USER MOD reduce.3.24.130724 H: found=0, std=0, add=818, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 815 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 23 HIS : no HE2:sc= 0.92 K(o=2.2,f=-10!) USER MOD Set 1.2: A 35 HIS : no HE2:sc= 0.765 K(o=2.2,f=-3.7!) USER MOD Set 1.3: A 113 CYS SG : rot 77:sc= 0.544 USER MOD Set 2.1: A 109 THR OG1 : rot 180:sc= 0.416 USER MOD Set 2.2: A 112 ASN : amide:sc= 0.972 K(o=1.4,f=-0.81!) USER MOD Set 3.1: A 80 HIS : no HD1:sc= 0.667 K(o=2.4,f=-3.3!) USER MOD Set 3.2: A 118 ASN : amide:sc= 1.7 K(o=2.4,f=-1.7!) USER MOD Single : A 9 LYS NZ :NH3+ -127:sc= 0.0161 (180deg=-0.0428) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -179:sc= 1.29 (180deg=1.29) USER MOD Single : A 61 LYS NZ :NH3+ 163:sc= 1.47 (180deg=1.28) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 98:sc= 1.67 USER MOD Single : A 73 LYS NZ :NH3+ 164:sc= 1.22 (180deg=1.17) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 1.17 K(o=1.2,f=-0.011) USER MOD Single : A 77 ASN : amide:sc= 1.04 K(o=1,f=-2) USER MOD Single : A 78 ASN : amide:sc= 1.57 K(o=1.6,f=-5.8!) USER MOD Single : A 79 LYS NZ :NH3+ -170:sc= 1.22 (180deg=1.2) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 TYR OH : rot 42:sc= 0.0664 USER MOD Single : A 85 SER OG : rot -98:sc= 2.04 USER MOD Single : A 89 CYS SG : rot 180:sc= 0.0869 USER MOD Single : A 90 SER OG : rot 180:sc= 0.0247 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc= -0.108 X(o=-0.11,f=-0.11) USER MOD Single : A 102 GLN : amide:sc= 0.614 K(o=0.61,f=0) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ -152:sc= 0.926 (180deg=0.536) USER MOD Single : A 110 SER OG : rot -67:sc= 1.3 USER MOD Single : A 115 HIS : no HD1:sc= 0.228 K(o=0.23,f=-2.5!) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 116 N PRO A 8 6.177 -3.698 9.250 1.00 0.00 N ATOM 117 CA PRO A 8 5.499 -4.990 9.082 1.00 0.00 C ATOM 118 C PRO A 8 5.814 -5.960 10.231 1.00 0.00 C ATOM 119 O PRO A 8 6.841 -5.830 10.907 1.00 0.00 O ATOM 120 CB PRO A 8 5.973 -5.534 7.731 1.00 0.00 C ATOM 121 CG PRO A 8 7.354 -4.909 7.561 1.00 0.00 C ATOM 122 CD PRO A 8 7.181 -3.536 8.206 1.00 0.00 C ATOM 0 HA PRO A 8 4.416 -4.871 9.104 1.00 0.00 H new ATOM 0 HB2 PRO A 8 6.022 -6.623 7.732 1.00 0.00 H new ATOM 0 HB3 PRO A 8 5.300 -5.246 6.924 1.00 0.00 H new ATOM 0 HG2 PRO A 8 8.128 -5.495 8.057 1.00 0.00 H new ATOM 0 HG3 PRO A 8 7.637 -4.831 6.511 1.00 0.00 H new ATOM 0 HD2 PRO A 8 8.123 -3.181 8.624 1.00 0.00 H new ATOM 0 HD3 PRO A 8 6.861 -2.798 7.470 1.00 0.00 H new ATOM 130 N LYS A 9 4.947 -6.957 10.441 1.00 0.00 N ATOM 131 CA LYS A 9 5.060 -7.929 11.531 1.00 0.00 C ATOM 132 C LYS A 9 4.720 -9.330 11.021 1.00 0.00 C ATOM 133 O LYS A 9 3.931 -9.456 10.080 1.00 0.00 O ATOM 134 CB LYS A 9 4.083 -7.567 12.672 1.00 0.00 C ATOM 135 CG LYS A 9 4.364 -6.228 13.372 1.00 0.00 C ATOM 136 CD LYS A 9 5.666 -6.240 14.190 1.00 0.00 C ATOM 137 CE LYS A 9 6.001 -4.845 14.732 1.00 0.00 C ATOM 138 NZ LYS A 9 6.466 -3.926 13.662 1.00 0.00 N ATOM 0 H LYS A 9 4.133 -7.113 9.847 1.00 0.00 H new ATOM 0 HA LYS A 9 6.084 -7.909 11.904 1.00 0.00 H new ATOM 0 HB2 LYS A 9 3.071 -7.543 12.268 1.00 0.00 H new ATOM 0 HB3 LYS A 9 4.110 -8.362 13.418 1.00 0.00 H new ATOM 0 HG2 LYS A 9 4.419 -5.437 12.624 1.00 0.00 H new ATOM 0 HG3 LYS A 9 3.530 -5.986 14.031 1.00 0.00 H new ATOM 0 HD2 LYS A 9 5.570 -6.940 15.020 1.00 0.00 H new ATOM 0 HD3 LYS A 9 6.486 -6.596 13.566 1.00 0.00 H new ATOM 0 HE2 LYS A 9 5.119 -4.423 15.214 1.00 0.00 H new ATOM 0 HE3 LYS A 9 6.773 -4.930 15.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 7.377 -3.507 13.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 6.582 -4.456 12.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 5.765 -3.170 13.525 1.00 0.00 H new ATOM 152 N PRO A 10 5.288 -10.393 11.621 1.00 0.00 N ATOM 153 CA PRO A 10 4.863 -11.763 11.370 1.00 0.00 C ATOM 154 C PRO A 10 3.332 -11.877 11.415 1.00 0.00 C ATOM 155 O PRO A 10 2.684 -11.304 12.296 1.00 0.00 O ATOM 156 CB PRO A 10 5.569 -12.604 12.437 1.00 0.00 C ATOM 157 CG PRO A 10 6.850 -11.816 12.700 1.00 0.00 C ATOM 158 CD PRO A 10 6.372 -10.371 12.593 1.00 0.00 C ATOM 0 HA PRO A 10 5.133 -12.115 10.374 1.00 0.00 H new ATOM 0 HB2 PRO A 10 4.964 -12.704 13.338 1.00 0.00 H new ATOM 0 HB3 PRO A 10 5.781 -13.612 12.082 1.00 0.00 H new ATOM 0 HG2 PRO A 10 7.267 -12.034 13.683 1.00 0.00 H new ATOM 0 HG3 PRO A 10 7.625 -12.043 11.968 1.00 0.00 H new ATOM 0 HD2 PRO A 10 6.027 -9.999 13.558 1.00 0.00 H new ATOM 0 HD3 PRO A 10 7.178 -9.714 12.268 1.00 0.00 H new ATOM 166 N GLY A 11 2.760 -12.589 10.445 1.00 0.00 N ATOM 167 CA GLY A 11 1.332 -12.657 10.185 1.00 0.00 C ATOM 168 C GLY A 11 0.933 -11.806 8.976 1.00 0.00 C ATOM 169 O GLY A 11 -0.181 -11.965 8.483 1.00 0.00 O ATOM 0 H GLY A 11 3.305 -13.155 9.795 1.00 0.00 H new ATOM 0 HA2 GLY A 11 1.043 -13.694 10.011 1.00 0.00 H new ATOM 0 HA3 GLY A 11 0.786 -12.317 11.065 1.00 0.00 H new ATOM 173 N ASP A 12 1.784 -10.899 8.484 1.00 0.00 N ATOM 174 CA ASP A 12 1.427 -10.025 7.364 1.00 0.00 C ATOM 175 C ASP A 12 1.650 -10.718 6.023 1.00 0.00 C ATOM 176 O ASP A 12 2.542 -11.563 5.882 1.00 0.00 O ATOM 177 CB ASP A 12 2.220 -8.711 7.407 1.00 0.00 C ATOM 178 CG ASP A 12 1.732 -7.743 8.493 1.00 0.00 C ATOM 179 OD1 ASP A 12 0.538 -7.825 8.874 1.00 0.00 O ATOM 180 OD2 ASP A 12 2.515 -6.858 8.903 1.00 0.00 O ATOM 0 H ASP A 12 2.726 -10.752 8.846 1.00 0.00 H new ATOM 0 HA ASP A 12 0.366 -9.797 7.465 1.00 0.00 H new ATOM 0 HB2 ASP A 12 3.273 -8.936 7.577 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.151 -8.221 6.436 1.00 0.00 H new ATOM 185 N LEU A 13 0.855 -10.326 5.023 1.00 0.00 N ATOM 186 CA LEU A 13 1.057 -10.726 3.636 1.00 0.00 C ATOM 187 C LEU A 13 2.215 -9.933 3.049 1.00 0.00 C ATOM 188 O LEU A 13 2.287 -8.713 3.216 1.00 0.00 O ATOM 189 CB LEU A 13 -0.168 -10.420 2.758 1.00 0.00 C ATOM 190 CG LEU A 13 -1.443 -11.248 2.971 1.00 0.00 C ATOM 191 CD1 LEU A 13 -2.396 -11.013 1.798 1.00 0.00 C ATOM 192 CD2 LEU A 13 -1.119 -12.737 3.073 1.00 0.00 C ATOM 0 H LEU A 13 0.048 -9.717 5.159 1.00 0.00 H new ATOM 0 HA LEU A 13 1.245 -11.800 3.642 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.426 -9.371 2.901 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.133 -10.535 1.717 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.910 -10.934 3.905 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.304 -11.599 1.944 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.652 -9.955 1.743 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.913 -11.318 0.870 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.040 -13.300 3.224 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.637 -13.068 2.153 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.448 -12.907 3.915 1.00 0.00 H new ATOM 204 N ILE A 14 3.044 -10.609 2.262 1.00 0.00 N ATOM 205 CA ILE A 14 4.179 -10.035 1.568 1.00 0.00 C ATOM 206 C ILE A 14 3.951 -10.297 0.085 1.00 0.00 C ATOM 207 O ILE A 14 3.758 -11.446 -0.320 1.00 0.00 O ATOM 208 CB ILE A 14 5.477 -10.711 2.071 1.00 0.00 C ATOM 209 CG1 ILE A 14 5.715 -10.545 3.589 1.00 0.00 C ATOM 210 CG2 ILE A 14 6.695 -10.239 1.263 1.00 0.00 C ATOM 211 CD1 ILE A 14 5.896 -9.101 4.079 1.00 0.00 C ATOM 0 H ILE A 14 2.936 -11.608 2.087 1.00 0.00 H new ATOM 0 HA ILE A 14 4.279 -8.965 1.749 1.00 0.00 H new ATOM 0 HB ILE A 14 5.341 -11.780 1.906 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.873 -10.987 4.121 1.00 0.00 H new ATOM 0 HG13 ILE A 14 6.601 -11.117 3.864 1.00 0.00 H new ATOM 0 HG21 ILE A 14 7.593 -10.730 1.638 1.00 0.00 H new ATOM 0 HG22 ILE A 14 6.555 -10.492 0.212 1.00 0.00 H new ATOM 0 HG23 ILE A 14 6.803 -9.159 1.365 1.00 0.00 H new ATOM 0 HD11 ILE A 14 6.056 -9.100 5.157 1.00 0.00 H new ATOM 0 HD12 ILE A 14 6.758 -8.654 3.584 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.002 -8.523 3.845 1.00 0.00 H new ATOM 223 N GLU A 15 3.979 -9.245 -0.726 1.00 0.00 N ATOM 224 CA GLU A 15 4.064 -9.401 -2.165 1.00 0.00 C ATOM 225 C GLU A 15 5.542 -9.246 -2.515 1.00 0.00 C ATOM 226 O GLU A 15 6.300 -8.549 -1.841 1.00 0.00 O ATOM 227 CB GLU A 15 3.170 -8.412 -2.928 1.00 0.00 C ATOM 228 CG GLU A 15 3.607 -6.953 -2.776 1.00 0.00 C ATOM 229 CD GLU A 15 2.872 -6.021 -3.743 1.00 0.00 C ATOM 230 OE1 GLU A 15 1.625 -5.947 -3.701 1.00 0.00 O ATOM 231 OE2 GLU A 15 3.564 -5.333 -4.526 1.00 0.00 O ATOM 0 H GLU A 15 3.944 -8.277 -0.407 1.00 0.00 H new ATOM 0 HA GLU A 15 3.689 -10.378 -2.470 1.00 0.00 H new ATOM 0 HB2 GLU A 15 3.171 -8.675 -3.986 1.00 0.00 H new ATOM 0 HB3 GLU A 15 2.144 -8.515 -2.575 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.425 -6.627 -1.752 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.681 -6.878 -2.949 1.00 0.00 H new ATOM 238 N ILE A 16 5.939 -9.884 -3.596 1.00 0.00 N ATOM 239 CA ILE A 16 7.294 -10.078 -4.059 1.00 0.00 C ATOM 240 C ILE A 16 7.254 -9.557 -5.488 1.00 0.00 C ATOM 241 O ILE A 16 6.590 -10.148 -6.340 1.00 0.00 O ATOM 242 CB ILE A 16 7.621 -11.585 -3.978 1.00 0.00 C ATOM 243 CG1 ILE A 16 7.538 -12.182 -2.554 1.00 0.00 C ATOM 244 CG2 ILE A 16 8.965 -11.899 -4.647 1.00 0.00 C ATOM 245 CD1 ILE A 16 8.627 -11.703 -1.594 1.00 0.00 C ATOM 0 H ILE A 16 5.263 -10.316 -4.226 1.00 0.00 H new ATOM 0 HA ILE A 16 8.063 -9.567 -3.480 1.00 0.00 H new ATOM 0 HB ILE A 16 6.830 -12.084 -4.538 1.00 0.00 H new ATOM 0 HG12 ILE A 16 6.565 -11.937 -2.129 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.590 -13.268 -2.627 1.00 0.00 H new ATOM 0 HG21 ILE A 16 9.167 -12.968 -4.574 1.00 0.00 H new ATOM 0 HG22 ILE A 16 8.926 -11.608 -5.697 1.00 0.00 H new ATOM 0 HG23 ILE A 16 9.759 -11.344 -4.147 1.00 0.00 H new ATOM 0 HD11 ILE A 16 8.488 -12.174 -0.621 1.00 0.00 H new ATOM 0 HD12 ILE A 16 9.606 -11.972 -1.991 1.00 0.00 H new ATOM 0 HD13 ILE A 16 8.565 -10.620 -1.485 1.00 0.00 H new ATOM 257 N PHE A 17 7.893 -8.423 -5.748 1.00 0.00 N ATOM 258 CA PHE A 17 7.944 -7.865 -7.091 1.00 0.00 C ATOM 259 C PHE A 17 8.812 -8.777 -7.959 1.00 0.00 C ATOM 260 O PHE A 17 9.910 -9.168 -7.546 1.00 0.00 O ATOM 261 CB PHE A 17 8.481 -6.428 -7.039 1.00 0.00 C ATOM 262 CG PHE A 17 7.515 -5.416 -7.616 1.00 0.00 C ATOM 263 CD1 PHE A 17 6.440 -4.948 -6.835 1.00 0.00 C ATOM 264 CD2 PHE A 17 7.671 -4.962 -8.940 1.00 0.00 C ATOM 265 CE1 PHE A 17 5.526 -4.027 -7.380 1.00 0.00 C ATOM 266 CE2 PHE A 17 6.758 -4.039 -9.480 1.00 0.00 C ATOM 267 CZ PHE A 17 5.686 -3.571 -8.700 1.00 0.00 C ATOM 0 H PHE A 17 8.384 -7.872 -5.044 1.00 0.00 H new ATOM 0 HA PHE A 17 6.948 -7.816 -7.530 1.00 0.00 H new ATOM 0 HB2 PHE A 17 8.700 -6.165 -6.004 1.00 0.00 H new ATOM 0 HB3 PHE A 17 9.422 -6.377 -7.587 1.00 0.00 H new ATOM 0 HD1 PHE A 17 6.317 -5.295 -5.820 1.00 0.00 H new ATOM 0 HD2 PHE A 17 8.492 -5.323 -9.541 1.00 0.00 H new ATOM 0 HE1 PHE A 17 4.700 -3.670 -6.783 1.00 0.00 H new ATOM 0 HE2 PHE A 17 6.880 -3.689 -10.494 1.00 0.00 H new ATOM 0 HZ PHE A 17 4.986 -2.861 -9.115 1.00 0.00 H new ATOM 277 N ARG A 18 8.332 -9.125 -9.155 1.00 0.00 N ATOM 278 CA ARG A 18 9.038 -9.983 -10.102 1.00 0.00 C ATOM 279 C ARG A 18 9.205 -9.206 -11.418 1.00 0.00 C ATOM 280 O ARG A 18 8.561 -8.167 -11.575 1.00 0.00 O ATOM 281 CB ARG A 18 8.234 -11.290 -10.231 1.00 0.00 C ATOM 282 CG ARG A 18 8.166 -12.093 -8.912 1.00 0.00 C ATOM 283 CD ARG A 18 8.967 -13.398 -8.968 1.00 0.00 C ATOM 284 NE ARG A 18 9.568 -13.729 -7.658 1.00 0.00 N ATOM 285 CZ ARG A 18 9.734 -14.944 -7.121 1.00 0.00 C ATOM 286 NH1 ARG A 18 9.218 -16.021 -7.709 1.00 0.00 N ATOM 287 NH2 ARG A 18 10.421 -15.076 -5.988 1.00 0.00 N ATOM 0 H ARG A 18 7.424 -8.811 -9.497 1.00 0.00 H new ATOM 0 HA ARG A 18 10.042 -10.256 -9.776 1.00 0.00 H new ATOM 0 HB2 ARG A 18 7.221 -11.056 -10.559 1.00 0.00 H new ATOM 0 HB3 ARG A 18 8.684 -11.912 -11.005 1.00 0.00 H new ATOM 0 HG2 ARG A 18 8.543 -11.476 -8.097 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.125 -12.321 -8.684 1.00 0.00 H new ATOM 0 HD2 ARG A 18 8.315 -14.212 -9.285 1.00 0.00 H new ATOM 0 HD3 ARG A 18 9.754 -13.310 -9.717 1.00 0.00 H new ATOM 0 HE ARG A 18 9.894 -12.940 -7.099 1.00 0.00 H new ATOM 0 HH11 ARG A 18 8.691 -15.925 -8.577 1.00 0.00 H new ATOM 0 HH12 ARG A 18 9.350 -16.942 -7.292 1.00 0.00 H new ATOM 0 HH21 ARG A 18 10.818 -14.254 -5.533 1.00 0.00 H new ATOM 0 HH22 ARG A 18 10.550 -15.999 -5.575 1.00 0.00 H new ATOM 301 N PRO A 19 10.056 -9.659 -12.361 1.00 0.00 N ATOM 302 CA PRO A 19 10.456 -8.875 -13.532 1.00 0.00 C ATOM 303 C PRO A 19 9.322 -8.206 -14.320 1.00 0.00 C ATOM 304 O PRO A 19 9.502 -7.084 -14.799 1.00 0.00 O ATOM 305 CB PRO A 19 11.269 -9.833 -14.407 1.00 0.00 C ATOM 306 CG PRO A 19 11.923 -10.747 -13.376 1.00 0.00 C ATOM 307 CD PRO A 19 10.836 -10.891 -12.311 1.00 0.00 C ATOM 0 HA PRO A 19 11.029 -8.012 -13.192 1.00 0.00 H new ATOM 0 HB2 PRO A 19 10.635 -10.389 -15.098 1.00 0.00 H new ATOM 0 HB3 PRO A 19 12.009 -9.305 -15.008 1.00 0.00 H new ATOM 0 HG2 PRO A 19 12.198 -11.710 -13.806 1.00 0.00 H new ATOM 0 HG3 PRO A 19 12.834 -10.309 -12.967 1.00 0.00 H new ATOM 0 HD2 PRO A 19 10.207 -11.759 -12.510 1.00 0.00 H new ATOM 0 HD3 PRO A 19 11.274 -11.035 -11.323 1.00 0.00 H new ATOM 315 N PHE A 20 8.162 -8.863 -14.428 1.00 0.00 N ATOM 316 CA PHE A 20 6.992 -8.359 -15.153 1.00 0.00 C ATOM 317 C PHE A 20 5.678 -8.686 -14.417 1.00 0.00 C ATOM 318 O PHE A 20 4.605 -8.603 -15.016 1.00 0.00 O ATOM 319 CB PHE A 20 6.985 -8.946 -16.581 1.00 0.00 C ATOM 320 CG PHE A 20 8.244 -8.697 -17.395 1.00 0.00 C ATOM 321 CD1 PHE A 20 8.465 -7.437 -17.987 1.00 0.00 C ATOM 322 CD2 PHE A 20 9.198 -9.721 -17.558 1.00 0.00 C ATOM 323 CE1 PHE A 20 9.635 -7.203 -18.731 1.00 0.00 C ATOM 324 CE2 PHE A 20 10.369 -9.483 -18.300 1.00 0.00 C ATOM 325 CZ PHE A 20 10.589 -8.224 -18.886 1.00 0.00 C ATOM 0 H PHE A 20 8.008 -9.778 -14.005 1.00 0.00 H new ATOM 0 HA PHE A 20 7.060 -7.273 -15.208 1.00 0.00 H new ATOM 0 HB2 PHE A 20 6.824 -10.022 -16.512 1.00 0.00 H new ATOM 0 HB3 PHE A 20 6.135 -8.530 -17.122 1.00 0.00 H new ATOM 0 HD1 PHE A 20 7.735 -6.650 -17.869 1.00 0.00 H new ATOM 0 HD2 PHE A 20 9.030 -10.690 -17.112 1.00 0.00 H new ATOM 0 HE1 PHE A 20 9.801 -6.237 -19.184 1.00 0.00 H new ATOM 0 HE2 PHE A 20 11.100 -10.269 -18.420 1.00 0.00 H new ATOM 0 HZ PHE A 20 11.489 -8.042 -19.454 1.00 0.00 H new ATOM 335 N TYR A 21 5.743 -9.114 -13.149 1.00 0.00 N ATOM 336 CA TYR A 21 4.608 -9.670 -12.413 1.00 0.00 C ATOM 337 C TYR A 21 4.853 -9.548 -10.901 1.00 0.00 C ATOM 338 O TYR A 21 5.749 -8.816 -10.476 1.00 0.00 O ATOM 339 CB TYR A 21 4.372 -11.124 -12.877 1.00 0.00 C ATOM 340 CG TYR A 21 5.514 -12.106 -12.663 1.00 0.00 C ATOM 341 CD1 TYR A 21 6.534 -12.248 -13.624 1.00 0.00 C ATOM 342 CD2 TYR A 21 5.519 -12.935 -11.529 1.00 0.00 C ATOM 343 CE1 TYR A 21 7.537 -13.222 -13.462 1.00 0.00 C ATOM 344 CE2 TYR A 21 6.488 -13.937 -11.373 1.00 0.00 C ATOM 345 CZ TYR A 21 7.510 -14.084 -12.339 1.00 0.00 C ATOM 346 OH TYR A 21 8.466 -15.039 -12.161 1.00 0.00 O ATOM 0 H TYR A 21 6.602 -9.081 -12.600 1.00 0.00 H new ATOM 0 HA TYR A 21 3.697 -9.109 -12.623 1.00 0.00 H new ATOM 0 HB2 TYR A 21 3.493 -11.507 -12.359 1.00 0.00 H new ATOM 0 HB3 TYR A 21 4.133 -11.107 -13.940 1.00 0.00 H new ATOM 0 HD1 TYR A 21 6.547 -11.605 -14.491 1.00 0.00 H new ATOM 0 HD2 TYR A 21 4.766 -12.799 -10.767 1.00 0.00 H new ATOM 0 HE1 TYR A 21 8.326 -13.312 -14.194 1.00 0.00 H new ATOM 0 HE2 TYR A 21 6.454 -14.595 -10.517 1.00 0.00 H new ATOM 0 HH TYR A 21 8.284 -15.534 -11.335 1.00 0.00 H new ATOM 356 N ARG A 22 4.086 -10.268 -10.073 1.00 0.00 N ATOM 357 CA ARG A 22 4.334 -10.364 -8.637 1.00 0.00 C ATOM 358 C ARG A 22 4.126 -11.798 -8.173 1.00 0.00 C ATOM 359 O ARG A 22 3.400 -12.567 -8.803 1.00 0.00 O ATOM 360 CB ARG A 22 3.518 -9.328 -7.824 1.00 0.00 C ATOM 361 CG ARG A 22 2.012 -9.166 -8.118 1.00 0.00 C ATOM 362 CD ARG A 22 1.221 -10.473 -7.998 1.00 0.00 C ATOM 363 NE ARG A 22 -0.241 -10.265 -7.963 1.00 0.00 N ATOM 364 CZ ARG A 22 -1.080 -10.200 -9.003 1.00 0.00 C ATOM 365 NH1 ARG A 22 -0.636 -10.141 -10.258 1.00 0.00 N ATOM 366 NH2 ARG A 22 -2.380 -10.207 -8.748 1.00 0.00 N ATOM 0 H ARG A 22 3.274 -10.801 -10.385 1.00 0.00 H new ATOM 0 HA ARG A 22 5.375 -10.104 -8.445 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.622 -9.582 -6.769 1.00 0.00 H new ATOM 0 HB3 ARG A 22 3.988 -8.355 -7.966 1.00 0.00 H new ATOM 0 HG2 ARG A 22 1.593 -8.432 -7.430 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.887 -8.766 -9.124 1.00 0.00 H new ATOM 0 HD2 ARG A 22 1.470 -11.120 -8.839 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.529 -10.995 -7.092 1.00 0.00 H new ATOM 0 HE ARG A 22 -0.659 -10.159 -7.039 1.00 0.00 H new ATOM 0 HH11 ARG A 22 0.367 -10.145 -10.445 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -1.299 -10.092 -11.032 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.710 -10.261 -7.784 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -3.050 -10.159 -9.515 1.00 0.00 H new ATOM 380 N HIS A 23 4.751 -12.141 -7.062 1.00 0.00 N ATOM 381 CA HIS A 23 4.638 -13.406 -6.356 1.00 0.00 C ATOM 382 C HIS A 23 4.219 -13.062 -4.921 1.00 0.00 C ATOM 383 O HIS A 23 4.201 -11.882 -4.556 1.00 0.00 O ATOM 384 CB HIS A 23 5.984 -14.153 -6.464 1.00 0.00 C ATOM 385 CG HIS A 23 6.071 -15.400 -5.625 1.00 0.00 C ATOM 386 ND1 HIS A 23 5.086 -16.386 -5.570 1.00 0.00 N ATOM 387 CD2 HIS A 23 7.072 -15.716 -4.750 1.00 0.00 C ATOM 388 CE1 HIS A 23 5.525 -17.280 -4.668 1.00 0.00 C ATOM 389 NE2 HIS A 23 6.714 -16.908 -4.164 1.00 0.00 N ATOM 0 H HIS A 23 5.395 -11.501 -6.597 1.00 0.00 H new ATOM 0 HA HIS A 23 3.891 -14.080 -6.775 1.00 0.00 H new ATOM 0 HB2 HIS A 23 6.156 -14.419 -7.507 1.00 0.00 H new ATOM 0 HB3 HIS A 23 6.786 -13.476 -6.171 1.00 0.00 H new ATOM 0 HD1 HIS A 23 4.216 -16.421 -6.102 1.00 0.00 H new ATOM 0 HD2 HIS A 23 7.967 -15.143 -4.557 1.00 0.00 H new ATOM 0 HE1 HIS A 23 4.994 -18.177 -4.386 1.00 0.00 H new ATOM 397 N TRP A 24 3.861 -14.050 -4.102 1.00 0.00 N ATOM 398 CA TRP A 24 3.353 -13.820 -2.757 1.00 0.00 C ATOM 399 C TRP A 24 3.961 -14.785 -1.754 1.00 0.00 C ATOM 400 O TRP A 24 4.237 -15.945 -2.065 1.00 0.00 O ATOM 401 CB TRP A 24 1.832 -13.947 -2.744 1.00 0.00 C ATOM 402 CG TRP A 24 1.110 -12.829 -3.409 1.00 0.00 C ATOM 403 CD1 TRP A 24 0.746 -12.760 -4.707 1.00 0.00 C ATOM 404 CD2 TRP A 24 0.624 -11.607 -2.793 1.00 0.00 C ATOM 405 NE1 TRP A 24 0.036 -11.596 -4.916 1.00 0.00 N ATOM 406 CE2 TRP A 24 -0.055 -10.834 -3.773 1.00 0.00 C ATOM 407 CE3 TRP A 24 0.665 -11.102 -1.481 1.00 0.00 C ATOM 408 CZ2 TRP A 24 -0.692 -9.622 -3.463 1.00 0.00 C ATOM 409 CZ3 TRP A 24 0.047 -9.879 -1.158 1.00 0.00 C ATOM 410 CH2 TRP A 24 -0.641 -9.147 -2.142 1.00 0.00 C ATOM 0 H TRP A 24 3.917 -15.036 -4.357 1.00 0.00 H new ATOM 0 HA TRP A 24 3.638 -12.810 -2.463 1.00 0.00 H new ATOM 0 HB2 TRP A 24 1.555 -14.882 -3.231 1.00 0.00 H new ATOM 0 HB3 TRP A 24 1.495 -14.015 -1.710 1.00 0.00 H new ATOM 0 HD1 TRP A 24 0.974 -13.498 -5.461 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -0.373 -11.331 -5.812 1.00 0.00 H new ATOM 0 HE3 TRP A 24 1.177 -11.660 -0.711 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -1.213 -9.064 -4.227 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 0.102 -9.501 -0.148 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -1.130 -8.220 -1.882 1.00 0.00 H new ATOM 421 N ALA A 25 4.104 -14.289 -0.529 1.00 0.00 N ATOM 422 CA ALA A 25 4.631 -14.976 0.630 1.00 0.00 C ATOM 423 C ALA A 25 3.908 -14.433 1.872 1.00 0.00 C ATOM 424 O ALA A 25 3.140 -13.470 1.783 1.00 0.00 O ATOM 425 CB ALA A 25 6.141 -14.716 0.688 1.00 0.00 C ATOM 0 H ALA A 25 3.834 -13.330 -0.312 1.00 0.00 H new ATOM 0 HA ALA A 25 4.469 -16.053 0.581 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.565 -15.224 1.555 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.611 -15.095 -0.220 1.00 0.00 H new ATOM 0 HB3 ALA A 25 6.323 -13.644 0.771 1.00 0.00 H new ATOM 431 N ILE A 26 4.152 -15.022 3.036 1.00 0.00 N ATOM 432 CA ILE A 26 3.545 -14.606 4.291 1.00 0.00 C ATOM 433 C ILE A 26 4.626 -14.603 5.365 1.00 0.00 C ATOM 434 O ILE A 26 5.446 -15.518 5.422 1.00 0.00 O ATOM 435 CB ILE A 26 2.351 -15.535 4.581 1.00 0.00 C ATOM 436 CG1 ILE A 26 1.402 -14.887 5.600 1.00 0.00 C ATOM 437 CG2 ILE A 26 2.768 -16.953 5.000 1.00 0.00 C ATOM 438 CD1 ILE A 26 0.083 -15.653 5.636 1.00 0.00 C ATOM 0 H ILE A 26 4.787 -15.814 3.135 1.00 0.00 H new ATOM 0 HA ILE A 26 3.144 -13.593 4.256 1.00 0.00 H new ATOM 0 HB ILE A 26 1.813 -15.663 3.642 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.860 -14.887 6.589 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.222 -13.846 5.332 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.878 -17.553 5.189 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.352 -17.411 4.202 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.370 -16.902 5.907 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.587 -15.190 6.360 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.378 -15.630 4.649 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.271 -16.687 5.925 1.00 0.00 H new ATOM 450 N TYR A 27 4.677 -13.545 6.166 1.00 0.00 N ATOM 451 CA TYR A 27 5.738 -13.297 7.129 1.00 0.00 C ATOM 452 C TYR A 27 5.492 -14.178 8.351 1.00 0.00 C ATOM 453 O TYR A 27 4.370 -14.213 8.854 1.00 0.00 O ATOM 454 CB TYR A 27 5.731 -11.782 7.422 1.00 0.00 C ATOM 455 CG TYR A 27 7.022 -11.086 7.834 1.00 0.00 C ATOM 456 CD1 TYR A 27 8.302 -11.589 7.511 1.00 0.00 C ATOM 457 CD2 TYR A 27 6.920 -9.823 8.448 1.00 0.00 C ATOM 458 CE1 TYR A 27 9.458 -10.855 7.832 1.00 0.00 C ATOM 459 CE2 TYR A 27 8.069 -9.096 8.801 1.00 0.00 C ATOM 460 CZ TYR A 27 9.349 -9.612 8.498 1.00 0.00 C ATOM 461 OH TYR A 27 10.459 -8.893 8.824 1.00 0.00 O ATOM 0 H TYR A 27 3.962 -12.818 6.162 1.00 0.00 H new ATOM 0 HA TYR A 27 6.732 -13.557 6.765 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.361 -11.279 6.528 1.00 0.00 H new ATOM 0 HB3 TYR A 27 5.000 -11.607 8.212 1.00 0.00 H new ATOM 0 HD1 TYR A 27 8.393 -12.544 7.014 1.00 0.00 H new ATOM 0 HD2 TYR A 27 5.944 -9.407 8.651 1.00 0.00 H new ATOM 0 HE1 TYR A 27 10.432 -11.242 7.569 1.00 0.00 H new ATOM 0 HE2 TYR A 27 7.974 -8.144 9.303 1.00 0.00 H new ATOM 0 HH TYR A 27 10.192 -8.065 9.276 1.00 0.00 H new ATOM 471 N VAL A 28 6.512 -14.892 8.833 1.00 0.00 N ATOM 472 CA VAL A 28 6.362 -15.861 9.932 1.00 0.00 C ATOM 473 C VAL A 28 7.430 -15.704 11.021 1.00 0.00 C ATOM 474 O VAL A 28 7.353 -16.364 12.059 1.00 0.00 O ATOM 475 CB VAL A 28 6.316 -17.309 9.394 1.00 0.00 C ATOM 476 CG1 VAL A 28 5.091 -17.545 8.498 1.00 0.00 C ATOM 477 CG2 VAL A 28 7.595 -17.711 8.644 1.00 0.00 C ATOM 0 H VAL A 28 7.465 -14.818 8.476 1.00 0.00 H new ATOM 0 HA VAL A 28 5.407 -15.641 10.409 1.00 0.00 H new ATOM 0 HB VAL A 28 6.237 -17.945 10.276 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.095 -18.574 8.140 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.181 -17.363 9.070 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.126 -16.865 7.647 1.00 0.00 H new ATOM 0 HG21 VAL A 28 7.502 -18.738 8.291 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.742 -17.046 7.793 1.00 0.00 H new ATOM 0 HG23 VAL A 28 8.450 -17.635 9.316 1.00 0.00 H new ATOM 487 N GLY A 29 8.406 -14.822 10.823 1.00 0.00 N ATOM 488 CA GLY A 29 9.448 -14.513 11.785 1.00 0.00 C ATOM 489 C GLY A 29 10.112 -13.217 11.355 1.00 0.00 C ATOM 490 O GLY A 29 9.725 -12.631 10.345 1.00 0.00 O ATOM 0 H GLY A 29 8.492 -14.288 9.958 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.026 -14.412 12.785 1.00 0.00 H new ATOM 0 HA3 GLY A 29 10.179 -15.320 11.828 1.00 0.00 H new ATOM 494 N ASP A 30 11.120 -12.764 12.097 1.00 0.00 N ATOM 495 CA ASP A 30 11.816 -11.495 11.858 1.00 0.00 C ATOM 496 C ASP A 30 12.811 -11.603 10.682 1.00 0.00 C ATOM 497 O ASP A 30 13.956 -11.155 10.760 1.00 0.00 O ATOM 498 CB ASP A 30 12.484 -11.037 13.166 1.00 0.00 C ATOM 499 CG ASP A 30 13.107 -9.632 13.059 1.00 0.00 C ATOM 500 OD1 ASP A 30 12.453 -8.704 12.532 1.00 0.00 O ATOM 501 OD2 ASP A 30 14.236 -9.429 13.564 1.00 0.00 O ATOM 0 H ASP A 30 11.486 -13.277 12.899 1.00 0.00 H new ATOM 0 HA ASP A 30 11.095 -10.735 11.558 1.00 0.00 H new ATOM 0 HB2 ASP A 30 11.745 -11.041 13.967 1.00 0.00 H new ATOM 0 HB3 ASP A 30 13.258 -11.752 13.443 1.00 0.00 H new ATOM 506 N GLY A 31 12.407 -12.277 9.602 1.00 0.00 N ATOM 507 CA GLY A 31 13.213 -12.499 8.407 1.00 0.00 C ATOM 508 C GLY A 31 12.675 -13.633 7.538 1.00 0.00 C ATOM 509 O GLY A 31 12.847 -13.590 6.321 1.00 0.00 O ATOM 0 H GLY A 31 11.479 -12.695 9.537 1.00 0.00 H new ATOM 0 HA2 GLY A 31 13.246 -11.581 7.820 1.00 0.00 H new ATOM 0 HA3 GLY A 31 14.238 -12.727 8.701 1.00 0.00 H new ATOM 513 N TYR A 32 12.018 -14.639 8.126 1.00 0.00 N ATOM 514 CA TYR A 32 11.494 -15.777 7.376 1.00 0.00 C ATOM 515 C TYR A 32 10.079 -15.510 6.874 1.00 0.00 C ATOM 516 O TYR A 32 9.267 -14.860 7.543 1.00 0.00 O ATOM 517 CB TYR A 32 11.510 -17.049 8.231 1.00 0.00 C ATOM 518 CG TYR A 32 12.896 -17.625 8.449 1.00 0.00 C ATOM 519 CD1 TYR A 32 13.502 -18.398 7.436 1.00 0.00 C ATOM 520 CD2 TYR A 32 13.583 -17.390 9.656 1.00 0.00 C ATOM 521 CE1 TYR A 32 14.782 -18.944 7.633 1.00 0.00 C ATOM 522 CE2 TYR A 32 14.868 -17.926 9.856 1.00 0.00 C ATOM 523 CZ TYR A 32 15.474 -18.707 8.843 1.00 0.00 C ATOM 524 OH TYR A 32 16.720 -19.231 9.018 1.00 0.00 O ATOM 0 H TYR A 32 11.837 -14.684 9.129 1.00 0.00 H new ATOM 0 HA TYR A 32 12.144 -15.922 6.513 1.00 0.00 H new ATOM 0 HB2 TYR A 32 11.062 -16.829 9.200 1.00 0.00 H new ATOM 0 HB3 TYR A 32 10.884 -17.804 7.754 1.00 0.00 H new ATOM 0 HD1 TYR A 32 12.981 -18.571 6.506 1.00 0.00 H new ATOM 0 HD2 TYR A 32 13.121 -16.796 10.431 1.00 0.00 H new ATOM 0 HE1 TYR A 32 15.237 -19.545 6.860 1.00 0.00 H new ATOM 0 HE2 TYR A 32 15.392 -17.742 10.782 1.00 0.00 H new ATOM 0 HH TYR A 32 17.061 -18.977 9.901 1.00 0.00 H new ATOM 534 N VAL A 33 9.764 -16.119 5.737 1.00 0.00 N ATOM 535 CA VAL A 33 8.442 -16.169 5.146 1.00 0.00 C ATOM 536 C VAL A 33 8.122 -17.612 4.757 1.00 0.00 C ATOM 537 O VAL A 33 9.023 -18.412 4.499 1.00 0.00 O ATOM 538 CB VAL A 33 8.349 -15.261 3.901 1.00 0.00 C ATOM 539 CG1 VAL A 33 8.301 -13.771 4.240 1.00 0.00 C ATOM 540 CG2 VAL A 33 9.473 -15.488 2.877 1.00 0.00 C ATOM 0 H VAL A 33 10.460 -16.613 5.179 1.00 0.00 H new ATOM 0 HA VAL A 33 7.721 -15.808 5.879 1.00 0.00 H new ATOM 0 HB VAL A 33 7.402 -15.558 3.450 1.00 0.00 H new ATOM 0 HG11 VAL A 33 8.236 -13.190 3.320 1.00 0.00 H new ATOM 0 HG12 VAL A 33 7.428 -13.567 4.860 1.00 0.00 H new ATOM 0 HG13 VAL A 33 9.205 -13.492 4.782 1.00 0.00 H new ATOM 0 HG21 VAL A 33 9.337 -14.813 2.032 1.00 0.00 H new ATOM 0 HG22 VAL A 33 10.437 -15.293 3.346 1.00 0.00 H new ATOM 0 HG23 VAL A 33 9.442 -16.519 2.526 1.00 0.00 H new ATOM 550 N VAL A 34 6.834 -17.929 4.682 1.00 0.00 N ATOM 551 CA VAL A 34 6.315 -19.143 4.071 1.00 0.00 C ATOM 552 C VAL A 34 5.786 -18.702 2.708 1.00 0.00 C ATOM 553 O VAL A 34 5.266 -17.591 2.575 1.00 0.00 O ATOM 554 CB VAL A 34 5.245 -19.766 4.991 1.00 0.00 C ATOM 555 CG1 VAL A 34 4.342 -20.789 4.291 1.00 0.00 C ATOM 556 CG2 VAL A 34 5.945 -20.422 6.184 1.00 0.00 C ATOM 0 H VAL A 34 6.101 -17.328 5.057 1.00 0.00 H new ATOM 0 HA VAL A 34 7.060 -19.927 3.936 1.00 0.00 H new ATOM 0 HB VAL A 34 4.588 -18.957 5.311 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.617 -21.182 5.003 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.817 -20.307 3.467 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.950 -21.607 3.905 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.200 -20.867 6.843 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.623 -21.197 5.827 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.512 -19.669 6.732 1.00 0.00 H new ATOM 566 N HIS A 35 5.932 -19.531 1.677 1.00 0.00 N ATOM 567 CA HIS A 35 5.473 -19.192 0.336 1.00 0.00 C ATOM 568 C HIS A 35 5.263 -20.445 -0.506 1.00 0.00 C ATOM 569 O HIS A 35 5.720 -21.536 -0.153 1.00 0.00 O ATOM 570 CB HIS A 35 6.449 -18.211 -0.340 1.00 0.00 C ATOM 571 CG HIS A 35 7.751 -18.784 -0.851 1.00 0.00 C ATOM 572 ND1 HIS A 35 8.344 -18.428 -2.066 1.00 0.00 N ATOM 573 CD2 HIS A 35 8.570 -19.663 -0.197 1.00 0.00 C ATOM 574 CE1 HIS A 35 9.502 -19.108 -2.117 1.00 0.00 C ATOM 575 NE2 HIS A 35 9.664 -19.853 -1.011 1.00 0.00 N ATOM 0 H HIS A 35 6.369 -20.450 1.748 1.00 0.00 H new ATOM 0 HA HIS A 35 4.507 -18.694 0.421 1.00 0.00 H new ATOM 0 HB2 HIS A 35 5.933 -17.742 -1.178 1.00 0.00 H new ATOM 0 HB3 HIS A 35 6.683 -17.420 0.373 1.00 0.00 H new ATOM 0 HD1 HIS A 35 7.975 -17.786 -2.767 1.00 0.00 H new ATOM 0 HD2 HIS A 35 8.393 -20.118 0.767 1.00 0.00 H new ATOM 0 HE1 HIS A 35 10.206 -19.062 -2.935 1.00 0.00 H new ATOM 583 N LEU A 36 4.560 -20.274 -1.624 1.00 0.00 N ATOM 584 CA LEU A 36 4.372 -21.311 -2.628 1.00 0.00 C ATOM 585 C LEU A 36 5.620 -21.296 -3.512 1.00 0.00 C ATOM 586 O LEU A 36 6.105 -20.219 -3.864 1.00 0.00 O ATOM 587 CB LEU A 36 3.090 -20.981 -3.424 1.00 0.00 C ATOM 588 CG LEU A 36 2.195 -22.178 -3.778 1.00 0.00 C ATOM 589 CD1 LEU A 36 2.833 -23.119 -4.792 1.00 0.00 C ATOM 590 CD2 LEU A 36 1.736 -22.954 -2.539 1.00 0.00 C ATOM 0 H LEU A 36 4.099 -19.395 -1.858 1.00 0.00 H new ATOM 0 HA LEU A 36 4.250 -22.306 -2.199 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.500 -20.269 -2.847 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.378 -20.481 -4.349 1.00 0.00 H new ATOM 0 HG LEU A 36 1.312 -21.744 -4.248 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.152 -23.944 -5.001 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.038 -22.575 -5.714 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.766 -23.512 -4.387 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.106 -23.789 -2.845 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.607 -23.333 -2.004 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.168 -22.292 -1.885 1.00 0.00 H new ATOM 602 N ALA A 37 6.163 -22.462 -3.862 1.00 0.00 N ATOM 603 CA ALA A 37 7.459 -22.589 -4.516 1.00 0.00 C ATOM 604 C ALA A 37 7.505 -23.850 -5.389 1.00 0.00 C ATOM 605 O ALA A 37 6.753 -24.796 -5.136 1.00 0.00 O ATOM 606 CB ALA A 37 8.530 -22.677 -3.422 1.00 0.00 C ATOM 0 H ALA A 37 5.705 -23.358 -3.695 1.00 0.00 H new ATOM 0 HA ALA A 37 7.634 -21.728 -5.161 1.00 0.00 H new ATOM 0 HB1 ALA A 37 9.513 -22.773 -3.882 1.00 0.00 H new ATOM 0 HB2 ALA A 37 8.502 -21.774 -2.812 1.00 0.00 H new ATOM 0 HB3 ALA A 37 8.337 -23.546 -2.793 1.00 0.00 H new ATOM 612 N PRO A 38 8.376 -23.899 -6.413 1.00 0.00 N ATOM 613 CA PRO A 38 8.617 -25.117 -7.176 1.00 0.00 C ATOM 614 C PRO A 38 9.385 -26.136 -6.317 1.00 0.00 C ATOM 615 O PRO A 38 10.013 -25.753 -5.322 1.00 0.00 O ATOM 616 CB PRO A 38 9.436 -24.667 -8.393 1.00 0.00 C ATOM 617 CG PRO A 38 10.208 -23.456 -7.874 1.00 0.00 C ATOM 618 CD PRO A 38 9.223 -22.815 -6.897 1.00 0.00 C ATOM 0 HA PRO A 38 7.696 -25.612 -7.483 1.00 0.00 H new ATOM 0 HB2 PRO A 38 10.107 -25.453 -8.738 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.794 -24.404 -9.234 1.00 0.00 H new ATOM 0 HG2 PRO A 38 11.134 -23.749 -7.380 1.00 0.00 H new ATOM 0 HG3 PRO A 38 10.479 -22.774 -8.680 1.00 0.00 H new ATOM 0 HD2 PRO A 38 9.749 -22.333 -6.073 1.00 0.00 H new ATOM 0 HD3 PRO A 38 8.629 -22.046 -7.390 1.00 0.00 H new ATOM 626 N PRO A 39 9.423 -27.423 -6.717 1.00 0.00 N ATOM 627 CA PRO A 39 10.250 -28.420 -6.043 1.00 0.00 C ATOM 628 C PRO A 39 11.729 -28.024 -6.100 1.00 0.00 C ATOM 629 O PRO A 39 12.422 -28.109 -5.084 1.00 0.00 O ATOM 630 CB PRO A 39 9.953 -29.756 -6.731 1.00 0.00 C ATOM 631 CG PRO A 39 9.395 -29.360 -8.098 1.00 0.00 C ATOM 632 CD PRO A 39 8.705 -28.023 -7.834 1.00 0.00 C ATOM 0 HA PRO A 39 10.020 -28.497 -4.980 1.00 0.00 H new ATOM 0 HB2 PRO A 39 10.854 -30.362 -6.829 1.00 0.00 H new ATOM 0 HB3 PRO A 39 9.233 -30.345 -6.163 1.00 0.00 H new ATOM 0 HG2 PRO A 39 10.187 -29.262 -8.841 1.00 0.00 H new ATOM 0 HG3 PRO A 39 8.694 -30.105 -8.475 1.00 0.00 H new ATOM 0 HD2 PRO A 39 8.744 -27.382 -8.714 1.00 0.00 H new ATOM 0 HD3 PRO A 39 7.652 -28.167 -7.591 1.00 0.00 H new ATOM 846 N LYS A 57 1.915 -29.232 -10.724 1.00 0.00 N ATOM 847 CA LYS A 57 1.910 -29.188 -9.266 1.00 0.00 C ATOM 848 C LYS A 57 2.968 -28.202 -8.756 1.00 0.00 C ATOM 849 O LYS A 57 3.784 -27.704 -9.536 1.00 0.00 O ATOM 850 CB LYS A 57 2.123 -30.612 -8.722 1.00 0.00 C ATOM 851 CG LYS A 57 3.435 -31.266 -9.190 1.00 0.00 C ATOM 852 CD LYS A 57 3.758 -32.542 -8.406 1.00 0.00 C ATOM 853 CE LYS A 57 2.676 -33.626 -8.542 1.00 0.00 C ATOM 854 NZ LYS A 57 2.939 -34.788 -7.661 1.00 0.00 N ATOM 0 HA LYS A 57 0.948 -28.827 -8.903 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.112 -30.580 -7.633 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.286 -31.238 -9.031 1.00 0.00 H new ATOM 0 HG2 LYS A 57 3.362 -31.503 -10.252 1.00 0.00 H new ATOM 0 HG3 LYS A 57 4.254 -30.555 -9.077 1.00 0.00 H new ATOM 0 HD2 LYS A 57 4.710 -32.943 -8.753 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.882 -32.292 -7.352 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.703 -33.199 -8.298 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.627 -33.961 -9.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.195 -35.502 -7.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.863 -35.202 -7.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.944 -34.477 -6.669 1.00 0.00 H new ATOM 868 N ALA A 58 2.976 -27.953 -7.448 1.00 0.00 N ATOM 869 CA ALA A 58 3.940 -27.104 -6.745 1.00 0.00 C ATOM 870 C ALA A 58 4.008 -27.512 -5.265 1.00 0.00 C ATOM 871 O ALA A 58 3.427 -28.530 -4.889 1.00 0.00 O ATOM 872 CB ALA A 58 3.534 -25.640 -6.916 1.00 0.00 C ATOM 0 H ALA A 58 2.280 -28.355 -6.820 1.00 0.00 H new ATOM 0 HA ALA A 58 4.937 -27.231 -7.166 1.00 0.00 H new ATOM 0 HB1 ALA A 58 4.247 -25.001 -6.395 1.00 0.00 H new ATOM 0 HB2 ALA A 58 3.526 -25.386 -7.976 1.00 0.00 H new ATOM 0 HB3 ALA A 58 2.539 -25.487 -6.499 1.00 0.00 H new ATOM 878 N ILE A 59 4.721 -26.763 -4.417 1.00 0.00 N ATOM 879 CA ILE A 59 5.042 -27.136 -3.034 1.00 0.00 C ATOM 880 C ILE A 59 4.967 -25.890 -2.144 1.00 0.00 C ATOM 881 O ILE A 59 5.112 -24.763 -2.614 1.00 0.00 O ATOM 882 CB ILE A 59 6.423 -27.861 -2.998 1.00 0.00 C ATOM 883 CG1 ILE A 59 6.246 -29.321 -3.471 1.00 0.00 C ATOM 884 CG2 ILE A 59 7.105 -27.892 -1.616 1.00 0.00 C ATOM 885 CD1 ILE A 59 7.513 -30.181 -3.495 1.00 0.00 C ATOM 0 H ILE A 59 5.102 -25.854 -4.681 1.00 0.00 H new ATOM 0 HA ILE A 59 4.316 -27.844 -2.636 1.00 0.00 H new ATOM 0 HB ILE A 59 7.069 -27.280 -3.656 1.00 0.00 H new ATOM 0 HG12 ILE A 59 5.515 -29.805 -2.823 1.00 0.00 H new ATOM 0 HG13 ILE A 59 5.822 -29.307 -4.475 1.00 0.00 H new ATOM 0 HG21 ILE A 59 8.058 -28.416 -1.692 1.00 0.00 H new ATOM 0 HG22 ILE A 59 7.279 -26.872 -1.273 1.00 0.00 H new ATOM 0 HG23 ILE A 59 6.462 -28.410 -0.904 1.00 0.00 H new ATOM 0 HD11 ILE A 59 7.266 -31.184 -3.843 1.00 0.00 H new ATOM 0 HD12 ILE A 59 8.244 -29.733 -4.168 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.932 -30.239 -2.491 1.00 0.00 H new ATOM 897 N VAL A 60 4.750 -26.095 -0.845 1.00 0.00 N ATOM 898 CA VAL A 60 4.793 -25.037 0.166 1.00 0.00 C ATOM 899 C VAL A 60 6.169 -25.097 0.843 1.00 0.00 C ATOM 900 O VAL A 60 6.561 -26.161 1.332 1.00 0.00 O ATOM 901 CB VAL A 60 3.652 -25.231 1.189 1.00 0.00 C ATOM 902 CG1 VAL A 60 3.578 -24.029 2.144 1.00 0.00 C ATOM 903 CG2 VAL A 60 2.270 -25.413 0.536 1.00 0.00 C ATOM 0 H VAL A 60 4.536 -27.015 -0.459 1.00 0.00 H new ATOM 0 HA VAL A 60 4.651 -24.057 -0.290 1.00 0.00 H new ATOM 0 HB VAL A 60 3.893 -26.147 1.729 1.00 0.00 H new ATOM 0 HG11 VAL A 60 2.769 -24.181 2.859 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.522 -23.932 2.680 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.390 -23.121 1.572 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.516 -25.544 1.312 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.030 -24.532 -0.059 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.285 -26.292 -0.108 1.00 0.00 H new ATOM 913 N LYS A 61 6.893 -23.973 0.913 1.00 0.00 N ATOM 914 CA LYS A 61 8.237 -23.886 1.496 1.00 0.00 C ATOM 915 C LYS A 61 8.310 -22.736 2.495 1.00 0.00 C ATOM 916 O LYS A 61 7.427 -21.878 2.534 1.00 0.00 O ATOM 917 CB LYS A 61 9.297 -23.703 0.391 1.00 0.00 C ATOM 918 CG LYS A 61 9.575 -25.018 -0.346 1.00 0.00 C ATOM 919 CD LYS A 61 10.746 -24.885 -1.328 1.00 0.00 C ATOM 920 CE LYS A 61 10.983 -26.217 -2.053 1.00 0.00 C ATOM 921 NZ LYS A 61 11.895 -26.060 -3.211 1.00 0.00 N ATOM 0 H LYS A 61 6.553 -23.079 0.558 1.00 0.00 H new ATOM 0 HA LYS A 61 8.444 -24.818 2.022 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.956 -22.951 -0.321 1.00 0.00 H new ATOM 0 HB3 LYS A 61 10.222 -23.329 0.831 1.00 0.00 H new ATOM 0 HG2 LYS A 61 9.796 -25.801 0.379 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.681 -25.328 -0.887 1.00 0.00 H new ATOM 0 HD2 LYS A 61 10.534 -24.100 -2.054 1.00 0.00 H new ATOM 0 HD3 LYS A 61 11.648 -24.589 -0.792 1.00 0.00 H new ATOM 0 HE2 LYS A 61 11.404 -26.941 -1.355 1.00 0.00 H new ATOM 0 HE3 LYS A 61 10.029 -26.620 -2.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 12.258 -26.992 -3.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 11.377 -25.633 -4.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 12.690 -25.445 -2.945 1.00 0.00 H new ATOM 935 N LYS A 62 9.400 -22.696 3.262 1.00 0.00 N ATOM 936 CA LYS A 62 9.764 -21.600 4.155 1.00 0.00 C ATOM 937 C LYS A 62 11.179 -21.176 3.772 1.00 0.00 C ATOM 938 O LYS A 62 12.034 -22.039 3.571 1.00 0.00 O ATOM 939 CB LYS A 62 9.676 -22.079 5.615 1.00 0.00 C ATOM 940 CG LYS A 62 10.035 -20.989 6.640 1.00 0.00 C ATOM 941 CD LYS A 62 9.991 -21.553 8.068 1.00 0.00 C ATOM 942 CE LYS A 62 10.473 -20.504 9.081 1.00 0.00 C ATOM 943 NZ LYS A 62 10.500 -21.036 10.469 1.00 0.00 N ATOM 0 H LYS A 62 10.079 -23.457 3.277 1.00 0.00 H new ATOM 0 HA LYS A 62 9.090 -20.749 4.062 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.664 -22.434 5.813 1.00 0.00 H new ATOM 0 HB3 LYS A 62 10.344 -22.929 5.751 1.00 0.00 H new ATOM 0 HG2 LYS A 62 11.030 -20.597 6.429 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.339 -20.155 6.551 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.974 -21.861 8.312 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.617 -22.443 8.132 1.00 0.00 H new ATOM 0 HE2 LYS A 62 11.471 -20.165 8.804 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.818 -19.634 9.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 10.831 -20.294 11.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.543 -21.336 10.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 11.145 -21.851 10.516 1.00 0.00 H new ATOM 957 N GLU A 63 11.427 -19.874 3.652 1.00 0.00 N ATOM 958 CA GLU A 63 12.696 -19.306 3.202 1.00 0.00 C ATOM 959 C GLU A 63 12.877 -17.934 3.853 1.00 0.00 C ATOM 960 O GLU A 63 11.908 -17.333 4.322 1.00 0.00 O ATOM 961 CB GLU A 63 12.686 -19.127 1.669 1.00 0.00 C ATOM 962 CG GLU A 63 12.749 -20.423 0.842 1.00 0.00 C ATOM 963 CD GLU A 63 14.018 -21.274 1.068 1.00 0.00 C ATOM 964 OE1 GLU A 63 15.036 -20.775 1.600 1.00 0.00 O ATOM 965 OE2 GLU A 63 14.023 -22.459 0.660 1.00 0.00 O ATOM 0 H GLU A 63 10.729 -19.163 3.872 1.00 0.00 H new ATOM 0 HA GLU A 63 13.509 -19.977 3.481 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.782 -18.585 1.392 1.00 0.00 H new ATOM 0 HB3 GLU A 63 13.532 -18.499 1.390 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.875 -21.030 1.077 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.684 -20.166 -0.215 1.00 0.00 H new ATOM 972 N LEU A 64 14.110 -17.422 3.895 1.00 0.00 N ATOM 973 CA LEU A 64 14.348 -16.026 4.255 1.00 0.00 C ATOM 974 C LEU A 64 13.776 -15.155 3.146 1.00 0.00 C ATOM 975 O LEU A 64 13.989 -15.427 1.963 1.00 0.00 O ATOM 976 CB LEU A 64 15.844 -15.707 4.415 1.00 0.00 C ATOM 977 CG LEU A 64 16.462 -16.287 5.694 1.00 0.00 C ATOM 978 CD1 LEU A 64 17.986 -16.147 5.679 1.00 0.00 C ATOM 979 CD2 LEU A 64 15.917 -15.619 6.967 1.00 0.00 C ATOM 0 H LEU A 64 14.955 -17.953 3.685 1.00 0.00 H new ATOM 0 HA LEU A 64 13.870 -15.832 5.215 1.00 0.00 H new ATOM 0 HB2 LEU A 64 16.384 -16.096 3.552 1.00 0.00 H new ATOM 0 HB3 LEU A 64 15.978 -14.625 4.415 1.00 0.00 H new ATOM 0 HG LEU A 64 16.184 -17.341 5.712 1.00 0.00 H new ATOM 0 HD11 LEU A 64 18.399 -16.566 6.597 1.00 0.00 H new ATOM 0 HD12 LEU A 64 18.392 -16.683 4.821 1.00 0.00 H new ATOM 0 HD13 LEU A 64 18.254 -15.093 5.609 1.00 0.00 H new ATOM 0 HD21 LEU A 64 16.387 -16.067 7.843 1.00 0.00 H new ATOM 0 HD22 LEU A 64 16.139 -14.552 6.942 1.00 0.00 H new ATOM 0 HD23 LEU A 64 14.838 -15.764 7.021 1.00 0.00 H new ATOM 991 N LEU A 65 13.110 -14.067 3.526 1.00 0.00 N ATOM 992 CA LEU A 65 12.491 -13.133 2.596 1.00 0.00 C ATOM 993 C LEU A 65 13.531 -12.568 1.628 1.00 0.00 C ATOM 994 O LEU A 65 13.207 -12.359 0.464 1.00 0.00 O ATOM 995 CB LEU A 65 11.783 -12.023 3.390 1.00 0.00 C ATOM 996 CG LEU A 65 10.551 -11.413 2.694 1.00 0.00 C ATOM 997 CD1 LEU A 65 9.865 -10.472 3.698 1.00 0.00 C ATOM 998 CD2 LEU A 65 10.831 -10.647 1.405 1.00 0.00 C ATOM 0 H LEU A 65 12.985 -13.808 4.505 1.00 0.00 H new ATOM 0 HA LEU A 65 11.746 -13.653 1.993 1.00 0.00 H new ATOM 0 HB2 LEU A 65 11.475 -12.426 4.355 1.00 0.00 H new ATOM 0 HB3 LEU A 65 12.500 -11.227 3.592 1.00 0.00 H new ATOM 0 HG LEU A 65 9.924 -12.252 2.391 1.00 0.00 H new ATOM 0 HD11 LEU A 65 8.987 -10.023 3.234 1.00 0.00 H new ATOM 0 HD12 LEU A 65 9.561 -11.038 4.578 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.560 -9.687 3.994 1.00 0.00 H new ATOM 0 HD21 LEU A 65 9.895 -10.261 1.000 1.00 0.00 H new ATOM 0 HD22 LEU A 65 11.505 -9.817 1.614 1.00 0.00 H new ATOM 0 HD23 LEU A 65 11.293 -11.315 0.678 1.00 0.00 H new ATOM 1010 N TYR A 66 14.784 -12.378 2.061 1.00 0.00 N ATOM 1011 CA TYR A 66 15.820 -11.826 1.187 1.00 0.00 C ATOM 1012 C TYR A 66 16.004 -12.696 -0.063 1.00 0.00 C ATOM 1013 O TYR A 66 16.208 -12.160 -1.155 1.00 0.00 O ATOM 1014 CB TYR A 66 17.136 -11.589 1.952 1.00 0.00 C ATOM 1015 CG TYR A 66 18.215 -12.644 1.782 1.00 0.00 C ATOM 1016 CD1 TYR A 66 19.010 -12.643 0.618 1.00 0.00 C ATOM 1017 CD2 TYR A 66 18.424 -13.622 2.768 1.00 0.00 C ATOM 1018 CE1 TYR A 66 19.990 -13.632 0.426 1.00 0.00 C ATOM 1019 CE2 TYR A 66 19.402 -14.616 2.584 1.00 0.00 C ATOM 1020 CZ TYR A 66 20.188 -14.629 1.409 1.00 0.00 C ATOM 1021 OH TYR A 66 21.130 -15.599 1.242 1.00 0.00 O ATOM 0 H TYR A 66 15.101 -12.598 3.005 1.00 0.00 H new ATOM 0 HA TYR A 66 15.490 -10.846 0.841 1.00 0.00 H new ATOM 0 HB2 TYR A 66 17.545 -10.628 1.639 1.00 0.00 H new ATOM 0 HB3 TYR A 66 16.904 -11.506 3.014 1.00 0.00 H new ATOM 0 HD1 TYR A 66 18.865 -11.878 -0.130 1.00 0.00 H new ATOM 0 HD2 TYR A 66 17.832 -13.611 3.671 1.00 0.00 H new ATOM 0 HE1 TYR A 66 20.591 -13.630 -0.471 1.00 0.00 H new ATOM 0 HE2 TYR A 66 19.553 -15.371 3.342 1.00 0.00 H new ATOM 0 HH TYR A 66 21.125 -16.197 2.019 1.00 0.00 H new ATOM 1031 N ASP A 67 15.898 -14.023 0.078 1.00 0.00 N ATOM 1032 CA ASP A 67 15.985 -14.932 -1.061 1.00 0.00 C ATOM 1033 C ASP A 67 14.747 -14.796 -1.950 1.00 0.00 C ATOM 1034 O ASP A 67 14.877 -14.667 -3.167 1.00 0.00 O ATOM 1035 CB ASP A 67 16.135 -16.384 -0.600 1.00 0.00 C ATOM 1036 CG ASP A 67 16.188 -17.325 -1.815 1.00 0.00 C ATOM 1037 OD1 ASP A 67 17.248 -17.401 -2.475 1.00 0.00 O ATOM 1038 OD2 ASP A 67 15.178 -18.002 -2.108 1.00 0.00 O ATOM 0 H ASP A 67 15.752 -14.488 0.974 1.00 0.00 H new ATOM 0 HA ASP A 67 16.870 -14.660 -1.636 1.00 0.00 H new ATOM 0 HB2 ASP A 67 17.043 -16.493 -0.007 1.00 0.00 H new ATOM 0 HB3 ASP A 67 15.299 -16.657 0.044 1.00 0.00 H new ATOM 1043 N VAL A 68 13.552 -14.773 -1.351 1.00 0.00 N ATOM 1044 CA VAL A 68 12.289 -14.721 -2.089 1.00 0.00 C ATOM 1045 C VAL A 68 12.187 -13.408 -2.886 1.00 0.00 C ATOM 1046 O VAL A 68 11.786 -13.424 -4.053 1.00 0.00 O ATOM 1047 CB VAL A 68 11.092 -14.945 -1.130 1.00 0.00 C ATOM 1048 CG1 VAL A 68 9.797 -15.140 -1.929 1.00 0.00 C ATOM 1049 CG2 VAL A 68 11.277 -16.208 -0.270 1.00 0.00 C ATOM 0 H VAL A 68 13.435 -14.790 -0.338 1.00 0.00 H new ATOM 0 HA VAL A 68 12.260 -15.531 -2.818 1.00 0.00 H new ATOM 0 HB VAL A 68 11.039 -14.063 -0.492 1.00 0.00 H new ATOM 0 HG11 VAL A 68 8.965 -15.296 -1.242 1.00 0.00 H new ATOM 0 HG12 VAL A 68 9.606 -14.254 -2.534 1.00 0.00 H new ATOM 0 HG13 VAL A 68 9.898 -16.009 -2.579 1.00 0.00 H new ATOM 0 HG21 VAL A 68 10.417 -16.329 0.388 1.00 0.00 H new ATOM 0 HG22 VAL A 68 11.364 -17.080 -0.918 1.00 0.00 H new ATOM 0 HG23 VAL A 68 12.182 -16.110 0.330 1.00 0.00 H new ATOM 1059 N ALA A 69 12.601 -12.287 -2.288 1.00 0.00 N ATOM 1060 CA ALA A 69 12.613 -10.961 -2.895 1.00 0.00 C ATOM 1061 C ALA A 69 13.692 -10.792 -3.969 1.00 0.00 C ATOM 1062 O ALA A 69 13.732 -9.745 -4.620 1.00 0.00 O ATOM 1063 CB ALA A 69 12.827 -9.916 -1.796 1.00 0.00 C ATOM 0 H ALA A 69 12.950 -12.283 -1.330 1.00 0.00 H new ATOM 0 HA ALA A 69 11.652 -10.827 -3.392 1.00 0.00 H new ATOM 0 HB1 ALA A 69 12.838 -8.920 -2.238 1.00 0.00 H new ATOM 0 HB2 ALA A 69 12.017 -9.982 -1.069 1.00 0.00 H new ATOM 0 HB3 ALA A 69 13.778 -10.102 -1.297 1.00 0.00 H new ATOM 1069 N GLY A 70 14.572 -11.783 -4.155 1.00 0.00 N ATOM 1070 CA GLY A 70 15.707 -11.706 -5.066 1.00 0.00 C ATOM 1071 C GLY A 70 15.310 -11.453 -6.524 1.00 0.00 C ATOM 1072 O GLY A 70 16.169 -11.072 -7.323 1.00 0.00 O ATOM 0 H GLY A 70 14.509 -12.675 -3.665 1.00 0.00 H new ATOM 0 HA2 GLY A 70 16.373 -10.908 -4.736 1.00 0.00 H new ATOM 0 HA3 GLY A 70 16.272 -12.637 -5.009 1.00 0.00 H new ATOM 1076 N SER A 71 14.038 -11.650 -6.883 1.00 0.00 N ATOM 1077 CA SER A 71 13.519 -11.361 -8.207 1.00 0.00 C ATOM 1078 C SER A 71 13.642 -9.877 -8.560 1.00 0.00 C ATOM 1079 O SER A 71 14.078 -9.554 -9.668 1.00 0.00 O ATOM 1080 CB SER A 71 12.078 -11.864 -8.277 1.00 0.00 C ATOM 1081 OG SER A 71 11.322 -11.513 -7.122 1.00 0.00 O ATOM 0 H SER A 71 13.334 -12.021 -6.245 1.00 0.00 H new ATOM 0 HA SER A 71 14.115 -11.881 -8.957 1.00 0.00 H new ATOM 0 HB2 SER A 71 11.595 -11.451 -9.163 1.00 0.00 H new ATOM 0 HB3 SER A 71 12.080 -12.948 -8.391 1.00 0.00 H new ATOM 0 HG SER A 71 10.795 -10.708 -7.308 1.00 0.00 H new ATOM 1087 N ASP A 72 13.303 -8.981 -7.626 1.00 0.00 N ATOM 1088 CA ASP A 72 13.500 -7.542 -7.770 1.00 0.00 C ATOM 1089 C ASP A 72 13.437 -6.809 -6.430 1.00 0.00 C ATOM 1090 O ASP A 72 14.417 -6.177 -6.033 1.00 0.00 O ATOM 1091 CB ASP A 72 12.460 -6.954 -8.727 1.00 0.00 C ATOM 1092 CG ASP A 72 12.694 -5.450 -8.914 1.00 0.00 C ATOM 1093 OD1 ASP A 72 13.688 -5.066 -9.572 1.00 0.00 O ATOM 1094 OD2 ASP A 72 11.880 -4.648 -8.412 1.00 0.00 O ATOM 0 H ASP A 72 12.878 -9.244 -6.737 1.00 0.00 H new ATOM 0 HA ASP A 72 14.500 -7.399 -8.179 1.00 0.00 H new ATOM 0 HB2 ASP A 72 12.517 -7.460 -9.691 1.00 0.00 H new ATOM 0 HB3 ASP A 72 11.458 -7.126 -8.335 1.00 0.00 H new ATOM 1099 N LYS A 73 12.303 -6.909 -5.729 1.00 0.00 N ATOM 1100 CA LYS A 73 12.053 -6.305 -4.414 1.00 0.00 C ATOM 1101 C LYS A 73 10.819 -6.963 -3.790 1.00 0.00 C ATOM 1102 O LYS A 73 10.297 -7.935 -4.335 1.00 0.00 O ATOM 1103 CB LYS A 73 11.925 -4.762 -4.508 1.00 0.00 C ATOM 1104 CG LYS A 73 10.632 -4.233 -5.160 1.00 0.00 C ATOM 1105 CD LYS A 73 10.524 -2.699 -5.121 1.00 0.00 C ATOM 1106 CE LYS A 73 11.601 -1.955 -5.928 1.00 0.00 C ATOM 1107 NZ LYS A 73 11.454 -2.136 -7.393 1.00 0.00 N ATOM 0 H LYS A 73 11.500 -7.434 -6.076 1.00 0.00 H new ATOM 0 HA LYS A 73 12.907 -6.488 -3.762 1.00 0.00 H new ATOM 0 HB2 LYS A 73 11.997 -4.349 -3.502 1.00 0.00 H new ATOM 0 HB3 LYS A 73 12.776 -4.380 -5.072 1.00 0.00 H new ATOM 0 HG2 LYS A 73 10.590 -4.569 -6.196 1.00 0.00 H new ATOM 0 HG3 LYS A 73 9.771 -4.666 -4.650 1.00 0.00 H new ATOM 0 HD2 LYS A 73 9.543 -2.408 -5.497 1.00 0.00 H new ATOM 0 HD3 LYS A 73 10.577 -2.372 -4.083 1.00 0.00 H new ATOM 0 HE2 LYS A 73 11.555 -0.892 -5.692 1.00 0.00 H new ATOM 0 HE3 LYS A 73 12.586 -2.307 -5.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 12.017 -1.416 -7.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 11.789 -3.083 -7.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 10.453 -2.035 -7.657 1.00 0.00 H new ATOM 1121 N TYR A 74 10.313 -6.428 -2.679 1.00 0.00 N ATOM 1122 CA TYR A 74 9.068 -6.867 -2.059 1.00 0.00 C ATOM 1123 C TYR A 74 8.379 -5.685 -1.379 1.00 0.00 C ATOM 1124 O TYR A 74 8.999 -4.635 -1.195 1.00 0.00 O ATOM 1125 CB TYR A 74 9.367 -7.983 -1.056 1.00 0.00 C ATOM 1126 CG TYR A 74 10.046 -7.534 0.233 1.00 0.00 C ATOM 1127 CD1 TYR A 74 11.441 -7.347 0.282 1.00 0.00 C ATOM 1128 CD2 TYR A 74 9.277 -7.327 1.396 1.00 0.00 C ATOM 1129 CE1 TYR A 74 12.073 -7.012 1.494 1.00 0.00 C ATOM 1130 CE2 TYR A 74 9.899 -6.993 2.611 1.00 0.00 C ATOM 1131 CZ TYR A 74 11.304 -6.851 2.670 1.00 0.00 C ATOM 1132 OH TYR A 74 11.903 -6.563 3.861 1.00 0.00 O ATOM 0 H TYR A 74 10.767 -5.664 -2.178 1.00 0.00 H new ATOM 0 HA TYR A 74 8.393 -7.257 -2.821 1.00 0.00 H new ATOM 0 HB2 TYR A 74 8.431 -8.480 -0.800 1.00 0.00 H new ATOM 0 HB3 TYR A 74 10.000 -8.726 -1.541 1.00 0.00 H new ATOM 0 HD1 TYR A 74 12.030 -7.461 -0.616 1.00 0.00 H new ATOM 0 HD2 TYR A 74 8.202 -7.426 1.353 1.00 0.00 H new ATOM 0 HE1 TYR A 74 13.144 -6.878 1.526 1.00 0.00 H new ATOM 0 HE2 TYR A 74 9.303 -6.845 3.500 1.00 0.00 H new ATOM 0 HH TYR A 74 11.221 -6.487 4.560 1.00 0.00 H new ATOM 1142 N GLN A 75 7.111 -5.860 -1.002 1.00 0.00 N ATOM 1143 CA GLN A 75 6.304 -4.879 -0.280 1.00 0.00 C ATOM 1144 C GLN A 75 5.375 -5.653 0.667 1.00 0.00 C ATOM 1145 O GLN A 75 5.036 -6.805 0.387 1.00 0.00 O ATOM 1146 CB GLN A 75 5.483 -4.014 -1.266 1.00 0.00 C ATOM 1147 CG GLN A 75 6.326 -3.324 -2.357 1.00 0.00 C ATOM 1148 CD GLN A 75 5.532 -2.347 -3.220 1.00 0.00 C ATOM 1149 OE1 GLN A 75 5.732 -1.135 -3.165 1.00 0.00 O ATOM 1150 NE2 GLN A 75 4.629 -2.820 -4.063 1.00 0.00 N ATOM 0 H GLN A 75 6.601 -6.721 -1.199 1.00 0.00 H new ATOM 0 HA GLN A 75 6.944 -4.202 0.285 1.00 0.00 H new ATOM 0 HB2 GLN A 75 4.733 -4.643 -1.746 1.00 0.00 H new ATOM 0 HB3 GLN A 75 4.946 -3.252 -0.702 1.00 0.00 H new ATOM 0 HG2 GLN A 75 7.150 -2.790 -1.884 1.00 0.00 H new ATOM 0 HG3 GLN A 75 6.767 -4.086 -2.999 1.00 0.00 H new ATOM 0 HE21 GLN A 75 4.457 -3.824 -4.115 1.00 0.00 H new ATOM 0 HE22 GLN A 75 4.105 -2.181 -4.661 1.00 0.00 H new ATOM 1159 N VAL A 76 4.946 -5.055 1.780 1.00 0.00 N ATOM 1160 CA VAL A 76 3.879 -5.631 2.596 1.00 0.00 C ATOM 1161 C VAL A 76 2.566 -5.180 1.947 1.00 0.00 C ATOM 1162 O VAL A 76 2.455 -4.030 1.511 1.00 0.00 O ATOM 1163 CB VAL A 76 4.044 -5.239 4.085 1.00 0.00 C ATOM 1164 CG1 VAL A 76 3.891 -3.739 4.370 1.00 0.00 C ATOM 1165 CG2 VAL A 76 3.086 -6.028 4.987 1.00 0.00 C ATOM 0 H VAL A 76 5.320 -4.175 2.135 1.00 0.00 H new ATOM 0 HA VAL A 76 3.902 -6.720 2.619 1.00 0.00 H new ATOM 0 HB VAL A 76 5.076 -5.500 4.318 1.00 0.00 H new ATOM 0 HG11 VAL A 76 4.022 -3.556 5.437 1.00 0.00 H new ATOM 0 HG12 VAL A 76 4.645 -3.184 3.811 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.898 -3.410 4.065 1.00 0.00 H new ATOM 0 HG21 VAL A 76 3.231 -5.726 6.024 1.00 0.00 H new ATOM 0 HG22 VAL A 76 2.057 -5.825 4.690 1.00 0.00 H new ATOM 0 HG23 VAL A 76 3.289 -7.094 4.888 1.00 0.00 H new ATOM 1175 N ASN A 77 1.585 -6.078 1.830 1.00 0.00 N ATOM 1176 CA ASN A 77 0.319 -5.779 1.160 1.00 0.00 C ATOM 1177 C ASN A 77 -0.790 -6.666 1.723 1.00 0.00 C ATOM 1178 O ASN A 77 -1.240 -7.613 1.077 1.00 0.00 O ATOM 1179 CB ASN A 77 0.448 -5.907 -0.369 1.00 0.00 C ATOM 1180 CG ASN A 77 -0.815 -5.448 -1.106 1.00 0.00 C ATOM 1181 OD1 ASN A 77 -1.808 -5.025 -0.516 1.00 0.00 O ATOM 1182 ND2 ASN A 77 -0.794 -5.482 -2.425 1.00 0.00 N ATOM 0 H ASN A 77 1.646 -7.028 2.195 1.00 0.00 H new ATOM 0 HA ASN A 77 0.052 -4.741 1.359 1.00 0.00 H new ATOM 0 HB2 ASN A 77 1.298 -5.316 -0.709 1.00 0.00 H new ATOM 0 HB3 ASN A 77 0.658 -6.945 -0.627 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -1.602 -5.157 -2.956 1.00 0.00 H new ATOM 0 HD22 ASN A 77 0.030 -5.833 -2.913 1.00 0.00 H new ATOM 1189 N ASN A 78 -1.193 -6.398 2.969 1.00 0.00 N ATOM 1190 CA ASN A 78 -2.365 -7.036 3.566 1.00 0.00 C ATOM 1191 C ASN A 78 -3.596 -6.638 2.750 1.00 0.00 C ATOM 1192 O ASN A 78 -4.003 -5.476 2.770 1.00 0.00 O ATOM 1193 CB ASN A 78 -2.542 -6.622 5.038 1.00 0.00 C ATOM 1194 CG ASN A 78 -1.538 -7.277 5.979 1.00 0.00 C ATOM 1195 OD1 ASN A 78 -1.182 -8.441 5.825 1.00 0.00 O ATOM 1196 ND2 ASN A 78 -1.059 -6.547 6.968 1.00 0.00 N ATOM 0 H ASN A 78 -0.719 -5.738 3.586 1.00 0.00 H new ATOM 0 HA ASN A 78 -2.233 -8.118 3.550 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -2.448 -5.539 5.116 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -3.551 -6.879 5.360 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -0.383 -6.949 7.618 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -1.365 -5.581 7.083 1.00 0.00 H new ATOM 1203 N LYS A 79 -4.212 -7.603 2.057 1.00 0.00 N ATOM 1204 CA LYS A 79 -5.379 -7.374 1.194 1.00 0.00 C ATOM 1205 C LYS A 79 -6.630 -6.932 1.972 1.00 0.00 C ATOM 1206 O LYS A 79 -7.600 -6.503 1.348 1.00 0.00 O ATOM 1207 CB LYS A 79 -5.683 -8.651 0.381 1.00 0.00 C ATOM 1208 CG LYS A 79 -4.612 -9.042 -0.660 1.00 0.00 C ATOM 1209 CD LYS A 79 -4.440 -8.065 -1.837 1.00 0.00 C ATOM 1210 CE LYS A 79 -5.706 -7.851 -2.683 1.00 0.00 C ATOM 1211 NZ LYS A 79 -6.130 -9.069 -3.422 1.00 0.00 N ATOM 0 H LYS A 79 -3.911 -8.577 2.079 1.00 0.00 H new ATOM 0 HA LYS A 79 -5.124 -6.552 0.525 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -5.811 -9.482 1.075 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -6.634 -8.516 -0.134 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -3.654 -9.140 -0.150 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -4.862 -10.025 -1.060 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -4.113 -7.101 -1.447 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -3.644 -8.434 -2.485 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -6.519 -7.527 -2.033 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -5.527 -7.046 -3.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -6.879 -8.821 -4.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -5.317 -9.464 -3.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -6.491 -9.775 -2.749 1.00 0.00 H new ATOM 1225 N HIS A 80 -6.628 -7.021 3.308 1.00 0.00 N ATOM 1226 CA HIS A 80 -7.803 -6.833 4.154 1.00 0.00 C ATOM 1227 C HIS A 80 -7.529 -5.859 5.279 1.00 0.00 C ATOM 1228 O HIS A 80 -8.205 -5.909 6.302 1.00 0.00 O ATOM 1229 CB HIS A 80 -8.261 -8.165 4.750 1.00 0.00 C ATOM 1230 CG HIS A 80 -8.500 -9.231 3.713 1.00 0.00 C ATOM 1231 ND1 HIS A 80 -9.611 -9.320 2.867 1.00 0.00 N ATOM 1232 CD2 HIS A 80 -7.585 -10.177 3.355 1.00 0.00 C ATOM 1233 CE1 HIS A 80 -9.336 -10.332 2.024 1.00 0.00 C ATOM 1234 NE2 HIS A 80 -8.126 -10.855 2.292 1.00 0.00 N ATOM 0 H HIS A 80 -5.784 -7.232 3.840 1.00 0.00 H new ATOM 0 HA HIS A 80 -8.590 -6.425 3.519 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -7.509 -8.517 5.456 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -9.179 -8.006 5.315 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -6.625 -10.357 3.817 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -9.995 -10.677 1.241 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -7.685 -11.626 1.790 1.00 0.00 H new ATOM 1242 N ASP A 81 -6.591 -4.931 5.126 1.00 0.00 N ATOM 1243 CA ASP A 81 -6.333 -3.907 6.143 1.00 0.00 C ATOM 1244 C ASP A 81 -7.437 -2.832 6.195 1.00 0.00 C ATOM 1245 O ASP A 81 -7.224 -1.697 6.617 1.00 0.00 O ATOM 1246 CB ASP A 81 -4.965 -3.292 5.860 1.00 0.00 C ATOM 1247 CG ASP A 81 -4.458 -2.384 6.995 1.00 0.00 C ATOM 1248 OD1 ASP A 81 -4.457 -2.816 8.170 1.00 0.00 O ATOM 1249 OD2 ASP A 81 -3.983 -1.260 6.710 1.00 0.00 O ATOM 0 H ASP A 81 -5.991 -4.863 4.304 1.00 0.00 H new ATOM 0 HA ASP A 81 -6.338 -4.375 7.127 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -4.243 -4.091 5.694 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -5.018 -2.713 4.938 1.00 0.00 H new ATOM 1254 N ASP A 82 -8.631 -3.201 5.735 1.00 0.00 N ATOM 1255 CA ASP A 82 -9.878 -2.441 5.869 1.00 0.00 C ATOM 1256 C ASP A 82 -11.039 -3.335 6.348 1.00 0.00 C ATOM 1257 O ASP A 82 -12.141 -2.845 6.588 1.00 0.00 O ATOM 1258 CB ASP A 82 -10.204 -1.777 4.523 1.00 0.00 C ATOM 1259 CG ASP A 82 -11.426 -0.846 4.598 1.00 0.00 C ATOM 1260 OD1 ASP A 82 -11.391 0.149 5.356 1.00 0.00 O ATOM 1261 OD2 ASP A 82 -12.404 -1.063 3.845 1.00 0.00 O ATOM 0 H ASP A 82 -8.764 -4.080 5.234 1.00 0.00 H new ATOM 0 HA ASP A 82 -9.745 -1.671 6.629 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -9.339 -1.207 4.185 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -10.387 -2.550 3.777 1.00 0.00 H new ATOM 1266 N LYS A 83 -10.802 -4.646 6.507 1.00 0.00 N ATOM 1267 CA LYS A 83 -11.829 -5.672 6.742 1.00 0.00 C ATOM 1268 C LYS A 83 -11.441 -6.604 7.894 1.00 0.00 C ATOM 1269 O LYS A 83 -12.327 -7.035 8.633 1.00 0.00 O ATOM 1270 CB LYS A 83 -12.043 -6.523 5.474 1.00 0.00 C ATOM 1271 CG LYS A 83 -12.245 -5.766 4.148 1.00 0.00 C ATOM 1272 CD LYS A 83 -13.510 -4.894 4.091 1.00 0.00 C ATOM 1273 CE LYS A 83 -14.793 -5.737 4.155 1.00 0.00 C ATOM 1274 NZ LYS A 83 -16.017 -4.906 4.041 1.00 0.00 N ATOM 0 H LYS A 83 -9.859 -5.034 6.474 1.00 0.00 H new ATOM 0 HA LYS A 83 -12.749 -5.148 7.002 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -11.183 -7.182 5.360 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -12.913 -7.159 5.636 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -11.376 -5.133 3.971 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -12.283 -6.490 3.334 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -13.500 -4.186 4.919 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -13.506 -4.309 3.171 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -14.781 -6.475 3.353 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -14.817 -6.288 5.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -16.857 -5.517 4.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -16.044 -4.218 4.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -16.009 -4.399 3.133 1.00 0.00 H new ATOM 1288 N TYR A 84 -10.135 -6.835 8.073 1.00 0.00 N ATOM 1289 CA TYR A 84 -9.475 -7.503 9.187 1.00 0.00 C ATOM 1290 C TYR A 84 -9.742 -8.994 9.330 1.00 0.00 C ATOM 1291 O TYR A 84 -10.862 -9.491 9.202 1.00 0.00 O ATOM 1292 CB TYR A 84 -9.714 -6.744 10.491 1.00 0.00 C ATOM 1293 CG TYR A 84 -9.489 -5.261 10.298 1.00 0.00 C ATOM 1294 CD1 TYR A 84 -8.238 -4.825 9.828 1.00 0.00 C ATOM 1295 CD2 TYR A 84 -10.566 -4.361 10.396 1.00 0.00 C ATOM 1296 CE1 TYR A 84 -8.050 -3.474 9.492 1.00 0.00 C ATOM 1297 CE2 TYR A 84 -10.390 -3.013 10.044 1.00 0.00 C ATOM 1298 CZ TYR A 84 -9.122 -2.557 9.611 1.00 0.00 C ATOM 1299 OH TYR A 84 -8.935 -1.247 9.291 1.00 0.00 O ATOM 0 H TYR A 84 -9.457 -6.529 7.375 1.00 0.00 H new ATOM 0 HA TYR A 84 -8.414 -7.470 8.940 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -10.732 -6.920 10.838 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -9.044 -7.120 11.264 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -7.424 -5.527 9.725 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -11.529 -4.707 10.742 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -7.086 -3.134 9.142 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -11.221 -2.325 10.104 1.00 0.00 H new ATOM 0 HH TYR A 84 -8.395 -1.183 8.475 1.00 0.00 H new ATOM 1309 N SER A 85 -8.648 -9.702 9.594 1.00 0.00 N ATOM 1310 CA SER A 85 -8.613 -11.155 9.614 1.00 0.00 C ATOM 1311 C SER A 85 -9.499 -11.746 10.720 1.00 0.00 C ATOM 1312 O SER A 85 -9.479 -11.243 11.848 1.00 0.00 O ATOM 1313 CB SER A 85 -7.165 -11.609 9.792 1.00 0.00 C ATOM 1314 OG SER A 85 -6.413 -11.204 8.664 1.00 0.00 O ATOM 0 H SER A 85 -7.747 -9.272 9.803 1.00 0.00 H new ATOM 0 HA SER A 85 -9.012 -11.520 8.667 1.00 0.00 H new ATOM 0 HB2 SER A 85 -6.744 -11.177 10.700 1.00 0.00 H new ATOM 0 HB3 SER A 85 -7.121 -12.692 9.904 1.00 0.00 H new ATOM 0 HG SER A 85 -6.324 -11.957 8.043 1.00 0.00 H new ATOM 1320 N PRO A 86 -10.221 -12.853 10.444 1.00 0.00 N ATOM 1321 CA PRO A 86 -10.904 -13.632 11.474 1.00 0.00 C ATOM 1322 C PRO A 86 -9.920 -14.406 12.365 1.00 0.00 C ATOM 1323 O PRO A 86 -10.287 -14.866 13.448 1.00 0.00 O ATOM 1324 CB PRO A 86 -11.835 -14.581 10.716 1.00 0.00 C ATOM 1325 CG PRO A 86 -11.166 -14.759 9.354 1.00 0.00 C ATOM 1326 CD PRO A 86 -10.460 -13.426 9.126 1.00 0.00 C ATOM 0 HA PRO A 86 -11.453 -12.983 12.156 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -11.940 -15.534 11.235 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -12.836 -14.161 10.616 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -10.461 -15.591 9.359 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -11.897 -14.965 8.572 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -9.522 -13.571 8.590 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -11.074 -12.761 8.519 1.00 0.00 H new ATOM 1334 N LEU A 87 -8.676 -14.557 11.905 1.00 0.00 N ATOM 1335 CA LEU A 87 -7.625 -15.334 12.542 1.00 0.00 C ATOM 1336 C LEU A 87 -6.627 -14.371 13.199 1.00 0.00 C ATOM 1337 O LEU A 87 -6.162 -13.454 12.517 1.00 0.00 O ATOM 1338 CB LEU A 87 -6.909 -16.167 11.465 1.00 0.00 C ATOM 1339 CG LEU A 87 -7.794 -17.221 10.776 1.00 0.00 C ATOM 1340 CD1 LEU A 87 -6.998 -17.892 9.654 1.00 0.00 C ATOM 1341 CD2 LEU A 87 -8.297 -18.293 11.752 1.00 0.00 C ATOM 0 H LEU A 87 -8.366 -14.118 11.038 1.00 0.00 H new ATOM 0 HA LEU A 87 -8.044 -15.996 13.300 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -6.513 -15.492 10.706 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -6.056 -16.670 11.921 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.668 -16.706 10.377 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.621 -18.640 9.163 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.691 -17.141 8.926 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.115 -18.374 10.073 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -8.916 -19.012 11.215 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -7.446 -18.808 12.197 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -8.887 -17.821 12.538 1.00 0.00 H new ATOM 1353 N PRO A 88 -6.290 -14.545 14.491 1.00 0.00 N ATOM 1354 CA PRO A 88 -5.185 -13.836 15.131 1.00 0.00 C ATOM 1355 C PRO A 88 -3.863 -14.051 14.387 1.00 0.00 C ATOM 1356 O PRO A 88 -3.662 -15.095 13.757 1.00 0.00 O ATOM 1357 CB PRO A 88 -5.100 -14.398 16.554 1.00 0.00 C ATOM 1358 CG PRO A 88 -6.507 -14.920 16.828 1.00 0.00 C ATOM 1359 CD PRO A 88 -6.974 -15.394 15.454 1.00 0.00 C ATOM 0 HA PRO A 88 -5.360 -12.760 15.126 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -4.358 -15.193 16.626 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -4.813 -13.629 17.271 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -6.501 -15.733 17.554 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -7.156 -14.140 17.227 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -6.725 -16.444 15.297 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -8.056 -15.304 15.356 1.00 0.00 H new ATOM 1367 N CYS A 89 -2.926 -13.109 14.526 1.00 0.00 N ATOM 1368 CA CYS A 89 -1.597 -13.198 13.924 1.00 0.00 C ATOM 1369 C CYS A 89 -0.884 -14.498 14.306 1.00 0.00 C ATOM 1370 O CYS A 89 -0.280 -15.134 13.446 1.00 0.00 O ATOM 1371 CB CYS A 89 -0.763 -11.959 14.289 1.00 0.00 C ATOM 1372 SG CYS A 89 -0.812 -11.607 16.076 1.00 0.00 S ATOM 0 H CYS A 89 -3.072 -12.256 15.065 1.00 0.00 H new ATOM 0 HA CYS A 89 -1.716 -13.219 12.841 1.00 0.00 H new ATOM 0 HB2 CYS A 89 0.270 -12.113 13.978 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -1.137 -11.095 13.739 1.00 0.00 H new ATOM 0 HG CYS A 89 -0.092 -10.555 16.331 1.00 0.00 H new ATOM 1378 N SER A 90 -1.003 -14.931 15.562 1.00 0.00 N ATOM 1379 CA SER A 90 -0.447 -16.190 16.036 1.00 0.00 C ATOM 1380 C SER A 90 -0.972 -17.356 15.202 1.00 0.00 C ATOM 1381 O SER A 90 -0.193 -18.112 14.627 1.00 0.00 O ATOM 1382 CB SER A 90 -0.785 -16.341 17.526 1.00 0.00 C ATOM 1383 OG SER A 90 -2.132 -15.959 17.779 1.00 0.00 O ATOM 0 H SER A 90 -1.496 -14.407 16.285 1.00 0.00 H new ATOM 0 HA SER A 90 0.637 -16.193 15.923 1.00 0.00 H new ATOM 0 HB2 SER A 90 -0.631 -17.375 17.836 1.00 0.00 H new ATOM 0 HB3 SER A 90 -0.110 -15.726 18.121 1.00 0.00 H new ATOM 0 HG SER A 90 -2.328 -16.064 18.733 1.00 0.00 H new ATOM 1389 N LYS A 91 -2.293 -17.474 15.078 1.00 0.00 N ATOM 1390 CA LYS A 91 -2.935 -18.558 14.341 1.00 0.00 C ATOM 1391 C LYS A 91 -2.563 -18.524 12.859 1.00 0.00 C ATOM 1392 O LYS A 91 -2.359 -19.584 12.274 1.00 0.00 O ATOM 1393 CB LYS A 91 -4.459 -18.534 14.526 1.00 0.00 C ATOM 1394 CG LYS A 91 -4.940 -18.566 15.989 1.00 0.00 C ATOM 1395 CD LYS A 91 -4.438 -19.782 16.783 1.00 0.00 C ATOM 1396 CE LYS A 91 -5.065 -19.782 18.185 1.00 0.00 C ATOM 1397 NZ LYS A 91 -4.629 -20.944 18.999 1.00 0.00 N ATOM 0 H LYS A 91 -2.952 -16.814 15.490 1.00 0.00 H new ATOM 0 HA LYS A 91 -2.563 -19.496 14.754 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -4.853 -17.636 14.050 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.887 -19.388 14.000 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -4.610 -17.656 16.490 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -6.030 -18.560 16.003 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -4.696 -20.702 16.259 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -3.351 -19.754 16.861 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -4.797 -18.860 18.700 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -6.151 -19.792 18.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -5.078 -20.900 19.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -4.907 -21.826 18.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -3.595 -20.922 19.110 1.00 0.00 H new ATOM 1411 N ILE A 92 -2.426 -17.340 12.255 1.00 0.00 N ATOM 1412 CA ILE A 92 -1.980 -17.208 10.868 1.00 0.00 C ATOM 1413 C ILE A 92 -0.602 -17.869 10.725 1.00 0.00 C ATOM 1414 O ILE A 92 -0.417 -18.722 9.856 1.00 0.00 O ATOM 1415 CB ILE A 92 -1.983 -15.718 10.446 1.00 0.00 C ATOM 1416 CG1 ILE A 92 -3.431 -15.178 10.394 1.00 0.00 C ATOM 1417 CG2 ILE A 92 -1.281 -15.519 9.088 1.00 0.00 C ATOM 1418 CD1 ILE A 92 -3.527 -13.649 10.376 1.00 0.00 C ATOM 0 H ILE A 92 -2.621 -16.450 12.713 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.665 -17.720 10.192 1.00 0.00 H new ATOM 0 HB ILE A 92 -1.425 -15.154 11.194 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -3.923 -15.573 9.505 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.980 -15.556 11.257 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -1.300 -14.463 8.820 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -0.247 -15.857 9.160 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -1.799 -16.097 8.323 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -4.575 -13.351 10.339 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -3.066 -13.245 11.277 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -3.009 -13.262 9.499 1.00 0.00 H new ATOM 1430 N ILE A 93 0.352 -17.509 11.589 1.00 0.00 N ATOM 1431 CA ILE A 93 1.714 -18.036 11.551 1.00 0.00 C ATOM 1432 C ILE A 93 1.675 -19.545 11.793 1.00 0.00 C ATOM 1433 O ILE A 93 2.328 -20.296 11.071 1.00 0.00 O ATOM 1434 CB ILE A 93 2.578 -17.308 12.607 1.00 0.00 C ATOM 1435 CG1 ILE A 93 2.667 -15.803 12.292 1.00 0.00 C ATOM 1436 CG2 ILE A 93 3.992 -17.900 12.687 1.00 0.00 C ATOM 1437 CD1 ILE A 93 3.168 -14.979 13.483 1.00 0.00 C ATOM 0 H ILE A 93 0.196 -16.837 12.340 1.00 0.00 H new ATOM 0 HA ILE A 93 2.164 -17.861 10.574 1.00 0.00 H new ATOM 0 HB ILE A 93 2.092 -17.448 13.573 1.00 0.00 H new ATOM 0 HG12 ILE A 93 3.335 -15.652 11.444 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.684 -15.440 11.992 1.00 0.00 H new ATOM 0 HG21 ILE A 93 4.569 -17.363 13.439 1.00 0.00 H new ATOM 0 HG22 ILE A 93 3.931 -18.953 12.961 1.00 0.00 H new ATOM 0 HG23 ILE A 93 4.482 -17.805 11.718 1.00 0.00 H new ATOM 0 HD11 ILE A 93 3.211 -13.926 13.205 1.00 0.00 H new ATOM 0 HD12 ILE A 93 2.487 -15.104 14.324 1.00 0.00 H new ATOM 0 HD13 ILE A 93 4.163 -15.320 13.768 1.00 0.00 H new ATOM 1449 N GLN A 94 0.889 -19.978 12.781 1.00 0.00 N ATOM 1450 CA GLN A 94 0.746 -21.378 13.160 1.00 0.00 C ATOM 1451 C GLN A 94 0.311 -22.204 11.954 1.00 0.00 C ATOM 1452 O GLN A 94 0.922 -23.232 11.664 1.00 0.00 O ATOM 1453 CB GLN A 94 -0.283 -21.533 14.293 1.00 0.00 C ATOM 1454 CG GLN A 94 0.252 -21.207 15.694 1.00 0.00 C ATOM 1455 CD GLN A 94 1.328 -22.190 16.163 1.00 0.00 C ATOM 1456 OE1 GLN A 94 2.452 -21.806 16.476 1.00 0.00 O ATOM 1457 NE2 GLN A 94 1.025 -23.479 16.211 1.00 0.00 N ATOM 0 H GLN A 94 0.323 -19.348 13.350 1.00 0.00 H new ATOM 0 HA GLN A 94 1.712 -21.737 13.515 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -1.134 -20.885 14.084 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -0.655 -22.558 14.290 1.00 0.00 H new ATOM 0 HG2 GLN A 94 0.664 -20.198 15.695 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -0.575 -21.215 16.404 1.00 0.00 H new ATOM 0 HE21 GLN A 94 0.090 -23.793 15.950 1.00 0.00 H new ATOM 0 HE22 GLN A 94 1.726 -24.157 16.509 1.00 0.00 H new ATOM 1466 N ARG A 95 -0.724 -21.756 11.235 1.00 0.00 N ATOM 1467 CA ARG A 95 -1.176 -22.473 10.047 1.00 0.00 C ATOM 1468 C ARG A 95 -0.092 -22.435 8.981 1.00 0.00 C ATOM 1469 O ARG A 95 0.214 -23.478 8.410 1.00 0.00 O ATOM 1470 CB ARG A 95 -2.497 -21.901 9.505 1.00 0.00 C ATOM 1471 CG ARG A 95 -3.723 -22.153 10.400 1.00 0.00 C ATOM 1472 CD ARG A 95 -3.975 -23.643 10.667 1.00 0.00 C ATOM 1473 NE ARG A 95 -5.261 -23.868 11.347 1.00 0.00 N ATOM 1474 CZ ARG A 95 -5.707 -25.050 11.793 1.00 0.00 C ATOM 1475 NH1 ARG A 95 -4.969 -26.150 11.669 1.00 0.00 N ATOM 1476 NH2 ARG A 95 -6.904 -25.126 12.367 1.00 0.00 N ATOM 0 H ARG A 95 -1.255 -20.913 11.454 1.00 0.00 H new ATOM 0 HA ARG A 95 -1.367 -23.509 10.326 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -2.381 -20.826 9.365 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -2.687 -22.332 8.522 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -3.584 -21.638 11.350 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -4.605 -21.720 9.929 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -3.963 -24.188 9.723 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -3.166 -24.044 11.277 1.00 0.00 H new ATOM 0 HE ARG A 95 -5.862 -23.057 11.491 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -4.050 -26.101 11.229 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -5.322 -27.043 12.014 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -7.477 -24.288 12.466 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -7.250 -26.023 12.709 1.00 0.00 H new ATOM 1490 N ALA A 96 0.519 -21.273 8.730 1.00 0.00 N ATOM 1491 CA ALA A 96 1.546 -21.146 7.711 1.00 0.00 C ATOM 1492 C ALA A 96 2.645 -22.187 7.916 1.00 0.00 C ATOM 1493 O ALA A 96 2.949 -22.947 6.998 1.00 0.00 O ATOM 1494 CB ALA A 96 2.108 -19.718 7.697 1.00 0.00 C ATOM 0 H ALA A 96 0.313 -20.406 9.226 1.00 0.00 H new ATOM 0 HA ALA A 96 1.099 -21.337 6.735 1.00 0.00 H new ATOM 0 HB1 ALA A 96 2.877 -19.637 6.929 1.00 0.00 H new ATOM 0 HB2 ALA A 96 1.305 -19.013 7.482 1.00 0.00 H new ATOM 0 HB3 ALA A 96 2.542 -19.488 8.670 1.00 0.00 H new ATOM 1500 N GLU A 97 3.204 -22.267 9.123 1.00 0.00 N ATOM 1501 CA GLU A 97 4.316 -23.170 9.402 1.00 0.00 C ATOM 1502 C GLU A 97 3.887 -24.643 9.463 1.00 0.00 C ATOM 1503 O GLU A 97 4.719 -25.521 9.237 1.00 0.00 O ATOM 1504 CB GLU A 97 5.086 -22.739 10.664 1.00 0.00 C ATOM 1505 CG GLU A 97 4.350 -22.977 11.992 1.00 0.00 C ATOM 1506 CD GLU A 97 5.251 -22.654 13.197 1.00 0.00 C ATOM 1507 OE1 GLU A 97 5.375 -21.470 13.581 1.00 0.00 O ATOM 1508 OE2 GLU A 97 5.844 -23.591 13.779 1.00 0.00 O ATOM 0 H GLU A 97 2.902 -21.714 9.925 1.00 0.00 H new ATOM 0 HA GLU A 97 5.001 -23.093 8.557 1.00 0.00 H new ATOM 0 HB2 GLU A 97 6.035 -23.274 10.692 1.00 0.00 H new ATOM 0 HB3 GLU A 97 5.321 -21.678 10.582 1.00 0.00 H new ATOM 0 HG2 GLU A 97 3.454 -22.358 12.029 1.00 0.00 H new ATOM 0 HG3 GLU A 97 4.023 -24.015 12.048 1.00 0.00 H new ATOM 1515 N GLU A 98 2.612 -24.941 9.735 1.00 0.00 N ATOM 1516 CA GLU A 98 2.092 -26.289 9.799 1.00 0.00 C ATOM 1517 C GLU A 98 1.998 -26.870 8.382 1.00 0.00 C ATOM 1518 O GLU A 98 2.102 -28.084 8.196 1.00 0.00 O ATOM 1519 CB GLU A 98 0.732 -26.199 10.518 1.00 0.00 C ATOM 1520 CG GLU A 98 -0.207 -27.368 10.252 1.00 0.00 C ATOM 1521 CD GLU A 98 -1.492 -27.262 11.090 1.00 0.00 C ATOM 1522 OE1 GLU A 98 -2.408 -26.498 10.710 1.00 0.00 O ATOM 1523 OE2 GLU A 98 -1.604 -27.958 12.127 1.00 0.00 O ATOM 0 H GLU A 98 1.906 -24.228 9.919 1.00 0.00 H new ATOM 0 HA GLU A 98 2.740 -26.967 10.355 1.00 0.00 H new ATOM 0 HB2 GLU A 98 0.908 -26.129 11.591 1.00 0.00 H new ATOM 0 HB3 GLU A 98 0.237 -25.277 10.215 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -0.464 -27.396 9.193 1.00 0.00 H new ATOM 0 HG3 GLU A 98 0.302 -28.304 10.482 1.00 0.00 H new ATOM 1530 N LEU A 99 1.829 -26.003 7.380 1.00 0.00 N ATOM 1531 CA LEU A 99 1.482 -26.396 6.021 1.00 0.00 C ATOM 1532 C LEU A 99 2.689 -26.432 5.081 1.00 0.00 C ATOM 1533 O LEU A 99 2.534 -26.864 3.939 1.00 0.00 O ATOM 1534 CB LEU A 99 0.360 -25.465 5.521 1.00 0.00 C ATOM 1535 CG LEU A 99 -0.940 -25.601 6.351 1.00 0.00 C ATOM 1536 CD1 LEU A 99 -1.911 -24.472 6.000 1.00 0.00 C ATOM 1537 CD2 LEU A 99 -1.655 -26.942 6.130 1.00 0.00 C ATOM 0 H LEU A 99 1.932 -24.995 7.497 1.00 0.00 H new ATOM 0 HA LEU A 99 1.120 -27.424 6.028 1.00 0.00 H new ATOM 0 HB2 LEU A 99 0.705 -24.432 5.560 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.145 -25.690 4.476 1.00 0.00 H new ATOM 0 HG LEU A 99 -0.640 -25.546 7.397 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.821 -24.578 6.590 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -1.446 -23.511 6.220 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -2.158 -24.521 4.940 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -2.559 -26.977 6.739 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -1.922 -27.043 5.078 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.993 -27.759 6.416 1.00 0.00 H new ATOM 1549 N VAL A 100 3.878 -26.029 5.534 1.00 0.00 N ATOM 1550 CA VAL A 100 5.138 -26.213 4.816 1.00 0.00 C ATOM 1551 C VAL A 100 5.420 -27.708 4.636 1.00 0.00 C ATOM 1552 O VAL A 100 5.045 -28.534 5.475 1.00 0.00 O ATOM 1553 CB VAL A 100 6.262 -25.493 5.605 1.00 0.00 C ATOM 1554 CG1 VAL A 100 7.678 -25.730 5.058 1.00 0.00 C ATOM 1555 CG2 VAL A 100 6.037 -23.976 5.619 1.00 0.00 C ATOM 0 H VAL A 100 3.993 -25.555 6.430 1.00 0.00 H new ATOM 0 HA VAL A 100 5.085 -25.777 3.818 1.00 0.00 H new ATOM 0 HB VAL A 100 6.204 -25.925 6.604 1.00 0.00 H new ATOM 0 HG11 VAL A 100 8.400 -25.189 5.670 1.00 0.00 H new ATOM 0 HG12 VAL A 100 7.905 -26.796 5.086 1.00 0.00 H new ATOM 0 HG13 VAL A 100 7.735 -25.373 4.030 1.00 0.00 H new ATOM 0 HG21 VAL A 100 6.839 -23.494 6.179 1.00 0.00 H new ATOM 0 HG22 VAL A 100 6.031 -23.600 4.596 1.00 0.00 H new ATOM 0 HG23 VAL A 100 5.080 -23.754 6.092 1.00 0.00 H new ATOM 1565 N GLY A 101 6.132 -28.048 3.557 1.00 0.00 N ATOM 1566 CA GLY A 101 6.668 -29.386 3.351 1.00 0.00 C ATOM 1567 C GLY A 101 5.633 -30.345 2.769 1.00 0.00 C ATOM 1568 O GLY A 101 5.774 -31.559 2.935 1.00 0.00 O ATOM 0 H GLY A 101 6.350 -27.397 2.803 1.00 0.00 H new ATOM 0 HA2 GLY A 101 7.526 -29.331 2.681 1.00 0.00 H new ATOM 0 HA3 GLY A 101 7.030 -29.779 4.301 1.00 0.00 H new ATOM 1572 N GLN A 102 4.608 -29.823 2.090 1.00 0.00 N ATOM 1573 CA GLN A 102 3.639 -30.593 1.340 1.00 0.00 C ATOM 1574 C GLN A 102 3.584 -30.028 -0.074 1.00 0.00 C ATOM 1575 O GLN A 102 3.973 -28.884 -0.326 1.00 0.00 O ATOM 1576 CB GLN A 102 2.278 -30.548 2.053 1.00 0.00 C ATOM 1577 CG GLN A 102 1.424 -29.312 1.722 1.00 0.00 C ATOM 1578 CD GLN A 102 0.163 -29.262 2.579 1.00 0.00 C ATOM 1579 OE1 GLN A 102 -0.775 -30.036 2.402 1.00 0.00 O ATOM 1580 NE2 GLN A 102 0.116 -28.351 3.532 1.00 0.00 N ATOM 0 H GLN A 102 4.433 -28.819 2.052 1.00 0.00 H new ATOM 0 HA GLN A 102 3.923 -31.644 1.279 1.00 0.00 H new ATOM 0 HB2 GLN A 102 1.715 -31.444 1.790 1.00 0.00 H new ATOM 0 HB3 GLN A 102 2.445 -30.581 3.130 1.00 0.00 H new ATOM 0 HG2 GLN A 102 2.011 -28.408 1.883 1.00 0.00 H new ATOM 0 HG3 GLN A 102 1.149 -29.330 0.667 1.00 0.00 H new ATOM 0 HE21 GLN A 102 0.901 -27.715 3.668 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -0.706 -28.283 4.132 1.00 0.00 H new ATOM 1589 N GLU A 103 3.042 -30.829 -0.979 1.00 0.00 N ATOM 1590 CA GLU A 103 2.795 -30.473 -2.357 1.00 0.00 C ATOM 1591 C GLU A 103 1.323 -30.102 -2.539 1.00 0.00 C ATOM 1592 O GLU A 103 0.452 -30.528 -1.775 1.00 0.00 O ATOM 1593 CB GLU A 103 3.236 -31.635 -3.262 1.00 0.00 C ATOM 1594 CG GLU A 103 2.642 -32.989 -2.848 1.00 0.00 C ATOM 1595 CD GLU A 103 3.120 -34.124 -3.772 1.00 0.00 C ATOM 1596 OE1 GLU A 103 2.759 -34.135 -4.970 1.00 0.00 O ATOM 1597 OE2 GLU A 103 3.851 -35.026 -3.300 1.00 0.00 O ATOM 0 H GLU A 103 2.753 -31.782 -0.759 1.00 0.00 H new ATOM 0 HA GLU A 103 3.378 -29.597 -2.641 1.00 0.00 H new ATOM 0 HB2 GLU A 103 2.944 -31.417 -4.289 1.00 0.00 H new ATOM 0 HB3 GLU A 103 4.324 -31.704 -3.248 1.00 0.00 H new ATOM 0 HG2 GLU A 103 2.926 -33.212 -1.820 1.00 0.00 H new ATOM 0 HG3 GLU A 103 1.554 -32.933 -2.873 1.00 0.00 H new ATOM 1604 N VAL A 104 1.054 -29.322 -3.578 1.00 0.00 N ATOM 1605 CA VAL A 104 -0.250 -28.877 -4.012 1.00 0.00 C ATOM 1606 C VAL A 104 -0.333 -29.160 -5.511 1.00 0.00 C ATOM 1607 O VAL A 104 0.678 -29.122 -6.211 1.00 0.00 O ATOM 1608 CB VAL A 104 -0.424 -27.383 -3.685 1.00 0.00 C ATOM 1609 CG1 VAL A 104 -0.629 -27.158 -2.179 1.00 0.00 C ATOM 1610 CG2 VAL A 104 0.724 -26.483 -4.170 1.00 0.00 C ATOM 0 H VAL A 104 1.798 -28.963 -4.176 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.056 -29.400 -3.498 1.00 0.00 H new ATOM 0 HB VAL A 104 -1.315 -27.090 -4.240 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -0.748 -26.092 -1.983 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -1.522 -27.690 -1.850 1.00 0.00 H new ATOM 0 HG13 VAL A 104 0.238 -27.532 -1.634 1.00 0.00 H new ATOM 0 HG21 VAL A 104 0.516 -25.449 -3.896 1.00 0.00 H new ATOM 0 HG22 VAL A 104 1.657 -26.801 -3.705 1.00 0.00 H new ATOM 0 HG23 VAL A 104 0.814 -26.560 -5.254 1.00 0.00 H new ATOM 1620 N LEU A 105 -1.526 -29.448 -6.024 1.00 0.00 N ATOM 1621 CA LEU A 105 -1.698 -29.959 -7.389 1.00 0.00 C ATOM 1622 C LEU A 105 -2.036 -28.845 -8.387 1.00 0.00 C ATOM 1623 O LEU A 105 -2.568 -29.104 -9.468 1.00 0.00 O ATOM 1624 CB LEU A 105 -2.780 -31.047 -7.385 1.00 0.00 C ATOM 1625 CG LEU A 105 -2.474 -32.282 -6.513 1.00 0.00 C ATOM 1626 CD1 LEU A 105 -3.624 -33.287 -6.625 1.00 0.00 C ATOM 1627 CD2 LEU A 105 -1.158 -32.969 -6.902 1.00 0.00 C ATOM 0 H LEU A 105 -2.400 -29.336 -5.511 1.00 0.00 H new ATOM 0 HA LEU A 105 -0.751 -30.387 -7.719 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.715 -30.604 -7.042 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -2.941 -31.379 -8.411 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.368 -31.933 -5.486 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -3.406 -34.159 -6.008 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -4.548 -32.822 -6.282 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -3.737 -33.596 -7.664 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -0.993 -33.831 -6.256 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -1.212 -33.298 -7.940 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -0.333 -32.266 -6.787 1.00 0.00 H new ATOM 1639 N TYR A 106 -1.733 -27.607 -8.015 1.00 0.00 N ATOM 1640 CA TYR A 106 -1.809 -26.429 -8.869 1.00 0.00 C ATOM 1641 C TYR A 106 -0.428 -25.773 -8.945 1.00 0.00 C ATOM 1642 O TYR A 106 0.411 -25.946 -8.058 1.00 0.00 O ATOM 1643 CB TYR A 106 -2.882 -25.461 -8.351 1.00 0.00 C ATOM 1644 CG TYR A 106 -2.665 -24.956 -6.933 1.00 0.00 C ATOM 1645 CD1 TYR A 106 -1.694 -23.968 -6.672 1.00 0.00 C ATOM 1646 CD2 TYR A 106 -3.430 -25.483 -5.875 1.00 0.00 C ATOM 1647 CE1 TYR A 106 -1.482 -23.515 -5.359 1.00 0.00 C ATOM 1648 CE2 TYR A 106 -3.231 -25.025 -4.560 1.00 0.00 C ATOM 1649 CZ TYR A 106 -2.252 -24.041 -4.295 1.00 0.00 C ATOM 1650 OH TYR A 106 -2.040 -23.597 -3.025 1.00 0.00 O ATOM 0 H TYR A 106 -1.415 -27.388 -7.071 1.00 0.00 H new ATOM 0 HA TYR A 106 -2.104 -26.718 -9.878 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -2.930 -24.603 -9.022 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -3.851 -25.958 -8.399 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -1.111 -23.558 -7.484 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -4.172 -26.242 -6.074 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -0.731 -22.765 -5.162 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -3.826 -25.425 -3.753 1.00 0.00 H new ATOM 0 HH TYR A 106 -2.651 -24.057 -2.412 1.00 0.00 H new ATOM 1660 N LYS A 107 -0.197 -25.025 -10.023 1.00 0.00 N ATOM 1661 CA LYS A 107 1.097 -24.484 -10.382 1.00 0.00 C ATOM 1662 C LYS A 107 1.356 -23.123 -9.751 1.00 0.00 C ATOM 1663 O LYS A 107 0.438 -22.470 -9.254 1.00 0.00 O ATOM 1664 CB LYS A 107 1.106 -24.342 -11.915 1.00 0.00 C ATOM 1665 CG LYS A 107 2.476 -24.749 -12.448 1.00 0.00 C ATOM 1666 CD LYS A 107 2.623 -24.612 -13.973 1.00 0.00 C ATOM 1667 CE LYS A 107 3.273 -23.298 -14.449 1.00 0.00 C ATOM 1668 NZ LYS A 107 2.444 -22.082 -14.240 1.00 0.00 N ATOM 0 H LYS A 107 -0.932 -24.776 -10.685 1.00 0.00 H new ATOM 0 HA LYS A 107 1.879 -25.151 -10.019 1.00 0.00 H new ATOM 0 HB2 LYS A 107 0.330 -24.969 -12.355 1.00 0.00 H new ATOM 0 HB3 LYS A 107 0.883 -23.313 -12.198 1.00 0.00 H new ATOM 0 HG2 LYS A 107 3.238 -24.138 -11.964 1.00 0.00 H new ATOM 0 HG3 LYS A 107 2.671 -25.784 -12.167 1.00 0.00 H new ATOM 0 HD2 LYS A 107 3.217 -25.448 -14.342 1.00 0.00 H new ATOM 0 HD3 LYS A 107 1.636 -24.697 -14.427 1.00 0.00 H new ATOM 0 HE2 LYS A 107 4.221 -23.168 -13.928 1.00 0.00 H new ATOM 0 HE3 LYS A 107 3.503 -23.386 -15.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 2.686 -21.369 -14.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 1.437 -22.330 -14.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 2.628 -21.695 -13.292 1.00 0.00 H new ATOM 1682 N LEU A 108 2.601 -22.660 -9.865 1.00 0.00 N ATOM 1683 CA LEU A 108 2.956 -21.281 -9.574 1.00 0.00 C ATOM 1684 C LEU A 108 2.245 -20.412 -10.604 1.00 0.00 C ATOM 1685 O LEU A 108 2.460 -20.579 -11.807 1.00 0.00 O ATOM 1686 CB LEU A 108 4.477 -21.034 -9.706 1.00 0.00 C ATOM 1687 CG LEU A 108 5.354 -21.366 -8.487 1.00 0.00 C ATOM 1688 CD1 LEU A 108 5.047 -20.465 -7.288 1.00 0.00 C ATOM 1689 CD2 LEU A 108 5.219 -22.832 -8.083 1.00 0.00 C ATOM 0 H LEU A 108 3.389 -23.235 -10.162 1.00 0.00 H new ATOM 0 HA LEU A 108 2.666 -21.048 -8.550 1.00 0.00 H new ATOM 0 HB2 LEU A 108 4.841 -21.617 -10.552 1.00 0.00 H new ATOM 0 HB3 LEU A 108 4.628 -19.983 -9.954 1.00 0.00 H new ATOM 0 HG LEU A 108 6.383 -21.179 -8.793 1.00 0.00 H new ATOM 0 HD11 LEU A 108 5.692 -20.739 -6.453 1.00 0.00 H new ATOM 0 HD12 LEU A 108 5.226 -19.425 -7.559 1.00 0.00 H new ATOM 0 HD13 LEU A 108 4.004 -20.589 -6.997 1.00 0.00 H new ATOM 0 HD21 LEU A 108 5.852 -23.031 -7.219 1.00 0.00 H new ATOM 0 HD22 LEU A 108 4.181 -23.045 -7.829 1.00 0.00 H new ATOM 0 HD23 LEU A 108 5.527 -23.468 -8.913 1.00 0.00 H new ATOM 1701 N THR A 109 1.419 -19.497 -10.120 1.00 0.00 N ATOM 1702 CA THR A 109 0.849 -18.374 -10.846 1.00 0.00 C ATOM 1703 C THR A 109 0.726 -17.266 -9.795 1.00 0.00 C ATOM 1704 O THR A 109 0.563 -17.564 -8.605 1.00 0.00 O ATOM 1705 CB THR A 109 -0.520 -18.691 -11.488 1.00 0.00 C ATOM 1706 OG1 THR A 109 -1.478 -19.043 -10.513 1.00 0.00 O ATOM 1707 CG2 THR A 109 -0.469 -19.815 -12.527 1.00 0.00 C ATOM 0 H THR A 109 1.110 -19.521 -9.148 1.00 0.00 H new ATOM 0 HA THR A 109 1.479 -18.095 -11.691 1.00 0.00 H new ATOM 0 HB THR A 109 -0.805 -17.769 -11.995 1.00 0.00 H new ATOM 0 HG1 THR A 109 -2.334 -19.236 -10.950 1.00 0.00 H new ATOM 0 HG21 THR A 109 -1.467 -19.980 -12.933 1.00 0.00 H new ATOM 0 HG22 THR A 109 0.209 -19.535 -13.333 1.00 0.00 H new ATOM 0 HG23 THR A 109 -0.113 -20.731 -12.055 1.00 0.00 H new ATOM 1715 N SER A 110 0.767 -15.999 -10.210 1.00 0.00 N ATOM 1716 CA SER A 110 0.538 -14.882 -9.303 1.00 0.00 C ATOM 1717 C SER A 110 -0.791 -15.056 -8.559 1.00 0.00 C ATOM 1718 O SER A 110 -0.852 -14.830 -7.350 1.00 0.00 O ATOM 1719 CB SER A 110 0.552 -13.582 -10.112 1.00 0.00 C ATOM 1720 OG SER A 110 1.793 -13.421 -10.773 1.00 0.00 O ATOM 0 H SER A 110 0.958 -15.724 -11.173 1.00 0.00 H new ATOM 0 HA SER A 110 1.328 -14.847 -8.553 1.00 0.00 H new ATOM 0 HB2 SER A 110 -0.257 -13.593 -10.843 1.00 0.00 H new ATOM 0 HB3 SER A 110 0.373 -12.734 -9.451 1.00 0.00 H new ATOM 0 HG SER A 110 2.500 -13.277 -10.110 1.00 0.00 H new ATOM 1726 N GLU A 111 -1.833 -15.516 -9.263 1.00 0.00 N ATOM 1727 CA GLU A 111 -3.156 -15.719 -8.694 1.00 0.00 C ATOM 1728 C GLU A 111 -3.137 -16.831 -7.640 1.00 0.00 C ATOM 1729 O GLU A 111 -3.706 -16.646 -6.565 1.00 0.00 O ATOM 1730 CB GLU A 111 -4.142 -16.029 -9.832 1.00 0.00 C ATOM 1731 CG GLU A 111 -5.589 -16.127 -9.336 1.00 0.00 C ATOM 1732 CD GLU A 111 -6.575 -16.316 -10.503 1.00 0.00 C ATOM 1733 OE1 GLU A 111 -6.856 -17.472 -10.891 1.00 0.00 O ATOM 1734 OE2 GLU A 111 -7.096 -15.310 -11.037 1.00 0.00 O ATOM 0 H GLU A 111 -1.773 -15.758 -10.252 1.00 0.00 H new ATOM 0 HA GLU A 111 -3.479 -14.812 -8.183 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -4.073 -15.251 -10.592 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -3.859 -16.967 -10.309 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -5.681 -16.963 -8.642 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -5.847 -15.224 -8.783 1.00 0.00 H new ATOM 1741 N ASN A 112 -2.480 -17.966 -7.908 1.00 0.00 N ATOM 1742 CA ASN A 112 -2.481 -19.089 -6.970 1.00 0.00 C ATOM 1743 C ASN A 112 -1.710 -18.731 -5.708 1.00 0.00 C ATOM 1744 O ASN A 112 -2.145 -19.104 -4.619 1.00 0.00 O ATOM 1745 CB ASN A 112 -1.885 -20.363 -7.590 1.00 0.00 C ATOM 1746 CG ASN A 112 -2.849 -21.097 -8.522 1.00 0.00 C ATOM 1747 OD1 ASN A 112 -4.068 -20.983 -8.417 1.00 0.00 O ATOM 1748 ND2 ASN A 112 -2.327 -21.880 -9.450 1.00 0.00 N ATOM 0 H ASN A 112 -1.945 -18.128 -8.761 1.00 0.00 H new ATOM 0 HA ASN A 112 -3.522 -19.291 -6.720 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -0.985 -20.100 -8.145 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -1.580 -21.038 -6.790 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -2.937 -22.395 -10.085 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -1.314 -21.970 -9.531 1.00 0.00 H new ATOM 1755 N CYS A 113 -0.596 -18.002 -5.823 1.00 0.00 N ATOM 1756 CA CYS A 113 0.147 -17.571 -4.649 1.00 0.00 C ATOM 1757 C CYS A 113 -0.682 -16.573 -3.842 1.00 0.00 C ATOM 1758 O CYS A 113 -0.763 -16.712 -2.623 1.00 0.00 O ATOM 1759 CB CYS A 113 1.496 -16.971 -5.048 1.00 0.00 C ATOM 1760 SG CYS A 113 2.427 -18.196 -6.012 1.00 0.00 S ATOM 0 H CYS A 113 -0.196 -17.703 -6.712 1.00 0.00 H new ATOM 0 HA CYS A 113 0.346 -18.441 -4.023 1.00 0.00 H new ATOM 0 HB2 CYS A 113 1.346 -16.065 -5.635 1.00 0.00 H new ATOM 0 HB3 CYS A 113 2.058 -16.685 -4.159 1.00 0.00 H new ATOM 0 HG CYS A 113 1.948 -18.254 -7.219 1.00 0.00 H new ATOM 1766 N GLU A 114 -1.320 -15.601 -4.508 1.00 0.00 N ATOM 1767 CA GLU A 114 -2.141 -14.589 -3.849 1.00 0.00 C ATOM 1768 C GLU A 114 -3.289 -15.261 -3.094 1.00 0.00 C ATOM 1769 O GLU A 114 -3.534 -14.957 -1.925 1.00 0.00 O ATOM 1770 CB GLU A 114 -2.660 -13.581 -4.891 1.00 0.00 C ATOM 1771 CG GLU A 114 -3.201 -12.297 -4.238 1.00 0.00 C ATOM 1772 CD GLU A 114 -3.347 -11.117 -5.222 1.00 0.00 C ATOM 1773 OE1 GLU A 114 -2.464 -10.896 -6.088 1.00 0.00 O ATOM 1774 OE2 GLU A 114 -4.349 -10.375 -5.097 1.00 0.00 O ATOM 0 H GLU A 114 -1.278 -15.498 -5.522 1.00 0.00 H new ATOM 0 HA GLU A 114 -1.540 -14.042 -3.123 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -1.854 -13.325 -5.579 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -3.449 -14.046 -5.482 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -4.172 -12.508 -3.791 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -2.534 -12.003 -3.428 1.00 0.00 H new ATOM 1781 N HIS A 115 -3.950 -16.221 -3.747 1.00 0.00 N ATOM 1782 CA HIS A 115 -5.010 -17.024 -3.165 1.00 0.00 C ATOM 1783 C HIS A 115 -4.484 -17.747 -1.929 1.00 0.00 C ATOM 1784 O HIS A 115 -5.043 -17.590 -0.846 1.00 0.00 O ATOM 1785 CB HIS A 115 -5.546 -18.002 -4.227 1.00 0.00 C ATOM 1786 CG HIS A 115 -6.603 -18.944 -3.705 1.00 0.00 C ATOM 1787 ND1 HIS A 115 -7.983 -18.778 -3.850 1.00 0.00 N ATOM 1788 CD2 HIS A 115 -6.363 -20.079 -2.986 1.00 0.00 C ATOM 1789 CE1 HIS A 115 -8.542 -19.803 -3.182 1.00 0.00 C ATOM 1790 NE2 HIS A 115 -7.593 -20.593 -2.650 1.00 0.00 N ATOM 0 H HIS A 115 -3.752 -16.461 -4.718 1.00 0.00 H new ATOM 0 HA HIS A 115 -5.838 -16.391 -2.846 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -5.959 -17.431 -5.058 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -4.715 -18.586 -4.623 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -5.398 -20.492 -2.731 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -9.605 -19.968 -3.086 1.00 0.00 H new ATOM 0 HE2 HIS A 115 -7.758 -21.431 -2.092 1.00 0.00 H new ATOM 1798 N PHE A 116 -3.389 -18.501 -2.064 1.00 0.00 N ATOM 1799 CA PHE A 116 -2.871 -19.342 -0.995 1.00 0.00 C ATOM 1800 C PHE A 116 -2.542 -18.530 0.253 1.00 0.00 C ATOM 1801 O PHE A 116 -2.966 -18.898 1.348 1.00 0.00 O ATOM 1802 CB PHE A 116 -1.637 -20.117 -1.496 1.00 0.00 C ATOM 1803 CG PHE A 116 -0.790 -20.737 -0.394 1.00 0.00 C ATOM 1804 CD1 PHE A 116 0.259 -19.992 0.183 1.00 0.00 C ATOM 1805 CD2 PHE A 116 -1.081 -22.023 0.099 1.00 0.00 C ATOM 1806 CE1 PHE A 116 0.982 -20.505 1.273 1.00 0.00 C ATOM 1807 CE2 PHE A 116 -0.331 -22.556 1.163 1.00 0.00 C ATOM 1808 CZ PHE A 116 0.697 -21.797 1.751 1.00 0.00 C ATOM 0 H PHE A 116 -2.839 -18.541 -2.922 1.00 0.00 H new ATOM 0 HA PHE A 116 -3.646 -20.054 -0.712 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -1.969 -20.907 -2.170 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -1.012 -19.442 -2.080 1.00 0.00 H new ATOM 0 HD1 PHE A 116 0.509 -19.020 -0.216 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -1.881 -22.601 -0.340 1.00 0.00 H new ATOM 0 HE1 PHE A 116 1.752 -19.911 1.741 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -0.545 -23.549 1.529 1.00 0.00 H new ATOM 0 HZ PHE A 116 1.268 -22.207 2.571 1.00 0.00 H new ATOM 1818 N VAL A 117 -1.816 -17.419 0.111 1.00 0.00 N ATOM 1819 CA VAL A 117 -1.436 -16.644 1.288 1.00 0.00 C ATOM 1820 C VAL A 117 -2.682 -16.051 1.955 1.00 0.00 C ATOM 1821 O VAL A 117 -2.725 -15.937 3.179 1.00 0.00 O ATOM 1822 CB VAL A 117 -0.351 -15.593 0.982 1.00 0.00 C ATOM 1823 CG1 VAL A 117 0.933 -16.241 0.445 1.00 0.00 C ATOM 1824 CG2 VAL A 117 -0.802 -14.479 0.026 1.00 0.00 C ATOM 0 H VAL A 117 -1.489 -17.046 -0.780 1.00 0.00 H new ATOM 0 HA VAL A 117 -0.971 -17.321 2.005 1.00 0.00 H new ATOM 0 HB VAL A 117 -0.150 -15.122 1.944 1.00 0.00 H new ATOM 0 HG11 VAL A 117 1.673 -15.467 0.241 1.00 0.00 H new ATOM 0 HG12 VAL A 117 1.328 -16.935 1.187 1.00 0.00 H new ATOM 0 HG13 VAL A 117 0.711 -16.781 -0.475 1.00 0.00 H new ATOM 0 HG21 VAL A 117 0.021 -13.783 -0.135 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -1.100 -14.916 -0.927 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -1.648 -13.946 0.461 1.00 0.00 H new ATOM 1834 N ASN A 118 -3.726 -15.731 1.182 1.00 0.00 N ATOM 1835 CA ASN A 118 -4.974 -15.221 1.738 1.00 0.00 C ATOM 1836 C ASN A 118 -5.763 -16.310 2.458 1.00 0.00 C ATOM 1837 O ASN A 118 -6.464 -15.994 3.417 1.00 0.00 O ATOM 1838 CB ASN A 118 -5.825 -14.533 0.664 1.00 0.00 C ATOM 1839 CG ASN A 118 -5.394 -13.088 0.481 1.00 0.00 C ATOM 1840 OD1 ASN A 118 -5.973 -12.190 1.076 1.00 0.00 O ATOM 1841 ND2 ASN A 118 -4.357 -12.827 -0.294 1.00 0.00 N ATOM 0 H ASN A 118 -3.726 -15.819 0.166 1.00 0.00 H new ATOM 0 HA ASN A 118 -4.710 -14.470 2.483 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -5.730 -15.068 -0.281 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -6.877 -14.571 0.947 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -4.030 -11.867 -0.402 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -3.883 -13.585 -0.785 1.00 0.00 H new ATOM 1848 N GLU A 119 -5.626 -17.585 2.086 1.00 0.00 N ATOM 1849 CA GLU A 119 -6.189 -18.673 2.886 1.00 0.00 C ATOM 1850 C GLU A 119 -5.547 -18.675 4.277 1.00 0.00 C ATOM 1851 O GLU A 119 -6.237 -18.860 5.275 1.00 0.00 O ATOM 1852 CB GLU A 119 -6.024 -20.056 2.231 1.00 0.00 C ATOM 1853 CG GLU A 119 -6.708 -20.195 0.863 1.00 0.00 C ATOM 1854 CD GLU A 119 -6.693 -21.641 0.327 1.00 0.00 C ATOM 1855 OE1 GLU A 119 -5.659 -22.338 0.426 1.00 0.00 O ATOM 1856 OE2 GLU A 119 -7.721 -22.080 -0.239 1.00 0.00 O ATOM 0 H GLU A 119 -5.135 -17.887 1.244 1.00 0.00 H new ATOM 0 HA GLU A 119 -7.261 -18.489 2.962 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -4.961 -20.265 2.115 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -6.426 -20.814 2.904 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -7.740 -19.853 0.942 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -6.210 -19.542 0.146 1.00 0.00 H new ATOM 1863 N LEU A 120 -4.240 -18.422 4.375 1.00 0.00 N ATOM 1864 CA LEU A 120 -3.556 -18.406 5.663 1.00 0.00 C ATOM 1865 C LEU A 120 -3.942 -17.163 6.463 1.00 0.00 C ATOM 1866 O LEU A 120 -4.265 -17.273 7.642 1.00 0.00 O ATOM 1867 CB LEU A 120 -2.035 -18.456 5.480 1.00 0.00 C ATOM 1868 CG LEU A 120 -1.530 -19.665 4.682 1.00 0.00 C ATOM 1869 CD1 LEU A 120 -0.019 -19.534 4.489 1.00 0.00 C ATOM 1870 CD2 LEU A 120 -1.840 -20.993 5.375 1.00 0.00 C ATOM 0 H LEU A 120 -3.637 -18.226 3.576 1.00 0.00 H new ATOM 0 HA LEU A 120 -3.868 -19.293 6.215 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -1.712 -17.544 4.977 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -1.563 -18.463 6.463 1.00 0.00 H new ATOM 0 HG LEU A 120 -2.047 -19.671 3.722 1.00 0.00 H new ATOM 0 HD11 LEU A 120 0.351 -20.389 3.923 1.00 0.00 H new ATOM 0 HD12 LEU A 120 0.200 -18.616 3.944 1.00 0.00 H new ATOM 0 HD13 LEU A 120 0.471 -19.504 5.462 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -1.462 -21.816 4.769 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -1.361 -21.013 6.354 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -2.918 -21.097 5.496 1.00 0.00 H new ATOM 1882 N ARG A 121 -3.916 -15.981 5.835 1.00 0.00 N ATOM 1883 CA ARG A 121 -4.158 -14.706 6.512 1.00 0.00 C ATOM 1884 C ARG A 121 -5.639 -14.478 6.805 1.00 0.00 C ATOM 1885 O ARG A 121 -5.945 -13.610 7.620 1.00 0.00 O ATOM 1886 CB ARG A 121 -3.554 -13.557 5.673 1.00 0.00 C ATOM 1887 CG ARG A 121 -2.704 -12.561 6.483 1.00 0.00 C ATOM 1888 CD ARG A 121 -3.509 -11.579 7.338 1.00 0.00 C ATOM 1889 NE ARG A 121 -2.625 -10.621 8.029 1.00 0.00 N ATOM 1890 CZ ARG A 121 -3.010 -9.546 8.731 1.00 0.00 C ATOM 1891 NH1 ARG A 121 -4.302 -9.307 8.946 1.00 0.00 N ATOM 1892 NH2 ARG A 121 -2.111 -8.703 9.234 1.00 0.00 N ATOM 0 H ARG A 121 -3.725 -15.884 4.838 1.00 0.00 H new ATOM 0 HA ARG A 121 -3.664 -14.732 7.483 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -2.937 -13.985 4.883 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -4.364 -13.014 5.186 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -2.033 -13.122 7.133 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -2.079 -11.993 5.794 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -4.214 -11.037 6.707 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -4.097 -12.130 8.072 1.00 0.00 H new ATOM 0 HE ARG A 121 -1.622 -10.794 7.966 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -5.007 -9.944 8.576 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -4.587 -8.487 9.481 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -1.116 -8.871 9.087 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -2.417 -7.889 9.766 1.00 0.00 H new ATOM 1906 N TYR A 122 -6.562 -15.197 6.160 1.00 0.00 N ATOM 1907 CA TYR A 122 -7.989 -14.870 6.231 1.00 0.00 C ATOM 1908 C TYR A 122 -8.902 -16.106 6.270 1.00 0.00 C ATOM 1909 O TYR A 122 -10.124 -15.978 6.199 1.00 0.00 O ATOM 1910 CB TYR A 122 -8.333 -13.923 5.062 1.00 0.00 C ATOM 1911 CG TYR A 122 -9.437 -12.921 5.348 1.00 0.00 C ATOM 1912 CD1 TYR A 122 -9.134 -11.724 6.028 1.00 0.00 C ATOM 1913 CD2 TYR A 122 -10.752 -13.158 4.905 1.00 0.00 C ATOM 1914 CE1 TYR A 122 -10.139 -10.769 6.265 1.00 0.00 C ATOM 1915 CE2 TYR A 122 -11.763 -12.209 5.140 1.00 0.00 C ATOM 1916 CZ TYR A 122 -11.459 -11.005 5.817 1.00 0.00 C ATOM 1917 OH TYR A 122 -12.422 -10.066 6.040 1.00 0.00 O ATOM 0 H TYR A 122 -6.346 -16.010 5.583 1.00 0.00 H new ATOM 0 HA TYR A 122 -8.179 -14.368 7.179 1.00 0.00 H new ATOM 0 HB2 TYR A 122 -7.433 -13.377 4.780 1.00 0.00 H new ATOM 0 HB3 TYR A 122 -8.624 -14.525 4.201 1.00 0.00 H new ATOM 0 HD1 TYR A 122 -8.126 -11.539 6.368 1.00 0.00 H new ATOM 0 HD2 TYR A 122 -10.986 -14.073 4.382 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -9.902 -9.855 6.789 1.00 0.00 H new ATOM 0 HE2 TYR A 122 -12.771 -12.400 4.804 1.00 0.00 H new ATOM 0 HH TYR A 122 -13.275 -10.378 5.671 1.00 0.00 H new ATOM 1927 N GLY A 123 -8.347 -17.314 6.388 1.00 0.00 N ATOM 1928 CA GLY A 123 -9.091 -18.569 6.458 1.00 0.00 C ATOM 1929 C GLY A 123 -9.352 -19.119 5.057 1.00 0.00 C ATOM 1930 O GLY A 123 -9.047 -20.280 4.778 1.00 0.00 O ATOM 0 H GLY A 123 -7.337 -17.448 6.439 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -8.530 -19.298 7.042 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -10.038 -18.408 6.974 1.00 0.00 H new ATOM 1934 N VAL A 124 -9.844 -18.270 4.155 1.00 0.00 N ATOM 1935 CA VAL A 124 -10.065 -18.537 2.749 1.00 0.00 C ATOM 1936 C VAL A 124 -9.861 -17.211 2.005 1.00 0.00 C ATOM 1937 O VAL A 124 -10.252 -16.158 2.521 1.00 0.00 O ATOM 1938 CB VAL A 124 -11.498 -19.070 2.526 1.00 0.00 C ATOM 1939 CG1 VAL A 124 -11.581 -20.592 2.717 1.00 0.00 C ATOM 1940 CG2 VAL A 124 -12.591 -18.407 3.387 1.00 0.00 C ATOM 0 H VAL A 124 -10.113 -17.320 4.411 1.00 0.00 H new ATOM 0 HA VAL A 124 -9.374 -19.295 2.381 1.00 0.00 H new ATOM 0 HB VAL A 124 -11.704 -18.800 1.490 1.00 0.00 H new ATOM 0 HG11 VAL A 124 -12.606 -20.924 2.551 1.00 0.00 H new ATOM 0 HG12 VAL A 124 -10.920 -21.085 2.004 1.00 0.00 H new ATOM 0 HG13 VAL A 124 -11.276 -20.849 3.732 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -13.558 -18.853 3.154 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -12.366 -18.561 4.442 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -12.623 -17.338 3.175 1.00 0.00 H new ATOM 1950 N ALA A 125 -9.243 -17.247 0.818 1.00 0.00 N ATOM 1951 CA ALA A 125 -9.233 -16.083 -0.061 1.00 0.00 C ATOM 1952 C ALA A 125 -10.668 -15.686 -0.418 1.00 0.00 C ATOM 1953 O ALA A 125 -10.953 -14.472 -0.474 1.00 0.00 O ATOM 1954 CB ALA A 125 -8.428 -16.373 -1.326 1.00 0.00 C ATOM 1955 OXT ALA A 125 -11.498 -16.581 -0.682 1.00 0.00 O ATOM 0 H ALA A 125 -8.750 -18.062 0.452 1.00 0.00 H new ATOM 0 HA ALA A 125 -8.758 -15.253 0.462 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -8.432 -15.493 -1.969 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -7.401 -16.620 -1.055 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -8.875 -17.213 -1.857 1.00 0.00 H new