USER MOD reduce.3.24.130724 H: found=0, std=0, add=724, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 725 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 10 GLN : amide:sc=-0.000276 X(o=-0.015,f=0) USER MOD Set 1.2: A 14 ASN : amide:sc= -0.015 X(o=-0.015,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -0.138 X(o=-0.14,f=0.18) USER MOD Single : A 19 LYS NZ :NH3+ 162:sc= 0.0196 (180deg=0) USER MOD Single : A 20 CYS SG : rot -156:sc= -0.385 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.263 K(o=-0.26,f=-2.8!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= -1.64! USER MOD Single : A 59 SER OG : rot 180:sc= -0.444 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -2.08! C(o=-2.1!,f=-2.1!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 156:sc= -0.0865 (180deg=-0.436) USER MOD Single : A 82 LYS NZ :NH3+ -152:sc= 0.961 (180deg=0.449) USER MOD Single : A 85 MET CE :methyl -115:sc= -1.34 (180deg=-2.99!) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 0.694 -10.760 2.385 1.00 0.00 N ATOM 60 CA GLY A 7 0.771 -10.694 0.936 1.00 0.00 C ATOM 61 C GLY A 7 0.113 -9.418 0.408 1.00 0.00 C ATOM 62 O GLY A 7 0.799 -8.502 -0.042 1.00 0.00 O ATOM 0 HA2 GLY A 7 1.814 -10.726 0.622 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.281 -11.566 0.502 1.00 0.00 H new ATOM 66 N LEU A 8 -1.210 -9.399 0.482 1.00 0.00 N ATOM 67 CA LEU A 8 -1.969 -8.250 0.018 1.00 0.00 C ATOM 68 C LEU A 8 -1.436 -6.985 0.694 1.00 0.00 C ATOM 69 O LEU A 8 -1.158 -5.990 0.027 1.00 0.00 O ATOM 70 CB LEU A 8 -3.467 -8.477 0.229 1.00 0.00 C ATOM 71 CG LEU A 8 -4.066 -9.698 -0.470 1.00 0.00 C ATOM 72 CD1 LEU A 8 -3.373 -9.958 -1.809 1.00 0.00 C ATOM 73 CD2 LEU A 8 -4.029 -10.926 0.442 1.00 0.00 C ATOM 0 H LEU A 8 -1.776 -10.161 0.856 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.839 -8.116 -1.056 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -3.653 -8.568 1.299 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -4.000 -7.590 -0.113 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.114 -9.488 -0.685 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.818 -10.832 -2.285 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -3.495 -9.090 -2.457 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.311 -10.138 -1.640 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -4.461 -11.780 -0.080 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.996 -11.149 0.710 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.603 -10.725 1.346 1.00 0.00 H new ATOM 85 N LYS A 9 -1.311 -7.065 2.011 1.00 0.00 N ATOM 86 CA LYS A 9 -0.817 -5.939 2.785 1.00 0.00 C ATOM 87 C LYS A 9 0.299 -5.241 2.006 1.00 0.00 C ATOM 88 O LYS A 9 0.194 -4.056 1.691 1.00 0.00 O ATOM 89 CB LYS A 9 -0.398 -6.394 4.184 1.00 0.00 C ATOM 90 CG LYS A 9 -1.604 -6.456 5.124 1.00 0.00 C ATOM 91 CD LYS A 9 -1.160 -6.690 6.570 1.00 0.00 C ATOM 92 CE LYS A 9 -2.288 -7.312 7.395 1.00 0.00 C ATOM 93 NZ LYS A 9 -1.985 -7.220 8.841 1.00 0.00 N ATOM 0 H LYS A 9 -1.543 -7.892 2.561 1.00 0.00 H new ATOM 0 HA LYS A 9 -1.608 -5.205 2.937 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.073 -7.375 4.125 1.00 0.00 H new ATOM 0 HB3 LYS A 9 0.346 -5.707 4.586 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -2.169 -5.526 5.059 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.273 -7.258 4.811 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -0.289 -7.345 6.585 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.855 -5.744 7.018 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -3.227 -6.801 7.181 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -2.421 -8.356 7.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -2.761 -7.647 9.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -1.100 -7.727 9.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -1.881 -6.221 9.111 1.00 0.00 H new ATOM 107 N GLN A 10 1.343 -6.004 1.716 1.00 0.00 N ATOM 108 CA GLN A 10 2.477 -5.473 0.980 1.00 0.00 C ATOM 109 C GLN A 10 2.016 -4.889 -0.357 1.00 0.00 C ATOM 110 O GLN A 10 2.404 -3.779 -0.720 1.00 0.00 O ATOM 111 CB GLN A 10 3.546 -6.548 0.769 1.00 0.00 C ATOM 112 CG GLN A 10 4.916 -6.059 1.241 1.00 0.00 C ATOM 113 CD GLN A 10 5.999 -6.379 0.208 1.00 0.00 C ATOM 114 OE1 GLN A 10 6.780 -7.305 0.356 1.00 0.00 O ATOM 115 NE2 GLN A 10 6.001 -5.565 -0.844 1.00 0.00 N ATOM 0 H GLN A 10 1.427 -6.986 1.978 1.00 0.00 H new ATOM 0 HA GLN A 10 2.925 -4.672 1.569 1.00 0.00 H new ATOM 0 HB2 GLN A 10 3.271 -7.451 1.314 1.00 0.00 H new ATOM 0 HB3 GLN A 10 3.595 -6.815 -0.287 1.00 0.00 H new ATOM 0 HG2 GLN A 10 4.882 -4.984 1.416 1.00 0.00 H new ATOM 0 HG3 GLN A 10 5.166 -6.529 2.192 1.00 0.00 H new ATOM 0 HE21 GLN A 10 5.319 -4.809 -0.905 1.00 0.00 H new ATOM 0 HE22 GLN A 10 6.685 -5.697 -1.589 1.00 0.00 H new ATOM 124 N LYS A 11 1.194 -5.661 -1.052 1.00 0.00 N ATOM 125 CA LYS A 11 0.676 -5.234 -2.340 1.00 0.00 C ATOM 126 C LYS A 11 -0.117 -3.938 -2.162 1.00 0.00 C ATOM 127 O LYS A 11 0.332 -2.870 -2.574 1.00 0.00 O ATOM 128 CB LYS A 11 -0.126 -6.360 -2.996 1.00 0.00 C ATOM 129 CG LYS A 11 0.802 -7.436 -3.564 1.00 0.00 C ATOM 130 CD LYS A 11 0.649 -8.752 -2.800 1.00 0.00 C ATOM 131 CE LYS A 11 0.357 -9.910 -3.756 1.00 0.00 C ATOM 132 NZ LYS A 11 1.604 -10.633 -4.092 1.00 0.00 N ATOM 0 H LYS A 11 0.874 -6.580 -0.747 1.00 0.00 H new ATOM 0 HA LYS A 11 1.495 -5.016 -3.026 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.800 -6.805 -2.264 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.747 -5.952 -3.794 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.577 -7.595 -4.619 1.00 0.00 H new ATOM 0 HG3 LYS A 11 1.836 -7.096 -3.507 1.00 0.00 H new ATOM 0 HD2 LYS A 11 1.561 -8.959 -2.240 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.159 -8.663 -2.073 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -0.356 -10.596 -3.298 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -0.106 -9.530 -4.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 1.387 -11.416 -4.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 2.272 -9.979 -4.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 2.030 -11.013 -3.223 1.00 0.00 H new ATOM 146 N VAL A 12 -1.283 -4.075 -1.547 1.00 0.00 N ATOM 147 CA VAL A 12 -2.142 -2.928 -1.308 1.00 0.00 C ATOM 148 C VAL A 12 -1.296 -1.759 -0.801 1.00 0.00 C ATOM 149 O VAL A 12 -1.545 -0.608 -1.157 1.00 0.00 O ATOM 150 CB VAL A 12 -3.271 -3.310 -0.348 1.00 0.00 C ATOM 151 CG1 VAL A 12 -4.290 -2.177 -0.221 1.00 0.00 C ATOM 152 CG2 VAL A 12 -3.948 -4.610 -0.788 1.00 0.00 C ATOM 0 H VAL A 12 -1.653 -4.963 -1.207 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.617 -2.607 -2.235 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.832 -3.477 0.636 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.081 -2.475 0.467 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.795 -1.284 0.160 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.721 -1.964 -1.199 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.746 -4.859 -0.089 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.366 -4.483 -1.786 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.214 -5.416 -0.802 1.00 0.00 H new ATOM 162 N GLU A 13 -0.314 -2.094 0.022 1.00 0.00 N ATOM 163 CA GLU A 13 0.571 -1.086 0.581 1.00 0.00 C ATOM 164 C GLU A 13 1.282 -0.323 -0.538 1.00 0.00 C ATOM 165 O GLU A 13 1.136 0.893 -0.656 1.00 0.00 O ATOM 166 CB GLU A 13 1.580 -1.715 1.543 1.00 0.00 C ATOM 167 CG GLU A 13 0.985 -1.859 2.946 1.00 0.00 C ATOM 168 CD GLU A 13 1.244 -0.604 3.783 1.00 0.00 C ATOM 169 OE1 GLU A 13 2.431 -0.362 4.089 1.00 0.00 O ATOM 170 OE2 GLU A 13 0.248 0.083 4.097 1.00 0.00 O ATOM 0 H GLU A 13 -0.111 -3.050 0.316 1.00 0.00 H new ATOM 0 HA GLU A 13 -0.031 -0.378 1.150 1.00 0.00 H new ATOM 0 HB2 GLU A 13 1.882 -2.694 1.170 1.00 0.00 H new ATOM 0 HB3 GLU A 13 2.479 -1.099 1.587 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -0.088 -2.037 2.873 1.00 0.00 H new ATOM 0 HG3 GLU A 13 1.419 -2.727 3.442 1.00 0.00 H new ATOM 177 N ASN A 14 2.037 -1.069 -1.332 1.00 0.00 N ATOM 178 CA ASN A 14 2.771 -0.478 -2.438 1.00 0.00 C ATOM 179 C ASN A 14 1.785 0.172 -3.410 1.00 0.00 C ATOM 180 O ASN A 14 2.077 1.215 -3.992 1.00 0.00 O ATOM 181 CB ASN A 14 3.561 -1.540 -3.204 1.00 0.00 C ATOM 182 CG ASN A 14 5.065 -1.373 -2.981 1.00 0.00 C ATOM 183 OD1 ASN A 14 5.682 -0.418 -3.424 1.00 0.00 O ATOM 184 ND2 ASN A 14 5.619 -2.353 -2.272 1.00 0.00 N ATOM 0 H ASN A 14 2.156 -2.077 -1.231 1.00 0.00 H new ATOM 0 HA ASN A 14 3.462 0.259 -2.029 1.00 0.00 H new ATOM 0 HB2 ASN A 14 3.250 -2.533 -2.880 1.00 0.00 H new ATOM 0 HB3 ASN A 14 3.337 -1.467 -4.268 1.00 0.00 H new ATOM 0 HD21 ASN A 14 6.618 -2.334 -2.069 1.00 0.00 H new ATOM 0 HD22 ASN A 14 5.044 -3.124 -1.931 1.00 0.00 H new ATOM 191 N LEU A 15 0.636 -0.473 -3.556 1.00 0.00 N ATOM 192 CA LEU A 15 -0.395 0.029 -4.448 1.00 0.00 C ATOM 193 C LEU A 15 -0.608 1.522 -4.186 1.00 0.00 C ATOM 194 O LEU A 15 -0.244 2.358 -5.012 1.00 0.00 O ATOM 195 CB LEU A 15 -1.670 -0.806 -4.317 1.00 0.00 C ATOM 196 CG LEU A 15 -2.982 -0.080 -4.621 1.00 0.00 C ATOM 197 CD1 LEU A 15 -3.070 0.298 -6.101 1.00 0.00 C ATOM 198 CD2 LEU A 15 -4.186 -0.909 -4.168 1.00 0.00 C ATOM 0 H LEU A 15 0.397 -1.338 -3.072 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.081 -0.071 -5.487 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.589 -1.663 -4.985 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.721 -1.197 -3.301 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.998 0.849 -4.050 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.012 0.813 -6.290 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.240 0.955 -6.359 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.021 -0.604 -6.711 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.105 -0.370 -4.396 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.187 -1.865 -4.691 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.124 -1.083 -3.094 1.00 0.00 H new ATOM 210 N PHE A 16 -1.196 1.810 -3.035 1.00 0.00 N ATOM 211 CA PHE A 16 -1.462 3.187 -2.654 1.00 0.00 C ATOM 212 C PHE A 16 -0.239 4.071 -2.908 1.00 0.00 C ATOM 213 O PHE A 16 -0.293 4.992 -3.722 1.00 0.00 O ATOM 214 CB PHE A 16 -1.772 3.184 -1.156 1.00 0.00 C ATOM 215 CG PHE A 16 -2.991 2.342 -0.774 1.00 0.00 C ATOM 216 CD1 PHE A 16 -4.024 2.207 -1.648 1.00 0.00 C ATOM 217 CD2 PHE A 16 -3.042 1.729 0.439 1.00 0.00 C ATOM 218 CE1 PHE A 16 -5.156 1.425 -1.294 1.00 0.00 C ATOM 219 CE2 PHE A 16 -4.173 0.948 0.793 1.00 0.00 C ATOM 220 CZ PHE A 16 -5.206 0.812 -0.081 1.00 0.00 C ATOM 0 H PHE A 16 -1.496 1.113 -2.353 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.291 3.583 -3.240 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -0.902 2.811 -0.616 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -1.935 4.210 -0.827 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -3.984 2.694 -2.611 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -2.222 1.837 1.133 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -5.977 1.317 -1.988 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -4.213 0.462 1.756 1.00 0.00 H new ATOM 0 HZ PHE A 16 -6.066 0.217 0.188 1.00 0.00 H new ATOM 230 N ASN A 17 0.834 3.761 -2.196 1.00 0.00 N ATOM 231 CA ASN A 17 2.068 4.516 -2.334 1.00 0.00 C ATOM 232 C ASN A 17 2.295 4.849 -3.810 1.00 0.00 C ATOM 233 O ASN A 17 2.297 6.017 -4.194 1.00 0.00 O ATOM 234 CB ASN A 17 3.268 3.705 -1.842 1.00 0.00 C ATOM 235 CG ASN A 17 3.449 3.855 -0.330 1.00 0.00 C ATOM 236 OD1 ASN A 17 2.697 3.320 0.467 1.00 0.00 O ATOM 237 ND2 ASN A 17 4.486 4.611 0.018 1.00 0.00 N ATOM 0 H ASN A 17 0.875 2.997 -1.521 1.00 0.00 H new ATOM 0 HA ASN A 17 1.977 5.423 -1.737 1.00 0.00 H new ATOM 0 HB2 ASN A 17 3.128 2.653 -2.092 1.00 0.00 H new ATOM 0 HB3 ASN A 17 4.171 4.037 -2.355 1.00 0.00 H new ATOM 0 HD21 ASN A 17 4.691 4.772 1.004 1.00 0.00 H new ATOM 0 HD22 ASN A 17 5.076 5.030 -0.701 1.00 0.00 H new ATOM 244 N GLU A 18 2.480 3.800 -4.598 1.00 0.00 N ATOM 245 CA GLU A 18 2.707 3.965 -6.024 1.00 0.00 C ATOM 246 C GLU A 18 1.693 4.949 -6.612 1.00 0.00 C ATOM 247 O GLU A 18 2.073 5.933 -7.246 1.00 0.00 O ATOM 248 CB GLU A 18 2.648 2.619 -6.748 1.00 0.00 C ATOM 249 CG GLU A 18 4.054 2.114 -7.081 1.00 0.00 C ATOM 250 CD GLU A 18 4.316 2.175 -8.587 1.00 0.00 C ATOM 251 OE1 GLU A 18 3.660 1.394 -9.309 1.00 0.00 O ATOM 252 OE2 GLU A 18 5.167 3.001 -8.982 1.00 0.00 O ATOM 0 H GLU A 18 2.477 2.832 -4.276 1.00 0.00 H new ATOM 0 HA GLU A 18 3.707 4.374 -6.168 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.134 1.888 -6.124 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.067 2.720 -7.665 1.00 0.00 H new ATOM 0 HG2 GLU A 18 4.795 2.716 -6.555 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.169 1.089 -6.730 1.00 0.00 H new ATOM 259 N LYS A 19 0.423 4.650 -6.381 1.00 0.00 N ATOM 260 CA LYS A 19 -0.647 5.496 -6.880 1.00 0.00 C ATOM 261 C LYS A 19 -0.363 6.950 -6.498 1.00 0.00 C ATOM 262 O LYS A 19 -0.330 7.827 -7.360 1.00 0.00 O ATOM 263 CB LYS A 19 -2.005 4.986 -6.392 1.00 0.00 C ATOM 264 CG LYS A 19 -2.322 3.614 -6.990 1.00 0.00 C ATOM 265 CD LYS A 19 -2.374 3.680 -8.517 1.00 0.00 C ATOM 266 CE LYS A 19 -3.581 2.911 -9.059 1.00 0.00 C ATOM 267 NZ LYS A 19 -3.260 2.298 -10.368 1.00 0.00 N ATOM 0 H LYS A 19 0.111 3.834 -5.855 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.689 5.455 -7.968 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -2.004 4.921 -5.304 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.785 5.696 -6.668 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -1.565 2.894 -6.679 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.278 3.258 -6.605 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -2.427 4.720 -8.838 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -1.457 3.264 -8.934 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -3.874 2.137 -8.350 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.431 3.585 -9.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -3.949 1.548 -10.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -3.301 3.025 -11.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -2.304 1.890 -10.335 1.00 0.00 H new ATOM 281 N CYS A 20 -0.165 7.161 -5.205 1.00 0.00 N ATOM 282 CA CYS A 20 0.116 8.493 -4.698 1.00 0.00 C ATOM 283 C CYS A 20 1.101 9.172 -5.652 1.00 0.00 C ATOM 284 O CYS A 20 0.754 10.148 -6.316 1.00 0.00 O ATOM 285 CB CYS A 20 0.646 8.453 -3.264 1.00 0.00 C ATOM 286 SG CYS A 20 1.062 10.144 -2.702 1.00 0.00 S ATOM 0 H CYS A 20 -0.194 6.431 -4.493 1.00 0.00 H new ATOM 0 HA CYS A 20 -0.807 9.071 -4.658 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -0.102 8.015 -2.603 1.00 0.00 H new ATOM 0 HB3 CYS A 20 1.529 7.816 -3.212 1.00 0.00 H new ATOM 0 HG CYS A 20 1.944 10.080 -1.749 1.00 0.00 H new ATOM 292 N GLY A 21 2.309 8.630 -5.689 1.00 0.00 N ATOM 293 CA GLY A 21 3.346 9.171 -6.550 1.00 0.00 C ATOM 294 C GLY A 21 2.797 9.475 -7.946 1.00 0.00 C ATOM 295 O GLY A 21 3.101 10.518 -8.523 1.00 0.00 O ATOM 0 H GLY A 21 2.593 7.821 -5.136 1.00 0.00 H new ATOM 0 HA2 GLY A 21 3.752 10.081 -6.109 1.00 0.00 H new ATOM 0 HA3 GLY A 21 4.168 8.460 -6.626 1.00 0.00 H new ATOM 299 N GLU A 22 1.998 8.545 -8.448 1.00 0.00 N ATOM 300 CA GLU A 22 1.404 8.700 -9.764 1.00 0.00 C ATOM 301 C GLU A 22 0.394 9.849 -9.759 1.00 0.00 C ATOM 302 O GLU A 22 0.262 10.569 -10.748 1.00 0.00 O ATOM 303 CB GLU A 22 0.749 7.397 -10.227 1.00 0.00 C ATOM 304 CG GLU A 22 1.262 6.985 -11.608 1.00 0.00 C ATOM 305 CD GLU A 22 0.418 7.616 -12.718 1.00 0.00 C ATOM 306 OE1 GLU A 22 -0.780 7.268 -12.786 1.00 0.00 O ATOM 307 OE2 GLU A 22 0.991 8.432 -13.472 1.00 0.00 O ATOM 0 H GLU A 22 1.748 7.681 -7.966 1.00 0.00 H new ATOM 0 HA GLU A 22 2.197 8.942 -10.472 1.00 0.00 H new ATOM 0 HB2 GLU A 22 0.957 6.606 -9.507 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.333 7.522 -10.260 1.00 0.00 H new ATOM 0 HG2 GLU A 22 2.302 7.290 -11.719 1.00 0.00 H new ATOM 0 HG3 GLU A 22 1.237 5.899 -11.700 1.00 0.00 H new ATOM 314 N ALA A 23 -0.293 9.986 -8.635 1.00 0.00 N ATOM 315 CA ALA A 23 -1.287 11.036 -8.488 1.00 0.00 C ATOM 316 C ALA A 23 -0.619 12.397 -8.696 1.00 0.00 C ATOM 317 O ALA A 23 -1.143 13.246 -9.415 1.00 0.00 O ATOM 318 CB ALA A 23 -1.955 10.918 -7.116 1.00 0.00 C ATOM 0 H ALA A 23 -0.181 9.387 -7.817 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.068 10.933 -9.241 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.701 11.705 -7.005 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.439 9.945 -7.029 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.202 11.019 -6.335 1.00 0.00 H new ATOM 324 N LEU A 24 0.528 12.562 -8.053 1.00 0.00 N ATOM 325 CA LEU A 24 1.272 13.805 -8.158 1.00 0.00 C ATOM 326 C LEU A 24 1.891 13.907 -9.554 1.00 0.00 C ATOM 327 O LEU A 24 2.339 14.978 -9.961 1.00 0.00 O ATOM 328 CB LEU A 24 2.292 13.917 -7.023 1.00 0.00 C ATOM 329 CG LEU A 24 1.716 14.119 -5.620 1.00 0.00 C ATOM 330 CD1 LEU A 24 0.727 15.287 -5.597 1.00 0.00 C ATOM 331 CD2 LEU A 24 1.089 12.827 -5.093 1.00 0.00 C ATOM 0 H LEU A 24 0.960 11.855 -7.458 1.00 0.00 H new ATOM 0 HA LEU A 24 0.605 14.659 -8.041 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.900 13.013 -7.018 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.960 14.749 -7.243 1.00 0.00 H new ATOM 0 HG LEU A 24 2.535 14.376 -4.948 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.332 15.410 -4.588 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.237 16.201 -5.901 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.093 15.083 -6.286 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.687 12.998 -4.094 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.285 12.515 -5.759 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.848 12.046 -5.050 1.00 0.00 H new ATOM 343 N GLY A 25 1.897 12.778 -10.247 1.00 0.00 N ATOM 344 CA GLY A 25 2.454 12.727 -11.588 1.00 0.00 C ATOM 345 C GLY A 25 3.928 12.318 -11.555 1.00 0.00 C ATOM 346 O GLY A 25 4.701 12.696 -12.434 1.00 0.00 O ATOM 0 H GLY A 25 1.525 11.892 -9.905 1.00 0.00 H new ATOM 0 HA2 GLY A 25 1.890 12.018 -12.193 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.354 13.702 -12.064 1.00 0.00 H new ATOM 350 N LEU A 26 4.272 11.550 -10.531 1.00 0.00 N ATOM 351 CA LEU A 26 5.640 11.086 -10.372 1.00 0.00 C ATOM 352 C LEU A 26 5.766 9.676 -10.954 1.00 0.00 C ATOM 353 O LEU A 26 4.762 9.031 -11.249 1.00 0.00 O ATOM 354 CB LEU A 26 6.073 11.188 -8.908 1.00 0.00 C ATOM 355 CG LEU A 26 6.002 12.583 -8.283 1.00 0.00 C ATOM 356 CD1 LEU A 26 6.215 12.517 -6.770 1.00 0.00 C ATOM 357 CD2 LEU A 26 6.988 13.537 -8.960 1.00 0.00 C ATOM 0 H LEU A 26 3.628 11.238 -9.804 1.00 0.00 H new ATOM 0 HA LEU A 26 6.326 11.724 -10.929 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.451 10.515 -8.318 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.098 10.827 -8.827 1.00 0.00 H new ATOM 0 HG LEU A 26 5.002 12.982 -8.450 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.160 13.522 -6.351 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.442 11.893 -6.321 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.195 12.089 -6.559 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.918 14.521 -8.497 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.002 13.154 -8.845 1.00 0.00 H new ATOM 0 HD23 LEU A 26 6.748 13.616 -10.020 1.00 0.00 H new ATOM 369 N LYS A 27 7.008 9.240 -11.100 1.00 0.00 N ATOM 370 CA LYS A 27 7.279 7.919 -11.641 1.00 0.00 C ATOM 371 C LYS A 27 7.748 6.997 -10.514 1.00 0.00 C ATOM 372 O LYS A 27 8.198 5.880 -10.767 1.00 0.00 O ATOM 373 CB LYS A 27 8.261 8.010 -12.811 1.00 0.00 C ATOM 374 CG LYS A 27 7.722 7.272 -14.038 1.00 0.00 C ATOM 375 CD LYS A 27 8.436 5.933 -14.231 1.00 0.00 C ATOM 376 CE LYS A 27 8.779 5.701 -15.704 1.00 0.00 C ATOM 377 NZ LYS A 27 7.580 5.263 -16.453 1.00 0.00 N ATOM 0 H LYS A 27 7.838 9.778 -10.853 1.00 0.00 H new ATOM 0 HA LYS A 27 6.369 7.482 -12.052 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.439 9.056 -13.060 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.221 7.584 -12.519 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.651 7.104 -13.924 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.855 7.890 -14.926 1.00 0.00 H new ATOM 0 HD2 LYS A 27 9.348 5.914 -13.634 1.00 0.00 H new ATOM 0 HD3 LYS A 27 7.802 5.123 -13.870 1.00 0.00 H new ATOM 0 HE2 LYS A 27 9.173 6.619 -16.141 1.00 0.00 H new ATOM 0 HE3 LYS A 27 9.562 4.947 -15.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.831 5.110 -17.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.222 4.376 -16.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.844 5.995 -16.389 1.00 0.00 H new ATOM 391 N GLN A 28 7.627 7.499 -9.294 1.00 0.00 N ATOM 392 CA GLN A 28 8.033 6.734 -8.127 1.00 0.00 C ATOM 393 C GLN A 28 6.885 6.655 -7.118 1.00 0.00 C ATOM 394 O GLN A 28 5.796 7.168 -7.371 1.00 0.00 O ATOM 395 CB GLN A 28 9.286 7.335 -7.486 1.00 0.00 C ATOM 396 CG GLN A 28 9.059 8.801 -7.109 1.00 0.00 C ATOM 397 CD GLN A 28 9.787 9.151 -5.809 1.00 0.00 C ATOM 398 OE1 GLN A 28 10.264 8.294 -5.084 1.00 0.00 O ATOM 399 NE2 GLN A 28 9.844 10.456 -5.556 1.00 0.00 N ATOM 0 H GLN A 28 7.254 8.426 -9.088 1.00 0.00 H new ATOM 0 HA GLN A 28 8.279 5.722 -8.448 1.00 0.00 H new ATOM 0 HB2 GLN A 28 9.554 6.764 -6.597 1.00 0.00 H new ATOM 0 HB3 GLN A 28 10.125 7.259 -8.178 1.00 0.00 H new ATOM 0 HG2 GLN A 28 9.413 9.446 -7.913 1.00 0.00 H new ATOM 0 HG3 GLN A 28 7.992 8.990 -6.995 1.00 0.00 H new ATOM 0 HE21 GLN A 28 9.424 11.120 -6.206 1.00 0.00 H new ATOM 0 HE22 GLN A 28 10.308 10.792 -4.712 1.00 0.00 H new ATOM 408 N ALA A 29 7.169 6.009 -5.997 1.00 0.00 N ATOM 409 CA ALA A 29 6.174 5.856 -4.949 1.00 0.00 C ATOM 410 C ALA A 29 6.245 7.058 -4.005 1.00 0.00 C ATOM 411 O ALA A 29 7.277 7.721 -3.916 1.00 0.00 O ATOM 412 CB ALA A 29 6.397 4.529 -4.222 1.00 0.00 C ATOM 0 H ALA A 29 8.074 5.585 -5.791 1.00 0.00 H new ATOM 0 HA ALA A 29 5.171 5.829 -5.374 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.650 4.415 -3.436 1.00 0.00 H new ATOM 0 HB2 ALA A 29 6.306 3.706 -4.931 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.393 4.519 -3.780 1.00 0.00 H new ATOM 418 N VAL A 30 5.135 7.301 -3.323 1.00 0.00 N ATOM 419 CA VAL A 30 5.059 8.412 -2.389 1.00 0.00 C ATOM 420 C VAL A 30 4.088 8.058 -1.262 1.00 0.00 C ATOM 421 O VAL A 30 2.930 7.727 -1.516 1.00 0.00 O ATOM 422 CB VAL A 30 4.675 9.694 -3.130 1.00 0.00 C ATOM 423 CG1 VAL A 30 4.736 10.905 -2.197 1.00 0.00 C ATOM 424 CG2 VAL A 30 5.560 9.903 -4.360 1.00 0.00 C ATOM 0 H VAL A 30 4.281 6.748 -3.399 1.00 0.00 H new ATOM 0 HA VAL A 30 6.032 8.596 -1.934 1.00 0.00 H new ATOM 0 HB VAL A 30 3.646 9.587 -3.473 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.459 11.803 -2.748 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.044 10.760 -1.367 1.00 0.00 H new ATOM 0 HG13 VAL A 30 5.749 11.015 -1.810 1.00 0.00 H new ATOM 0 HG21 VAL A 30 5.266 10.821 -4.868 1.00 0.00 H new ATOM 0 HG22 VAL A 30 6.602 9.978 -4.050 1.00 0.00 H new ATOM 0 HG23 VAL A 30 5.444 9.059 -5.040 1.00 0.00 H new ATOM 434 N LYS A 31 4.594 8.140 -0.040 1.00 0.00 N ATOM 435 CA LYS A 31 3.785 7.832 1.127 1.00 0.00 C ATOM 436 C LYS A 31 2.381 8.412 0.937 1.00 0.00 C ATOM 437 O LYS A 31 2.181 9.306 0.116 1.00 0.00 O ATOM 438 CB LYS A 31 4.480 8.312 2.403 1.00 0.00 C ATOM 439 CG LYS A 31 4.369 7.266 3.514 1.00 0.00 C ATOM 440 CD LYS A 31 4.345 7.931 4.892 1.00 0.00 C ATOM 441 CE LYS A 31 2.986 8.580 5.164 1.00 0.00 C ATOM 442 NZ LYS A 31 2.696 8.587 6.615 1.00 0.00 N ATOM 0 H LYS A 31 5.554 8.415 0.167 1.00 0.00 H new ATOM 0 HA LYS A 31 3.673 6.753 1.238 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.530 8.516 2.195 1.00 0.00 H new ATOM 0 HB3 LYS A 31 4.033 9.249 2.735 1.00 0.00 H new ATOM 0 HG2 LYS A 31 3.463 6.677 3.375 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.210 6.576 3.454 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.558 7.189 5.662 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.130 8.685 4.950 1.00 0.00 H new ATOM 0 HE2 LYS A 31 2.981 9.601 4.781 1.00 0.00 H new ATOM 0 HE3 LYS A 31 2.204 8.036 4.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 1.770 9.031 6.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 2.681 7.610 6.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 3.433 9.125 7.114 1.00 0.00 H new ATOM 456 N VAL A 32 1.446 7.879 1.709 1.00 0.00 N ATOM 457 CA VAL A 32 0.067 8.332 1.636 1.00 0.00 C ATOM 458 C VAL A 32 -0.266 9.142 2.891 1.00 0.00 C ATOM 459 O VAL A 32 -0.417 8.580 3.974 1.00 0.00 O ATOM 460 CB VAL A 32 -0.866 7.138 1.430 1.00 0.00 C ATOM 461 CG1 VAL A 32 -2.327 7.539 1.645 1.00 0.00 C ATOM 462 CG2 VAL A 32 -0.666 6.518 0.045 1.00 0.00 C ATOM 0 H VAL A 32 1.616 7.137 2.388 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.074 8.989 0.778 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.613 6.384 2.175 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.969 6.671 1.492 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -2.456 7.912 2.661 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.598 8.320 0.935 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.341 5.671 -0.075 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.878 7.263 -0.721 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.364 6.177 -0.056 1.00 0.00 H new ATOM 472 N PRO A 33 -0.375 10.484 2.697 1.00 0.00 N ATOM 473 CA PRO A 33 -0.688 11.376 3.800 1.00 0.00 C ATOM 474 C PRO A 33 -2.166 11.277 4.183 1.00 0.00 C ATOM 475 O PRO A 33 -2.920 12.233 4.013 1.00 0.00 O ATOM 476 CB PRO A 33 -0.293 12.760 3.310 1.00 0.00 C ATOM 477 CG PRO A 33 -0.210 12.659 1.796 1.00 0.00 C ATOM 478 CD PRO A 33 -0.203 11.184 1.427 1.00 0.00 C ATOM 0 HA PRO A 33 -0.149 11.122 4.713 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -1.029 13.506 3.612 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.663 13.066 3.734 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -1.057 13.164 1.333 1.00 0.00 H new ATOM 0 HG3 PRO A 33 0.692 13.148 1.430 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -1.008 10.946 0.731 1.00 0.00 H new ATOM 0 HD3 PRO A 33 0.731 10.901 0.942 1.00 0.00 H new ATOM 486 N PHE A 34 -2.535 10.111 4.693 1.00 0.00 N ATOM 487 CA PHE A 34 -3.909 9.875 5.102 1.00 0.00 C ATOM 488 C PHE A 34 -4.485 11.096 5.821 1.00 0.00 C ATOM 489 O PHE A 34 -5.695 11.318 5.804 1.00 0.00 O ATOM 490 CB PHE A 34 -3.890 8.690 6.070 1.00 0.00 C ATOM 491 CG PHE A 34 -3.659 7.337 5.393 1.00 0.00 C ATOM 492 CD1 PHE A 34 -4.691 6.701 4.776 1.00 0.00 C ATOM 493 CD2 PHE A 34 -2.423 6.771 5.409 1.00 0.00 C ATOM 494 CE1 PHE A 34 -4.477 5.446 4.148 1.00 0.00 C ATOM 495 CE2 PHE A 34 -2.209 5.515 4.781 1.00 0.00 C ATOM 496 CZ PHE A 34 -3.240 4.879 4.164 1.00 0.00 C ATOM 0 H PHE A 34 -1.906 9.320 4.832 1.00 0.00 H new ATOM 0 HA PHE A 34 -4.528 9.677 4.227 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -3.108 8.852 6.811 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -4.837 8.658 6.608 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -5.673 7.151 4.764 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -1.604 7.276 5.899 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -5.296 4.941 3.657 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -1.227 5.065 4.794 1.00 0.00 H new ATOM 0 HZ PHE A 34 -3.077 3.924 3.687 1.00 0.00 H new ATOM 506 N ALA A 35 -3.592 11.857 6.436 1.00 0.00 N ATOM 507 CA ALA A 35 -3.996 13.051 7.159 1.00 0.00 C ATOM 508 C ALA A 35 -4.539 14.083 6.169 1.00 0.00 C ATOM 509 O ALA A 35 -5.647 14.588 6.338 1.00 0.00 O ATOM 510 CB ALA A 35 -2.811 13.584 7.967 1.00 0.00 C ATOM 0 H ALA A 35 -2.589 11.670 6.449 1.00 0.00 H new ATOM 0 HA ALA A 35 -4.794 12.821 7.865 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -3.114 14.480 8.509 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -2.483 12.824 8.676 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.991 13.829 7.292 1.00 0.00 H new ATOM 516 N LEU A 36 -3.732 14.365 5.156 1.00 0.00 N ATOM 517 CA LEU A 36 -4.118 15.328 4.138 1.00 0.00 C ATOM 518 C LEU A 36 -5.526 14.998 3.638 1.00 0.00 C ATOM 519 O LEU A 36 -6.254 15.885 3.194 1.00 0.00 O ATOM 520 CB LEU A 36 -3.067 15.383 3.027 1.00 0.00 C ATOM 521 CG LEU A 36 -1.890 16.331 3.264 1.00 0.00 C ATOM 522 CD1 LEU A 36 -0.856 16.212 2.143 1.00 0.00 C ATOM 523 CD2 LEU A 36 -2.374 17.771 3.446 1.00 0.00 C ATOM 0 H LEU A 36 -2.813 13.944 5.019 1.00 0.00 H new ATOM 0 HA LEU A 36 -4.156 16.333 4.558 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.674 14.378 2.876 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.562 15.674 2.100 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.396 16.037 4.190 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.030 16.896 2.336 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.479 15.190 2.103 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.322 16.465 1.190 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.518 18.424 3.613 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.906 18.092 2.550 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.044 17.824 4.304 1.00 0.00 H new ATOM 535 N PHE A 37 -5.866 13.721 3.725 1.00 0.00 N ATOM 536 CA PHE A 37 -7.174 13.263 3.286 1.00 0.00 C ATOM 537 C PHE A 37 -8.214 13.429 4.396 1.00 0.00 C ATOM 538 O PHE A 37 -9.403 13.577 4.120 1.00 0.00 O ATOM 539 CB PHE A 37 -7.037 11.777 2.950 1.00 0.00 C ATOM 540 CG PHE A 37 -6.320 11.501 1.627 1.00 0.00 C ATOM 541 CD1 PHE A 37 -4.961 11.458 1.587 1.00 0.00 C ATOM 542 CD2 PHE A 37 -7.040 11.300 0.491 1.00 0.00 C ATOM 543 CE1 PHE A 37 -4.295 11.202 0.359 1.00 0.00 C ATOM 544 CE2 PHE A 37 -6.374 11.045 -0.736 1.00 0.00 C ATOM 545 CZ PHE A 37 -5.015 11.001 -0.776 1.00 0.00 C ATOM 0 H PHE A 37 -5.259 12.989 4.093 1.00 0.00 H new ATOM 0 HA PHE A 37 -7.504 13.846 2.426 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -6.495 11.282 3.755 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -8.031 11.330 2.913 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -4.389 11.618 2.489 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -8.119 11.334 0.523 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.216 11.167 0.327 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -6.946 10.886 -1.638 1.00 0.00 H new ATOM 0 HZ PHE A 37 -4.508 10.806 -1.710 1.00 0.00 H new ATOM 555 N GLU A 38 -7.727 13.400 5.628 1.00 0.00 N ATOM 556 CA GLU A 38 -8.600 13.546 6.781 1.00 0.00 C ATOM 557 C GLU A 38 -8.852 15.026 7.072 1.00 0.00 C ATOM 558 O GLU A 38 -9.990 15.433 7.299 1.00 0.00 O ATOM 559 CB GLU A 38 -8.014 12.838 8.005 1.00 0.00 C ATOM 560 CG GLU A 38 -7.257 13.823 8.897 1.00 0.00 C ATOM 561 CD GLU A 38 -6.697 13.122 10.136 1.00 0.00 C ATOM 562 OE1 GLU A 38 -7.526 12.680 10.961 1.00 0.00 O ATOM 563 OE2 GLU A 38 -5.453 13.043 10.231 1.00 0.00 O ATOM 0 H GLU A 38 -6.740 13.278 5.853 1.00 0.00 H new ATOM 0 HA GLU A 38 -9.555 13.074 6.551 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -8.815 12.367 8.575 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.342 12.043 7.683 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.443 14.278 8.333 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.924 14.630 9.201 1.00 0.00 H new ATOM 570 N SER A 39 -7.771 15.792 7.056 1.00 0.00 N ATOM 571 CA SER A 39 -7.861 17.219 7.315 1.00 0.00 C ATOM 572 C SER A 39 -8.531 17.924 6.135 1.00 0.00 C ATOM 573 O SER A 39 -9.278 18.884 6.323 1.00 0.00 O ATOM 574 CB SER A 39 -6.478 17.819 7.576 1.00 0.00 C ATOM 575 OG SER A 39 -5.947 17.411 8.834 1.00 0.00 O ATOM 0 H SER A 39 -6.828 15.451 6.868 1.00 0.00 H new ATOM 0 HA SER A 39 -8.467 17.367 8.209 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.796 17.518 6.780 1.00 0.00 H new ATOM 0 HB3 SER A 39 -6.543 18.907 7.546 1.00 0.00 H new ATOM 0 HG SER A 39 -5.063 17.814 8.962 1.00 0.00 H new ATOM 581 N PHE A 40 -8.241 17.422 4.944 1.00 0.00 N ATOM 582 CA PHE A 40 -8.806 17.992 3.733 1.00 0.00 C ATOM 583 C PHE A 40 -9.348 16.896 2.812 1.00 0.00 C ATOM 584 O PHE A 40 -8.774 16.625 1.759 1.00 0.00 O ATOM 585 CB PHE A 40 -7.675 18.730 3.015 1.00 0.00 C ATOM 586 CG PHE A 40 -6.883 19.681 3.916 1.00 0.00 C ATOM 587 CD1 PHE A 40 -7.505 20.739 4.501 1.00 0.00 C ATOM 588 CD2 PHE A 40 -5.557 19.468 4.131 1.00 0.00 C ATOM 589 CE1 PHE A 40 -6.771 21.622 5.336 1.00 0.00 C ATOM 590 CE2 PHE A 40 -4.822 20.350 4.966 1.00 0.00 C ATOM 591 CZ PHE A 40 -5.445 21.408 5.551 1.00 0.00 C ATOM 0 H PHE A 40 -7.622 16.626 4.792 1.00 0.00 H new ATOM 0 HA PHE A 40 -9.631 18.658 3.986 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -6.991 17.997 2.587 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -8.095 19.298 2.185 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -8.558 20.908 4.330 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -5.063 18.628 3.666 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -7.265 22.463 5.800 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -3.769 20.181 5.137 1.00 0.00 H new ATOM 0 HZ PHE A 40 -4.886 22.079 6.187 1.00 0.00 H new ATOM 601 N PRO A 41 -10.477 16.281 3.255 1.00 0.00 N ATOM 602 CA PRO A 41 -11.103 15.221 2.483 1.00 0.00 C ATOM 603 C PRO A 41 -11.846 15.790 1.272 1.00 0.00 C ATOM 604 O PRO A 41 -12.125 15.069 0.315 1.00 0.00 O ATOM 605 CB PRO A 41 -12.022 14.510 3.463 1.00 0.00 C ATOM 606 CG PRO A 41 -12.229 15.477 4.617 1.00 0.00 C ATOM 607 CD PRO A 41 -11.185 16.576 4.497 1.00 0.00 C ATOM 0 HA PRO A 41 -10.379 14.525 2.060 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -12.971 14.254 2.993 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -11.577 13.578 3.810 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -13.233 15.899 4.586 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -12.131 14.959 5.571 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -11.650 17.561 4.463 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -10.506 16.572 5.350 1.00 0.00 H new ATOM 615 N GLU A 42 -12.147 17.078 1.354 1.00 0.00 N ATOM 616 CA GLU A 42 -12.852 17.752 0.277 1.00 0.00 C ATOM 617 C GLU A 42 -11.859 18.265 -0.768 1.00 0.00 C ATOM 618 O GLU A 42 -11.968 19.400 -1.228 1.00 0.00 O ATOM 619 CB GLU A 42 -13.717 18.892 0.818 1.00 0.00 C ATOM 620 CG GLU A 42 -15.183 18.701 0.425 1.00 0.00 C ATOM 621 CD GLU A 42 -16.046 19.848 0.955 1.00 0.00 C ATOM 622 OE1 GLU A 42 -15.873 20.186 2.146 1.00 0.00 O ATOM 623 OE2 GLU A 42 -16.860 20.362 0.156 1.00 0.00 O ATOM 0 H GLU A 42 -11.915 17.673 2.150 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.515 17.033 -0.203 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -13.630 18.935 1.904 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -13.354 19.844 0.431 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -15.268 18.648 -0.660 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -15.549 17.753 0.820 1.00 0.00 H new ATOM 630 N ASP A 43 -10.914 17.403 -1.113 1.00 0.00 N ATOM 631 CA ASP A 43 -9.903 17.755 -2.095 1.00 0.00 C ATOM 632 C ASP A 43 -9.074 16.514 -2.434 1.00 0.00 C ATOM 633 O ASP A 43 -8.787 16.255 -3.602 1.00 0.00 O ATOM 634 CB ASP A 43 -8.953 18.823 -1.550 1.00 0.00 C ATOM 635 CG ASP A 43 -9.160 20.226 -2.125 1.00 0.00 C ATOM 636 OD1 ASP A 43 -10.142 20.873 -1.702 1.00 0.00 O ATOM 637 OD2 ASP A 43 -8.331 20.619 -2.973 1.00 0.00 O ATOM 0 H ASP A 43 -10.827 16.462 -0.730 1.00 0.00 H new ATOM 0 HA ASP A 43 -10.411 18.142 -2.978 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -9.066 18.870 -0.467 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -7.928 18.512 -1.750 1.00 0.00 H new ATOM 642 N PHE A 44 -8.713 15.780 -1.392 1.00 0.00 N ATOM 643 CA PHE A 44 -7.923 14.573 -1.565 1.00 0.00 C ATOM 644 C PHE A 44 -8.750 13.326 -1.246 1.00 0.00 C ATOM 645 O PHE A 44 -9.326 13.218 -0.165 1.00 0.00 O ATOM 646 CB PHE A 44 -6.753 14.659 -0.583 1.00 0.00 C ATOM 647 CG PHE A 44 -5.909 15.926 -0.731 1.00 0.00 C ATOM 648 CD1 PHE A 44 -5.179 16.129 -1.861 1.00 0.00 C ATOM 649 CD2 PHE A 44 -5.887 16.850 0.267 1.00 0.00 C ATOM 650 CE1 PHE A 44 -4.395 17.305 -1.999 1.00 0.00 C ATOM 651 CE2 PHE A 44 -5.103 18.026 0.129 1.00 0.00 C ATOM 652 CZ PHE A 44 -4.374 18.228 -1.001 1.00 0.00 C ATOM 0 H PHE A 44 -8.953 15.998 -0.425 1.00 0.00 H new ATOM 0 HA PHE A 44 -7.583 14.496 -2.598 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -7.141 14.610 0.434 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -6.111 13.789 -0.721 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -5.196 15.395 -2.653 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -6.466 16.689 1.164 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -3.816 17.466 -2.896 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -5.086 18.760 0.921 1.00 0.00 H new ATOM 0 HZ PHE A 44 -3.778 19.122 -1.106 1.00 0.00 H new ATOM 662 N TYR A 45 -8.782 12.414 -2.207 1.00 0.00 N ATOM 663 CA TYR A 45 -9.529 11.179 -2.042 1.00 0.00 C ATOM 664 C TYR A 45 -9.231 10.202 -3.181 1.00 0.00 C ATOM 665 O TYR A 45 -8.843 10.615 -4.273 1.00 0.00 O ATOM 666 CB TYR A 45 -11.007 11.570 -2.095 1.00 0.00 C ATOM 667 CG TYR A 45 -11.433 12.217 -3.414 1.00 0.00 C ATOM 668 CD1 TYR A 45 -11.524 11.453 -4.560 1.00 0.00 C ATOM 669 CD2 TYR A 45 -11.727 13.565 -3.458 1.00 0.00 C ATOM 670 CE1 TYR A 45 -11.925 12.063 -5.801 1.00 0.00 C ATOM 671 CE2 TYR A 45 -12.128 14.174 -4.699 1.00 0.00 C ATOM 672 CZ TYR A 45 -12.207 13.393 -5.810 1.00 0.00 C ATOM 673 OH TYR A 45 -12.586 13.969 -6.983 1.00 0.00 O ATOM 0 H TYR A 45 -8.302 12.506 -3.103 1.00 0.00 H new ATOM 0 HA TYR A 45 -9.259 10.689 -1.106 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -11.614 10.680 -1.926 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -11.219 12.260 -1.279 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -11.295 10.398 -4.526 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -11.656 14.163 -2.561 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -12.000 11.477 -6.705 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -12.361 15.227 -4.747 1.00 0.00 H new ATOM 0 HH TYR A 45 -12.756 14.923 -6.839 1.00 0.00 H new ATOM 683 N VAL A 46 -9.425 8.924 -2.888 1.00 0.00 N ATOM 684 CA VAL A 46 -9.182 7.885 -3.874 1.00 0.00 C ATOM 685 C VAL A 46 -10.520 7.380 -4.417 1.00 0.00 C ATOM 686 O VAL A 46 -11.508 7.319 -3.686 1.00 0.00 O ATOM 687 CB VAL A 46 -8.327 6.773 -3.263 1.00 0.00 C ATOM 688 CG1 VAL A 46 -8.074 5.656 -4.277 1.00 0.00 C ATOM 689 CG2 VAL A 46 -7.009 7.330 -2.720 1.00 0.00 C ATOM 0 H VAL A 46 -9.748 8.585 -1.982 1.00 0.00 H new ATOM 0 HA VAL A 46 -8.618 8.284 -4.718 1.00 0.00 H new ATOM 0 HB VAL A 46 -8.880 6.347 -2.426 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.464 4.878 -3.817 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -9.026 5.230 -4.594 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -7.552 6.062 -5.143 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.420 6.519 -2.291 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.449 7.795 -3.531 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.218 8.073 -1.950 1.00 0.00 H new ATOM 699 N GLU A 47 -10.510 7.031 -5.695 1.00 0.00 N ATOM 700 CA GLU A 47 -11.711 6.533 -6.344 1.00 0.00 C ATOM 701 C GLU A 47 -11.426 5.198 -7.036 1.00 0.00 C ATOM 702 O GLU A 47 -10.271 4.792 -7.158 1.00 0.00 O ATOM 703 CB GLU A 47 -12.263 7.558 -7.337 1.00 0.00 C ATOM 704 CG GLU A 47 -12.282 8.960 -6.724 1.00 0.00 C ATOM 705 CD GLU A 47 -13.673 9.588 -6.835 1.00 0.00 C ATOM 706 OE1 GLU A 47 -14.092 9.839 -7.986 1.00 0.00 O ATOM 707 OE2 GLU A 47 -14.286 9.802 -5.767 1.00 0.00 O ATOM 0 H GLU A 47 -9.689 7.083 -6.299 1.00 0.00 H new ATOM 0 HA GLU A 47 -12.472 6.369 -5.581 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.652 7.560 -8.240 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.272 7.274 -7.635 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -11.986 8.907 -5.676 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -11.552 9.592 -7.230 1.00 0.00 H new ATOM 714 N GLY A 48 -12.499 4.553 -7.471 1.00 0.00 N ATOM 715 CA GLY A 48 -12.378 3.272 -8.147 1.00 0.00 C ATOM 716 C GLY A 48 -12.551 2.114 -7.162 1.00 0.00 C ATOM 717 O GLY A 48 -12.969 1.023 -7.548 1.00 0.00 O ATOM 0 H GLY A 48 -13.455 4.893 -7.369 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -13.129 3.200 -8.934 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -11.403 3.202 -8.629 1.00 0.00 H new ATOM 721 N LEU A 49 -12.221 2.390 -5.909 1.00 0.00 N ATOM 722 CA LEU A 49 -12.335 1.385 -4.866 1.00 0.00 C ATOM 723 C LEU A 49 -13.630 0.595 -5.064 1.00 0.00 C ATOM 724 O LEU A 49 -14.602 1.116 -5.609 1.00 0.00 O ATOM 725 CB LEU A 49 -12.212 2.030 -3.484 1.00 0.00 C ATOM 726 CG LEU A 49 -10.791 2.356 -3.020 1.00 0.00 C ATOM 727 CD1 LEU A 49 -10.811 3.288 -1.807 1.00 0.00 C ATOM 728 CD2 LEU A 49 -9.997 1.077 -2.747 1.00 0.00 C ATOM 0 H LEU A 49 -11.874 3.296 -5.592 1.00 0.00 H new ATOM 0 HA LEU A 49 -11.513 0.672 -4.933 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -12.794 2.952 -3.482 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -12.668 1.363 -2.752 1.00 0.00 H new ATOM 0 HG LEU A 49 -10.282 2.886 -3.825 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -9.789 3.504 -1.497 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -11.314 4.218 -2.071 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -11.344 2.807 -0.987 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -8.991 1.337 -2.419 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -10.495 0.499 -1.969 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -9.939 0.483 -3.659 1.00 0.00 H new ATOM 740 N PRO A 50 -13.602 -0.682 -4.597 1.00 0.00 N ATOM 741 CA PRO A 50 -14.762 -1.548 -4.717 1.00 0.00 C ATOM 742 C PRO A 50 -15.840 -1.165 -3.701 1.00 0.00 C ATOM 743 O PRO A 50 -15.563 -1.056 -2.508 1.00 0.00 O ATOM 744 CB PRO A 50 -14.225 -2.955 -4.511 1.00 0.00 C ATOM 745 CG PRO A 50 -12.879 -2.791 -3.825 1.00 0.00 C ATOM 746 CD PRO A 50 -12.469 -1.333 -3.946 1.00 0.00 C ATOM 0 HA PRO A 50 -15.253 -1.461 -5.686 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -14.906 -3.547 -3.899 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -14.117 -3.475 -5.463 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -12.947 -3.083 -2.777 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -12.133 -3.437 -4.288 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -12.269 -0.895 -2.968 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -11.558 -1.225 -4.535 1.00 0.00 H new ATOM 754 N GLU A 51 -17.047 -0.969 -4.212 1.00 0.00 N ATOM 755 CA GLU A 51 -18.168 -0.600 -3.365 1.00 0.00 C ATOM 756 C GLU A 51 -18.111 -1.370 -2.044 1.00 0.00 C ATOM 757 O GLU A 51 -17.936 -2.588 -2.039 1.00 0.00 O ATOM 758 CB GLU A 51 -19.499 -0.838 -4.081 1.00 0.00 C ATOM 759 CG GLU A 51 -20.311 0.456 -4.172 1.00 0.00 C ATOM 760 CD GLU A 51 -21.811 0.169 -4.074 1.00 0.00 C ATOM 761 OE1 GLU A 51 -22.316 0.171 -2.931 1.00 0.00 O ATOM 762 OE2 GLU A 51 -22.418 -0.047 -5.145 1.00 0.00 O ATOM 0 H GLU A 51 -17.273 -1.059 -5.203 1.00 0.00 H new ATOM 0 HA GLU A 51 -18.097 0.465 -3.146 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -19.313 -1.226 -5.082 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -20.073 -1.595 -3.547 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -20.014 1.133 -3.372 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -20.094 0.960 -5.114 1.00 0.00 H new ATOM 769 N GLY A 52 -18.262 -0.629 -0.957 1.00 0.00 N ATOM 770 CA GLY A 52 -18.230 -1.227 0.367 1.00 0.00 C ATOM 771 C GLY A 52 -16.804 -1.254 0.922 1.00 0.00 C ATOM 772 O GLY A 52 -16.596 -1.572 2.092 1.00 0.00 O ATOM 0 H GLY A 52 -18.407 0.381 -0.966 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -18.876 -0.663 1.040 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -18.626 -2.242 0.321 1.00 0.00 H new ATOM 776 N VAL A 53 -15.860 -0.917 0.056 1.00 0.00 N ATOM 777 CA VAL A 53 -14.460 -0.900 0.445 1.00 0.00 C ATOM 778 C VAL A 53 -13.934 0.535 0.375 1.00 0.00 C ATOM 779 O VAL A 53 -13.734 1.075 -0.712 1.00 0.00 O ATOM 780 CB VAL A 53 -13.663 -1.872 -0.427 1.00 0.00 C ATOM 781 CG1 VAL A 53 -12.195 -1.917 0.004 1.00 0.00 C ATOM 782 CG2 VAL A 53 -14.285 -3.269 -0.400 1.00 0.00 C ATOM 0 H VAL A 53 -16.037 -0.654 -0.913 1.00 0.00 H new ATOM 0 HA VAL A 53 -14.345 -1.239 1.475 1.00 0.00 H new ATOM 0 HB VAL A 53 -13.700 -1.509 -1.454 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -11.650 -2.615 -0.632 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -11.757 -0.923 -0.091 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -12.130 -2.245 1.042 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -13.699 -3.940 -1.028 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -14.293 -3.644 0.623 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -15.307 -3.220 -0.776 1.00 0.00 H new ATOM 792 N PRO A 54 -13.719 1.128 1.580 1.00 0.00 N ATOM 793 CA PRO A 54 -13.220 2.490 1.666 1.00 0.00 C ATOM 794 C PRO A 54 -11.728 2.549 1.332 1.00 0.00 C ATOM 795 O PRO A 54 -11.163 1.582 0.826 1.00 0.00 O ATOM 796 CB PRO A 54 -13.530 2.934 3.086 1.00 0.00 C ATOM 797 CG PRO A 54 -13.766 1.659 3.879 1.00 0.00 C ATOM 798 CD PRO A 54 -13.946 0.520 2.888 1.00 0.00 C ATOM 0 HA PRO A 54 -13.690 3.157 0.944 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -12.703 3.507 3.505 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -14.409 3.578 3.111 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -12.923 1.460 4.541 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -14.649 1.760 4.509 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -13.238 -0.286 3.078 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -14.945 0.089 2.957 1.00 0.00 H new ATOM 806 N PHE A 55 -11.133 3.695 1.630 1.00 0.00 N ATOM 807 CA PHE A 55 -9.718 3.893 1.368 1.00 0.00 C ATOM 808 C PHE A 55 -8.914 3.894 2.670 1.00 0.00 C ATOM 809 O PHE A 55 -7.953 4.648 2.810 1.00 0.00 O ATOM 810 CB PHE A 55 -9.575 5.259 0.694 1.00 0.00 C ATOM 811 CG PHE A 55 -8.128 5.660 0.401 1.00 0.00 C ATOM 812 CD1 PHE A 55 -7.333 4.844 -0.343 1.00 0.00 C ATOM 813 CD2 PHE A 55 -7.635 6.832 0.883 1.00 0.00 C ATOM 814 CE1 PHE A 55 -5.990 5.215 -0.615 1.00 0.00 C ATOM 815 CE2 PHE A 55 -6.292 7.204 0.611 1.00 0.00 C ATOM 816 CZ PHE A 55 -5.498 6.388 -0.132 1.00 0.00 C ATOM 0 H PHE A 55 -11.605 4.495 2.050 1.00 0.00 H new ATOM 0 HA PHE A 55 -9.340 3.087 0.739 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -10.136 5.252 -0.241 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -10.029 6.017 1.332 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -7.724 3.913 -0.727 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -8.266 7.480 1.473 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -5.359 4.567 -1.205 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -5.901 8.135 0.994 1.00 0.00 H new ATOM 0 HZ PHE A 55 -4.476 6.671 -0.339 1.00 0.00 H new ATOM 826 N ARG A 56 -9.337 3.039 3.589 1.00 0.00 N ATOM 827 CA ARG A 56 -8.669 2.931 4.875 1.00 0.00 C ATOM 828 C ARG A 56 -7.357 2.156 4.728 1.00 0.00 C ATOM 829 O ARG A 56 -7.028 1.686 3.640 1.00 0.00 O ATOM 830 CB ARG A 56 -9.558 2.224 5.900 1.00 0.00 C ATOM 831 CG ARG A 56 -10.547 3.203 6.536 1.00 0.00 C ATOM 832 CD ARG A 56 -10.103 3.592 7.948 1.00 0.00 C ATOM 833 NE ARG A 56 -11.196 3.332 8.911 1.00 0.00 N ATOM 834 CZ ARG A 56 -11.594 2.107 9.283 1.00 0.00 C ATOM 835 NH1 ARG A 56 -10.992 1.024 8.775 1.00 0.00 N ATOM 836 NH2 ARG A 56 -12.594 1.967 10.163 1.00 0.00 N ATOM 0 H ARG A 56 -10.134 2.414 3.469 1.00 0.00 H new ATOM 0 HA ARG A 56 -8.461 3.942 5.227 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -10.103 1.414 5.416 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.938 1.773 6.675 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -10.628 4.097 5.917 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -11.538 2.751 6.574 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -9.216 3.023 8.229 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -9.827 4.646 7.974 1.00 0.00 H new ATOM 0 HE ARG A 56 -11.677 4.135 9.317 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -10.230 1.131 8.105 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -11.295 0.092 9.058 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -13.052 2.792 10.550 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -12.897 1.035 10.446 1.00 0.00 H new ATOM 850 N ARG A 57 -6.644 2.048 5.839 1.00 0.00 N ATOM 851 CA ARG A 57 -5.376 1.339 5.847 1.00 0.00 C ATOM 852 C ARG A 57 -5.569 -0.101 5.368 1.00 0.00 C ATOM 853 O ARG A 57 -6.622 -0.697 5.591 1.00 0.00 O ATOM 854 CB ARG A 57 -4.762 1.324 7.249 1.00 0.00 C ATOM 855 CG ARG A 57 -4.517 2.747 7.755 1.00 0.00 C ATOM 856 CD ARG A 57 -4.346 2.766 9.275 1.00 0.00 C ATOM 857 NE ARG A 57 -3.609 3.982 9.687 1.00 0.00 N ATOM 858 CZ ARG A 57 -3.494 4.397 10.955 1.00 0.00 C ATOM 859 NH1 ARG A 57 -4.066 3.697 11.944 1.00 0.00 N ATOM 860 NH2 ARG A 57 -2.807 5.513 11.235 1.00 0.00 N ATOM 0 H ARG A 57 -6.920 2.439 6.740 1.00 0.00 H new ATOM 0 HA ARG A 57 -4.700 1.863 5.171 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -5.427 0.799 7.935 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -3.822 0.773 7.232 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -3.626 3.157 7.280 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -5.353 3.387 7.471 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -5.322 2.741 9.759 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -3.806 1.876 9.600 1.00 0.00 H new ATOM 0 HE ARG A 57 -3.161 4.539 8.959 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -4.589 2.848 11.731 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -3.978 4.013 12.910 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -2.372 6.046 10.482 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -2.719 5.829 12.201 1.00 0.00 H new ATOM 874 N PRO A 58 -4.510 -0.632 4.700 1.00 0.00 N ATOM 875 CA PRO A 58 -4.553 -1.991 4.187 1.00 0.00 C ATOM 876 C PRO A 58 -4.395 -3.009 5.318 1.00 0.00 C ATOM 877 O PRO A 58 -5.168 -3.961 5.413 1.00 0.00 O ATOM 878 CB PRO A 58 -3.432 -2.061 3.163 1.00 0.00 C ATOM 879 CG PRO A 58 -2.510 -0.892 3.474 1.00 0.00 C ATOM 880 CD PRO A 58 -3.247 0.045 4.417 1.00 0.00 C ATOM 0 HA PRO A 58 -5.510 -2.237 3.727 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -2.898 -3.009 3.232 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -3.825 -1.990 2.149 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -1.586 -1.246 3.932 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -2.232 -0.371 2.558 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -2.677 0.217 5.330 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -3.414 1.019 3.957 1.00 0.00 H new ATOM 888 N SER A 59 -3.389 -2.774 6.146 1.00 0.00 N ATOM 889 CA SER A 59 -3.119 -3.659 7.267 1.00 0.00 C ATOM 890 C SER A 59 -4.359 -3.769 8.157 1.00 0.00 C ATOM 891 O SER A 59 -4.472 -4.695 8.958 1.00 0.00 O ATOM 892 CB SER A 59 -1.922 -3.167 8.082 1.00 0.00 C ATOM 893 OG SER A 59 -0.684 -3.440 7.431 1.00 0.00 O ATOM 0 H SER A 59 -2.750 -1.983 6.064 1.00 0.00 H new ATOM 0 HA SER A 59 -2.874 -4.645 6.873 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.014 -2.094 8.250 1.00 0.00 H new ATOM 0 HB3 SER A 59 -1.929 -3.645 9.062 1.00 0.00 H new ATOM 0 HG SER A 59 0.055 -3.109 7.982 1.00 0.00 H new ATOM 899 N THR A 60 -5.257 -2.809 7.987 1.00 0.00 N ATOM 900 CA THR A 60 -6.484 -2.786 8.765 1.00 0.00 C ATOM 901 C THR A 60 -7.507 -3.759 8.175 1.00 0.00 C ATOM 902 O THR A 60 -8.291 -4.361 8.908 1.00 0.00 O ATOM 903 CB THR A 60 -6.981 -1.341 8.820 1.00 0.00 C ATOM 904 OG1 THR A 60 -6.470 -0.845 10.055 1.00 0.00 O ATOM 905 CG2 THR A 60 -8.500 -1.250 8.982 1.00 0.00 C ATOM 0 H THR A 60 -5.159 -2.042 7.322 1.00 0.00 H new ATOM 0 HA THR A 60 -6.312 -3.125 9.787 1.00 0.00 H new ATOM 0 HB THR A 60 -6.681 -0.819 7.911 1.00 0.00 H new ATOM 0 HG1 THR A 60 -6.744 0.089 10.171 1.00 0.00 H new ATOM 0 HG21 THR A 60 -8.800 -0.203 9.015 1.00 0.00 H new ATOM 0 HG22 THR A 60 -8.986 -1.740 8.138 1.00 0.00 H new ATOM 0 HG23 THR A 60 -8.797 -1.742 9.908 1.00 0.00 H new ATOM 913 N PHE A 61 -7.467 -3.883 6.857 1.00 0.00 N ATOM 914 CA PHE A 61 -8.382 -4.772 6.161 1.00 0.00 C ATOM 915 C PHE A 61 -8.053 -6.237 6.456 1.00 0.00 C ATOM 916 O PHE A 61 -7.008 -6.539 7.031 1.00 0.00 O ATOM 917 CB PHE A 61 -8.204 -4.514 4.663 1.00 0.00 C ATOM 918 CG PHE A 61 -8.723 -3.151 4.201 1.00 0.00 C ATOM 919 CD1 PHE A 61 -9.879 -2.653 4.717 1.00 0.00 C ATOM 920 CD2 PHE A 61 -8.030 -2.437 3.274 1.00 0.00 C ATOM 921 CE1 PHE A 61 -10.361 -1.388 4.288 1.00 0.00 C ATOM 922 CE2 PHE A 61 -8.512 -1.172 2.845 1.00 0.00 C ATOM 923 CZ PHE A 61 -9.668 -0.674 3.361 1.00 0.00 C ATOM 0 H PHE A 61 -6.815 -3.383 6.252 1.00 0.00 H new ATOM 0 HA PHE A 61 -9.405 -4.584 6.488 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -7.146 -4.592 4.415 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -8.720 -5.296 4.106 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -10.430 -3.220 5.453 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -7.112 -2.832 2.864 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -11.279 -0.993 4.698 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -7.961 -0.605 2.109 1.00 0.00 H new ATOM 0 HZ PHE A 61 -10.035 0.288 3.035 1.00 0.00 H new ATOM 933 N GLY A 62 -8.964 -7.108 6.048 1.00 0.00 N ATOM 934 CA GLY A 62 -8.784 -8.534 6.261 1.00 0.00 C ATOM 935 C GLY A 62 -8.061 -9.179 5.077 1.00 0.00 C ATOM 936 O GLY A 62 -7.625 -8.486 4.159 1.00 0.00 O ATOM 0 H GLY A 62 -9.829 -6.854 5.571 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -8.213 -8.699 7.174 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -9.755 -9.010 6.402 1.00 0.00 H new ATOM 940 N ILE A 63 -7.957 -10.499 5.135 1.00 0.00 N ATOM 941 CA ILE A 63 -7.295 -11.245 4.078 1.00 0.00 C ATOM 942 C ILE A 63 -8.091 -11.097 2.780 1.00 0.00 C ATOM 943 O ILE A 63 -7.517 -10.849 1.721 1.00 0.00 O ATOM 944 CB ILE A 63 -7.078 -12.698 4.504 1.00 0.00 C ATOM 945 CG1 ILE A 63 -5.904 -12.814 5.478 1.00 0.00 C ATOM 946 CG2 ILE A 63 -6.903 -13.606 3.285 1.00 0.00 C ATOM 947 CD1 ILE A 63 -6.047 -14.054 6.364 1.00 0.00 C ATOM 0 H ILE A 63 -8.320 -11.071 5.898 1.00 0.00 H new ATOM 0 HA ILE A 63 -6.301 -10.840 3.890 1.00 0.00 H new ATOM 0 HB ILE A 63 -7.969 -13.036 5.032 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.969 -12.867 4.921 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -5.854 -11.921 6.101 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -6.750 -14.633 3.616 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -7.796 -13.554 2.662 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -6.038 -13.278 2.708 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -5.200 -14.113 7.047 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -6.971 -13.987 6.938 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -6.072 -14.947 5.739 1.00 0.00 H new ATOM 959 N PRO A 64 -9.435 -11.259 2.908 1.00 0.00 N ATOM 960 CA PRO A 64 -10.315 -11.146 1.757 1.00 0.00 C ATOM 961 C PRO A 64 -10.496 -9.683 1.347 1.00 0.00 C ATOM 962 O PRO A 64 -10.204 -9.313 0.211 1.00 0.00 O ATOM 963 CB PRO A 64 -11.614 -11.806 2.189 1.00 0.00 C ATOM 964 CG PRO A 64 -11.575 -11.849 3.708 1.00 0.00 C ATOM 965 CD PRO A 64 -10.150 -11.553 4.146 1.00 0.00 C ATOM 0 HA PRO A 64 -9.912 -11.634 0.870 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -12.476 -11.240 1.836 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -11.700 -12.809 1.772 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -12.264 -11.116 4.128 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -11.890 -12.827 4.070 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -10.115 -10.708 4.834 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -9.710 -12.405 4.665 1.00 0.00 H new ATOM 973 N ARG A 65 -10.976 -8.891 2.294 1.00 0.00 N ATOM 974 CA ARG A 65 -11.199 -7.477 2.045 1.00 0.00 C ATOM 975 C ARG A 65 -9.984 -6.863 1.346 1.00 0.00 C ATOM 976 O ARG A 65 -10.126 -5.950 0.534 1.00 0.00 O ATOM 977 CB ARG A 65 -11.463 -6.723 3.350 1.00 0.00 C ATOM 978 CG ARG A 65 -12.743 -5.890 3.253 1.00 0.00 C ATOM 979 CD ARG A 65 -12.645 -4.631 4.117 1.00 0.00 C ATOM 980 NE ARG A 65 -12.934 -4.964 5.530 1.00 0.00 N ATOM 981 CZ ARG A 65 -14.145 -5.308 5.989 1.00 0.00 C ATOM 982 NH1 ARG A 65 -15.187 -5.367 5.148 1.00 0.00 N ATOM 983 NH2 ARG A 65 -14.314 -5.593 7.287 1.00 0.00 N ATOM 0 H ARG A 65 -11.217 -9.202 3.235 1.00 0.00 H new ATOM 0 HA ARG A 65 -12.075 -7.387 1.403 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -11.548 -7.432 4.173 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -10.618 -6.073 3.576 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -12.921 -5.610 2.215 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -13.596 -6.489 3.572 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -11.648 -4.199 4.033 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -13.349 -3.879 3.760 1.00 0.00 H new ATOM 0 HE ARG A 65 -12.163 -4.929 6.196 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -15.058 -5.150 4.160 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -16.109 -5.629 5.496 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -13.521 -5.548 7.926 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -15.236 -5.855 7.636 1.00 0.00 H new ATOM 997 N LEU A 66 -8.817 -7.388 1.688 1.00 0.00 N ATOM 998 CA LEU A 66 -7.578 -6.903 1.104 1.00 0.00 C ATOM 999 C LEU A 66 -7.577 -7.198 -0.397 1.00 0.00 C ATOM 1000 O LEU A 66 -7.445 -6.287 -1.213 1.00 0.00 O ATOM 1001 CB LEU A 66 -6.372 -7.483 1.845 1.00 0.00 C ATOM 1002 CG LEU A 66 -5.920 -6.719 3.091 1.00 0.00 C ATOM 1003 CD1 LEU A 66 -5.119 -7.624 4.029 1.00 0.00 C ATOM 1004 CD2 LEU A 66 -5.142 -5.458 2.709 1.00 0.00 C ATOM 0 H LEU A 66 -8.703 -8.145 2.362 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.502 -5.822 1.217 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -6.607 -8.507 2.136 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -5.534 -7.534 1.150 1.00 0.00 H new ATOM 0 HG LEU A 66 -6.808 -6.397 3.635 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.810 -7.056 4.907 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -5.739 -8.465 4.341 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -4.237 -7.997 3.509 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -4.832 -4.934 3.613 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.261 -5.735 2.131 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -5.778 -4.805 2.111 1.00 0.00 H new ATOM 1016 N GLU A 67 -7.726 -8.476 -0.717 1.00 0.00 N ATOM 1017 CA GLU A 67 -7.745 -8.903 -2.105 1.00 0.00 C ATOM 1018 C GLU A 67 -8.713 -8.037 -2.914 1.00 0.00 C ATOM 1019 O GLU A 67 -8.374 -7.570 -4.000 1.00 0.00 O ATOM 1020 CB GLU A 67 -8.109 -10.385 -2.218 1.00 0.00 C ATOM 1021 CG GLU A 67 -6.856 -11.262 -2.177 1.00 0.00 C ATOM 1022 CD GLU A 67 -6.746 -12.121 -3.438 1.00 0.00 C ATOM 1023 OE1 GLU A 67 -7.702 -12.887 -3.688 1.00 0.00 O ATOM 1024 OE2 GLU A 67 -5.709 -11.992 -4.123 1.00 0.00 O ATOM 0 H GLU A 67 -7.835 -9.229 -0.038 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.744 -8.776 -2.517 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.778 -10.662 -1.403 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.650 -10.560 -3.148 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.971 -10.633 -2.083 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.886 -11.904 -1.297 1.00 0.00 H new ATOM 1031 N LYS A 68 -9.898 -7.849 -2.354 1.00 0.00 N ATOM 1032 CA LYS A 68 -10.918 -7.048 -3.009 1.00 0.00 C ATOM 1033 C LYS A 68 -10.273 -5.789 -3.594 1.00 0.00 C ATOM 1034 O LYS A 68 -10.449 -5.488 -4.773 1.00 0.00 O ATOM 1035 CB LYS A 68 -12.072 -6.758 -2.048 1.00 0.00 C ATOM 1036 CG LYS A 68 -12.525 -8.033 -1.334 1.00 0.00 C ATOM 1037 CD LYS A 68 -14.015 -7.971 -0.994 1.00 0.00 C ATOM 1038 CE LYS A 68 -14.447 -9.203 -0.195 1.00 0.00 C ATOM 1039 NZ LYS A 68 -15.923 -9.289 -0.133 1.00 0.00 N ATOM 0 H LYS A 68 -10.175 -8.238 -1.453 1.00 0.00 H new ATOM 0 HA LYS A 68 -11.358 -7.598 -3.841 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -11.760 -6.017 -1.313 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -12.909 -6.328 -2.598 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -12.329 -8.898 -1.967 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -11.945 -8.168 -0.421 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -14.223 -7.069 -0.419 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -14.599 -7.906 -1.912 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -14.043 -10.104 -0.658 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -14.037 -9.152 0.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -16.199 -10.130 0.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -16.301 -8.437 0.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -16.307 -9.360 -1.097 1.00 0.00 H new ATOM 1053 N ILE A 69 -9.539 -5.089 -2.742 1.00 0.00 N ATOM 1054 CA ILE A 69 -8.868 -3.870 -3.159 1.00 0.00 C ATOM 1055 C ILE A 69 -8.043 -4.152 -4.417 1.00 0.00 C ATOM 1056 O ILE A 69 -8.279 -3.554 -5.465 1.00 0.00 O ATOM 1057 CB ILE A 69 -8.049 -3.287 -2.005 1.00 0.00 C ATOM 1058 CG1 ILE A 69 -8.957 -2.607 -0.978 1.00 0.00 C ATOM 1059 CG2 ILE A 69 -6.964 -2.342 -2.525 1.00 0.00 C ATOM 1060 CD1 ILE A 69 -8.598 -3.043 0.444 1.00 0.00 C ATOM 0 H ILE A 69 -9.394 -5.343 -1.765 1.00 0.00 H new ATOM 0 HA ILE A 69 -9.598 -3.104 -3.420 1.00 0.00 H new ATOM 0 HB ILE A 69 -7.544 -4.108 -1.496 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -8.864 -1.524 -1.065 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -9.998 -2.855 -1.187 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -6.397 -1.942 -1.685 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -6.293 -2.888 -3.188 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -7.428 -1.522 -3.073 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -9.258 -2.545 1.155 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -8.716 -4.123 0.534 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -7.564 -2.772 0.658 1.00 0.00 H new ATOM 1072 N LEU A 70 -7.092 -5.063 -4.270 1.00 0.00 N ATOM 1073 CA LEU A 70 -6.231 -5.432 -5.381 1.00 0.00 C ATOM 1074 C LEU A 70 -7.076 -5.579 -6.648 1.00 0.00 C ATOM 1075 O LEU A 70 -6.812 -4.923 -7.654 1.00 0.00 O ATOM 1076 CB LEU A 70 -5.417 -6.680 -5.036 1.00 0.00 C ATOM 1077 CG LEU A 70 -4.004 -6.433 -4.502 1.00 0.00 C ATOM 1078 CD1 LEU A 70 -3.218 -7.742 -4.405 1.00 0.00 C ATOM 1079 CD2 LEU A 70 -3.274 -5.387 -5.346 1.00 0.00 C ATOM 0 H LEU A 70 -6.899 -5.556 -3.398 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.500 -4.647 -5.574 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.969 -7.256 -4.293 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -5.343 -7.300 -5.930 1.00 0.00 H new ATOM 0 HG LEU A 70 -4.086 -6.031 -3.492 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -2.218 -7.538 -4.023 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -3.732 -8.426 -3.730 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.144 -8.196 -5.393 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -2.273 -5.230 -4.945 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -3.202 -5.736 -6.376 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.827 -4.448 -5.319 1.00 0.00 H new ATOM 1091 N ARG A 71 -8.075 -6.445 -6.557 1.00 0.00 N ATOM 1092 CA ARG A 71 -8.960 -6.687 -7.684 1.00 0.00 C ATOM 1093 C ARG A 71 -9.247 -5.379 -8.424 1.00 0.00 C ATOM 1094 O ARG A 71 -9.459 -5.381 -9.636 1.00 0.00 O ATOM 1095 CB ARG A 71 -10.282 -7.305 -7.223 1.00 0.00 C ATOM 1096 CG ARG A 71 -10.037 -8.564 -6.389 1.00 0.00 C ATOM 1097 CD ARG A 71 -11.167 -9.578 -6.583 1.00 0.00 C ATOM 1098 NE ARG A 71 -11.526 -10.189 -5.285 1.00 0.00 N ATOM 1099 CZ ARG A 71 -12.504 -11.092 -5.124 1.00 0.00 C ATOM 1100 NH1 ARG A 71 -13.224 -11.493 -6.180 1.00 0.00 N ATOM 1101 NH2 ARG A 71 -12.760 -11.593 -3.908 1.00 0.00 N ATOM 0 H ARG A 71 -8.291 -6.987 -5.721 1.00 0.00 H new ATOM 0 HA ARG A 71 -8.460 -7.385 -8.355 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -10.842 -6.578 -6.635 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -10.894 -7.552 -8.090 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -9.086 -9.014 -6.674 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -9.960 -8.297 -5.335 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -12.038 -9.086 -7.016 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -10.856 -10.352 -7.285 1.00 0.00 H new ATOM 0 HE ARG A 71 -10.996 -9.906 -4.461 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -13.028 -11.111 -7.105 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -13.968 -12.180 -6.059 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -12.211 -11.287 -3.105 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -13.504 -12.280 -3.786 1.00 0.00 H new ATOM 1115 N ASN A 72 -9.244 -4.293 -7.664 1.00 0.00 N ATOM 1116 CA ASN A 72 -9.501 -2.981 -8.233 1.00 0.00 C ATOM 1117 C ASN A 72 -8.283 -2.084 -8.006 1.00 0.00 C ATOM 1118 O ASN A 72 -8.397 -1.015 -7.407 1.00 0.00 O ATOM 1119 CB ASN A 72 -10.707 -2.318 -7.566 1.00 0.00 C ATOM 1120 CG ASN A 72 -12.015 -2.962 -8.032 1.00 0.00 C ATOM 1121 OD1 ASN A 72 -12.055 -3.731 -8.978 1.00 0.00 O ATOM 1122 ND2 ASN A 72 -13.078 -2.605 -7.318 1.00 0.00 N ATOM 0 H ASN A 72 -9.068 -4.295 -6.659 1.00 0.00 H new ATOM 0 HA ASN A 72 -9.702 -3.108 -9.297 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -10.621 -2.404 -6.483 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -10.718 -1.254 -7.801 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -13.998 -2.980 -7.550 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -12.974 -1.956 -6.538 1.00 0.00 H new ATOM 1129 N LYS A 73 -7.144 -2.551 -8.496 1.00 0.00 N ATOM 1130 CA LYS A 73 -5.905 -1.804 -8.354 1.00 0.00 C ATOM 1131 C LYS A 73 -5.763 -0.833 -9.527 1.00 0.00 C ATOM 1132 O LYS A 73 -5.502 0.353 -9.328 1.00 0.00 O ATOM 1133 CB LYS A 73 -4.719 -2.758 -8.198 1.00 0.00 C ATOM 1134 CG LYS A 73 -4.315 -3.355 -9.547 1.00 0.00 C ATOM 1135 CD LYS A 73 -3.147 -4.331 -9.388 1.00 0.00 C ATOM 1136 CE LYS A 73 -2.729 -4.911 -10.740 1.00 0.00 C ATOM 1137 NZ LYS A 73 -1.353 -5.452 -10.668 1.00 0.00 N ATOM 0 H LYS A 73 -7.053 -3.438 -8.992 1.00 0.00 H new ATOM 0 HA LYS A 73 -5.924 -1.204 -7.444 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -3.873 -2.225 -7.764 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -4.980 -3.558 -7.506 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -5.167 -3.871 -9.990 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -4.035 -2.556 -10.233 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -2.300 -3.819 -8.931 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -3.433 -5.139 -8.714 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -3.421 -5.700 -11.034 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -2.783 -4.138 -11.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -1.084 -5.842 -11.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -0.694 -4.691 -10.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -1.313 -6.204 -9.951 1.00 0.00 H new ATOM 1151 N ALA A 74 -5.942 -1.371 -10.724 1.00 0.00 N ATOM 1152 CA ALA A 74 -5.837 -0.566 -11.930 1.00 0.00 C ATOM 1153 C ALA A 74 -6.998 0.429 -11.976 1.00 0.00 C ATOM 1154 O ALA A 74 -6.826 1.569 -12.403 1.00 0.00 O ATOM 1155 CB ALA A 74 -5.805 -1.483 -13.154 1.00 0.00 C ATOM 0 H ALA A 74 -6.159 -2.355 -10.885 1.00 0.00 H new ATOM 0 HA ALA A 74 -4.911 0.009 -11.929 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.726 -0.880 -14.059 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.945 -2.150 -13.087 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -6.720 -2.074 -13.190 1.00 0.00 H new ATOM 1161 N LYS A 75 -8.155 -0.040 -11.532 1.00 0.00 N ATOM 1162 CA LYS A 75 -9.344 0.795 -11.517 1.00 0.00 C ATOM 1163 C LYS A 75 -9.133 1.960 -10.548 1.00 0.00 C ATOM 1164 O LYS A 75 -9.359 3.116 -10.903 1.00 0.00 O ATOM 1165 CB LYS A 75 -10.585 -0.046 -11.207 1.00 0.00 C ATOM 1166 CG LYS A 75 -10.740 -1.187 -12.215 1.00 0.00 C ATOM 1167 CD LYS A 75 -11.506 -0.723 -13.456 1.00 0.00 C ATOM 1168 CE LYS A 75 -11.030 -1.468 -14.704 1.00 0.00 C ATOM 1169 NZ LYS A 75 -11.484 -0.771 -15.928 1.00 0.00 N ATOM 0 H LYS A 75 -8.294 -0.987 -11.180 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.518 1.228 -12.502 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -10.510 -0.454 -10.199 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -11.472 0.587 -11.229 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.756 -1.555 -12.507 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -11.266 -2.020 -11.749 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -12.573 -0.891 -13.313 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -11.368 0.349 -13.593 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -9.942 -1.538 -14.700 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.415 -2.488 -14.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -11.152 -1.290 -16.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -12.523 -0.726 -15.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -11.096 0.194 -15.942 1.00 0.00 H new ATOM 1183 N ILE A 76 -8.702 1.615 -9.344 1.00 0.00 N ATOM 1184 CA ILE A 76 -8.458 2.618 -8.321 1.00 0.00 C ATOM 1185 C ILE A 76 -7.783 3.835 -8.957 1.00 0.00 C ATOM 1186 O ILE A 76 -6.987 3.694 -9.883 1.00 0.00 O ATOM 1187 CB ILE A 76 -7.668 2.015 -7.157 1.00 0.00 C ATOM 1188 CG1 ILE A 76 -8.603 1.348 -6.147 1.00 0.00 C ATOM 1189 CG2 ILE A 76 -6.770 3.066 -6.501 1.00 0.00 C ATOM 1190 CD1 ILE A 76 -7.832 0.391 -5.235 1.00 0.00 C ATOM 0 H ILE A 76 -8.515 0.655 -9.054 1.00 0.00 H new ATOM 0 HA ILE A 76 -9.399 2.962 -7.893 1.00 0.00 H new ATOM 0 HB ILE A 76 -7.016 1.237 -7.554 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -9.097 2.110 -5.545 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -9.385 0.802 -6.675 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -6.220 2.611 -5.677 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -6.066 3.454 -7.237 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -7.384 3.883 -6.121 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -8.520 -0.070 -4.526 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -7.359 -0.384 -5.838 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -7.067 0.944 -4.690 1.00 0.00 H new ATOM 1202 N LYS A 77 -8.128 5.003 -8.434 1.00 0.00 N ATOM 1203 CA LYS A 77 -7.566 6.244 -8.939 1.00 0.00 C ATOM 1204 C LYS A 77 -7.483 7.262 -7.800 1.00 0.00 C ATOM 1205 O LYS A 77 -8.360 7.308 -6.939 1.00 0.00 O ATOM 1206 CB LYS A 77 -8.360 6.738 -10.150 1.00 0.00 C ATOM 1207 CG LYS A 77 -7.466 7.530 -11.106 1.00 0.00 C ATOM 1208 CD LYS A 77 -8.083 7.597 -12.505 1.00 0.00 C ATOM 1209 CE LYS A 77 -7.860 8.972 -13.137 1.00 0.00 C ATOM 1210 NZ LYS A 77 -8.566 9.066 -14.435 1.00 0.00 N ATOM 0 H LYS A 77 -8.790 5.116 -7.666 1.00 0.00 H new ATOM 0 HA LYS A 77 -6.549 6.084 -9.298 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -8.796 5.888 -10.675 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -9.187 7.365 -9.816 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -7.319 8.539 -10.721 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -6.482 7.063 -11.160 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -7.643 6.826 -13.138 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -9.151 7.389 -12.446 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -8.219 9.751 -12.464 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -6.793 9.143 -13.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -8.404 10.005 -14.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -8.205 8.335 -15.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -9.586 8.924 -14.287 1.00 0.00 H new ATOM 1224 N PHE A 78 -6.420 8.053 -7.832 1.00 0.00 N ATOM 1225 CA PHE A 78 -6.211 9.067 -6.813 1.00 0.00 C ATOM 1226 C PHE A 78 -6.495 10.466 -7.366 1.00 0.00 C ATOM 1227 O PHE A 78 -5.963 10.845 -8.408 1.00 0.00 O ATOM 1228 CB PHE A 78 -4.742 8.985 -6.395 1.00 0.00 C ATOM 1229 CG PHE A 78 -4.437 7.852 -5.413 1.00 0.00 C ATOM 1230 CD1 PHE A 78 -4.827 6.581 -5.699 1.00 0.00 C ATOM 1231 CD2 PHE A 78 -3.775 8.115 -4.255 1.00 0.00 C ATOM 1232 CE1 PHE A 78 -4.544 5.529 -4.788 1.00 0.00 C ATOM 1233 CE2 PHE A 78 -3.492 7.064 -3.344 1.00 0.00 C ATOM 1234 CZ PHE A 78 -3.882 5.793 -3.630 1.00 0.00 C ATOM 0 H PHE A 78 -5.695 8.012 -8.548 1.00 0.00 H new ATOM 0 HA PHE A 78 -6.883 8.894 -5.972 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -4.128 8.855 -7.286 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -4.450 9.933 -5.942 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -5.352 6.372 -6.619 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -3.464 9.124 -4.028 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -4.854 4.520 -5.015 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -2.967 7.274 -2.424 1.00 0.00 H new ATOM 0 HZ PHE A 78 -3.666 4.993 -2.937 1.00 0.00 H new ATOM 1244 N ILE A 79 -7.332 11.194 -6.642 1.00 0.00 N ATOM 1245 CA ILE A 79 -7.692 12.543 -7.047 1.00 0.00 C ATOM 1246 C ILE A 79 -6.985 13.550 -6.137 1.00 0.00 C ATOM 1247 O ILE A 79 -7.167 13.528 -4.921 1.00 0.00 O ATOM 1248 CB ILE A 79 -9.213 12.704 -7.078 1.00 0.00 C ATOM 1249 CG1 ILE A 79 -9.807 12.065 -8.335 1.00 0.00 C ATOM 1250 CG2 ILE A 79 -9.611 14.175 -6.939 1.00 0.00 C ATOM 1251 CD1 ILE A 79 -9.301 10.633 -8.513 1.00 0.00 C ATOM 0 H ILE A 79 -7.771 10.876 -5.778 1.00 0.00 H new ATOM 0 HA ILE A 79 -7.353 12.739 -8.064 1.00 0.00 H new ATOM 0 HB ILE A 79 -9.630 12.175 -6.221 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -10.895 12.064 -8.268 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -9.542 12.659 -9.209 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -10.697 14.262 -6.964 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -9.237 14.565 -5.992 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -9.182 14.747 -7.762 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -9.738 10.202 -9.414 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -8.215 10.640 -8.604 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -9.589 10.035 -7.648 1.00 0.00 H new ATOM 1263 N ILE A 80 -6.192 14.408 -6.762 1.00 0.00 N ATOM 1264 CA ILE A 80 -5.457 15.421 -6.024 1.00 0.00 C ATOM 1265 C ILE A 80 -5.835 16.806 -6.553 1.00 0.00 C ATOM 1266 O ILE A 80 -5.498 17.156 -7.684 1.00 0.00 O ATOM 1267 CB ILE A 80 -3.955 15.134 -6.071 1.00 0.00 C ATOM 1268 CG1 ILE A 80 -3.662 13.683 -5.681 1.00 0.00 C ATOM 1269 CG2 ILE A 80 -3.179 16.128 -5.205 1.00 0.00 C ATOM 1270 CD1 ILE A 80 -3.451 13.554 -4.171 1.00 0.00 C ATOM 0 H ILE A 80 -6.042 14.422 -7.771 1.00 0.00 H new ATOM 0 HA ILE A 80 -5.730 15.397 -4.969 1.00 0.00 H new ATOM 0 HB ILE A 80 -3.614 15.267 -7.098 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.489 13.045 -5.992 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -2.774 13.333 -6.207 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -2.114 15.901 -5.256 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -3.352 17.141 -5.569 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -3.517 16.051 -4.172 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.245 12.514 -3.920 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -2.608 14.175 -3.867 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -4.350 13.882 -3.649 1.00 0.00 H new ATOM 1282 N LYS A 81 -6.529 17.557 -5.711 1.00 0.00 N ATOM 1283 CA LYS A 81 -6.956 18.896 -6.080 1.00 0.00 C ATOM 1284 C LYS A 81 -5.883 19.903 -5.660 1.00 0.00 C ATOM 1285 O LYS A 81 -5.649 20.892 -6.353 1.00 0.00 O ATOM 1286 CB LYS A 81 -8.340 19.196 -5.501 1.00 0.00 C ATOM 1287 CG LYS A 81 -9.426 18.417 -6.246 1.00 0.00 C ATOM 1288 CD LYS A 81 -10.807 18.691 -5.647 1.00 0.00 C ATOM 1289 CE LYS A 81 -11.595 17.392 -5.466 1.00 0.00 C ATOM 1290 NZ LYS A 81 -12.747 17.606 -4.563 1.00 0.00 N ATOM 0 H LYS A 81 -6.806 17.264 -4.774 1.00 0.00 H new ATOM 0 HA LYS A 81 -7.064 18.976 -7.162 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -8.360 18.934 -4.443 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -8.543 20.265 -5.569 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -9.421 18.696 -7.300 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -9.210 17.350 -6.198 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -10.697 19.191 -4.685 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -11.361 19.369 -6.297 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -11.946 17.035 -6.434 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -10.944 16.619 -5.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -13.477 16.891 -4.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -12.434 17.523 -3.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -13.142 18.555 -4.723 1.00 0.00 H new ATOM 1304 N LYS A 82 -5.259 19.616 -4.527 1.00 0.00 N ATOM 1305 CA LYS A 82 -4.217 20.484 -4.006 1.00 0.00 C ATOM 1306 C LYS A 82 -2.897 19.713 -3.953 1.00 0.00 C ATOM 1307 O LYS A 82 -2.502 19.223 -2.896 1.00 0.00 O ATOM 1308 CB LYS A 82 -4.637 21.079 -2.661 1.00 0.00 C ATOM 1309 CG LYS A 82 -5.641 22.217 -2.853 1.00 0.00 C ATOM 1310 CD LYS A 82 -5.043 23.556 -2.417 1.00 0.00 C ATOM 1311 CE LYS A 82 -5.385 24.661 -3.418 1.00 0.00 C ATOM 1312 NZ LYS A 82 -4.638 25.898 -3.100 1.00 0.00 N ATOM 0 H LYS A 82 -5.455 18.794 -3.955 1.00 0.00 H new ATOM 0 HA LYS A 82 -4.063 21.335 -4.669 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -5.078 20.301 -2.038 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -3.758 21.450 -2.133 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -5.938 22.271 -3.900 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -6.543 22.012 -2.276 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -5.422 23.824 -1.431 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -3.961 23.463 -2.328 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -5.142 24.332 -4.428 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -6.456 24.860 -3.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -5.178 26.724 -3.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -4.497 25.964 -2.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -3.713 25.877 -3.576 1.00 0.00 H new ATOM 1326 N PRO A 83 -2.233 19.626 -5.137 1.00 0.00 N ATOM 1327 CA PRO A 83 -0.965 18.923 -5.235 1.00 0.00 C ATOM 1328 C PRO A 83 0.168 19.747 -4.620 1.00 0.00 C ATOM 1329 O PRO A 83 1.171 19.193 -4.174 1.00 0.00 O ATOM 1330 CB PRO A 83 -0.773 18.663 -6.720 1.00 0.00 C ATOM 1331 CG PRO A 83 -1.700 19.632 -7.436 1.00 0.00 C ATOM 1332 CD PRO A 83 -2.670 20.194 -6.409 1.00 0.00 C ATOM 0 HA PRO A 83 -0.959 17.987 -4.677 1.00 0.00 H new ATOM 0 HB2 PRO A 83 0.264 18.825 -7.014 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -1.018 17.631 -6.971 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -1.128 20.435 -7.900 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -2.241 19.124 -8.234 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -2.638 21.283 -6.388 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -3.697 19.910 -6.637 1.00 0.00 H new ATOM 1340 N GLU A 84 -0.030 21.057 -4.617 1.00 0.00 N ATOM 1341 CA GLU A 84 0.962 21.963 -4.064 1.00 0.00 C ATOM 1342 C GLU A 84 1.088 21.755 -2.553 1.00 0.00 C ATOM 1343 O GLU A 84 2.024 22.253 -1.930 1.00 0.00 O ATOM 1344 CB GLU A 84 0.619 23.417 -4.391 1.00 0.00 C ATOM 1345 CG GLU A 84 -0.683 23.841 -3.708 1.00 0.00 C ATOM 1346 CD GLU A 84 -1.129 25.223 -4.189 1.00 0.00 C ATOM 1347 OE1 GLU A 84 -0.296 26.151 -4.103 1.00 0.00 O ATOM 1348 OE2 GLU A 84 -2.294 25.321 -4.632 1.00 0.00 O ATOM 0 H GLU A 84 -0.863 21.513 -4.989 1.00 0.00 H new ATOM 0 HA GLU A 84 1.925 21.740 -4.523 1.00 0.00 H new ATOM 0 HB2 GLU A 84 1.432 24.067 -4.068 1.00 0.00 H new ATOM 0 HB3 GLU A 84 0.524 23.538 -5.470 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.463 23.109 -3.918 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.543 23.856 -2.627 1.00 0.00 H new ATOM 1355 N MET A 85 0.130 21.019 -2.008 1.00 0.00 N ATOM 1356 CA MET A 85 0.122 20.740 -0.582 1.00 0.00 C ATOM 1357 C MET A 85 0.895 19.457 -0.270 1.00 0.00 C ATOM 1358 O MET A 85 1.347 19.259 0.857 1.00 0.00 O ATOM 1359 CB MET A 85 -1.322 20.596 -0.098 1.00 0.00 C ATOM 1360 CG MET A 85 -1.975 21.967 0.095 1.00 0.00 C ATOM 1361 SD MET A 85 -1.886 22.448 1.811 1.00 0.00 S ATOM 1362 CE MET A 85 -3.118 21.357 2.503 1.00 0.00 C ATOM 0 H MET A 85 -0.645 20.608 -2.528 1.00 0.00 H new ATOM 0 HA MET A 85 0.607 21.569 -0.066 1.00 0.00 H new ATOM 0 HB2 MET A 85 -1.895 20.015 -0.820 1.00 0.00 H new ATOM 0 HB3 MET A 85 -1.341 20.045 0.842 1.00 0.00 H new ATOM 0 HG2 MET A 85 -1.473 22.709 -0.526 1.00 0.00 H new ATOM 0 HG3 MET A 85 -3.015 21.932 -0.228 1.00 0.00 H new ATOM 0 HE1 MET A 85 -3.949 21.946 2.891 1.00 0.00 H new ATOM 0 HE2 MET A 85 -3.482 20.682 1.729 1.00 0.00 H new ATOM 0 HE3 MET A 85 -2.676 20.776 3.312 1.00 0.00 H new ATOM 1372 N PHE A 86 1.024 18.619 -1.288 1.00 0.00 N ATOM 1373 CA PHE A 86 1.734 17.361 -1.137 1.00 0.00 C ATOM 1374 C PHE A 86 3.245 17.565 -1.267 1.00 0.00 C ATOM 1375 O PHE A 86 4.029 16.813 -0.690 1.00 0.00 O ATOM 1376 CB PHE A 86 1.257 16.439 -2.261 1.00 0.00 C ATOM 1377 CG PHE A 86 0.245 15.383 -1.814 1.00 0.00 C ATOM 1378 CD1 PHE A 86 -1.013 15.756 -1.456 1.00 0.00 C ATOM 1379 CD2 PHE A 86 0.603 14.072 -1.773 1.00 0.00 C ATOM 1380 CE1 PHE A 86 -1.953 14.775 -1.040 1.00 0.00 C ATOM 1381 CE2 PHE A 86 -0.336 13.092 -1.358 1.00 0.00 C ATOM 1382 CZ PHE A 86 -1.594 13.464 -1.000 1.00 0.00 C ATOM 0 H PHE A 86 0.648 18.787 -2.221 1.00 0.00 H new ATOM 0 HA PHE A 86 1.535 16.938 -0.152 1.00 0.00 H new ATOM 0 HB2 PHE A 86 0.810 17.045 -3.049 1.00 0.00 H new ATOM 0 HB3 PHE A 86 2.121 15.937 -2.697 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -1.297 16.797 -1.488 1.00 0.00 H new ATOM 0 HD2 PHE A 86 1.602 13.776 -2.056 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -2.952 15.070 -0.756 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -0.051 12.051 -1.327 1.00 0.00 H new ATOM 0 HZ PHE A 86 -2.308 12.718 -0.684 1.00 0.00 H new ATOM 1392 N GLU A 87 3.608 18.586 -2.029 1.00 0.00 N ATOM 1393 CA GLU A 87 5.011 18.899 -2.242 1.00 0.00 C ATOM 1394 C GLU A 87 5.791 18.756 -0.934 1.00 0.00 C ATOM 1395 O GLU A 87 6.910 18.244 -0.927 1.00 0.00 O ATOM 1396 CB GLU A 87 5.177 20.302 -2.829 1.00 0.00 C ATOM 1397 CG GLU A 87 5.817 20.243 -4.218 1.00 0.00 C ATOM 1398 CD GLU A 87 7.050 19.337 -4.216 1.00 0.00 C ATOM 1399 OE1 GLU A 87 8.114 19.829 -3.782 1.00 0.00 O ATOM 1400 OE2 GLU A 87 6.900 18.174 -4.647 1.00 0.00 O ATOM 0 H GLU A 87 2.955 19.207 -2.507 1.00 0.00 H new ATOM 0 HA GLU A 87 5.416 18.189 -2.963 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.205 20.791 -2.893 1.00 0.00 H new ATOM 0 HB3 GLU A 87 5.795 20.907 -2.165 1.00 0.00 H new ATOM 0 HG2 GLU A 87 5.091 19.873 -4.942 1.00 0.00 H new ATOM 0 HG3 GLU A 87 6.100 21.247 -4.535 1.00 0.00 H new ATOM 1407 N THR A 88 5.171 19.218 0.141 1.00 0.00 N ATOM 1408 CA THR A 88 5.794 19.149 1.452 1.00 0.00 C ATOM 1409 C THR A 88 6.091 17.695 1.825 1.00 0.00 C ATOM 1410 O THR A 88 7.172 17.386 2.323 1.00 0.00 O ATOM 1411 CB THR A 88 4.875 19.857 2.450 1.00 0.00 C ATOM 1412 OG1 THR A 88 5.050 21.241 2.161 1.00 0.00 O ATOM 1413 CG2 THR A 88 5.359 19.714 3.895 1.00 0.00 C ATOM 0 H THR A 88 4.243 19.642 0.131 1.00 0.00 H new ATOM 0 HA THR A 88 6.758 19.657 1.459 1.00 0.00 H new ATOM 0 HB THR A 88 3.866 19.454 2.364 1.00 0.00 H new ATOM 0 HG1 THR A 88 4.488 21.774 2.762 1.00 0.00 H new ATOM 0 HG21 THR A 88 4.672 20.234 4.562 1.00 0.00 H new ATOM 0 HG22 THR A 88 5.396 18.658 4.164 1.00 0.00 H new ATOM 0 HG23 THR A 88 6.355 20.148 3.990 1.00 0.00 H new ATOM 1421 N ALA A 89 5.111 16.840 1.570 1.00 0.00 N ATOM 1422 CA ALA A 89 5.253 15.426 1.873 1.00 0.00 C ATOM 1423 C ALA A 89 6.245 14.797 0.892 1.00 0.00 C ATOM 1424 O ALA A 89 7.048 13.948 1.276 1.00 0.00 O ATOM 1425 CB ALA A 89 3.880 14.753 1.826 1.00 0.00 C ATOM 0 H ALA A 89 4.215 17.100 1.157 1.00 0.00 H new ATOM 0 HA ALA A 89 5.649 15.286 2.879 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.987 13.692 2.053 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.222 15.217 2.561 1.00 0.00 H new ATOM 0 HB3 ALA A 89 3.452 14.869 0.830 1.00 0.00 H new ATOM 1431 N ILE A 90 6.156 15.237 -0.354 1.00 0.00 N ATOM 1432 CA ILE A 90 7.035 14.727 -1.393 1.00 0.00 C ATOM 1433 C ILE A 90 8.489 15.001 -1.003 1.00 0.00 C ATOM 1434 O ILE A 90 9.401 14.331 -1.486 1.00 0.00 O ATOM 1435 CB ILE A 90 6.645 15.302 -2.756 1.00 0.00 C ATOM 1436 CG1 ILE A 90 5.192 14.967 -3.097 1.00 0.00 C ATOM 1437 CG2 ILE A 90 7.612 14.836 -3.845 1.00 0.00 C ATOM 1438 CD1 ILE A 90 4.714 15.767 -4.310 1.00 0.00 C ATOM 0 H ILE A 90 5.488 15.941 -0.668 1.00 0.00 H new ATOM 0 HA ILE A 90 6.927 13.646 -1.487 1.00 0.00 H new ATOM 0 HB ILE A 90 6.721 16.388 -2.703 1.00 0.00 H new ATOM 0 HG12 ILE A 90 5.100 13.900 -3.301 1.00 0.00 H new ATOM 0 HG13 ILE A 90 4.554 15.184 -2.240 1.00 0.00 H new ATOM 0 HG21 ILE A 90 7.312 15.259 -4.804 1.00 0.00 H new ATOM 0 HG22 ILE A 90 8.621 15.168 -3.602 1.00 0.00 H new ATOM 0 HG23 ILE A 90 7.593 13.748 -3.907 1.00 0.00 H new ATOM 0 HD11 ILE A 90 3.678 15.509 -4.530 1.00 0.00 H new ATOM 0 HD12 ILE A 90 4.785 16.833 -4.094 1.00 0.00 H new ATOM 0 HD13 ILE A 90 5.338 15.529 -5.171 1.00 0.00 H new ATOM 1450 N LYS A 91 8.660 15.986 -0.134 1.00 0.00 N ATOM 1451 CA LYS A 91 9.988 16.356 0.326 1.00 0.00 C ATOM 1452 C LYS A 91 10.319 15.573 1.599 1.00 0.00 C ATOM 1453 O LYS A 91 11.286 14.814 1.631 1.00 0.00 O ATOM 1454 CB LYS A 91 10.093 17.873 0.493 1.00 0.00 C ATOM 1455 CG LYS A 91 11.075 18.235 1.609 1.00 0.00 C ATOM 1456 CD LYS A 91 11.603 19.660 1.434 1.00 0.00 C ATOM 1457 CE LYS A 91 12.762 19.937 2.393 1.00 0.00 C ATOM 1458 NZ LYS A 91 13.095 21.380 2.402 1.00 0.00 N ATOM 0 H LYS A 91 7.901 16.539 0.264 1.00 0.00 H new ATOM 0 HA LYS A 91 10.738 16.087 -0.418 1.00 0.00 H new ATOM 0 HB2 LYS A 91 10.420 18.324 -0.444 1.00 0.00 H new ATOM 0 HB3 LYS A 91 9.110 18.286 0.720 1.00 0.00 H new ATOM 0 HG2 LYS A 91 10.582 18.142 2.577 1.00 0.00 H new ATOM 0 HG3 LYS A 91 11.908 17.532 1.607 1.00 0.00 H new ATOM 0 HD2 LYS A 91 11.935 19.805 0.406 1.00 0.00 H new ATOM 0 HD3 LYS A 91 10.799 20.374 1.613 1.00 0.00 H new ATOM 0 HE2 LYS A 91 12.495 19.613 3.399 1.00 0.00 H new ATOM 0 HE3 LYS A 91 13.636 19.358 2.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 13.884 21.550 3.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 13.370 21.679 1.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 12.265 21.926 2.710 1.00 0.00 H new