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= -0.123 X(o=-1.1,f=-1.1) USER MOD Set 1.2: A 92 SER OG : rot -130:sc= -0.953 USER MOD Set 2.1: A 52 SER OG : rot -51:sc= 1.31 USER MOD Set 2.2: A 78 TYR OH : rot 13:sc= 2.27 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) 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 33:sc= 0.183 USER MOD Single : A 27 ASN :FLIP amide:sc= -0.116 F(o=-2.4,f=-0.12) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -2.25 K(o=-2.2,f=-3.2) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.456 USER MOD Single : A 54 SER OG : rot 180:sc= -0.31 USER MOD Single : A 55 LYS NZ :NH3+ 158:sc=-0.000502 (180deg=-0.65) USER MOD Single : A 57 ASN : amide:sc= -0.0642 X(o=-0.064,f=-0.064) USER MOD Single : A 58 CYS SG : rot 24:sc= 0.0351 USER MOD Single : A 66 CYS SG : rot 160:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 157:sc= -0.821 USER MOD Single : A 81 ASN : amide:sc= -0.224 X(o=-0.22,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+ 175:sc= -0.326 (180deg=-0.381) USER MOD ----------------------------------------------------------------- ATOM 101 N PRO A 11 0.186 15.368 2.066 1.00 0.00 N ATOM 102 CA PRO A 11 -0.290 13.982 2.115 1.00 0.00 C ATOM 103 C PRO A 11 -1.658 13.816 1.463 1.00 0.00 C ATOM 104 O PRO A 11 -2.197 12.711 1.401 1.00 0.00 O ATOM 105 CB PRO A 11 -0.373 13.689 3.615 1.00 0.00 C ATOM 106 CG PRO A 11 -0.560 15.023 4.252 1.00 0.00 C ATOM 107 CD PRO A 11 0.196 16.000 3.396 1.00 0.00 C ATOM 0 HA PRO A 11 0.368 13.305 1.570 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.204 13.022 3.843 1.00 0.00 H new ATOM 0 HB3 PRO A 11 0.534 13.202 3.974 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -1.617 15.286 4.304 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -0.180 15.024 5.274 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -0.286 16.977 3.380 1.00 0.00 H new ATOM 0 HD3 PRO A 11 1.212 16.152 3.761 1.00 0.00 H new ATOM 115 N SER A 12 -2.216 14.921 0.978 1.00 0.00 N ATOM 116 CA SER A 12 -3.524 14.897 0.333 1.00 0.00 C ATOM 117 C SER A 12 -3.382 14.715 -1.175 1.00 0.00 C ATOM 118 O SER A 12 -4.275 14.180 -1.833 1.00 0.00 O ATOM 119 CB SER A 12 -4.287 16.189 0.633 1.00 0.00 C ATOM 120 OG SER A 12 -4.185 16.535 2.003 1.00 0.00 O ATOM 0 H SER A 12 -1.783 15.844 1.019 1.00 0.00 H new ATOM 0 HA SER A 12 -4.084 14.051 0.732 1.00 0.00 H new ATOM 0 HB2 SER A 12 -3.892 16.999 0.020 1.00 0.00 H new ATOM 0 HB3 SER A 12 -5.336 16.067 0.363 1.00 0.00 H new ATOM 0 HG SER A 12 -4.679 17.365 2.169 1.00 0.00 H new ATOM 126 N ARG A 13 -2.255 15.165 -1.716 1.00 0.00 N ATOM 127 CA ARG A 13 -1.996 15.053 -3.147 1.00 0.00 C ATOM 128 C ARG A 13 -1.568 13.635 -3.513 1.00 0.00 C ATOM 129 O ARG A 13 -1.477 13.287 -4.690 1.00 0.00 O ATOM 130 CB ARG A 13 -0.915 16.049 -3.570 1.00 0.00 C ATOM 131 CG ARG A 13 -1.358 17.501 -3.487 1.00 0.00 C ATOM 132 CD ARG A 13 -0.678 18.353 -4.547 1.00 0.00 C ATOM 133 NE ARG A 13 -0.775 19.779 -4.248 1.00 0.00 N ATOM 134 CZ ARG A 13 -1.859 20.508 -4.492 1.00 0.00 C ATOM 135 NH1 ARG A 13 -2.931 19.948 -5.035 1.00 0.00 N ATOM 136 NH2 ARG A 13 -1.871 21.801 -4.193 1.00 0.00 N ATOM 0 H ARG A 13 -1.506 15.611 -1.185 1.00 0.00 H new ATOM 0 HA ARG A 13 -2.920 15.283 -3.677 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -0.037 15.909 -2.939 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -0.610 15.829 -4.593 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -2.439 17.560 -3.610 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -1.128 17.897 -2.498 1.00 0.00 H new ATOM 0 HD2 ARG A 13 0.372 18.069 -4.622 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -1.132 18.154 -5.518 1.00 0.00 H new ATOM 0 HE ARG A 13 0.033 20.240 -3.829 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -2.925 18.955 -5.267 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -3.761 20.510 -5.221 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -1.048 22.236 -3.776 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -2.703 22.360 -4.380 1.00 0.00 H new ATOM 150 N VAL A 14 -1.305 12.821 -2.496 1.00 0.00 N ATOM 151 CA VAL A 14 -0.887 11.440 -2.710 1.00 0.00 C ATOM 152 C VAL A 14 -2.047 10.585 -3.205 1.00 0.00 C ATOM 153 O VAL A 14 -3.200 10.818 -2.844 1.00 0.00 O ATOM 154 CB VAL A 14 -0.319 10.819 -1.419 1.00 0.00 C ATOM 155 CG1 VAL A 14 0.321 9.471 -1.712 1.00 0.00 C ATOM 156 CG2 VAL A 14 0.680 11.764 -0.769 1.00 0.00 C ATOM 0 H VAL A 14 -1.374 13.094 -1.516 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.105 11.460 -3.469 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.140 10.659 -0.720 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.717 9.048 -0.789 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.426 8.796 -2.130 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.132 9.601 -2.428 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.071 11.310 0.141 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.501 11.957 -1.460 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.185 12.703 -0.522 1.00 0.00 H new ATOM 166 N GLN A 15 -1.733 9.593 -4.033 1.00 0.00 N ATOM 167 CA GLN A 15 -2.751 8.703 -4.577 1.00 0.00 C ATOM 168 C GLN A 15 -2.277 7.254 -4.551 1.00 0.00 C ATOM 169 O GLN A 15 -1.145 6.954 -4.929 1.00 0.00 O ATOM 170 CB GLN A 15 -3.103 9.111 -6.009 1.00 0.00 C ATOM 171 CG GLN A 15 -3.379 10.597 -6.168 1.00 0.00 C ATOM 172 CD GLN A 15 -3.835 10.960 -7.567 1.00 0.00 C ATOM 173 OE1 GLN A 15 -4.922 10.575 -7.998 1.00 0.00 O ATOM 174 NE2 GLN A 15 -3.003 11.705 -8.287 1.00 0.00 N ATOM 0 H GLN A 15 -0.783 9.386 -4.341 1.00 0.00 H new ATOM 0 HA GLN A 15 -3.641 8.786 -3.954 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -2.283 8.830 -6.670 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -3.980 8.550 -6.332 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -4.143 10.899 -5.451 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -2.476 11.158 -5.927 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -2.112 12.002 -7.890 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -3.256 11.980 -9.236 1.00 0.00 H new ATOM 183 N ALA A 16 -3.151 6.358 -4.102 1.00 0.00 N ATOM 184 CA ALA A 16 -2.822 4.940 -4.028 1.00 0.00 C ATOM 185 C ALA A 16 -3.849 4.099 -4.777 1.00 0.00 C ATOM 186 O ALA A 16 -5.040 4.141 -4.472 1.00 0.00 O ATOM 187 CB ALA A 16 -2.730 4.495 -2.576 1.00 0.00 C ATOM 0 H ALA A 16 -4.092 6.590 -3.784 1.00 0.00 H new ATOM 0 HA ALA A 16 -1.853 4.791 -4.504 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.484 3.434 -2.536 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -1.953 5.067 -2.069 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.687 4.664 -2.082 1.00 0.00 H new ATOM 193 N GLN A 17 -3.379 3.335 -5.759 1.00 0.00 N ATOM 194 CA GLN A 17 -4.259 2.485 -6.552 1.00 0.00 C ATOM 195 C GLN A 17 -3.493 1.301 -7.133 1.00 0.00 C ATOM 196 O GLN A 17 -2.278 1.364 -7.315 1.00 0.00 O ATOM 197 CB GLN A 17 -4.904 3.293 -7.679 1.00 0.00 C ATOM 198 CG GLN A 17 -3.900 3.889 -8.653 1.00 0.00 C ATOM 199 CD GLN A 17 -4.505 4.177 -10.012 1.00 0.00 C ATOM 200 OE1 GLN A 17 -4.806 3.261 -10.778 1.00 0.00 O ATOM 201 NE2 GLN A 17 -4.687 5.456 -10.320 1.00 0.00 N ATOM 0 H GLN A 17 -2.395 3.288 -6.024 1.00 0.00 H new ATOM 0 HA GLN A 17 -5.041 2.102 -5.896 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -5.592 2.650 -8.228 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -5.497 4.097 -7.244 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -3.499 4.812 -8.235 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -3.062 3.202 -8.771 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -4.423 6.183 -9.655 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -5.091 5.711 -11.221 1.00 0.00 H new ATOM 210 N GLY A 18 -4.212 0.221 -7.423 1.00 0.00 N ATOM 211 CA GLY A 18 -3.583 -0.962 -7.980 1.00 0.00 C ATOM 212 C GLY A 18 -4.179 -2.246 -7.437 1.00 0.00 C ATOM 213 O GLY A 18 -5.213 -2.241 -6.769 1.00 0.00 O ATOM 0 H GLY A 18 -5.219 0.144 -7.282 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.686 -0.948 -9.065 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -2.516 -0.939 -7.761 1.00 0.00 H new ATOM 217 N PRO A 19 -3.519 -3.377 -7.726 1.00 0.00 N ATOM 218 CA PRO A 19 -3.973 -4.696 -7.272 1.00 0.00 C ATOM 219 C PRO A 19 -3.819 -4.875 -5.766 1.00 0.00 C ATOM 220 O PRO A 19 -4.744 -5.318 -5.086 1.00 0.00 O ATOM 221 CB PRO A 19 -3.055 -5.664 -8.022 1.00 0.00 C ATOM 222 CG PRO A 19 -1.824 -4.875 -8.307 1.00 0.00 C ATOM 223 CD PRO A 19 -2.280 -3.457 -8.517 1.00 0.00 C ATOM 0 HA PRO A 19 -5.033 -4.853 -7.470 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.830 -6.544 -7.419 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -3.520 -6.018 -8.942 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.119 -4.939 -7.478 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.313 -5.255 -9.191 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -1.535 -2.740 -8.171 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.461 -3.245 -9.571 1.00 0.00 H new ATOM 231 N GLY A 20 -2.644 -4.526 -5.249 1.00 0.00 N ATOM 232 CA GLY A 20 -2.392 -4.656 -3.826 1.00 0.00 C ATOM 233 C GLY A 20 -3.430 -3.940 -2.985 1.00 0.00 C ATOM 234 O GLY A 20 -3.518 -4.157 -1.776 1.00 0.00 O ATOM 0 H GLY A 20 -1.863 -4.156 -5.791 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.378 -5.712 -3.558 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -1.404 -4.256 -3.597 1.00 0.00 H new ATOM 238 N LEU A 21 -4.219 -3.084 -3.625 1.00 0.00 N ATOM 239 CA LEU A 21 -5.256 -2.332 -2.928 1.00 0.00 C ATOM 240 C LEU A 21 -6.638 -2.903 -3.228 1.00 0.00 C ATOM 241 O LEU A 21 -7.545 -2.834 -2.398 1.00 0.00 O ATOM 242 CB LEU A 21 -5.203 -0.857 -3.331 1.00 0.00 C ATOM 243 CG LEU A 21 -3.885 -0.133 -3.054 1.00 0.00 C ATOM 244 CD1 LEU A 21 -3.923 1.279 -3.617 1.00 0.00 C ATOM 245 CD2 LEU A 21 -3.596 -0.105 -1.560 1.00 0.00 C ATOM 0 H LEU A 21 -4.160 -2.894 -4.625 1.00 0.00 H new ATOM 0 HA LEU A 21 -5.073 -2.417 -1.857 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.417 -0.784 -4.397 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -6.001 -0.329 -2.809 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.082 -0.678 -3.550 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.977 1.779 -3.410 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.083 1.237 -4.694 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.736 1.835 -3.151 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.654 0.414 -1.381 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.402 0.417 -1.043 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.525 -1.126 -1.184 1.00 0.00 H new ATOM 257 N LYS A 22 -6.792 -3.470 -4.420 1.00 0.00 N ATOM 258 CA LYS A 22 -8.062 -4.057 -4.831 1.00 0.00 C ATOM 259 C LYS A 22 -8.238 -5.447 -4.227 1.00 0.00 C ATOM 260 O LYS A 22 -9.254 -5.734 -3.595 1.00 0.00 O ATOM 261 CB LYS A 22 -8.140 -4.138 -6.357 1.00 0.00 C ATOM 262 CG LYS A 22 -8.471 -2.812 -7.020 1.00 0.00 C ATOM 263 CD LYS A 22 -8.104 -2.820 -8.495 1.00 0.00 C ATOM 264 CE LYS A 22 -8.247 -1.437 -9.111 1.00 0.00 C ATOM 265 NZ LYS A 22 -9.667 -1.113 -9.425 1.00 0.00 N ATOM 0 H LYS A 22 -6.052 -3.535 -5.119 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.865 -3.417 -4.467 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.187 -4.500 -6.743 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -8.896 -4.873 -6.635 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -9.535 -2.605 -6.910 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -7.936 -2.008 -6.515 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -7.078 -3.168 -8.614 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -8.744 -3.524 -9.027 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -7.848 -0.691 -8.424 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -7.652 -1.382 -10.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -9.722 -0.162 -9.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -10.041 -1.810 -10.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -10.231 -1.140 -8.551 1.00 0.00 H new ATOM 279 N GLU A 23 -7.243 -6.305 -4.427 1.00 0.00 N ATOM 280 CA GLU A 23 -7.290 -7.664 -3.901 1.00 0.00 C ATOM 281 C GLU A 23 -5.897 -8.287 -3.880 1.00 0.00 C ATOM 282 O GLU A 23 -5.092 -8.065 -4.784 1.00 0.00 O ATOM 283 CB GLU A 23 -8.234 -8.527 -4.741 1.00 0.00 C ATOM 284 CG GLU A 23 -7.710 -8.822 -6.136 1.00 0.00 C ATOM 285 CD GLU A 23 -8.642 -9.714 -6.933 1.00 0.00 C ATOM 286 OE1 GLU A 23 -8.612 -10.944 -6.718 1.00 0.00 O ATOM 287 OE2 GLU A 23 -9.400 -9.183 -7.771 1.00 0.00 O ATOM 0 H GLU A 23 -6.395 -6.083 -4.949 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.664 -7.618 -2.878 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -8.410 -9.469 -4.222 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.197 -8.023 -4.823 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.565 -7.884 -6.671 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -6.733 -9.300 -6.060 1.00 0.00 H new ATOM 294 N ALA A 24 -5.621 -9.068 -2.840 1.00 0.00 N ATOM 295 CA ALA A 24 -4.327 -9.725 -2.701 1.00 0.00 C ATOM 296 C ALA A 24 -4.495 -11.215 -2.424 1.00 0.00 C ATOM 297 O ALA A 24 -5.610 -11.736 -2.431 1.00 0.00 O ATOM 298 CB ALA A 24 -3.518 -9.068 -1.593 1.00 0.00 C ATOM 0 H ALA A 24 -6.276 -9.261 -2.082 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.789 -9.616 -3.642 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.554 -9.569 -1.500 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.359 -8.017 -1.833 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.060 -9.147 -0.651 1.00 0.00 H new ATOM 304 N PHE A 25 -3.380 -11.896 -2.181 1.00 0.00 N ATOM 305 CA PHE A 25 -3.403 -13.328 -1.904 1.00 0.00 C ATOM 306 C PHE A 25 -2.355 -13.696 -0.858 1.00 0.00 C ATOM 307 O PHE A 25 -1.450 -12.914 -0.566 1.00 0.00 O ATOM 308 CB PHE A 25 -3.160 -14.122 -3.188 1.00 0.00 C ATOM 309 CG PHE A 25 -4.398 -14.316 -4.017 1.00 0.00 C ATOM 310 CD1 PHE A 25 -4.787 -13.358 -4.939 1.00 0.00 C ATOM 311 CD2 PHE A 25 -5.171 -15.457 -3.875 1.00 0.00 C ATOM 312 CE1 PHE A 25 -5.926 -13.533 -5.702 1.00 0.00 C ATOM 313 CE2 PHE A 25 -6.310 -15.638 -4.636 1.00 0.00 C ATOM 314 CZ PHE A 25 -6.688 -14.676 -5.551 1.00 0.00 C ATOM 0 H PHE A 25 -2.449 -11.479 -2.170 1.00 0.00 H new ATOM 0 HA PHE A 25 -4.388 -13.581 -1.511 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -2.408 -13.608 -3.787 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -2.749 -15.098 -2.930 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -4.193 -12.464 -5.063 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -4.880 -16.214 -3.161 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -6.220 -12.777 -6.415 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -6.904 -16.532 -4.515 1.00 0.00 H new ATOM 0 HZ PHE A 25 -7.577 -14.816 -6.148 1.00 0.00 H new ATOM 324 N THR A 26 -2.485 -14.894 -0.295 1.00 0.00 N ATOM 325 CA THR A 26 -1.551 -15.367 0.719 1.00 0.00 C ATOM 326 C THR A 26 -0.253 -15.856 0.087 1.00 0.00 C ATOM 327 O THR A 26 -0.270 -16.664 -0.841 1.00 0.00 O ATOM 328 CB THR A 26 -2.162 -16.506 1.557 1.00 0.00 C ATOM 329 OG1 THR A 26 -2.510 -17.606 0.709 1.00 0.00 O ATOM 330 CG2 THR A 26 -3.396 -16.025 2.305 1.00 0.00 C ATOM 0 H THR A 26 -3.228 -15.554 -0.524 1.00 0.00 H new ATOM 0 HA THR A 26 -1.337 -14.520 1.371 1.00 0.00 H new ATOM 0 HB THR A 26 -1.419 -16.831 2.285 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.875 -17.658 -0.036 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.810 -16.846 2.890 1.00 0.00 H new ATOM 0 HG22 THR A 26 -3.122 -15.207 2.971 1.00 0.00 H new ATOM 0 HG23 THR A 26 -4.142 -15.676 1.591 1.00 0.00 H new ATOM 338 N ASN A 27 0.871 -15.362 0.595 1.00 0.00 N ATOM 339 CA ASN A 27 2.178 -15.749 0.079 1.00 0.00 C ATOM 340 C ASN A 27 2.327 -15.348 -1.385 1.00 0.00 C ATOM 341 O ASN A 27 3.086 -15.961 -2.135 1.00 0.00 O ATOM 342 CB ASN A 27 2.382 -17.258 0.229 1.00 0.00 C ATOM 343 CG ASN A 27 2.423 -17.695 1.680 1.00 0.00 C ATOM 344 OD1 ASN A 27 1.317 -17.501 2.388 1.00 0.00 O flip ATOM 345 ND2 ASN A 27 3.438 -18.201 2.159 1.00 0.00 N flip ATOM 0 H ASN A 27 0.903 -14.693 1.364 1.00 0.00 H new ATOM 0 HA ASN A 27 2.938 -15.226 0.659 1.00 0.00 H new ATOM 0 HB2 ASN A 27 1.576 -17.783 -0.283 1.00 0.00 H new ATOM 0 HB3 ASN A 27 3.312 -17.546 -0.261 1.00 0.00 H new ATOM 0 HD21 ASN A 27 4.266 -18.331 1.578 1.00 0.00 H new ATOM 0 HD22 ASN A 27 3.451 -18.490 3.137 1.00 0.00 H new ATOM 352 N LYS A 28 1.596 -14.313 -1.786 1.00 0.00 N ATOM 353 CA LYS A 28 1.646 -13.826 -3.159 1.00 0.00 C ATOM 354 C LYS A 28 2.115 -12.376 -3.206 1.00 0.00 C ATOM 355 O LYS A 28 1.813 -11.571 -2.324 1.00 0.00 O ATOM 356 CB LYS A 28 0.269 -13.949 -3.816 1.00 0.00 C ATOM 357 CG LYS A 28 -0.051 -15.352 -4.300 1.00 0.00 C ATOM 358 CD LYS A 28 -0.971 -15.329 -5.509 1.00 0.00 C ATOM 359 CE LYS A 28 -0.186 -15.198 -6.805 1.00 0.00 C ATOM 360 NZ LYS A 28 -1.001 -14.582 -7.888 1.00 0.00 N ATOM 0 H LYS A 28 0.961 -13.795 -1.178 1.00 0.00 H new ATOM 0 HA LYS A 28 2.361 -14.438 -3.709 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.494 -13.637 -3.103 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.216 -13.262 -4.660 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.874 -15.869 -4.555 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.521 -15.917 -3.495 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.565 -16.243 -5.533 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.670 -14.497 -5.420 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.704 -14.593 -6.631 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.156 -16.183 -7.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.430 -14.510 -8.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.837 -15.173 -8.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.306 -13.632 -7.595 1.00 0.00 H new ATOM 374 N PRO A 29 2.872 -12.031 -4.259 1.00 0.00 N ATOM 375 CA PRO A 29 3.397 -10.675 -4.446 1.00 0.00 C ATOM 376 C PRO A 29 2.301 -9.670 -4.780 1.00 0.00 C ATOM 377 O PRO A 29 1.649 -9.770 -5.818 1.00 0.00 O ATOM 378 CB PRO A 29 4.360 -10.828 -5.626 1.00 0.00 C ATOM 379 CG PRO A 29 3.853 -12.010 -6.378 1.00 0.00 C ATOM 380 CD PRO A 29 3.271 -12.938 -5.348 1.00 0.00 C ATOM 0 HA PRO A 29 3.867 -10.291 -3.541 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.366 -9.935 -6.250 1.00 0.00 H new ATOM 0 HB3 PRO A 29 5.383 -10.985 -5.284 1.00 0.00 H new ATOM 0 HG2 PRO A 29 3.099 -11.714 -7.107 1.00 0.00 H new ATOM 0 HG3 PRO A 29 4.658 -12.495 -6.930 1.00 0.00 H new ATOM 0 HD2 PRO A 29 2.419 -13.492 -5.742 1.00 0.00 H new ATOM 0 HD3 PRO A 29 4.002 -13.674 -5.011 1.00 0.00 H new ATOM 388 N ASN A 30 2.103 -8.700 -3.893 1.00 0.00 N ATOM 389 CA ASN A 30 1.085 -7.675 -4.095 1.00 0.00 C ATOM 390 C ASN A 30 1.703 -6.281 -4.061 1.00 0.00 C ATOM 391 O ASN A 30 2.309 -5.882 -3.067 1.00 0.00 O ATOM 392 CB ASN A 30 -0.002 -7.790 -3.024 1.00 0.00 C ATOM 393 CG ASN A 30 -0.238 -9.224 -2.591 1.00 0.00 C ATOM 394 OD1 ASN A 30 -0.981 -9.964 -3.235 1.00 0.00 O ATOM 395 ND2 ASN A 30 0.394 -9.622 -1.493 1.00 0.00 N ATOM 0 H ASN A 30 2.634 -8.602 -3.028 1.00 0.00 H new ATOM 0 HA ASN A 30 0.637 -7.830 -5.077 1.00 0.00 H new ATOM 0 HB2 ASN A 30 0.282 -7.194 -2.157 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -0.932 -7.372 -3.408 1.00 0.00 H new ATOM 0 HD21 ASN A 30 0.273 -10.576 -1.152 1.00 0.00 H new ATOM 0 HD22 ASN A 30 1.001 -8.974 -0.991 1.00 0.00 H new ATOM 402 N VAL A 31 1.544 -5.543 -5.156 1.00 0.00 N ATOM 403 CA VAL A 31 2.084 -4.192 -5.252 1.00 0.00 C ATOM 404 C VAL A 31 1.003 -3.196 -5.658 1.00 0.00 C ATOM 405 O VAL A 31 -0.113 -3.582 -6.007 1.00 0.00 O ATOM 406 CB VAL A 31 3.240 -4.121 -6.268 1.00 0.00 C ATOM 407 CG1 VAL A 31 4.251 -5.225 -6.003 1.00 0.00 C ATOM 408 CG2 VAL A 31 2.705 -4.205 -7.689 1.00 0.00 C ATOM 0 H VAL A 31 1.046 -5.858 -5.988 1.00 0.00 H new ATOM 0 HA VAL A 31 2.462 -3.931 -4.264 1.00 0.00 H new ATOM 0 HB VAL A 31 3.746 -3.163 -6.151 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.060 -5.159 -6.730 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.657 -5.113 -4.997 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.762 -6.195 -6.091 1.00 0.00 H new ATOM 0 HG21 VAL A 31 3.535 -4.153 -8.394 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.174 -5.147 -7.823 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.023 -3.375 -7.871 1.00 0.00 H new ATOM 418 N PHE A 32 1.342 -1.912 -5.610 1.00 0.00 N ATOM 419 CA PHE A 32 0.400 -0.859 -5.972 1.00 0.00 C ATOM 420 C PHE A 32 1.137 0.388 -6.452 1.00 0.00 C ATOM 421 O PHE A 32 2.302 0.604 -6.114 1.00 0.00 O ATOM 422 CB PHE A 32 -0.492 -0.511 -4.779 1.00 0.00 C ATOM 423 CG PHE A 32 0.252 -0.433 -3.477 1.00 0.00 C ATOM 424 CD1 PHE A 32 0.519 -1.580 -2.747 1.00 0.00 C ATOM 425 CD2 PHE A 32 0.684 0.787 -2.983 1.00 0.00 C ATOM 426 CE1 PHE A 32 1.202 -1.511 -1.548 1.00 0.00 C ATOM 427 CE2 PHE A 32 1.369 0.862 -1.784 1.00 0.00 C ATOM 428 CZ PHE A 32 1.629 -0.289 -1.066 1.00 0.00 C ATOM 0 H PHE A 32 2.262 -1.576 -5.324 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.223 -1.228 -6.787 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -0.980 0.445 -4.967 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -1.280 -1.260 -4.694 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.190 -2.539 -3.119 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.484 1.690 -3.541 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.402 -2.412 -0.988 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.700 1.819 -1.410 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.165 -0.234 -0.130 1.00 0.00 H new ATOM 438 N THR A 33 0.450 1.207 -7.242 1.00 0.00 N ATOM 439 CA THR A 33 1.038 2.432 -7.770 1.00 0.00 C ATOM 440 C THR A 33 0.727 3.623 -6.871 1.00 0.00 C ATOM 441 O THR A 33 -0.436 3.921 -6.599 1.00 0.00 O ATOM 442 CB THR A 33 0.531 2.731 -9.193 1.00 0.00 C ATOM 443 OG1 THR A 33 0.755 1.599 -10.041 1.00 0.00 O ATOM 444 CG2 THR A 33 1.231 3.951 -9.773 1.00 0.00 C ATOM 0 H THR A 33 -0.515 1.044 -7.530 1.00 0.00 H new ATOM 0 HA THR A 33 2.116 2.276 -7.802 1.00 0.00 H new ATOM 0 HB THR A 33 -0.538 2.938 -9.137 1.00 0.00 H new ATOM 0 HG1 THR A 33 0.428 1.797 -10.944 1.00 0.00 H new ATOM 0 HG21 THR A 33 0.856 4.142 -10.778 1.00 0.00 H new ATOM 0 HG22 THR A 33 1.034 4.818 -9.142 1.00 0.00 H new ATOM 0 HG23 THR A 33 2.305 3.769 -9.815 1.00 0.00 H new ATOM 452 N VAL A 34 1.774 4.302 -6.413 1.00 0.00 N ATOM 453 CA VAL A 34 1.612 5.463 -5.546 1.00 0.00 C ATOM 454 C VAL A 34 2.152 6.725 -6.210 1.00 0.00 C ATOM 455 O VAL A 34 3.359 6.865 -6.412 1.00 0.00 O ATOM 456 CB VAL A 34 2.326 5.260 -4.197 1.00 0.00 C ATOM 457 CG1 VAL A 34 2.181 6.497 -3.324 1.00 0.00 C ATOM 458 CG2 VAL A 34 1.783 4.029 -3.486 1.00 0.00 C ATOM 0 H VAL A 34 2.743 4.068 -6.628 1.00 0.00 H new ATOM 0 HA VAL A 34 0.543 5.579 -5.369 1.00 0.00 H new ATOM 0 HB VAL A 34 3.387 5.102 -4.388 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.692 6.335 -2.375 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.623 7.354 -3.832 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.124 6.690 -3.139 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.299 3.901 -2.535 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.715 4.154 -3.306 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.945 3.149 -4.108 1.00 0.00 H new ATOM 468 N VAL A 35 1.251 7.642 -6.546 1.00 0.00 N ATOM 469 CA VAL A 35 1.637 8.894 -7.186 1.00 0.00 C ATOM 470 C VAL A 35 1.907 9.980 -6.151 1.00 0.00 C ATOM 471 O VAL A 35 0.992 10.448 -5.472 1.00 0.00 O ATOM 472 CB VAL A 35 0.549 9.386 -8.159 1.00 0.00 C ATOM 473 CG1 VAL A 35 0.977 10.684 -8.827 1.00 0.00 C ATOM 474 CG2 VAL A 35 0.241 8.318 -9.198 1.00 0.00 C ATOM 0 H VAL A 35 0.249 7.542 -6.386 1.00 0.00 H new ATOM 0 HA VAL A 35 2.551 8.695 -7.746 1.00 0.00 H new ATOM 0 HB VAL A 35 -0.361 9.581 -7.591 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.196 11.016 -9.511 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.142 11.447 -8.067 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.900 10.520 -9.383 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.530 8.683 -9.877 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.144 8.089 -9.764 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.113 7.416 -8.699 1.00 0.00 H new ATOM 484 N THR A 36 3.170 10.378 -6.034 1.00 0.00 N ATOM 485 CA THR A 36 3.562 11.409 -5.081 1.00 0.00 C ATOM 486 C THR A 36 4.221 12.589 -5.787 1.00 0.00 C ATOM 487 O THR A 36 5.061 13.279 -5.209 1.00 0.00 O ATOM 488 CB THR A 36 4.530 10.854 -4.020 1.00 0.00 C ATOM 489 OG1 THR A 36 5.796 10.557 -4.619 1.00 0.00 O ATOM 490 CG2 THR A 36 3.962 9.600 -3.373 1.00 0.00 C ATOM 0 H THR A 36 3.939 10.002 -6.588 1.00 0.00 H new ATOM 0 HA THR A 36 2.650 11.747 -4.589 1.00 0.00 H new ATOM 0 HB THR A 36 4.663 11.613 -3.249 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.406 10.206 -3.937 1.00 0.00 H new ATOM 0 HG21 THR A 36 4.663 9.226 -2.627 1.00 0.00 H new ATOM 0 HG22 THR A 36 3.013 9.837 -2.892 1.00 0.00 H new ATOM 0 HG23 THR A 36 3.802 8.838 -4.135 1.00 0.00 H new ATOM 579 N LEU A 44 8.301 8.619 3.105 1.00 0.00 N ATOM 580 CA LEU A 44 7.122 7.795 2.864 1.00 0.00 C ATOM 581 C LEU A 44 7.154 6.534 3.721 1.00 0.00 C ATOM 582 O LEU A 44 8.148 5.810 3.740 1.00 0.00 O ATOM 583 CB LEU A 44 7.033 7.418 1.384 1.00 0.00 C ATOM 584 CG LEU A 44 5.881 6.490 0.996 1.00 0.00 C ATOM 585 CD1 LEU A 44 4.574 7.264 0.923 1.00 0.00 C ATOM 586 CD2 LEU A 44 6.171 5.805 -0.331 1.00 0.00 C ATOM 0 HA LEU A 44 6.241 8.376 3.138 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.947 8.335 0.801 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.970 6.942 1.094 1.00 0.00 H new ATOM 0 HG LEU A 44 5.784 5.723 1.764 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.766 6.588 0.646 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.359 7.707 1.895 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.660 8.053 0.176 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.340 5.149 -0.591 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.296 6.558 -1.109 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.085 5.217 -0.245 1.00 0.00 H new ATOM 598 N GLY A 45 6.058 6.277 4.428 1.00 0.00 N ATOM 599 CA GLY A 45 5.981 5.101 5.276 1.00 0.00 C ATOM 600 C GLY A 45 4.789 4.225 4.945 1.00 0.00 C ATOM 601 O GLY A 45 3.661 4.527 5.334 1.00 0.00 O ATOM 0 H GLY A 45 5.222 6.862 4.429 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.896 4.519 5.169 1.00 0.00 H new ATOM 0 HA3 GLY A 45 5.921 5.412 6.319 1.00 0.00 H new ATOM 605 N ILE A 46 5.039 3.137 4.223 1.00 0.00 N ATOM 606 CA ILE A 46 3.977 2.215 3.840 1.00 0.00 C ATOM 607 C ILE A 46 4.078 0.908 4.618 1.00 0.00 C ATOM 608 O ILE A 46 4.968 0.093 4.372 1.00 0.00 O ATOM 609 CB ILE A 46 4.017 1.907 2.331 1.00 0.00 C ATOM 610 CG1 ILE A 46 3.784 3.184 1.521 1.00 0.00 C ATOM 611 CG2 ILE A 46 2.978 0.853 1.979 1.00 0.00 C ATOM 612 CD1 ILE A 46 3.877 2.976 0.026 1.00 0.00 C ATOM 0 H ILE A 46 5.967 2.873 3.892 1.00 0.00 H new ATOM 0 HA ILE A 46 3.032 2.704 4.078 1.00 0.00 H new ATOM 0 HB ILE A 46 5.003 1.516 2.081 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.799 3.584 1.764 1.00 0.00 H new ATOM 0 HG13 ILE A 46 4.516 3.934 1.822 1.00 0.00 H new ATOM 0 HG21 ILE A 46 3.018 0.646 0.910 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.185 -0.062 2.534 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.985 1.219 2.241 1.00 0.00 H new ATOM 0 HD11 ILE A 46 3.701 3.923 -0.485 1.00 0.00 H new ATOM 0 HD12 ILE A 46 4.870 2.605 -0.229 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.127 2.250 -0.288 1.00 0.00 H new ATOM 624 N THR A 47 3.157 0.711 5.556 1.00 0.00 N ATOM 625 CA THR A 47 3.141 -0.498 6.370 1.00 0.00 C ATOM 626 C THR A 47 1.847 -1.278 6.169 1.00 0.00 C ATOM 627 O THR A 47 0.879 -0.763 5.608 1.00 0.00 O ATOM 628 CB THR A 47 3.302 -0.170 7.866 1.00 0.00 C ATOM 629 OG1 THR A 47 2.440 0.915 8.226 1.00 0.00 O ATOM 630 CG2 THR A 47 4.744 0.193 8.188 1.00 0.00 C ATOM 0 H THR A 47 2.412 1.374 5.771 1.00 0.00 H new ATOM 0 HA THR A 47 3.984 -1.108 6.047 1.00 0.00 H new ATOM 0 HB THR A 47 3.029 -1.055 8.440 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.548 1.116 9.179 1.00 0.00 H new ATOM 0 HG21 THR A 47 4.833 0.421 9.250 1.00 0.00 H new ATOM 0 HG22 THR A 47 5.394 -0.646 7.941 1.00 0.00 H new ATOM 0 HG23 THR A 47 5.039 1.065 7.604 1.00 0.00 H new ATOM 638 N VAL A 48 1.835 -2.525 6.631 1.00 0.00 N ATOM 639 CA VAL A 48 0.658 -3.376 6.504 1.00 0.00 C ATOM 640 C VAL A 48 0.339 -4.074 7.821 1.00 0.00 C ATOM 641 O VAL A 48 1.232 -4.588 8.494 1.00 0.00 O ATOM 642 CB VAL A 48 0.851 -4.439 5.406 1.00 0.00 C ATOM 643 CG1 VAL A 48 -0.318 -5.412 5.394 1.00 0.00 C ATOM 644 CG2 VAL A 48 1.019 -3.777 4.047 1.00 0.00 C ATOM 0 H VAL A 48 2.627 -2.968 7.096 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.174 -2.727 6.230 1.00 0.00 H new ATOM 0 HB VAL A 48 1.759 -5.002 5.625 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.164 -6.156 4.612 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.386 -5.911 6.361 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.242 -4.868 5.201 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.154 -4.543 3.283 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.131 -3.188 3.817 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.892 -3.125 4.065 1.00 0.00 H new ATOM 654 N GLU A 49 -0.940 -4.087 8.183 1.00 0.00 N ATOM 655 CA GLU A 49 -1.376 -4.722 9.421 1.00 0.00 C ATOM 656 C GLU A 49 -2.365 -5.849 9.136 1.00 0.00 C ATOM 657 O GLU A 49 -3.125 -5.793 8.170 1.00 0.00 O ATOM 658 CB GLU A 49 -2.017 -3.690 10.351 1.00 0.00 C ATOM 659 CG GLU A 49 -1.025 -3.004 11.276 1.00 0.00 C ATOM 660 CD GLU A 49 -0.706 -3.832 12.506 1.00 0.00 C ATOM 661 OE1 GLU A 49 -0.076 -4.899 12.355 1.00 0.00 O ATOM 662 OE2 GLU A 49 -1.087 -3.413 13.618 1.00 0.00 O ATOM 0 H GLU A 49 -1.692 -3.666 7.637 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.499 -5.146 9.910 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.521 -2.934 9.749 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.782 -4.181 10.952 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.104 -2.802 10.729 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.429 -2.040 11.586 1.00 0.00 H new ATOM 669 N GLY A 50 -2.347 -6.873 9.984 1.00 0.00 N ATOM 670 CA GLY A 50 -3.245 -7.999 9.806 1.00 0.00 C ATOM 671 C GLY A 50 -2.944 -9.137 10.762 1.00 0.00 C ATOM 672 O GLY A 50 -2.197 -8.983 11.729 1.00 0.00 O ATOM 0 H GLY A 50 -1.727 -6.943 10.791 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -4.273 -7.667 9.953 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -3.171 -8.361 8.780 1.00 0.00 H new ATOM 676 N PRO A 51 -3.537 -10.310 10.497 1.00 0.00 N ATOM 677 CA PRO A 51 -3.345 -11.500 11.330 1.00 0.00 C ATOM 678 C PRO A 51 -1.937 -12.073 11.208 1.00 0.00 C ATOM 679 O PRO A 51 -1.586 -13.033 11.893 1.00 0.00 O ATOM 680 CB PRO A 51 -4.374 -12.490 10.778 1.00 0.00 C ATOM 681 CG PRO A 51 -4.594 -12.061 9.368 1.00 0.00 C ATOM 682 CD PRO A 51 -4.440 -10.565 9.362 1.00 0.00 C ATOM 0 HA PRO A 51 -3.471 -11.279 12.390 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -4.004 -13.514 10.827 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -5.301 -12.458 11.351 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -3.872 -12.530 8.700 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -5.585 -12.353 9.021 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -4.016 -10.209 8.423 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -5.398 -10.062 9.490 1.00 0.00 H new ATOM 690 N SER A 52 -1.135 -11.476 10.332 1.00 0.00 N ATOM 691 CA SER A 52 0.235 -11.929 10.118 1.00 0.00 C ATOM 692 C SER A 52 1.097 -10.805 9.552 1.00 0.00 C ATOM 693 O SER A 52 0.607 -9.937 8.830 1.00 0.00 O ATOM 694 CB SER A 52 0.255 -13.129 9.170 1.00 0.00 C ATOM 695 OG SER A 52 0.046 -12.723 7.828 1.00 0.00 O ATOM 0 H SER A 52 -1.410 -10.678 9.759 1.00 0.00 H new ATOM 0 HA SER A 52 0.647 -12.229 11.082 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.211 -13.645 9.252 1.00 0.00 H new ATOM 0 HB3 SER A 52 -0.517 -13.840 9.462 1.00 0.00 H new ATOM 0 HG SER A 52 -0.749 -12.152 7.779 1.00 0.00 H new ATOM 701 N GLU A 53 2.383 -10.828 9.887 1.00 0.00 N ATOM 702 CA GLU A 53 3.313 -9.810 9.413 1.00 0.00 C ATOM 703 C GLU A 53 3.695 -10.058 7.956 1.00 0.00 C ATOM 704 O GLU A 53 4.365 -11.040 7.637 1.00 0.00 O ATOM 705 CB GLU A 53 4.570 -9.790 10.285 1.00 0.00 C ATOM 706 CG GLU A 53 5.458 -8.581 10.045 1.00 0.00 C ATOM 707 CD GLU A 53 6.922 -8.869 10.316 1.00 0.00 C ATOM 708 OE1 GLU A 53 7.512 -9.688 9.580 1.00 0.00 O ATOM 709 OE2 GLU A 53 7.478 -8.275 11.263 1.00 0.00 O ATOM 0 H GLU A 53 2.804 -11.540 10.484 1.00 0.00 H new ATOM 0 HA GLU A 53 2.817 -8.842 9.481 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.275 -9.811 11.334 1.00 0.00 H new ATOM 0 HB3 GLU A 53 5.146 -10.696 10.098 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.342 -8.249 9.013 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.129 -7.761 10.683 1.00 0.00 H new ATOM 716 N SER A 54 3.263 -9.160 7.076 1.00 0.00 N ATOM 717 CA SER A 54 3.555 -9.282 5.653 1.00 0.00 C ATOM 718 C SER A 54 4.929 -8.703 5.328 1.00 0.00 C ATOM 719 O SER A 54 5.347 -7.702 5.910 1.00 0.00 O ATOM 720 CB SER A 54 2.481 -8.571 4.827 1.00 0.00 C ATOM 721 OG SER A 54 1.190 -9.067 5.135 1.00 0.00 O ATOM 0 H SER A 54 2.709 -8.340 7.324 1.00 0.00 H new ATOM 0 HA SER A 54 3.557 -10.342 5.398 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.518 -7.499 5.022 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.683 -8.709 3.765 1.00 0.00 H new ATOM 0 HG SER A 54 0.521 -8.596 4.596 1.00 0.00 H new ATOM 727 N LYS A 55 5.627 -9.340 4.394 1.00 0.00 N ATOM 728 CA LYS A 55 6.953 -8.889 3.989 1.00 0.00 C ATOM 729 C LYS A 55 6.857 -7.701 3.038 1.00 0.00 C ATOM 730 O LYS A 55 6.670 -7.872 1.833 1.00 0.00 O ATOM 731 CB LYS A 55 7.720 -10.032 3.319 1.00 0.00 C ATOM 732 CG LYS A 55 8.509 -10.889 4.293 1.00 0.00 C ATOM 733 CD LYS A 55 9.713 -11.529 3.624 1.00 0.00 C ATOM 734 CE LYS A 55 9.360 -12.878 3.015 1.00 0.00 C ATOM 735 NZ LYS A 55 9.549 -13.991 3.986 1.00 0.00 N ATOM 0 H LYS A 55 5.296 -10.171 3.903 1.00 0.00 H new ATOM 0 HA LYS A 55 7.491 -8.573 4.883 1.00 0.00 H new ATOM 0 HB2 LYS A 55 7.015 -10.665 2.780 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.403 -9.615 2.579 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.840 -10.277 5.132 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.863 -11.666 4.701 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.094 -10.866 2.847 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.512 -11.656 4.355 1.00 0.00 H new ATOM 0 HE2 LYS A 55 8.324 -12.864 2.676 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.981 -13.053 2.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 8.972 -14.806 3.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 10.552 -14.266 4.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.255 -13.679 4.933 1.00 0.00 H new ATOM 749 N ILE A 56 6.987 -6.498 3.587 1.00 0.00 N ATOM 750 CA ILE A 56 6.917 -5.282 2.786 1.00 0.00 C ATOM 751 C ILE A 56 8.293 -4.892 2.257 1.00 0.00 C ATOM 752 O ILE A 56 9.307 -5.103 2.921 1.00 0.00 O ATOM 753 CB ILE A 56 6.340 -4.106 3.597 1.00 0.00 C ATOM 754 CG1 ILE A 56 4.833 -4.284 3.791 1.00 0.00 C ATOM 755 CG2 ILE A 56 6.638 -2.786 2.901 1.00 0.00 C ATOM 756 CD1 ILE A 56 4.244 -3.356 4.831 1.00 0.00 C ATOM 0 H ILE A 56 7.141 -6.339 4.583 1.00 0.00 H new ATOM 0 HA ILE A 56 6.254 -5.495 1.947 1.00 0.00 H new ATOM 0 HB ILE A 56 6.815 -4.092 4.578 1.00 0.00 H new ATOM 0 HG12 ILE A 56 4.330 -4.116 2.839 1.00 0.00 H new ATOM 0 HG13 ILE A 56 4.631 -5.315 4.080 1.00 0.00 H new ATOM 0 HG21 ILE A 56 6.224 -1.965 3.486 1.00 0.00 H new ATOM 0 HG22 ILE A 56 7.717 -2.659 2.809 1.00 0.00 H new ATOM 0 HG23 ILE A 56 6.187 -2.788 1.909 1.00 0.00 H new ATOM 0 HD11 ILE A 56 3.173 -3.538 4.916 1.00 0.00 H new ATOM 0 HD12 ILE A 56 4.720 -3.540 5.794 1.00 0.00 H new ATOM 0 HD13 ILE A 56 4.414 -2.321 4.533 1.00 0.00 H new ATOM 768 N ASN A 57 8.320 -4.322 1.057 1.00 0.00 N ATOM 769 CA ASN A 57 9.572 -3.901 0.438 1.00 0.00 C ATOM 770 C ASN A 57 9.364 -2.656 -0.419 1.00 0.00 C ATOM 771 O ASN A 57 8.645 -2.691 -1.417 1.00 0.00 O ATOM 772 CB ASN A 57 10.147 -5.032 -0.417 1.00 0.00 C ATOM 773 CG ASN A 57 10.783 -6.125 0.421 1.00 0.00 C ATOM 774 OD1 ASN A 57 11.877 -5.953 0.959 1.00 0.00 O ATOM 775 ND2 ASN A 57 10.098 -7.257 0.535 1.00 0.00 N ATOM 0 H ASN A 57 7.489 -4.141 0.494 1.00 0.00 H new ATOM 0 HA ASN A 57 10.278 -3.659 1.232 1.00 0.00 H new ATOM 0 HB2 ASN A 57 9.353 -5.462 -1.028 1.00 0.00 H new ATOM 0 HB3 ASN A 57 10.890 -4.624 -1.102 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.475 -8.028 1.086 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.195 -7.355 0.072 1.00 0.00 H new ATOM 782 N CYS A 58 9.999 -1.559 -0.021 1.00 0.00 N ATOM 783 CA CYS A 58 9.884 -0.302 -0.752 1.00 0.00 C ATOM 784 C CYS A 58 10.890 -0.245 -1.897 1.00 0.00 C ATOM 785 O CYS A 58 11.995 -0.776 -1.792 1.00 0.00 O ATOM 786 CB CYS A 58 10.099 0.882 0.191 1.00 0.00 C ATOM 787 SG CYS A 58 11.718 0.900 0.997 1.00 0.00 S ATOM 0 H CYS A 58 10.598 -1.515 0.803 1.00 0.00 H new ATOM 0 HA CYS A 58 8.880 -0.245 -1.172 1.00 0.00 H new ATOM 0 HB2 CYS A 58 9.975 1.808 -0.371 1.00 0.00 H new ATOM 0 HB3 CYS A 58 9.324 0.868 0.957 1.00 0.00 H new ATOM 0 HG CYS A 58 12.568 0.227 0.279 1.00 0.00 H new ATOM 895 N CYS A 66 6.239 6.119 -6.509 1.00 0.00 N ATOM 896 CA CYS A 66 6.810 5.191 -5.539 1.00 0.00 C ATOM 897 C CYS A 66 6.148 3.821 -5.643 1.00 0.00 C ATOM 898 O CYS A 66 4.957 3.716 -5.936 1.00 0.00 O ATOM 899 CB CYS A 66 6.651 5.741 -4.121 1.00 0.00 C ATOM 900 SG CYS A 66 7.954 6.893 -3.625 1.00 0.00 S ATOM 0 HA CYS A 66 7.871 5.080 -5.761 1.00 0.00 H new ATOM 0 HB2 CYS A 66 5.687 6.244 -4.044 1.00 0.00 H new ATOM 0 HB3 CYS A 66 6.632 4.907 -3.419 1.00 0.00 H new ATOM 0 HG CYS A 66 7.537 7.616 -2.628 1.00 0.00 H new ATOM 906 N SER A 67 6.929 2.772 -5.402 1.00 0.00 N ATOM 907 CA SER A 67 6.420 1.408 -5.474 1.00 0.00 C ATOM 908 C SER A 67 6.517 0.720 -4.116 1.00 0.00 C ATOM 909 O SER A 67 7.518 0.848 -3.413 1.00 0.00 O ATOM 910 CB SER A 67 7.197 0.606 -6.521 1.00 0.00 C ATOM 911 OG SER A 67 6.653 0.797 -7.816 1.00 0.00 O ATOM 0 H SER A 67 7.916 2.841 -5.155 1.00 0.00 H new ATOM 0 HA SER A 67 5.371 1.453 -5.765 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.244 0.911 -6.514 1.00 0.00 H new ATOM 0 HB3 SER A 67 7.172 -0.453 -6.265 1.00 0.00 H new ATOM 0 HG SER A 67 7.168 0.276 -8.467 1.00 0.00 H new ATOM 917 N ALA A 68 5.467 -0.011 -3.755 1.00 0.00 N ATOM 918 CA ALA A 68 5.433 -0.722 -2.482 1.00 0.00 C ATOM 919 C ALA A 68 4.819 -2.108 -2.644 1.00 0.00 C ATOM 920 O ALA A 68 3.665 -2.242 -3.048 1.00 0.00 O ATOM 921 CB ALA A 68 4.659 0.083 -1.449 1.00 0.00 C ATOM 0 H ALA A 68 4.629 -0.126 -4.325 1.00 0.00 H new ATOM 0 HA ALA A 68 6.459 -0.846 -2.135 1.00 0.00 H new ATOM 0 HB1 ALA A 68 4.641 -0.459 -0.504 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.142 1.049 -1.304 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.638 0.237 -1.798 1.00 0.00 H new ATOM 927 N GLU A 69 5.600 -3.137 -2.327 1.00 0.00 N ATOM 928 CA GLU A 69 5.132 -4.513 -2.439 1.00 0.00 C ATOM 929 C GLU A 69 5.045 -5.172 -1.066 1.00 0.00 C ATOM 930 O GLU A 69 5.767 -4.800 -0.140 1.00 0.00 O ATOM 931 CB GLU A 69 6.064 -5.320 -3.346 1.00 0.00 C ATOM 932 CG GLU A 69 7.510 -5.328 -2.880 1.00 0.00 C ATOM 933 CD GLU A 69 8.316 -4.182 -3.459 1.00 0.00 C ATOM 934 OE1 GLU A 69 7.700 -3.206 -3.938 1.00 0.00 O ATOM 935 OE2 GLU A 69 9.562 -4.260 -3.435 1.00 0.00 O ATOM 0 H GLU A 69 6.558 -3.043 -1.991 1.00 0.00 H new ATOM 0 HA GLU A 69 4.135 -4.495 -2.878 1.00 0.00 H new ATOM 0 HB2 GLU A 69 5.703 -6.347 -3.402 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.019 -4.911 -4.355 1.00 0.00 H new ATOM 0 HG2 GLU A 69 7.537 -5.273 -1.792 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.974 -6.273 -3.163 1.00 0.00 H new ATOM 942 N TYR A 70 4.156 -6.151 -0.941 1.00 0.00 N ATOM 943 CA TYR A 70 3.972 -6.861 0.319 1.00 0.00 C ATOM 944 C TYR A 70 3.515 -8.296 0.075 1.00 0.00 C ATOM 945 O TYR A 70 2.886 -8.594 -0.940 1.00 0.00 O ATOM 946 CB TYR A 70 2.951 -6.131 1.195 1.00 0.00 C ATOM 947 CG TYR A 70 1.538 -6.199 0.662 1.00 0.00 C ATOM 948 CD1 TYR A 70 0.701 -7.258 0.991 1.00 0.00 C ATOM 949 CD2 TYR A 70 1.039 -5.203 -0.169 1.00 0.00 C ATOM 950 CE1 TYR A 70 -0.591 -7.324 0.506 1.00 0.00 C ATOM 951 CE2 TYR A 70 -0.252 -5.261 -0.658 1.00 0.00 C ATOM 952 CZ TYR A 70 -1.063 -6.323 -0.318 1.00 0.00 C ATOM 953 OH TYR A 70 -2.349 -6.385 -0.802 1.00 0.00 O ATOM 0 H TYR A 70 3.551 -6.471 -1.697 1.00 0.00 H new ATOM 0 HA TYR A 70 4.932 -6.888 0.835 1.00 0.00 H new ATOM 0 HB2 TYR A 70 2.973 -6.558 2.197 1.00 0.00 H new ATOM 0 HB3 TYR A 70 3.246 -5.086 1.288 1.00 0.00 H new ATOM 0 HD1 TYR A 70 1.066 -8.043 1.637 1.00 0.00 H new ATOM 0 HD2 TYR A 70 1.671 -4.369 -0.437 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -1.228 -8.155 0.771 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -0.624 -4.479 -1.303 1.00 0.00 H new ATOM 0 HH TYR A 70 -2.652 -5.484 -1.041 1.00 0.00 H new ATOM 963 N ILE A 71 3.836 -9.179 1.014 1.00 0.00 N ATOM 964 CA ILE A 71 3.458 -10.583 0.903 1.00 0.00 C ATOM 965 C ILE A 71 3.022 -11.143 2.252 1.00 0.00 C ATOM 966 O ILE A 71 3.838 -11.413 3.134 1.00 0.00 O ATOM 967 CB ILE A 71 4.618 -11.436 0.356 1.00 0.00 C ATOM 968 CG1 ILE A 71 5.012 -10.963 -1.045 1.00 0.00 C ATOM 969 CG2 ILE A 71 4.228 -12.907 0.334 1.00 0.00 C ATOM 970 CD1 ILE A 71 6.398 -11.401 -1.463 1.00 0.00 C ATOM 0 H ILE A 71 4.357 -8.948 1.860 1.00 0.00 H new ATOM 0 HA ILE A 71 2.622 -10.631 0.205 1.00 0.00 H new ATOM 0 HB ILE A 71 5.479 -11.317 1.014 1.00 0.00 H new ATOM 0 HG12 ILE A 71 4.287 -11.343 -1.765 1.00 0.00 H new ATOM 0 HG13 ILE A 71 4.957 -9.875 -1.081 1.00 0.00 H new ATOM 0 HG21 ILE A 71 5.058 -13.498 -0.055 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.991 -13.236 1.346 1.00 0.00 H new ATOM 0 HG23 ILE A 71 3.355 -13.043 -0.305 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.610 -11.030 -2.466 1.00 0.00 H new ATOM 0 HD12 ILE A 71 7.133 -10.999 -0.765 1.00 0.00 H new ATOM 0 HD13 ILE A 71 6.452 -12.490 -1.460 1.00 0.00 H new ATOM 982 N PRO A 72 1.703 -11.324 2.419 1.00 0.00 N ATOM 983 CA PRO A 72 1.128 -11.857 3.658 1.00 0.00 C ATOM 984 C PRO A 72 1.456 -13.332 3.862 1.00 0.00 C ATOM 985 O PRO A 72 2.036 -13.976 2.988 1.00 0.00 O ATOM 986 CB PRO A 72 -0.378 -11.666 3.459 1.00 0.00 C ATOM 987 CG PRO A 72 -0.567 -11.654 1.982 1.00 0.00 C ATOM 988 CD PRO A 72 0.673 -11.024 1.411 1.00 0.00 C ATOM 0 HA PRO A 72 1.523 -11.354 4.541 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -0.944 -12.473 3.924 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -0.722 -10.735 3.910 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -0.703 -12.665 1.598 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -1.456 -11.086 1.707 1.00 0.00 H new ATOM 0 HD2 PRO A 72 0.927 -11.446 0.439 1.00 0.00 H new ATOM 0 HD3 PRO A 72 0.550 -9.950 1.270 1.00 0.00 H new ATOM 996 N PHE A 73 1.081 -13.861 5.022 1.00 0.00 N ATOM 997 CA PHE A 73 1.336 -15.261 5.341 1.00 0.00 C ATOM 998 C PHE A 73 0.046 -15.972 5.739 1.00 0.00 C ATOM 999 O PHE A 73 0.003 -17.198 5.833 1.00 0.00 O ATOM 1000 CB PHE A 73 2.361 -15.370 6.471 1.00 0.00 C ATOM 1001 CG PHE A 73 3.735 -14.906 6.081 1.00 0.00 C ATOM 1002 CD1 PHE A 73 4.494 -15.630 5.175 1.00 0.00 C ATOM 1003 CD2 PHE A 73 4.269 -13.746 6.619 1.00 0.00 C ATOM 1004 CE1 PHE A 73 5.759 -15.206 4.814 1.00 0.00 C ATOM 1005 CE2 PHE A 73 5.533 -13.317 6.261 1.00 0.00 C ATOM 1006 CZ PHE A 73 6.279 -14.047 5.357 1.00 0.00 C ATOM 0 H PHE A 73 0.600 -13.342 5.756 1.00 0.00 H new ATOM 0 HA PHE A 73 1.736 -15.744 4.449 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.016 -14.783 7.322 1.00 0.00 H new ATOM 0 HB3 PHE A 73 2.417 -16.407 6.801 1.00 0.00 H new ATOM 0 HD1 PHE A 73 4.092 -16.536 4.746 1.00 0.00 H new ATOM 0 HD2 PHE A 73 3.691 -13.170 7.326 1.00 0.00 H new ATOM 0 HE1 PHE A 73 6.340 -15.780 4.108 1.00 0.00 H new ATOM 0 HE2 PHE A 73 5.937 -12.411 6.688 1.00 0.00 H new ATOM 0 HZ PHE A 73 7.267 -13.713 5.075 1.00 0.00 H new ATOM 1016 N ALA A 74 -1.004 -15.192 5.974 1.00 0.00 N ATOM 1017 CA ALA A 74 -2.296 -15.745 6.361 1.00 0.00 C ATOM 1018 C ALA A 74 -3.442 -14.919 5.787 1.00 0.00 C ATOM 1019 O ALA A 74 -3.370 -13.693 5.695 1.00 0.00 O ATOM 1020 CB ALA A 74 -2.405 -15.821 7.877 1.00 0.00 C ATOM 0 H ALA A 74 -0.985 -14.175 5.903 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.369 -16.752 5.951 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -3.375 -16.236 8.152 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.613 -16.460 8.267 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.305 -14.821 8.300 1.00 0.00 H new ATOM 1026 N PRO A 75 -4.525 -15.603 5.390 1.00 0.00 N ATOM 1027 CA PRO A 75 -5.707 -14.951 4.818 1.00 0.00 C ATOM 1028 C PRO A 75 -6.478 -14.138 5.852 1.00 0.00 C ATOM 1029 O PRO A 75 -6.532 -14.500 7.026 1.00 0.00 O ATOM 1030 CB PRO A 75 -6.554 -16.126 4.321 1.00 0.00 C ATOM 1031 CG PRO A 75 -6.138 -17.278 5.169 1.00 0.00 C ATOM 1032 CD PRO A 75 -4.680 -17.065 5.470 1.00 0.00 C ATOM 0 HA PRO A 75 -5.442 -14.238 4.037 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -7.619 -15.920 4.428 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -6.373 -16.326 3.265 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -6.724 -17.319 6.087 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -6.295 -18.223 4.648 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -4.414 -17.444 6.457 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -4.042 -17.577 4.749 1.00 0.00 H new ATOM 1040 N GLY A 76 -7.075 -13.036 5.407 1.00 0.00 N ATOM 1041 CA GLY A 76 -7.836 -12.189 6.306 1.00 0.00 C ATOM 1042 C GLY A 76 -7.945 -10.763 5.806 1.00 0.00 C ATOM 1043 O GLY A 76 -7.621 -10.475 4.654 1.00 0.00 O ATOM 0 H GLY A 76 -7.045 -12.715 4.439 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -8.836 -12.604 6.432 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -7.364 -12.191 7.289 1.00 0.00 H new ATOM 1047 N ASP A 77 -8.404 -9.867 6.673 1.00 0.00 N ATOM 1048 CA ASP A 77 -8.555 -8.462 6.313 1.00 0.00 C ATOM 1049 C ASP A 77 -7.325 -7.660 6.724 1.00 0.00 C ATOM 1050 O ASP A 77 -7.030 -7.520 7.911 1.00 0.00 O ATOM 1051 CB ASP A 77 -9.805 -7.877 6.973 1.00 0.00 C ATOM 1052 CG ASP A 77 -9.673 -7.782 8.481 1.00 0.00 C ATOM 1053 OD1 ASP A 77 -9.100 -6.784 8.964 1.00 0.00 O ATOM 1054 OD2 ASP A 77 -10.143 -8.707 9.176 1.00 0.00 O ATOM 0 H ASP A 77 -8.678 -10.089 7.630 1.00 0.00 H new ATOM 0 HA ASP A 77 -8.661 -8.399 5.230 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -9.997 -6.885 6.565 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -10.667 -8.496 6.725 1.00 0.00 H new ATOM 1059 N TYR A 78 -6.609 -7.136 5.735 1.00 0.00 N ATOM 1060 CA TYR A 78 -5.408 -6.351 5.993 1.00 0.00 C ATOM 1061 C TYR A 78 -5.660 -4.869 5.733 1.00 0.00 C ATOM 1062 O TYR A 78 -6.490 -4.505 4.900 1.00 0.00 O ATOM 1063 CB TYR A 78 -4.254 -6.844 5.119 1.00 0.00 C ATOM 1064 CG TYR A 78 -3.681 -8.171 5.565 1.00 0.00 C ATOM 1065 CD1 TYR A 78 -4.418 -9.342 5.445 1.00 0.00 C ATOM 1066 CD2 TYR A 78 -2.404 -8.252 6.106 1.00 0.00 C ATOM 1067 CE1 TYR A 78 -3.899 -10.557 5.851 1.00 0.00 C ATOM 1068 CE2 TYR A 78 -1.877 -9.462 6.513 1.00 0.00 C ATOM 1069 CZ TYR A 78 -2.628 -10.612 6.384 1.00 0.00 C ATOM 1070 OH TYR A 78 -2.107 -11.819 6.790 1.00 0.00 O ATOM 0 H TYR A 78 -6.840 -7.241 4.747 1.00 0.00 H new ATOM 0 HA TYR A 78 -5.140 -6.477 7.042 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -4.602 -6.935 4.090 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -3.461 -6.096 5.122 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -5.413 -9.303 5.027 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -1.813 -7.354 6.210 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -4.485 -11.458 5.751 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -0.882 -9.508 6.930 1.00 0.00 H new ATOM 0 HH TYR A 78 -2.669 -12.548 6.453 1.00 0.00 H new ATOM 1080 N ASP A 79 -4.937 -4.018 6.453 1.00 0.00 N ATOM 1081 CA ASP A 79 -5.079 -2.574 6.301 1.00 0.00 C ATOM 1082 C ASP A 79 -3.742 -1.931 5.949 1.00 0.00 C ATOM 1083 O ASP A 79 -2.819 -1.907 6.763 1.00 0.00 O ATOM 1084 CB ASP A 79 -5.634 -1.957 7.585 1.00 0.00 C ATOM 1085 CG ASP A 79 -7.149 -1.989 7.635 1.00 0.00 C ATOM 1086 OD1 ASP A 79 -7.717 -3.099 7.689 1.00 0.00 O ATOM 1087 OD2 ASP A 79 -7.767 -0.903 7.621 1.00 0.00 O ATOM 0 H ASP A 79 -4.247 -4.303 7.148 1.00 0.00 H new ATOM 0 HA ASP A 79 -5.778 -2.386 5.486 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -5.234 -2.494 8.445 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -5.292 -0.925 7.666 1.00 0.00 H new ATOM 1092 N VAL A 80 -3.644 -1.409 4.730 1.00 0.00 N ATOM 1093 CA VAL A 80 -2.420 -0.765 4.269 1.00 0.00 C ATOM 1094 C VAL A 80 -2.298 0.647 4.830 1.00 0.00 C ATOM 1095 O VAL A 80 -3.037 1.548 4.435 1.00 0.00 O ATOM 1096 CB VAL A 80 -2.363 -0.702 2.731 1.00 0.00 C ATOM 1097 CG1 VAL A 80 -1.031 -0.132 2.269 1.00 0.00 C ATOM 1098 CG2 VAL A 80 -2.598 -2.081 2.133 1.00 0.00 C ATOM 0 H VAL A 80 -4.399 -1.420 4.044 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.588 -1.370 4.631 1.00 0.00 H new ATOM 0 HB VAL A 80 -3.155 -0.039 2.382 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -1.009 -0.095 1.180 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.908 0.875 2.669 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.220 -0.766 2.627 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -2.554 -2.018 1.046 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.829 -2.767 2.488 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.579 -2.447 2.436 1.00 0.00 H new ATOM 1108 N ASN A 81 -1.360 0.833 5.752 1.00 0.00 N ATOM 1109 CA ASN A 81 -1.141 2.137 6.368 1.00 0.00 C ATOM 1110 C ASN A 81 -0.078 2.925 5.608 1.00 0.00 C ATOM 1111 O ASN A 81 1.097 2.557 5.603 1.00 0.00 O ATOM 1112 CB ASN A 81 -0.720 1.970 7.830 1.00 0.00 C ATOM 1113 CG ASN A 81 -1.828 1.388 8.687 1.00 0.00 C ATOM 1114 OD1 ASN A 81 -2.499 2.109 9.426 1.00 0.00 O ATOM 1115 ND2 ASN A 81 -2.024 0.078 8.592 1.00 0.00 N ATOM 0 H ASN A 81 -0.739 0.098 6.089 1.00 0.00 H new ATOM 0 HA ASN A 81 -2.078 2.692 6.328 1.00 0.00 H new ATOM 0 HB2 ASN A 81 0.155 1.322 7.882 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -0.423 2.938 8.233 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -2.755 -0.370 9.145 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -1.444 -0.480 7.966 1.00 0.00 H new ATOM 1122 N ILE A 82 -0.499 4.011 4.969 1.00 0.00 N ATOM 1123 CA ILE A 82 0.417 4.852 4.208 1.00 0.00 C ATOM 1124 C ILE A 82 0.432 6.278 4.749 1.00 0.00 C ATOM 1125 O ILE A 82 -0.602 6.943 4.809 1.00 0.00 O ATOM 1126 CB ILE A 82 0.041 4.886 2.715 1.00 0.00 C ATOM 1127 CG1 ILE A 82 -0.182 3.466 2.190 1.00 0.00 C ATOM 1128 CG2 ILE A 82 1.125 5.589 1.912 1.00 0.00 C ATOM 1129 CD1 ILE A 82 -0.985 3.414 0.910 1.00 0.00 C ATOM 0 H ILE A 82 -1.468 4.329 4.963 1.00 0.00 H new ATOM 0 HA ILE A 82 1.410 4.415 4.315 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.888 5.445 2.602 1.00 0.00 H new ATOM 0 HG12 ILE A 82 0.786 2.994 2.022 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -0.694 2.881 2.954 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.845 5.605 0.859 1.00 0.00 H new ATOM 0 HG22 ILE A 82 1.240 6.611 2.273 1.00 0.00 H new ATOM 0 HG23 ILE A 82 2.068 5.055 2.029 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.104 2.377 0.597 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.967 3.857 1.078 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -0.464 3.971 0.131 1.00 0.00 H new ATOM 1141 N THR A 83 1.614 6.743 5.141 1.00 0.00 N ATOM 1142 CA THR A 83 1.766 8.090 5.677 1.00 0.00 C ATOM 1143 C THR A 83 2.924 8.821 5.008 1.00 0.00 C ATOM 1144 O THR A 83 3.986 8.241 4.777 1.00 0.00 O ATOM 1145 CB THR A 83 1.999 8.066 7.199 1.00 0.00 C ATOM 1146 OG1 THR A 83 3.041 7.139 7.521 1.00 0.00 O ATOM 1147 CG2 THR A 83 0.725 7.681 7.936 1.00 0.00 C ATOM 0 H THR A 83 2.480 6.206 5.097 1.00 0.00 H new ATOM 0 HA THR A 83 0.837 8.620 5.468 1.00 0.00 H new ATOM 0 HB THR A 83 2.294 9.067 7.514 1.00 0.00 H new ATOM 0 HG1 THR A 83 3.184 7.131 8.490 1.00 0.00 H new ATOM 0 HG21 THR A 83 0.915 7.671 9.009 1.00 0.00 H new ATOM 0 HG22 THR A 83 -0.058 8.406 7.713 1.00 0.00 H new ATOM 0 HG23 THR A 83 0.404 6.690 7.615 1.00 0.00 H new ATOM 1155 N TYR A 84 2.714 10.096 4.700 1.00 0.00 N ATOM 1156 CA TYR A 84 3.742 10.905 4.055 1.00 0.00 C ATOM 1157 C TYR A 84 4.363 11.886 5.045 1.00 0.00 C ATOM 1158 O TYR A 84 3.738 12.872 5.435 1.00 0.00 O ATOM 1159 CB TYR A 84 3.150 11.668 2.869 1.00 0.00 C ATOM 1160 CG TYR A 84 4.162 11.995 1.794 1.00 0.00 C ATOM 1161 CD1 TYR A 84 4.979 11.008 1.258 1.00 0.00 C ATOM 1162 CD2 TYR A 84 4.301 13.292 1.315 1.00 0.00 C ATOM 1163 CE1 TYR A 84 5.906 11.302 0.277 1.00 0.00 C ATOM 1164 CE2 TYR A 84 5.224 13.595 0.333 1.00 0.00 C ATOM 1165 CZ TYR A 84 6.024 12.597 -0.183 1.00 0.00 C ATOM 1166 OH TYR A 84 6.945 12.896 -1.160 1.00 0.00 O ATOM 0 H TYR A 84 1.842 10.591 4.886 1.00 0.00 H new ATOM 0 HA TYR A 84 4.523 10.235 3.695 1.00 0.00 H new ATOM 0 HB2 TYR A 84 2.346 11.076 2.432 1.00 0.00 H new ATOM 0 HB3 TYR A 84 2.704 12.595 3.230 1.00 0.00 H new ATOM 0 HD1 TYR A 84 4.888 9.993 1.615 1.00 0.00 H new ATOM 0 HD2 TYR A 84 3.677 14.076 1.717 1.00 0.00 H new ATOM 0 HE1 TYR A 84 6.535 10.522 -0.127 1.00 0.00 H new ATOM 0 HE2 TYR A 84 5.319 14.608 -0.029 1.00 0.00 H new ATOM 0 HH TYR A 84 6.899 13.852 -1.371 1.00 0.00 H new ATOM 1176 N GLY A 85 5.599 11.607 5.448 1.00 0.00 N ATOM 1177 CA GLY A 85 6.286 12.473 6.388 1.00 0.00 C ATOM 1178 C GLY A 85 5.803 12.282 7.812 1.00 0.00 C ATOM 1179 O GLY A 85 6.572 11.889 8.688 1.00 0.00 O ATOM 0 H GLY A 85 6.137 10.797 5.140 1.00 0.00 H new ATOM 0 HA2 GLY A 85 7.357 12.277 6.342 1.00 0.00 H new ATOM 0 HA3 GLY A 85 6.139 13.512 6.094 1.00 0.00 H new ATOM 1183 N GLY A 86 4.524 12.562 8.044 1.00 0.00 N ATOM 1184 CA GLY A 86 3.962 12.414 9.374 1.00 0.00 C ATOM 1185 C GLY A 86 2.454 12.568 9.386 1.00 0.00 C ATOM 1186 O GLY A 86 1.868 12.924 10.408 1.00 0.00 O ATOM 0 H GLY A 86 3.867 12.889 7.335 1.00 0.00 H new ATOM 0 HA2 GLY A 86 4.227 11.434 9.770 1.00 0.00 H new ATOM 0 HA3 GLY A 86 4.405 13.157 10.037 1.00 0.00 H new ATOM 1190 N ALA A 87 1.824 12.301 8.247 1.00 0.00 N ATOM 1191 CA ALA A 87 0.375 12.411 8.131 1.00 0.00 C ATOM 1192 C ALA A 87 -0.208 11.219 7.381 1.00 0.00 C ATOM 1193 O ALA A 87 0.520 10.455 6.746 1.00 0.00 O ATOM 1194 CB ALA A 87 -0.001 13.711 7.434 1.00 0.00 C ATOM 0 H ALA A 87 2.294 12.007 7.391 1.00 0.00 H new ATOM 0 HA ALA A 87 -0.046 12.415 9.136 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -1.086 13.780 7.354 1.00 0.00 H new ATOM 0 HB2 ALA A 87 0.375 14.555 8.012 1.00 0.00 H new ATOM 0 HB3 ALA A 87 0.438 13.729 6.437 1.00 0.00 H new ATOM 1200 N HIS A 88 -1.526 11.064 7.457 1.00 0.00 N ATOM 1201 CA HIS A 88 -2.207 9.964 6.785 1.00 0.00 C ATOM 1202 C HIS A 88 -2.888 10.445 5.507 1.00 0.00 C ATOM 1203 O HIS A 88 -3.668 11.398 5.530 1.00 0.00 O ATOM 1204 CB HIS A 88 -3.238 9.328 7.718 1.00 0.00 C ATOM 1205 CG HIS A 88 -2.663 8.284 8.625 1.00 0.00 C ATOM 1206 ND1 HIS A 88 -2.593 6.949 8.287 1.00 0.00 N ATOM 1207 CD2 HIS A 88 -2.126 8.386 9.863 1.00 0.00 C ATOM 1208 CE1 HIS A 88 -2.040 6.275 9.279 1.00 0.00 C ATOM 1209 NE2 HIS A 88 -1.747 7.124 10.248 1.00 0.00 N ATOM 0 H HIS A 88 -2.144 11.687 7.978 1.00 0.00 H new ATOM 0 HA HIS A 88 -1.460 9.217 6.518 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -3.699 10.109 8.323 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -4.030 8.880 7.119 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -2.016 9.292 10.441 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -1.858 5.211 9.295 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -1.310 6.881 11.137 1.00 0.00 H new ATOM 1218 N ILE A 89 -2.588 9.782 4.396 1.00 0.00 N ATOM 1219 CA ILE A 89 -3.172 10.143 3.110 1.00 0.00 C ATOM 1220 C ILE A 89 -4.657 9.800 3.065 1.00 0.00 C ATOM 1221 O ILE A 89 -5.124 8.867 3.718 1.00 0.00 O ATOM 1222 CB ILE A 89 -2.456 9.430 1.947 1.00 0.00 C ATOM 1223 CG1 ILE A 89 -2.695 7.921 2.021 1.00 0.00 C ATOM 1224 CG2 ILE A 89 -0.967 9.739 1.973 1.00 0.00 C ATOM 1225 CD1 ILE A 89 -2.392 7.197 0.728 1.00 0.00 C ATOM 0 H ILE A 89 -1.944 8.992 4.360 1.00 0.00 H new ATOM 0 HA ILE A 89 -3.047 11.220 2.997 1.00 0.00 H new ATOM 0 HB ILE A 89 -2.866 9.798 1.006 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -2.078 7.502 2.816 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -3.734 7.739 2.295 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -0.475 9.228 1.145 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -0.817 10.814 1.877 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -0.541 9.396 2.916 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -2.584 6.131 0.854 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -3.028 7.589 -0.066 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -1.346 7.348 0.463 1.00 0.00 H new ATOM 1237 N PRO A 90 -5.418 10.571 2.274 1.00 0.00 N ATOM 1238 CA PRO A 90 -6.862 10.367 2.123 1.00 0.00 C ATOM 1239 C PRO A 90 -7.189 9.089 1.357 1.00 0.00 C ATOM 1240 O PRO A 90 -7.381 9.113 0.142 1.00 0.00 O ATOM 1241 CB PRO A 90 -7.313 11.596 1.329 1.00 0.00 C ATOM 1242 CG PRO A 90 -6.099 12.031 0.583 1.00 0.00 C ATOM 1243 CD PRO A 90 -4.928 11.701 1.467 1.00 0.00 C ATOM 0 HA PRO A 90 -7.361 10.258 3.086 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -8.129 11.351 0.649 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -7.675 12.384 1.990 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -6.023 11.514 -0.374 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -6.136 13.099 0.367 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -4.049 11.427 0.884 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -4.645 12.548 2.092 1.00 0.00 H new ATOM 1251 N GLY A 91 -7.253 7.973 2.078 1.00 0.00 N ATOM 1252 CA GLY A 91 -7.558 6.701 1.449 1.00 0.00 C ATOM 1253 C GLY A 91 -7.098 5.519 2.279 1.00 0.00 C ATOM 1254 O GLY A 91 -7.538 4.390 2.062 1.00 0.00 O ATOM 0 H GLY A 91 -7.099 7.927 3.085 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.633 6.629 1.284 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -7.082 6.660 0.469 1.00 0.00 H new ATOM 1258 N SER A 92 -6.207 5.778 3.232 1.00 0.00 N ATOM 1259 CA SER A 92 -5.683 4.725 4.094 1.00 0.00 C ATOM 1260 C SER A 92 -6.305 4.801 5.485 1.00 0.00 C ATOM 1261 O SER A 92 -6.727 5.862 5.947 1.00 0.00 O ATOM 1262 CB SER A 92 -4.160 4.833 4.197 1.00 0.00 C ATOM 1263 OG SER A 92 -3.702 4.387 5.462 1.00 0.00 O ATOM 0 H SER A 92 -5.834 6.707 3.426 1.00 0.00 H new ATOM 0 HA SER A 92 -5.943 3.764 3.651 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.696 4.240 3.409 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.854 5.867 4.040 1.00 0.00 H new ATOM 0 HG SER A 92 -3.099 5.057 5.847 1.00 0.00 H new ATOM 1269 N PRO A 93 -6.364 3.649 6.169 1.00 0.00 N ATOM 1270 CA PRO A 93 -5.866 2.381 5.629 1.00 0.00 C ATOM 1271 C PRO A 93 -6.728 1.859 4.485 1.00 0.00 C ATOM 1272 O PRO A 93 -7.908 2.196 4.380 1.00 0.00 O ATOM 1273 CB PRO A 93 -5.937 1.433 6.829 1.00 0.00 C ATOM 1274 CG PRO A 93 -6.999 2.005 7.702 1.00 0.00 C ATOM 1275 CD PRO A 93 -6.923 3.497 7.523 1.00 0.00 C ATOM 0 HA PRO A 93 -4.866 2.482 5.207 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -6.185 0.418 6.518 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -4.981 1.382 7.350 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.982 1.628 7.419 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -6.839 1.728 8.744 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -7.905 3.963 7.607 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -6.285 3.960 8.276 1.00 0.00 H new ATOM 1283 N PHE A 94 -6.133 1.034 3.631 1.00 0.00 N ATOM 1284 CA PHE A 94 -6.847 0.465 2.493 1.00 0.00 C ATOM 1285 C PHE A 94 -7.151 -1.012 2.725 1.00 0.00 C ATOM 1286 O PHE A 94 -6.242 -1.839 2.797 1.00 0.00 O ATOM 1287 CB PHE A 94 -6.027 0.634 1.213 1.00 0.00 C ATOM 1288 CG PHE A 94 -5.871 2.066 0.785 1.00 0.00 C ATOM 1289 CD1 PHE A 94 -4.939 2.888 1.397 1.00 0.00 C ATOM 1290 CD2 PHE A 94 -6.657 2.589 -0.229 1.00 0.00 C ATOM 1291 CE1 PHE A 94 -4.794 4.205 1.006 1.00 0.00 C ATOM 1292 CE2 PHE A 94 -6.517 3.906 -0.625 1.00 0.00 C ATOM 1293 CZ PHE A 94 -5.583 4.715 -0.007 1.00 0.00 C ATOM 0 H PHE A 94 -5.158 0.744 3.705 1.00 0.00 H new ATOM 0 HA PHE A 94 -7.791 0.999 2.384 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -5.039 0.199 1.364 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -6.503 0.073 0.409 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -4.319 2.495 2.189 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -7.388 1.960 -0.716 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -4.064 4.836 1.492 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -7.137 4.302 -1.416 1.00 0.00 H new ATOM 0 HZ PHE A 94 -5.470 5.744 -0.315 1.00 0.00 H new ATOM 1303 N ARG A 95 -8.435 -1.335 2.842 1.00 0.00 N ATOM 1304 CA ARG A 95 -8.859 -2.711 3.068 1.00 0.00 C ATOM 1305 C ARG A 95 -8.535 -3.585 1.860 1.00 0.00 C ATOM 1306 O ARG A 95 -8.880 -3.249 0.727 1.00 0.00 O ATOM 1307 CB ARG A 95 -10.359 -2.763 3.360 1.00 0.00 C ATOM 1308 CG ARG A 95 -10.914 -4.176 3.448 1.00 0.00 C ATOM 1309 CD ARG A 95 -10.500 -4.857 4.744 1.00 0.00 C ATOM 1310 NE ARG A 95 -11.037 -4.173 5.917 1.00 0.00 N ATOM 1311 CZ ARG A 95 -12.277 -4.341 6.362 1.00 0.00 C ATOM 1312 NH1 ARG A 95 -13.104 -5.165 5.735 1.00 0.00 N ATOM 1313 NH2 ARG A 95 -12.692 -3.683 7.437 1.00 0.00 N ATOM 0 H ARG A 95 -9.199 -0.662 2.784 1.00 0.00 H new ATOM 0 HA ARG A 95 -8.314 -3.096 3.930 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -10.556 -2.245 4.299 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -10.892 -2.220 2.579 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -12.002 -4.146 3.383 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -10.560 -4.761 2.599 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -10.846 -5.891 4.737 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -9.412 -4.885 4.807 1.00 0.00 H new ATOM 0 HE ARG A 95 -10.426 -3.531 6.422 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -12.789 -5.672 4.908 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -14.056 -5.292 6.079 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -12.059 -3.048 7.922 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -13.644 -3.813 7.778 1.00 0.00 H new ATOM 1327 N VAL A 96 -7.868 -4.707 2.109 1.00 0.00 N ATOM 1328 CA VAL A 96 -7.497 -5.630 1.043 1.00 0.00 C ATOM 1329 C VAL A 96 -7.716 -7.078 1.467 1.00 0.00 C ATOM 1330 O VAL A 96 -7.009 -7.614 2.321 1.00 0.00 O ATOM 1331 CB VAL A 96 -6.025 -5.445 0.627 1.00 0.00 C ATOM 1332 CG1 VAL A 96 -5.665 -6.399 -0.501 1.00 0.00 C ATOM 1333 CG2 VAL A 96 -5.764 -4.003 0.221 1.00 0.00 C ATOM 0 H VAL A 96 -7.573 -4.999 3.041 1.00 0.00 H new ATOM 0 HA VAL A 96 -8.139 -5.404 0.192 1.00 0.00 H new ATOM 0 HB VAL A 96 -5.391 -5.678 1.483 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.622 -6.254 -0.781 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -5.812 -7.427 -0.169 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -6.303 -6.201 -1.362 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -4.720 -3.890 -0.070 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -6.405 -3.740 -0.620 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -5.980 -3.344 1.062 1.00 0.00 H new ATOM 1343 N PRO A 97 -8.718 -7.728 0.858 1.00 0.00 N ATOM 1344 CA PRO A 97 -9.053 -9.123 1.156 1.00 0.00 C ATOM 1345 C PRO A 97 -7.989 -10.095 0.657 1.00 0.00 C ATOM 1346 O PRO A 97 -7.783 -10.240 -0.548 1.00 0.00 O ATOM 1347 CB PRO A 97 -10.370 -9.340 0.405 1.00 0.00 C ATOM 1348 CG PRO A 97 -10.341 -8.346 -0.704 1.00 0.00 C ATOM 1349 CD PRO A 97 -9.601 -7.151 -0.170 1.00 0.00 C ATOM 0 HA PRO A 97 -9.123 -9.305 2.228 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -10.445 -10.358 0.023 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -11.229 -9.181 1.057 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -9.840 -8.755 -1.582 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -11.351 -8.074 -1.011 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -9.032 -6.648 -0.952 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -10.282 -6.413 0.254 1.00 0.00 H new ATOM 1357 N VAL A 98 -7.315 -10.758 1.591 1.00 0.00 N ATOM 1358 CA VAL A 98 -6.273 -11.718 1.245 1.00 0.00 C ATOM 1359 C VAL A 98 -6.822 -13.139 1.216 1.00 0.00 C ATOM 1360 O VAL A 98 -7.115 -13.726 2.258 1.00 0.00 O ATOM 1361 CB VAL A 98 -5.098 -11.653 2.240 1.00 0.00 C ATOM 1362 CG1 VAL A 98 -4.074 -12.733 1.927 1.00 0.00 C ATOM 1363 CG2 VAL A 98 -4.456 -10.274 2.216 1.00 0.00 C ATOM 0 H VAL A 98 -7.472 -10.648 2.593 1.00 0.00 H new ATOM 0 HA VAL A 98 -5.914 -11.451 0.251 1.00 0.00 H new ATOM 0 HB VAL A 98 -5.483 -11.831 3.244 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.251 -12.672 2.640 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -4.545 -13.713 2.000 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.690 -12.589 0.917 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -3.628 -10.246 2.924 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -4.083 -10.064 1.214 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -5.196 -9.523 2.493 1.00 0.00 H new ATOM 1373 N LYS A 99 -6.959 -13.690 0.015 1.00 0.00 N ATOM 1374 CA LYS A 99 -7.472 -15.045 -0.152 1.00 0.00 C ATOM 1375 C LYS A 99 -6.336 -16.027 -0.420 1.00 0.00 C ATOM 1376 O LYS A 99 -5.232 -15.628 -0.792 1.00 0.00 O ATOM 1377 CB LYS A 99 -8.482 -15.092 -1.300 1.00 0.00 C ATOM 1378 CG LYS A 99 -9.479 -13.946 -1.281 1.00 0.00 C ATOM 1379 CD LYS A 99 -9.947 -13.590 -2.682 1.00 0.00 C ATOM 1380 CE LYS A 99 -10.841 -12.360 -2.675 1.00 0.00 C ATOM 1381 NZ LYS A 99 -10.050 -11.099 -2.635 1.00 0.00 N ATOM 0 H LYS A 99 -6.722 -13.219 -0.858 1.00 0.00 H new ATOM 0 HA LYS A 99 -7.969 -15.335 0.773 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -7.943 -15.078 -2.247 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -9.025 -16.036 -1.256 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -10.338 -14.220 -0.668 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -9.022 -13.072 -0.816 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -9.082 -13.409 -3.321 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -10.489 -14.433 -3.111 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -11.472 -12.365 -3.564 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -11.506 -12.399 -1.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -10.691 -10.284 -2.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -9.532 -11.043 -1.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -9.374 -11.088 -3.425 1.00 0.00 H new