -10.732 -2.127 3.011 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -11.768 -4.059 3.871 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -10.393 -4.677 2.977 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -10.429 -5.840 5.075 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -9.082 -4.721 5.143 1.00 0.00 H new ATOM 0 HE ARG A 95 -10.117 -3.601 6.895 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -12.476 -5.565 5.151 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -13.766 -5.257 6.318 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -11.780 -3.211 8.389 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -13.374 -3.931 8.142 1.00 0.00 H new ATOM 1327 N VAL A 96 -7.794 -4.609 2.177 1.00 0.00 N ATOM 1328 CA VAL A 96 -7.542 -5.503 1.053 1.00 0.00 C ATOM 1329 C VAL A 96 -7.805 -6.955 1.435 1.00 0.00 C ATOM 1330 O VAL A 96 -7.211 -7.494 2.369 1.00 0.00 O ATOM 1331 CB VAL A 96 -6.095 -5.371 0.544 1.00 0.00 C ATOM 1332 CG1 VAL A 96 -5.919 -6.119 -0.768 1.00 0.00 C ATOM 1333 CG2 VAL A 96 -5.717 -3.906 0.386 1.00 0.00 C ATOM 0 H VAL A 96 -7.410 -4.931 3.066 1.00 0.00 H new ATOM 0 HA VAL A 96 -8.227 -5.211 0.257 1.00 0.00 H new ATOM 0 HB VAL A 96 -5.428 -5.818 1.281 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.890 -6.014 -1.112 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -6.145 -7.175 -0.618 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -6.595 -5.705 -1.516 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -4.691 -3.832 0.025 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -6.388 -3.432 -0.330 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -5.800 -3.403 1.349 1.00 0.00 H new ATOM 1343 N PRO A 97 -8.716 -7.606 0.696 1.00 0.00 N ATOM 1344 CA PRO A 97 -9.077 -9.006 0.938 1.00 0.00 C ATOM 1345 C PRO A 97 -7.951 -9.967 0.574 1.00 0.00 C ATOM 1346 O PRO A 97 -7.560 -10.069 -0.589 1.00 0.00 O ATOM 1347 CB PRO A 97 -10.284 -9.224 0.022 1.00 0.00 C ATOM 1348 CG PRO A 97 -10.119 -8.220 -1.067 1.00 0.00 C ATOM 1349 CD PRO A 97 -9.462 -7.026 -0.433 1.00 0.00 C ATOM 0 HA PRO A 97 -9.283 -9.197 1.991 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -10.302 -10.239 -0.375 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -11.221 -9.075 0.559 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -9.507 -8.619 -1.876 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -11.083 -7.951 -1.499 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -8.800 -6.514 -1.131 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -10.197 -6.295 -0.096 1.00 0.00 H new ATOM 1357 N VAL A 98 -7.432 -10.670 1.576 1.00 0.00 N ATOM 1358 CA VAL A 98 -6.352 -11.625 1.360 1.00 0.00 C ATOM 1359 C VAL A 98 -6.884 -13.052 1.295 1.00 0.00 C ATOM 1360 O VAL A 98 -7.163 -13.670 2.322 1.00 0.00 O ATOM 1361 CB VAL A 98 -5.292 -11.534 2.474 1.00 0.00 C ATOM 1362 CG1 VAL A 98 -4.291 -12.673 2.353 1.00 0.00 C ATOM 1363 CG2 VAL A 98 -4.587 -10.187 2.430 1.00 0.00 C ATOM 0 H VAL A 98 -7.742 -10.596 2.545 1.00 0.00 H new ATOM 0 HA VAL A 98 -5.890 -11.370 0.406 1.00 0.00 H new ATOM 0 HB VAL A 98 -5.794 -11.624 3.437 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.550 -12.592 3.148 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -4.813 -13.626 2.438 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.792 -12.618 1.385 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -3.842 -10.140 3.224 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -4.097 -10.064 1.464 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -5.317 -9.390 2.570 1.00 0.00 H new ATOM 1373 N LYS A 99 -7.021 -13.571 0.080 1.00 0.00 N ATOM 1374 CA LYS A 99 -7.518 -14.927 -0.122 1.00 0.00 C ATOM 1375 C LYS A 99 -6.369 -15.895 -0.385 1.00 0.00 C ATOM 1376 O LYS A 99 -5.282 -15.485 -0.795 1.00 0.00 O ATOM 1377 CB LYS A 99 -8.506 -14.962 -1.290 1.00 0.00 C ATOM 1378 CG LYS A 99 -9.555 -13.865 -1.233 1.00 0.00 C ATOM 1379 CD LYS A 99 -10.018 -13.463 -2.623 1.00 0.00 C ATOM 1380 CE LYS A 99 -11.052 -12.349 -2.566 1.00 0.00 C ATOM 1381 NZ LYS A 99 -12.239 -12.736 -1.754 1.00 0.00 N ATOM 0 H LYS A 99 -6.795 -13.073 -0.781 1.00 0.00 H new ATOM 0 HA LYS A 99 -8.030 -15.238 0.788 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -7.953 -14.876 -2.225 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -9.006 -15.931 -1.303 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -10.409 -14.207 -0.649 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -9.146 -12.995 -0.719 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -9.161 -13.136 -3.212 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -10.442 -14.329 -3.131 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -10.598 -11.453 -2.142 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -11.370 -12.097 -3.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -13.007 -12.054 -1.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -12.555 -13.687 -2.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -11.984 -12.738 -0.746 1.00 0.00 H new