USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 665 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 24 ASN : amide:sc= -0.634 K(o=-0.63,f=-1.5) USER MOD Set 1.2: A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= -1.27 (180deg=-1.27) USER MOD Single : A 26 GLN : amide:sc= -0.704 K(o=-0.7,f=-11!) USER MOD Single : A 28 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0702) USER MOD Single : A 29 LYS NZ :NH3+ -172:sc= -0.0238 (180deg=-0.0759) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.322 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 21:sc= 0.226 USER MOD Single : A 52 TYR OH : rot -80:sc= -1.11 USER MOD Single : A 54 LYS NZ :NH3+ -144:sc= 0.868 (180deg=-0.909) USER MOD Single : A 55 ASN :FLIP amide:sc= -3.08! F(o=-4.2,f=-3.1!) USER MOD Single : A 64 GLN : amide:sc= -1.24 K(o=-1.2,f=-2) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN :FLIP amide:sc= -0.0881 F(o=-0.85,f=-0.088) USER MOD Single : A 85 LYS NZ :NH3+ 149:sc= -0.155 (180deg=-0.837) USER MOD Single : A 86 SER OG : rot 180:sc= -0.729 USER MOD Single : A 87 GLN : amide:sc= -4.06 K(o=-4.1,f=-7.2!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 107:sc= 0.282 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl -169:sc= -1.99 (180deg=-2.01) USER MOD Single : A 102 THR OG1 : rot 180:sc= -1.07 USER MOD ----------------------------------------------------------------- ATOM 70 N LYS A 21 -8.084 -4.874 -11.392 1.00 0.00 N ATOM 71 CA LYS A 21 -7.205 -4.173 -12.321 1.00 0.00 C ATOM 72 C LYS A 21 -6.171 -3.343 -11.567 1.00 0.00 C ATOM 73 O LYS A 21 -6.424 -2.878 -10.456 1.00 0.00 O ATOM 74 CB LYS A 21 -8.017 -3.273 -13.261 1.00 0.00 C ATOM 75 CG LYS A 21 -9.297 -2.728 -12.647 1.00 0.00 C ATOM 76 CD LYS A 21 -9.012 -1.578 -11.694 1.00 0.00 C ATOM 77 CE LYS A 21 -10.298 -0.978 -11.146 1.00 0.00 C ATOM 78 NZ LYS A 21 -10.200 0.501 -10.999 1.00 0.00 N ATOM 0 HA LYS A 21 -6.683 -4.921 -12.917 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -7.393 -2.437 -13.575 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.269 -3.837 -14.159 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -9.966 -2.389 -13.438 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -9.814 -3.525 -12.113 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -8.394 -1.932 -10.869 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.441 -0.807 -12.212 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -11.126 -1.223 -11.811 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.524 -1.425 -10.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -11.096 0.873 -10.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -9.426 0.734 -10.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -10.009 0.930 -11.927 1.00 0.00 H new ATOM 92 N ARG A 22 -5.002 -3.167 -12.174 1.00 0.00 N ATOM 93 CA ARG A 22 -3.927 -2.399 -11.555 1.00 0.00 C ATOM 94 C ARG A 22 -3.985 -0.932 -11.969 1.00 0.00 C ATOM 95 O ARG A 22 -4.376 -0.608 -13.091 1.00 0.00 O ATOM 96 CB ARG A 22 -2.568 -2.991 -11.933 1.00 0.00 C ATOM 97 CG ARG A 22 -2.281 -2.950 -13.426 1.00 0.00 C ATOM 98 CD ARG A 22 -0.869 -2.465 -13.710 1.00 0.00 C ATOM 99 NE ARG A 22 -0.736 -1.937 -15.067 1.00 0.00 N ATOM 100 CZ ARG A 22 0.431 -1.780 -15.690 1.00 0.00 C ATOM 101 NH1 ARG A 22 1.565 -2.110 -15.083 1.00 0.00 N ATOM 102 NH2 ARG A 22 0.463 -1.291 -16.921 1.00 0.00 N ATOM 0 H ARG A 22 -4.775 -3.545 -13.094 1.00 0.00 H new ATOM 0 HA ARG A 22 -4.057 -2.454 -10.474 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -1.784 -2.447 -11.406 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -2.523 -4.025 -11.591 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -2.417 -3.944 -13.851 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -2.998 -2.292 -13.917 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -0.600 -1.691 -12.991 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -0.168 -3.288 -13.570 1.00 0.00 H new ATOM 0 HE ARG A 22 -1.586 -1.674 -15.566 1.00 0.00 H new ATOM 0 HH11 ARG A 22 1.545 -2.486 -14.135 1.00 0.00 H new ATOM 0 HH12 ARG A 22 2.456 -1.988 -15.565 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -0.405 -1.035 -17.391 1.00 0.00 H new ATOM 0 HH22 ARG A 22 1.356 -1.170 -17.399 1.00 0.00 H new ATOM 116 N LEU A 23 -3.596 -0.049 -11.054 1.00 0.00 N ATOM 117 CA LEU A 23 -3.605 1.385 -11.324 1.00 0.00 C ATOM 118 C LEU A 23 -2.310 2.043 -10.856 1.00 0.00 C ATOM 119 O LEU A 23 -1.630 1.538 -9.962 1.00 0.00 O ATOM 120 CB LEU A 23 -4.796 2.062 -10.638 1.00 0.00 C ATOM 121 CG LEU A 23 -5.989 1.152 -10.349 1.00 0.00 C ATOM 122 CD1 LEU A 23 -6.877 1.759 -9.272 1.00 0.00 C ATOM 123 CD2 LEU A 23 -6.782 0.897 -11.622 1.00 0.00 C ATOM 0 H LEU A 23 -3.271 -0.301 -10.120 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.694 1.511 -12.403 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.454 2.495 -9.698 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.134 2.888 -11.265 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.615 0.197 -9.981 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -7.721 1.096 -9.080 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.301 1.888 -8.356 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -7.246 2.728 -9.608 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -7.628 0.247 -11.399 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -7.146 1.844 -12.020 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.140 0.417 -12.360 1.00 0.00 H new ATOM 135 N ASN A 24 -1.987 3.182 -11.459 1.00 0.00 N ATOM 136 CA ASN A 24 -0.785 3.928 -11.102 1.00 0.00 C ATOM 137 C ASN A 24 -1.166 5.270 -10.484 1.00 0.00 C ATOM 138 O ASN A 24 -1.851 6.078 -11.113 1.00 0.00 O ATOM 139 CB ASN A 24 0.095 4.145 -12.335 1.00 0.00 C ATOM 140 CG ASN A 24 1.524 3.690 -12.113 1.00 0.00 C ATOM 141 OD1 ASN A 24 2.086 2.951 -12.922 1.00 0.00 O ATOM 142 ND2 ASN A 24 2.120 4.130 -11.011 1.00 0.00 N ATOM 0 H ASN A 24 -2.543 3.610 -12.200 1.00 0.00 H new ATOM 0 HA ASN A 24 -0.220 3.350 -10.371 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -0.329 3.603 -13.180 1.00 0.00 H new ATOM 0 HB3 ASN A 24 0.090 5.202 -12.600 1.00 0.00 H new ATOM 0 HD21 ASN A 24 3.081 3.857 -10.807 1.00 0.00 H new ATOM 0 HD22 ASN A 24 1.616 4.741 -10.368 1.00 0.00 H new ATOM 149 N ILE A 25 -0.734 5.501 -9.248 1.00 0.00 N ATOM 150 CA ILE A 25 -1.051 6.744 -8.557 1.00 0.00 C ATOM 151 C ILE A 25 0.193 7.391 -7.959 1.00 0.00 C ATOM 152 O ILE A 25 0.862 6.807 -7.109 1.00 0.00 O ATOM 153 CB ILE A 25 -2.081 6.507 -7.432 1.00 0.00 C ATOM 154 CG1 ILE A 25 -3.319 5.792 -7.986 1.00 0.00 C ATOM 155 CG2 ILE A 25 -2.473 7.827 -6.782 1.00 0.00 C ATOM 156 CD1 ILE A 25 -3.601 4.466 -7.314 1.00 0.00 C ATOM 0 H ILE A 25 -0.167 4.847 -8.708 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.474 7.416 -9.304 1.00 0.00 H new ATOM 0 HB ILE A 25 -1.625 5.872 -6.672 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.187 6.441 -7.869 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.186 5.627 -9.055 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -3.200 7.641 -5.991 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -1.588 8.301 -6.358 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.912 8.485 -7.531 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -4.490 4.016 -7.756 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.750 3.799 -7.453 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -3.766 4.626 -6.249 1.00 0.00 H new ATOM 168 N GLN A 26 0.484 8.612 -8.398 1.00 0.00 N ATOM 169 CA GLN A 26 1.635 9.353 -7.895 1.00 0.00 C ATOM 170 C GLN A 26 1.178 10.456 -6.950 1.00 0.00 C ATOM 171 O GLN A 26 0.366 11.304 -7.317 1.00 0.00 O ATOM 172 CB GLN A 26 2.454 9.950 -9.047 1.00 0.00 C ATOM 173 CG GLN A 26 1.645 10.231 -10.303 1.00 0.00 C ATOM 174 CD GLN A 26 0.551 11.256 -10.074 1.00 0.00 C ATOM 175 OE1 GLN A 26 -0.611 10.906 -9.866 1.00 0.00 O ATOM 176 NE2 GLN A 26 0.917 12.531 -10.114 1.00 0.00 N ATOM 0 H GLN A 26 -0.062 9.109 -9.102 1.00 0.00 H new ATOM 0 HA GLN A 26 2.273 8.658 -7.349 1.00 0.00 H new ATOM 0 HB2 GLN A 26 2.914 10.879 -8.709 1.00 0.00 H new ATOM 0 HB3 GLN A 26 3.265 9.265 -9.295 1.00 0.00 H new ATOM 0 HG2 GLN A 26 2.312 10.586 -11.089 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.199 9.302 -10.659 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.891 12.777 -10.289 1.00 0.00 H new ATOM 0 HE22 GLN A 26 0.224 13.265 -9.969 1.00 0.00 H new ATOM 185 N LEU A 27 1.691 10.427 -5.727 1.00 0.00 N ATOM 186 CA LEU A 27 1.319 11.415 -4.723 1.00 0.00 C ATOM 187 C LEU A 27 2.483 12.336 -4.382 1.00 0.00 C ATOM 188 O LEU A 27 3.612 11.886 -4.187 1.00 0.00 O ATOM 189 CB LEU A 27 0.825 10.714 -3.459 1.00 0.00 C ATOM 190 CG LEU A 27 -0.225 9.631 -3.701 1.00 0.00 C ATOM 191 CD1 LEU A 27 -0.345 8.719 -2.490 1.00 0.00 C ATOM 192 CD2 LEU A 27 -1.568 10.260 -4.034 1.00 0.00 C ATOM 0 H LEU A 27 2.365 9.731 -5.407 1.00 0.00 H new ATOM 0 HA LEU A 27 0.519 12.027 -5.139 1.00 0.00 H new ATOM 0 HB2 LEU A 27 1.679 10.266 -2.950 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.408 11.462 -2.784 1.00 0.00 H new ATOM 0 HG LEU A 27 0.093 9.027 -4.551 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.098 7.955 -2.683 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.616 8.241 -2.298 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.639 9.306 -1.620 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.305 9.475 -4.204 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.891 10.888 -3.204 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.472 10.868 -4.933 1.00 0.00 H new ATOM 204 N LYS A 28 2.192 13.628 -4.302 1.00 0.00 N ATOM 205 CA LYS A 28 3.204 14.623 -3.977 1.00 0.00 C ATOM 206 C LYS A 28 3.398 14.718 -2.468 1.00 0.00 C ATOM 207 O LYS A 28 2.520 15.195 -1.748 1.00 0.00 O ATOM 208 CB LYS A 28 2.804 15.989 -4.539 1.00 0.00 C ATOM 209 CG LYS A 28 3.940 16.998 -4.550 1.00 0.00 C ATOM 210 CD LYS A 28 5.148 16.469 -5.305 1.00 0.00 C ATOM 211 CE LYS A 28 6.207 17.542 -5.487 1.00 0.00 C ATOM 212 NZ LYS A 28 5.799 18.560 -6.493 1.00 0.00 N ATOM 0 H LYS A 28 1.260 14.012 -4.458 1.00 0.00 H new ATOM 0 HA LYS A 28 4.146 14.315 -4.431 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.434 15.860 -5.556 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.980 16.389 -3.948 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.600 17.926 -5.010 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.226 17.237 -3.526 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.574 15.624 -4.764 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.834 16.098 -6.280 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.396 18.031 -4.531 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.143 17.079 -5.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.609 19.175 -6.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.481 18.083 -7.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.022 19.135 -6.109 1.00 0.00 H new ATOM 226 N LYS A 29 4.553 14.260 -1.992 1.00 0.00 N ATOM 227 CA LYS A 29 4.862 14.291 -0.565 1.00 0.00 C ATOM 228 C LYS A 29 4.600 15.675 0.024 1.00 0.00 C ATOM 229 O LYS A 29 4.966 16.691 -0.567 1.00 0.00 O ATOM 230 CB LYS A 29 6.321 13.891 -0.336 1.00 0.00 C ATOM 231 CG LYS A 29 6.500 12.424 0.012 1.00 0.00 C ATOM 232 CD LYS A 29 6.789 12.234 1.493 1.00 0.00 C ATOM 233 CE LYS A 29 5.658 12.772 2.355 1.00 0.00 C ATOM 234 NZ LYS A 29 5.985 12.699 3.807 1.00 0.00 N ATOM 0 H LYS A 29 5.291 13.863 -2.574 1.00 0.00 H new ATOM 0 HA LYS A 29 4.210 13.578 -0.060 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.896 14.116 -1.234 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.734 14.500 0.468 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.599 11.872 -0.258 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.318 12.007 -0.576 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.936 11.175 1.703 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.718 12.742 1.752 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.452 13.807 2.080 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.749 12.203 2.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.143 12.946 4.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.288 11.733 4.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.752 13.366 4.024 1.00 0.00 H new ATOM 284 N GLY A 33 3.115 12.651 5.498 1.00 0.00 N ATOM 285 CA GLY A 33 3.041 11.399 4.764 1.00 0.00 C ATOM 286 C GLY A 33 2.151 11.483 3.538 1.00 0.00 C ATOM 287 O GLY A 33 2.131 12.499 2.845 1.00 0.00 O ATOM 0 HA2 GLY A 33 4.045 11.103 4.458 1.00 0.00 H new ATOM 0 HA3 GLY A 33 2.666 10.618 5.425 1.00 0.00 H new ATOM 291 N LEU A 34 1.415 10.407 3.271 1.00 0.00 N ATOM 292 CA LEU A 34 0.519 10.360 2.120 1.00 0.00 C ATOM 293 C LEU A 34 -0.929 10.123 2.549 1.00 0.00 C ATOM 294 O LEU A 34 -1.848 10.227 1.736 1.00 0.00 O ATOM 295 CB LEU A 34 0.967 9.266 1.151 1.00 0.00 C ATOM 296 CG LEU A 34 2.374 9.451 0.578 1.00 0.00 C ATOM 297 CD1 LEU A 34 3.427 9.093 1.618 1.00 0.00 C ATOM 298 CD2 LEU A 34 2.552 8.614 -0.680 1.00 0.00 C ATOM 0 H LEU A 34 1.422 9.557 3.835 1.00 0.00 H new ATOM 0 HA LEU A 34 0.565 11.327 1.618 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.923 8.305 1.664 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.257 9.219 0.325 1.00 0.00 H new ATOM 0 HG LEU A 34 2.502 10.500 0.311 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.421 9.231 1.192 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.313 9.739 2.489 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.302 8.053 1.919 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.558 8.758 -1.074 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.403 7.561 -0.441 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.822 8.922 -1.428 1.00 0.00 H new ATOM 310 N GLY A 35 -1.131 9.812 3.828 1.00 0.00 N ATOM 311 CA GLY A 35 -2.473 9.578 4.332 1.00 0.00 C ATOM 312 C GLY A 35 -3.004 8.204 3.983 1.00 0.00 C ATOM 313 O GLY A 35 -4.192 8.048 3.699 1.00 0.00 O ATOM 0 H GLY A 35 -0.390 9.718 4.523 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.474 9.698 5.415 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.145 10.335 3.927 1.00 0.00 H new ATOM 317 N PHE A 36 -2.133 7.203 4.005 1.00 0.00 N ATOM 318 CA PHE A 36 -2.543 5.841 3.687 1.00 0.00 C ATOM 319 C PHE A 36 -1.768 4.820 4.515 1.00 0.00 C ATOM 320 O PHE A 36 -0.540 4.860 4.582 1.00 0.00 O ATOM 321 CB PHE A 36 -2.365 5.564 2.189 1.00 0.00 C ATOM 322 CG PHE A 36 -0.955 5.211 1.790 1.00 0.00 C ATOM 323 CD1 PHE A 36 0.104 6.037 2.131 1.00 0.00 C ATOM 324 CD2 PHE A 36 -0.697 4.054 1.074 1.00 0.00 C ATOM 325 CE1 PHE A 36 1.397 5.714 1.765 1.00 0.00 C ATOM 326 CE2 PHE A 36 0.595 3.726 0.705 1.00 0.00 C ATOM 327 CZ PHE A 36 1.642 4.558 1.051 1.00 0.00 C ATOM 0 H PHE A 36 -1.145 7.307 4.238 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.599 5.742 3.939 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.028 4.748 1.900 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.680 6.444 1.628 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.083 6.943 2.689 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.513 3.401 0.801 1.00 0.00 H new ATOM 0 HE1 PHE A 36 2.215 6.365 2.037 1.00 0.00 H new ATOM 0 HE2 PHE A 36 0.785 2.821 0.147 1.00 0.00 H new ATOM 0 HZ PHE A 36 2.652 4.304 0.763 1.00 0.00 H new ATOM 337 N SER A 37 -2.499 3.897 5.132 1.00 0.00 N ATOM 338 CA SER A 37 -1.890 2.852 5.944 1.00 0.00 C ATOM 339 C SER A 37 -1.955 1.519 5.208 1.00 0.00 C ATOM 340 O SER A 37 -2.987 1.170 4.636 1.00 0.00 O ATOM 341 CB SER A 37 -2.599 2.745 7.297 1.00 0.00 C ATOM 342 OG SER A 37 -1.814 3.314 8.330 1.00 0.00 O ATOM 0 H SER A 37 -3.517 3.853 5.084 1.00 0.00 H new ATOM 0 HA SER A 37 -0.846 3.109 6.121 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.563 3.252 7.247 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.801 1.698 7.524 1.00 0.00 H new ATOM 0 HG SER A 37 -2.289 3.235 9.183 1.00 0.00 H new ATOM 348 N ILE A 38 -0.848 0.786 5.206 1.00 0.00 N ATOM 349 CA ILE A 38 -0.797 -0.495 4.514 1.00 0.00 C ATOM 350 C ILE A 38 -0.671 -1.667 5.472 1.00 0.00 C ATOM 351 O ILE A 38 0.072 -1.617 6.452 1.00 0.00 O ATOM 352 CB ILE A 38 0.376 -0.553 3.525 1.00 0.00 C ATOM 353 CG1 ILE A 38 1.673 -0.146 4.223 1.00 0.00 C ATOM 354 CG2 ILE A 38 0.101 0.340 2.327 1.00 0.00 C ATOM 355 CD1 ILE A 38 2.906 -0.326 3.368 1.00 0.00 C ATOM 0 H ILE A 38 0.019 1.054 5.672 1.00 0.00 H new ATOM 0 HA ILE A 38 -1.742 -0.576 3.977 1.00 0.00 H new ATOM 0 HB ILE A 38 0.486 -1.576 3.167 1.00 0.00 H new ATOM 0 HG12 ILE A 38 1.600 0.899 4.525 1.00 0.00 H new ATOM 0 HG13 ILE A 38 1.785 -0.734 5.134 1.00 0.00 H new ATOM 0 HG21 ILE A 38 0.941 0.289 1.634 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.805 0.004 1.823 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.030 1.369 2.663 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.787 -0.017 3.930 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.004 -1.375 3.088 1.00 0.00 H new ATOM 0 HD13 ILE A 38 2.817 0.283 2.469 1.00 0.00 H new ATOM 367 N THR A 39 -1.392 -2.732 5.156 1.00 0.00 N ATOM 368 CA THR A 39 -1.363 -3.951 5.956 1.00 0.00 C ATOM 369 C THR A 39 -0.506 -5.009 5.273 1.00 0.00 C ATOM 370 O THR A 39 -0.199 -4.900 4.085 1.00 0.00 O ATOM 371 CB THR A 39 -2.776 -4.496 6.182 1.00 0.00 C ATOM 372 OG1 THR A 39 -2.731 -5.860 6.570 1.00 0.00 O ATOM 373 CG2 THR A 39 -3.666 -4.397 4.960 1.00 0.00 C ATOM 0 H THR A 39 -2.009 -2.778 4.345 1.00 0.00 H new ATOM 0 HA THR A 39 -0.929 -3.706 6.925 1.00 0.00 H new ATOM 0 HB THR A 39 -3.200 -3.872 6.969 1.00 0.00 H new ATOM 0 HG1 THR A 39 -3.643 -6.190 6.711 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.651 -4.802 5.193 1.00 0.00 H new ATOM 0 HG22 THR A 39 -3.763 -3.352 4.665 1.00 0.00 H new ATOM 0 HG23 THR A 39 -3.225 -4.966 4.142 1.00 0.00 H new ATOM 381 N SER A 40 -0.123 -6.032 6.027 1.00 0.00 N ATOM 382 CA SER A 40 0.702 -7.107 5.489 1.00 0.00 C ATOM 383 C SER A 40 -0.004 -8.454 5.602 1.00 0.00 C ATOM 384 O SER A 40 -0.509 -8.814 6.664 1.00 0.00 O ATOM 385 CB SER A 40 2.044 -7.159 6.219 1.00 0.00 C ATOM 386 OG SER A 40 2.706 -8.391 5.986 1.00 0.00 O ATOM 0 H SER A 40 -0.370 -6.140 7.011 1.00 0.00 H new ATOM 0 HA SER A 40 0.875 -6.901 4.433 1.00 0.00 H new ATOM 0 HB2 SER A 40 2.675 -6.335 5.885 1.00 0.00 H new ATOM 0 HB3 SER A 40 1.885 -7.025 7.289 1.00 0.00 H new ATOM 0 HG SER A 40 3.562 -8.398 6.463 1.00 0.00 H new ATOM 392 N ARG A 41 -0.029 -9.194 4.497 1.00 0.00 N ATOM 393 CA ARG A 41 -0.668 -10.503 4.467 1.00 0.00 C ATOM 394 C ARG A 41 -0.021 -11.445 5.478 1.00 0.00 C ATOM 395 O ARG A 41 -0.666 -12.359 5.991 1.00 0.00 O ATOM 396 CB ARG A 41 -0.577 -11.103 3.063 1.00 0.00 C ATOM 397 CG ARG A 41 -1.857 -11.782 2.604 1.00 0.00 C ATOM 398 CD ARG A 41 -2.179 -13.000 3.456 1.00 0.00 C ATOM 399 NE ARG A 41 -3.150 -13.879 2.808 1.00 0.00 N ATOM 400 CZ ARG A 41 -3.456 -15.097 3.248 1.00 0.00 C ATOM 401 NH1 ARG A 41 -2.869 -15.586 4.333 1.00 0.00 N ATOM 402 NH2 ARG A 41 -4.350 -15.830 2.598 1.00 0.00 N ATOM 0 H ARG A 41 0.387 -8.908 3.611 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.717 -10.376 4.734 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -0.321 -10.314 2.356 1.00 0.00 H new ATOM 0 HB3 ARG A 41 0.237 -11.828 3.039 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -2.684 -11.073 2.653 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -1.757 -12.083 1.561 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -1.263 -13.556 3.655 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -2.571 -12.675 4.420 1.00 0.00 H new ATOM 0 HE ARG A 41 -3.621 -13.539 1.969 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -2.179 -15.027 4.835 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -3.108 -16.520 4.665 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -4.802 -15.460 1.762 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -4.585 -16.764 2.934 1.00 0.00 H new ATOM 491 N SER A 48 8.264 -13.300 1.212 1.00 0.00 N ATOM 492 CA SER A 48 7.446 -12.590 0.235 1.00 0.00 C ATOM 493 C SER A 48 5.987 -12.542 0.679 1.00 0.00 C ATOM 494 O SER A 48 5.291 -13.557 0.672 1.00 0.00 O ATOM 495 CB SER A 48 7.551 -13.260 -1.135 1.00 0.00 C ATOM 496 OG SER A 48 8.902 -13.526 -1.472 1.00 0.00 O ATOM 0 HA SER A 48 7.819 -11.569 0.161 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.984 -14.191 -1.132 1.00 0.00 H new ATOM 0 HB3 SER A 48 7.104 -12.617 -1.893 1.00 0.00 H new ATOM 0 HG SER A 48 9.445 -13.544 -0.656 1.00 0.00 H new ATOM 502 N ALA A 49 5.530 -11.354 1.061 1.00 0.00 N ATOM 503 CA ALA A 49 4.155 -11.169 1.504 1.00 0.00 C ATOM 504 C ALA A 49 3.535 -9.934 0.851 1.00 0.00 C ATOM 505 O ALA A 49 4.118 -8.849 0.887 1.00 0.00 O ATOM 506 CB ALA A 49 4.100 -11.060 3.021 1.00 0.00 C ATOM 0 H ALA A 49 6.094 -10.504 1.072 1.00 0.00 H new ATOM 0 HA ALA A 49 3.574 -12.039 1.197 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.066 -10.922 3.339 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.498 -11.972 3.466 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.696 -10.208 3.346 1.00 0.00 H new ATOM 512 N PRO A 50 2.347 -10.080 0.236 1.00 0.00 N ATOM 513 CA PRO A 50 1.665 -8.964 -0.432 1.00 0.00 C ATOM 514 C PRO A 50 1.186 -7.895 0.543 1.00 0.00 C ATOM 515 O PRO A 50 0.598 -8.201 1.582 1.00 0.00 O ATOM 516 CB PRO A 50 0.472 -9.632 -1.123 1.00 0.00 C ATOM 517 CG PRO A 50 0.235 -10.889 -0.361 1.00 0.00 C ATOM 518 CD PRO A 50 1.583 -11.336 0.133 1.00 0.00 C ATOM 0 HA PRO A 50 2.332 -8.439 -1.115 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -0.407 -8.987 -1.103 1.00 0.00 H new ATOM 0 HB3 PRO A 50 0.690 -9.841 -2.170 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -0.448 -10.718 0.471 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -0.220 -11.650 -0.995 1.00 0.00 H new ATOM 0 HD2 PRO A 50 1.510 -11.841 1.096 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.052 -12.035 -0.559 1.00 0.00 H new ATOM 526 N ILE A 51 1.438 -6.636 0.195 1.00 0.00 N ATOM 527 CA ILE A 51 1.036 -5.507 1.026 1.00 0.00 C ATOM 528 C ILE A 51 -0.067 -4.704 0.341 1.00 0.00 C ATOM 529 O ILE A 51 -0.007 -4.455 -0.863 1.00 0.00 O ATOM 530 CB ILE A 51 2.230 -4.575 1.315 1.00 0.00 C ATOM 531 CG1 ILE A 51 3.395 -5.375 1.920 1.00 0.00 C ATOM 532 CG2 ILE A 51 1.810 -3.427 2.225 1.00 0.00 C ATOM 533 CD1 ILE A 51 3.529 -5.247 3.426 1.00 0.00 C ATOM 0 H ILE A 51 1.922 -6.372 -0.663 1.00 0.00 H new ATOM 0 HA ILE A 51 0.665 -5.911 1.968 1.00 0.00 H new ATOM 0 HB ILE A 51 2.572 -4.141 0.376 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.267 -6.427 1.667 1.00 0.00 H new ATOM 0 HG13 ILE A 51 4.325 -5.047 1.456 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.667 -2.782 2.416 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.022 -2.849 1.742 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.440 -3.828 3.169 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.375 -5.843 3.768 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.691 -4.202 3.689 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.617 -5.604 3.904 1.00 0.00 H new ATOM 545 N TYR A 52 -1.074 -4.297 1.111 1.00 0.00 N ATOM 546 CA TYR A 52 -2.181 -3.519 0.557 1.00 0.00 C ATOM 547 C TYR A 52 -2.695 -2.493 1.562 1.00 0.00 C ATOM 548 O TYR A 52 -2.722 -2.742 2.764 1.00 0.00 O ATOM 549 CB TYR A 52 -3.328 -4.435 0.116 1.00 0.00 C ATOM 550 CG TYR A 52 -3.448 -5.709 0.919 1.00 0.00 C ATOM 551 CD1 TYR A 52 -2.738 -6.847 0.560 1.00 0.00 C ATOM 552 CD2 TYR A 52 -4.276 -5.776 2.031 1.00 0.00 C ATOM 553 CE1 TYR A 52 -2.849 -8.016 1.285 1.00 0.00 C ATOM 554 CE2 TYR A 52 -4.393 -6.941 2.764 1.00 0.00 C ATOM 555 CZ TYR A 52 -3.677 -8.058 2.387 1.00 0.00 C ATOM 556 OH TYR A 52 -3.793 -9.221 3.114 1.00 0.00 O ATOM 0 H TYR A 52 -1.147 -4.490 2.110 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.800 -2.988 -0.315 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -4.266 -3.884 0.188 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -3.189 -4.692 -0.934 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -2.088 -6.817 -0.302 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -4.838 -4.903 2.328 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -2.291 -8.893 0.991 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -5.041 -6.977 3.627 1.00 0.00 H new ATOM 0 HH TYR A 52 -4.410 -9.831 2.658 1.00 0.00 H new ATOM 566 N VAL A 53 -3.105 -1.334 1.050 1.00 0.00 N ATOM 567 CA VAL A 53 -3.621 -0.258 1.889 1.00 0.00 C ATOM 568 C VAL A 53 -4.762 -0.743 2.777 1.00 0.00 C ATOM 569 O VAL A 53 -5.881 -0.954 2.309 1.00 0.00 O ATOM 570 CB VAL A 53 -4.122 0.923 1.036 1.00 0.00 C ATOM 571 CG1 VAL A 53 -4.444 2.122 1.916 1.00 0.00 C ATOM 572 CG2 VAL A 53 -3.093 1.294 -0.022 1.00 0.00 C ATOM 0 H VAL A 53 -3.089 -1.117 0.053 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.794 0.074 2.517 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.037 0.616 0.530 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.796 2.945 1.295 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.220 1.850 2.632 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -3.547 2.431 2.453 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.465 2.130 -0.614 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.160 1.580 0.463 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.916 0.438 -0.674 1.00 0.00 H new ATOM 582 N LYS A 54 -4.472 -0.913 4.064 1.00 0.00 N ATOM 583 CA LYS A 54 -5.474 -1.363 5.020 1.00 0.00 C ATOM 584 C LYS A 54 -6.579 -0.328 5.163 1.00 0.00 C ATOM 585 O LYS A 54 -7.735 -0.668 5.420 1.00 0.00 O ATOM 586 CB LYS A 54 -4.833 -1.626 6.382 1.00 0.00 C ATOM 587 CG LYS A 54 -4.179 -0.400 6.995 1.00 0.00 C ATOM 588 CD LYS A 54 -3.843 -0.625 8.460 1.00 0.00 C ATOM 589 CE LYS A 54 -2.570 -1.443 8.621 1.00 0.00 C ATOM 590 NZ LYS A 54 -1.348 -0.608 8.449 1.00 0.00 N ATOM 0 H LYS A 54 -3.550 -0.745 4.467 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.907 -2.291 4.647 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -5.594 -2.001 7.066 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.085 -2.412 6.276 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.270 -0.157 6.445 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -4.847 0.456 6.901 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -3.724 0.337 8.959 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -4.671 -1.138 8.950 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.558 -1.905 9.608 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.563 -2.252 7.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -0.611 -1.165 7.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -1.577 0.228 7.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -1.002 -0.303 9.381 1.00 0.00 H new ATOM 604 N ASN A 55 -6.216 0.938 4.998 1.00 0.00 N ATOM 605 CA ASN A 55 -7.182 2.027 5.111 1.00 0.00 C ATOM 606 C ASN A 55 -6.564 3.369 4.738 1.00 0.00 C ATOM 607 O ASN A 55 -5.388 3.620 5.000 1.00 0.00 O ATOM 608 CB ASN A 55 -7.743 2.092 6.533 1.00 0.00 C ATOM 609 CG ASN A 55 -6.656 2.029 7.590 1.00 0.00 C ATOM 610 OD1 ASN A 55 -5.888 3.105 7.713 1.00 0.00 O flip ATOM 611 ND2 ASN A 55 -6.510 1.026 8.287 1.00 0.00 N flip ATOM 0 H ASN A 55 -5.264 1.237 4.786 1.00 0.00 H new ATOM 0 HA ASN A 55 -7.991 1.822 4.410 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -8.310 3.015 6.654 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -8.440 1.267 6.683 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -7.124 0.222 8.158 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -5.775 0.999 8.994 1.00 0.00 H new ATOM 618 N ILE A 56 -7.374 4.231 4.127 1.00 0.00 N ATOM 619 CA ILE A 56 -6.923 5.557 3.720 1.00 0.00 C ATOM 620 C ILE A 56 -7.230 6.586 4.805 1.00 0.00 C ATOM 621 O ILE A 56 -8.392 6.890 5.073 1.00 0.00 O ATOM 622 CB ILE A 56 -7.591 5.997 2.399 1.00 0.00 C ATOM 623 CG1 ILE A 56 -7.337 4.958 1.305 1.00 0.00 C ATOM 624 CG2 ILE A 56 -7.081 7.365 1.969 1.00 0.00 C ATOM 625 CD1 ILE A 56 -5.884 4.852 0.894 1.00 0.00 C ATOM 0 H ILE A 56 -8.349 4.032 3.903 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.845 5.500 3.566 1.00 0.00 H new ATOM 0 HB ILE A 56 -8.666 6.072 2.563 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -7.679 3.984 1.655 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -7.936 5.211 0.430 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -7.564 7.657 1.036 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -7.311 8.099 2.742 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -6.002 7.321 1.821 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -5.780 4.096 0.115 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -5.542 5.815 0.513 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -5.281 4.569 1.757 1.00 0.00 H new ATOM 637 N LEU A 57 -6.182 7.111 5.430 1.00 0.00 N ATOM 638 CA LEU A 57 -6.341 8.099 6.490 1.00 0.00 C ATOM 639 C LEU A 57 -6.852 9.425 5.933 1.00 0.00 C ATOM 640 O LEU A 57 -6.619 9.749 4.768 1.00 0.00 O ATOM 641 CB LEU A 57 -5.015 8.302 7.220 1.00 0.00 C ATOM 642 CG LEU A 57 -4.272 7.011 7.561 1.00 0.00 C ATOM 643 CD1 LEU A 57 -3.004 7.312 8.344 1.00 0.00 C ATOM 644 CD2 LEU A 57 -5.174 6.068 8.343 1.00 0.00 C ATOM 0 H LEU A 57 -5.213 6.869 5.221 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.081 7.726 7.198 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.368 8.926 6.604 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -5.204 8.852 8.142 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.989 6.522 6.629 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.490 6.379 8.577 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.350 7.948 7.747 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.262 7.825 9.270 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.629 5.154 8.577 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.489 6.550 9.268 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.051 5.824 7.744 1.00 0.00 H new ATOM 656 N PRO A 58 -7.573 10.208 6.759 1.00 0.00 N ATOM 657 CA PRO A 58 -8.135 11.497 6.347 1.00 0.00 C ATOM 658 C PRO A 58 -7.143 12.655 6.441 1.00 0.00 C ATOM 659 O PRO A 58 -7.546 13.812 6.560 1.00 0.00 O ATOM 660 CB PRO A 58 -9.272 11.693 7.344 1.00 0.00 C ATOM 661 CG PRO A 58 -8.787 11.037 8.593 1.00 0.00 C ATOM 662 CD PRO A 58 -7.909 9.889 8.161 1.00 0.00 C ATOM 0 HA PRO A 58 -8.437 11.490 5.300 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -9.481 12.751 7.506 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -10.196 11.237 6.988 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -8.229 11.742 9.210 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -9.624 10.681 9.194 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -7.015 9.815 8.779 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -8.431 8.935 8.240 1.00 0.00 H new ATOM 670 N ARG A 59 -5.852 12.347 6.381 1.00 0.00 N ATOM 671 CA ARG A 59 -4.823 13.376 6.458 1.00 0.00 C ATOM 672 C ARG A 59 -3.586 12.975 5.662 1.00 0.00 C ATOM 673 O ARG A 59 -2.655 12.379 6.204 1.00 0.00 O ATOM 674 CB ARG A 59 -4.438 13.638 7.915 1.00 0.00 C ATOM 675 CG ARG A 59 -5.514 14.358 8.712 1.00 0.00 C ATOM 676 CD ARG A 59 -5.561 15.842 8.376 1.00 0.00 C ATOM 677 NE ARG A 59 -6.920 16.293 8.084 1.00 0.00 N ATOM 678 CZ ARG A 59 -7.876 16.406 9.005 1.00 0.00 C ATOM 679 NH1 ARG A 59 -7.627 16.099 10.272 1.00 0.00 N ATOM 680 NH2 ARG A 59 -9.084 16.825 8.655 1.00 0.00 N ATOM 0 H ARG A 59 -5.495 11.397 6.280 1.00 0.00 H new ATOM 0 HA ARG A 59 -5.232 14.289 6.026 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -4.215 12.687 8.399 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -3.523 14.230 7.939 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -6.484 13.907 8.505 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -5.324 14.231 9.778 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -5.160 16.416 9.211 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -4.921 16.040 7.517 1.00 0.00 H new ATOM 0 HE ARG A 59 -7.150 16.535 7.120 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -6.699 15.774 10.545 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -8.363 16.188 10.972 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -9.280 17.060 7.682 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -9.817 16.912 9.359 1.00 0.00 H new ATOM 694 N GLY A 60 -3.581 13.309 4.375 1.00 0.00 N ATOM 695 CA GLY A 60 -2.449 12.977 3.533 1.00 0.00 C ATOM 696 C GLY A 60 -2.635 13.428 2.097 1.00 0.00 C ATOM 697 O GLY A 60 -3.663 14.003 1.745 1.00 0.00 O ATOM 0 H GLY A 60 -4.339 13.802 3.903 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -1.550 13.439 3.941 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -2.290 11.899 3.553 1.00 0.00 H new ATOM 701 N ALA A 61 -1.627 13.171 1.272 1.00 0.00 N ATOM 702 CA ALA A 61 -1.667 13.557 -0.134 1.00 0.00 C ATOM 703 C ALA A 61 -2.566 12.632 -0.950 1.00 0.00 C ATOM 704 O ALA A 61 -3.103 13.033 -1.983 1.00 0.00 O ATOM 705 CB ALA A 61 -0.263 13.574 -0.715 1.00 0.00 C ATOM 0 H ALA A 61 -0.769 12.696 1.553 1.00 0.00 H new ATOM 0 HA ALA A 61 -2.090 14.560 -0.189 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.307 13.864 -1.765 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.349 14.290 -0.166 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.178 12.581 -0.631 1.00 0.00 H new ATOM 711 N ALA A 62 -2.723 11.394 -0.497 1.00 0.00 N ATOM 712 CA ALA A 62 -3.555 10.430 -1.209 1.00 0.00 C ATOM 713 C ALA A 62 -5.021 10.841 -1.184 1.00 0.00 C ATOM 714 O ALA A 62 -5.655 10.968 -2.233 1.00 0.00 O ATOM 715 CB ALA A 62 -3.382 9.037 -0.626 1.00 0.00 C ATOM 0 H ALA A 62 -2.289 11.035 0.354 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.229 10.413 -2.249 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.011 8.334 -1.171 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -2.339 8.733 -0.713 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -3.672 9.044 0.425 1.00 0.00 H new ATOM 721 N ILE A 63 -5.560 11.045 0.011 1.00 0.00 N ATOM 722 CA ILE A 63 -6.950 11.438 0.156 1.00 0.00 C ATOM 723 C ILE A 63 -7.214 12.800 -0.480 1.00 0.00 C ATOM 724 O ILE A 63 -8.275 13.023 -1.064 1.00 0.00 O ATOM 725 CB ILE A 63 -7.374 11.443 1.636 1.00 0.00 C ATOM 726 CG1 ILE A 63 -8.826 10.997 1.743 1.00 0.00 C ATOM 727 CG2 ILE A 63 -7.172 12.813 2.278 1.00 0.00 C ATOM 728 CD1 ILE A 63 -9.257 10.702 3.154 1.00 0.00 C ATOM 0 H ILE A 63 -5.054 10.944 0.891 1.00 0.00 H new ATOM 0 HA ILE A 63 -7.553 10.698 -0.371 1.00 0.00 H new ATOM 0 HB ILE A 63 -6.740 10.745 2.182 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -9.469 11.774 1.329 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -8.971 10.106 1.133 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -7.483 12.775 3.322 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -6.119 13.089 2.223 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -7.770 13.555 1.748 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -10.301 10.390 3.158 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -8.638 9.904 3.564 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -9.144 11.598 3.764 1.00 0.00 H new ATOM 740 N GLN A 64 -6.246 13.706 -0.373 1.00 0.00 N ATOM 741 CA GLN A 64 -6.394 15.034 -0.952 1.00 0.00 C ATOM 742 C GLN A 64 -6.320 14.961 -2.475 1.00 0.00 C ATOM 743 O GLN A 64 -7.018 15.693 -3.177 1.00 0.00 O ATOM 744 CB GLN A 64 -5.327 15.989 -0.400 1.00 0.00 C ATOM 745 CG GLN A 64 -4.019 15.986 -1.175 1.00 0.00 C ATOM 746 CD GLN A 64 -2.959 16.863 -0.537 1.00 0.00 C ATOM 747 OE1 GLN A 64 -2.931 17.036 0.681 1.00 0.00 O ATOM 748 NE2 GLN A 64 -2.081 17.424 -1.360 1.00 0.00 N ATOM 0 H GLN A 64 -5.359 13.546 0.105 1.00 0.00 H new ATOM 0 HA GLN A 64 -7.373 15.425 -0.674 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -5.730 17.002 -0.396 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.121 15.724 0.637 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -3.645 14.964 -1.245 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -4.204 16.329 -2.193 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -2.141 17.253 -2.364 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -1.346 18.026 -0.988 1.00 0.00 H new ATOM 757 N ASP A 65 -5.470 14.068 -2.979 1.00 0.00 N ATOM 758 CA ASP A 65 -5.311 13.893 -4.416 1.00 0.00 C ATOM 759 C ASP A 65 -6.539 13.220 -5.019 1.00 0.00 C ATOM 760 O ASP A 65 -6.921 13.503 -6.155 1.00 0.00 O ATOM 761 CB ASP A 65 -4.060 13.065 -4.717 1.00 0.00 C ATOM 762 CG ASP A 65 -2.805 13.913 -4.787 1.00 0.00 C ATOM 763 OD1 ASP A 65 -2.759 14.962 -4.110 1.00 0.00 O ATOM 764 OD2 ASP A 65 -1.868 13.529 -5.519 1.00 0.00 O ATOM 0 H ASP A 65 -4.883 13.457 -2.412 1.00 0.00 H new ATOM 0 HA ASP A 65 -5.200 14.879 -4.867 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -3.938 12.304 -3.946 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -4.194 12.541 -5.664 1.00 0.00 H new ATOM 769 N GLY A 66 -7.149 12.322 -4.253 1.00 0.00 N ATOM 770 CA GLY A 66 -8.327 11.619 -4.728 1.00 0.00 C ATOM 771 C GLY A 66 -8.025 10.723 -5.912 1.00 0.00 C ATOM 772 O GLY A 66 -8.629 10.867 -6.976 1.00 0.00 O ATOM 0 H GLY A 66 -6.849 12.068 -3.312 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -8.740 11.019 -3.917 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -9.091 12.344 -5.010 1.00 0.00 H new ATOM 776 N ARG A 67 -7.088 9.799 -5.731 1.00 0.00 N ATOM 777 CA ARG A 67 -6.708 8.880 -6.797 1.00 0.00 C ATOM 778 C ARG A 67 -6.611 7.448 -6.283 1.00 0.00 C ATOM 779 O ARG A 67 -7.110 6.516 -6.914 1.00 0.00 O ATOM 780 CB ARG A 67 -5.372 9.304 -7.412 1.00 0.00 C ATOM 781 CG ARG A 67 -5.372 10.727 -7.945 1.00 0.00 C ATOM 782 CD ARG A 67 -4.335 10.910 -9.041 1.00 0.00 C ATOM 783 NE ARG A 67 -4.749 11.906 -10.026 1.00 0.00 N ATOM 784 CZ ARG A 67 -3.920 12.476 -10.897 1.00 0.00 C ATOM 785 NH1 ARG A 67 -2.634 12.149 -10.912 1.00 0.00 N ATOM 786 NH2 ARG A 67 -4.378 13.374 -11.758 1.00 0.00 N ATOM 0 H ARG A 67 -6.578 9.667 -4.857 1.00 0.00 H new ATOM 0 HA ARG A 67 -7.484 8.917 -7.562 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -4.588 9.206 -6.661 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -5.122 8.621 -8.224 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -6.361 10.971 -8.333 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -5.169 11.422 -7.130 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -3.387 11.213 -8.596 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -4.163 9.956 -9.540 1.00 0.00 H new ATOM 0 HE ARG A 67 -5.731 12.181 -10.047 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -2.276 11.457 -10.253 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -2.004 12.589 -11.582 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -5.366 13.628 -11.753 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -3.743 13.811 -12.426 1.00 0.00 H new ATOM 800 N LEU A 68 -5.964 7.278 -5.136 1.00 0.00 N ATOM 801 CA LEU A 68 -5.798 5.958 -4.541 1.00 0.00 C ATOM 802 C LEU A 68 -6.660 5.815 -3.286 1.00 0.00 C ATOM 803 O LEU A 68 -6.508 6.570 -2.326 1.00 0.00 O ATOM 804 CB LEU A 68 -4.315 5.707 -4.225 1.00 0.00 C ATOM 805 CG LEU A 68 -3.998 5.230 -2.804 1.00 0.00 C ATOM 806 CD1 LEU A 68 -4.574 3.843 -2.564 1.00 0.00 C ATOM 807 CD2 LEU A 68 -2.495 5.232 -2.567 1.00 0.00 C ATOM 0 H LEU A 68 -5.546 8.038 -4.600 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.131 5.206 -5.257 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.936 4.965 -4.928 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.765 6.630 -4.407 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.461 5.919 -2.098 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.338 3.522 -1.549 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.656 3.871 -2.694 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.141 3.141 -3.277 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.286 4.891 -1.553 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.013 4.564 -3.281 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.108 6.243 -2.697 1.00 0.00 H new ATOM 819 N LYS A 69 -7.566 4.843 -3.308 1.00 0.00 N ATOM 820 CA LYS A 69 -8.449 4.596 -2.177 1.00 0.00 C ATOM 821 C LYS A 69 -8.032 3.334 -1.430 1.00 0.00 C ATOM 822 O LYS A 69 -6.963 2.779 -1.682 1.00 0.00 O ATOM 823 CB LYS A 69 -9.891 4.468 -2.657 1.00 0.00 C ATOM 824 CG LYS A 69 -10.649 5.780 -2.639 1.00 0.00 C ATOM 825 CD LYS A 69 -11.879 5.705 -3.519 1.00 0.00 C ATOM 826 CE LYS A 69 -12.545 7.064 -3.671 1.00 0.00 C ATOM 827 NZ LYS A 69 -12.305 7.654 -5.018 1.00 0.00 N ATOM 0 H LYS A 69 -7.707 4.214 -4.098 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.374 5.441 -1.492 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.895 4.069 -3.671 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -10.413 3.747 -2.028 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -10.942 6.021 -1.617 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -9.999 6.585 -2.983 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -11.601 5.324 -4.502 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -12.589 4.997 -3.092 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -13.618 6.963 -3.505 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -12.166 7.741 -2.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -12.775 8.579 -5.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -11.283 7.774 -5.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -12.689 7.020 -5.748 1.00 0.00 H new ATOM 841 N ALA A 70 -8.879 2.883 -0.511 1.00 0.00 N ATOM 842 CA ALA A 70 -8.593 1.685 0.266 1.00 0.00 C ATOM 843 C ALA A 70 -8.953 0.425 -0.512 1.00 0.00 C ATOM 844 O ALA A 70 -9.597 0.494 -1.561 1.00 0.00 O ATOM 845 CB ALA A 70 -9.343 1.720 1.589 1.00 0.00 C ATOM 0 H ALA A 70 -9.768 3.329 -0.287 1.00 0.00 H new ATOM 0 HA ALA A 70 -7.522 1.663 0.468 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -9.119 0.818 2.158 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -9.033 2.595 2.160 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -10.415 1.772 1.398 1.00 0.00 H new ATOM 851 N GLY A 71 -8.535 -0.725 0.004 1.00 0.00 N ATOM 852 CA GLY A 71 -8.821 -1.985 -0.657 1.00 0.00 C ATOM 853 C GLY A 71 -7.920 -2.237 -1.851 1.00 0.00 C ATOM 854 O GLY A 71 -8.252 -3.035 -2.728 1.00 0.00 O ATOM 0 H GLY A 71 -8.002 -0.808 0.870 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -8.707 -2.800 0.058 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -9.861 -1.991 -0.984 1.00 0.00 H new ATOM 858 N ASP A 72 -6.778 -1.557 -1.888 1.00 0.00 N ATOM 859 CA ASP A 72 -5.831 -1.715 -2.984 1.00 0.00 C ATOM 860 C ASP A 72 -4.532 -2.352 -2.497 1.00 0.00 C ATOM 861 O ASP A 72 -4.188 -2.260 -1.320 1.00 0.00 O ATOM 862 CB ASP A 72 -5.542 -0.359 -3.635 1.00 0.00 C ATOM 863 CG ASP A 72 -4.756 0.568 -2.728 1.00 0.00 C ATOM 864 OD1 ASP A 72 -5.287 0.949 -1.665 1.00 0.00 O ATOM 865 OD2 ASP A 72 -3.608 0.911 -3.082 1.00 0.00 O ATOM 0 H ASP A 72 -6.487 -0.892 -1.171 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.278 -2.377 -3.726 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.985 -0.515 -4.559 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -6.484 0.117 -3.907 1.00 0.00 H new ATOM 870 N ARG A 73 -3.815 -2.997 -3.412 1.00 0.00 N ATOM 871 CA ARG A 73 -2.553 -3.648 -3.073 1.00 0.00 C ATOM 872 C ARG A 73 -1.393 -3.016 -3.837 1.00 0.00 C ATOM 873 O ARG A 73 -1.453 -2.853 -5.057 1.00 0.00 O ATOM 874 CB ARG A 73 -2.636 -5.153 -3.359 1.00 0.00 C ATOM 875 CG ARG A 73 -1.315 -5.893 -3.197 1.00 0.00 C ATOM 876 CD ARG A 73 -1.108 -6.909 -4.309 1.00 0.00 C ATOM 877 NE ARG A 73 0.000 -7.819 -4.024 1.00 0.00 N ATOM 878 CZ ARG A 73 1.280 -7.518 -4.232 1.00 0.00 C ATOM 879 NH1 ARG A 73 1.619 -6.330 -4.718 1.00 0.00 N ATOM 880 NH2 ARG A 73 2.225 -8.406 -3.952 1.00 0.00 N ATOM 0 H ARG A 73 -4.085 -3.083 -4.392 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.369 -3.508 -2.008 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -3.373 -5.598 -2.691 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -2.999 -5.299 -4.377 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -0.493 -5.177 -3.198 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -1.296 -6.399 -2.232 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -2.023 -7.485 -4.448 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -0.915 -6.386 -5.246 1.00 0.00 H new ATOM 0 HE ARG A 73 -0.221 -8.739 -3.643 1.00 0.00 H new ATOM 0 HH11 ARG A 73 0.897 -5.642 -4.934 1.00 0.00 H new ATOM 0 HH12 ARG A 73 2.601 -6.105 -4.875 1.00 0.00 H new ATOM 0 HH21 ARG A 73 1.971 -9.320 -3.577 1.00 0.00 H new ATOM 0 HH22 ARG A 73 3.206 -8.175 -4.112 1.00 0.00 H new ATOM 894 N LEU A 74 -0.345 -2.657 -3.104 1.00 0.00 N ATOM 895 CA LEU A 74 0.834 -2.034 -3.693 1.00 0.00 C ATOM 896 C LEU A 74 1.644 -3.033 -4.511 1.00 0.00 C ATOM 897 O LEU A 74 2.265 -3.943 -3.962 1.00 0.00 O ATOM 898 CB LEU A 74 1.715 -1.436 -2.597 1.00 0.00 C ATOM 899 CG LEU A 74 1.310 -0.037 -2.134 1.00 0.00 C ATOM 900 CD1 LEU A 74 0.407 -0.122 -0.913 1.00 0.00 C ATOM 901 CD2 LEU A 74 2.541 0.808 -1.836 1.00 0.00 C ATOM 0 H LEU A 74 -0.288 -2.788 -2.094 1.00 0.00 H new ATOM 0 HA LEU A 74 0.492 -1.244 -4.361 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.703 -2.105 -1.736 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.743 -1.400 -2.958 1.00 0.00 H new ATOM 0 HG LEU A 74 0.755 0.445 -2.939 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.128 0.883 -0.596 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.491 -0.686 -1.163 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.937 -0.624 -0.103 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.231 1.800 -1.508 1.00 0.00 H new ATOM 0 HD22 LEU A 74 3.127 0.333 -1.049 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.148 0.897 -2.737 1.00 0.00 H new ATOM 913 N ILE A 75 1.643 -2.846 -5.825 1.00 0.00 N ATOM 914 CA ILE A 75 2.388 -3.716 -6.723 1.00 0.00 C ATOM 915 C ILE A 75 3.806 -3.193 -6.926 1.00 0.00 C ATOM 916 O ILE A 75 4.731 -3.962 -7.187 1.00 0.00 O ATOM 917 CB ILE A 75 1.687 -3.840 -8.089 1.00 0.00 C ATOM 918 CG1 ILE A 75 0.287 -4.431 -7.901 1.00 0.00 C ATOM 919 CG2 ILE A 75 2.523 -4.691 -9.041 1.00 0.00 C ATOM 920 CD1 ILE A 75 -0.267 -5.116 -9.133 1.00 0.00 C ATOM 0 H ILE A 75 1.132 -2.097 -6.292 1.00 0.00 H new ATOM 0 HA ILE A 75 2.431 -4.702 -6.261 1.00 0.00 H new ATOM 0 HB ILE A 75 1.585 -2.849 -8.532 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.315 -5.149 -7.081 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.395 -3.634 -7.604 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.014 -4.769 -10.002 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.498 -4.226 -9.184 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.655 -5.687 -8.618 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -1.261 -5.507 -8.916 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.330 -4.398 -9.951 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.391 -5.936 -9.420 1.00 0.00 H new ATOM 932 N GLU A 76 3.967 -1.877 -6.805 1.00 0.00 N ATOM 933 CA GLU A 76 5.270 -1.246 -6.976 1.00 0.00 C ATOM 934 C GLU A 76 5.242 0.205 -6.500 1.00 0.00 C ATOM 935 O GLU A 76 4.245 0.906 -6.674 1.00 0.00 O ATOM 936 CB GLU A 76 5.697 -1.305 -8.444 1.00 0.00 C ATOM 937 CG GLU A 76 6.657 -2.443 -8.751 1.00 0.00 C ATOM 938 CD GLU A 76 6.299 -3.183 -10.024 1.00 0.00 C ATOM 939 OE1 GLU A 76 5.097 -3.239 -10.360 1.00 0.00 O ATOM 940 OE2 GLU A 76 7.219 -3.708 -10.685 1.00 0.00 O ATOM 0 H GLU A 76 3.210 -1.228 -6.589 1.00 0.00 H new ATOM 0 HA GLU A 76 5.993 -1.792 -6.370 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.810 -1.410 -9.068 1.00 0.00 H new ATOM 0 HB3 GLU A 76 6.167 -0.360 -8.716 1.00 0.00 H new ATOM 0 HG2 GLU A 76 7.668 -2.046 -8.839 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.661 -3.144 -7.917 1.00 0.00 H new ATOM 947 N VAL A 77 6.344 0.648 -5.903 1.00 0.00 N ATOM 948 CA VAL A 77 6.449 2.015 -5.405 1.00 0.00 C ATOM 949 C VAL A 77 7.749 2.665 -5.870 1.00 0.00 C ATOM 950 O VAL A 77 8.831 2.106 -5.697 1.00 0.00 O ATOM 951 CB VAL A 77 6.388 2.062 -3.864 1.00 0.00 C ATOM 952 CG1 VAL A 77 6.446 3.498 -3.365 1.00 0.00 C ATOM 953 CG2 VAL A 77 5.133 1.364 -3.356 1.00 0.00 C ATOM 0 H VAL A 77 7.177 0.080 -5.752 1.00 0.00 H new ATOM 0 HA VAL A 77 5.600 2.566 -5.809 1.00 0.00 H new ATOM 0 HB VAL A 77 7.256 1.532 -3.472 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.402 3.507 -2.276 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.377 3.960 -3.694 1.00 0.00 H new ATOM 0 HG13 VAL A 77 5.601 4.057 -3.767 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.108 1.408 -2.267 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.251 1.862 -3.760 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.141 0.322 -3.677 1.00 0.00 H new ATOM 963 N ASN A 78 7.635 3.852 -6.462 1.00 0.00 N ATOM 964 CA ASN A 78 8.801 4.580 -6.953 1.00 0.00 C ATOM 965 C ASN A 78 9.640 3.705 -7.881 1.00 0.00 C ATOM 966 O ASN A 78 10.861 3.847 -7.949 1.00 0.00 O ATOM 967 CB ASN A 78 9.653 5.070 -5.779 1.00 0.00 C ATOM 968 CG ASN A 78 9.922 6.560 -5.842 1.00 0.00 C ATOM 969 OD1 ASN A 78 8.869 7.357 -5.704 1.00 0.00 O flip ATOM 970 ND2 ASN A 78 11.063 6.991 -6.014 1.00 0.00 N flip ATOM 0 H ASN A 78 6.746 4.330 -6.613 1.00 0.00 H new ATOM 0 HA ASN A 78 8.449 5.441 -7.521 1.00 0.00 H new ATOM 0 HB2 ASN A 78 9.147 4.834 -4.843 1.00 0.00 H new ATOM 0 HB3 ASN A 78 10.601 4.532 -5.773 1.00 0.00 H new ATOM 0 HD21 ASN A 78 11.843 6.342 -6.115 1.00 0.00 H new ATOM 0 HD22 ASN A 78 11.227 7.997 -6.055 1.00 0.00 H new ATOM 977 N GLY A 79 8.975 2.802 -8.594 1.00 0.00 N ATOM 978 CA GLY A 79 9.673 1.918 -9.508 1.00 0.00 C ATOM 979 C GLY A 79 10.338 0.752 -8.800 1.00 0.00 C ATOM 980 O GLY A 79 11.246 0.123 -9.346 1.00 0.00 O ATOM 0 H GLY A 79 7.965 2.667 -8.555 1.00 0.00 H new ATOM 0 HA2 GLY A 79 8.969 1.536 -10.247 1.00 0.00 H new ATOM 0 HA3 GLY A 79 10.428 2.486 -10.052 1.00 0.00 H new ATOM 984 N VAL A 80 9.887 0.461 -7.583 1.00 0.00 N ATOM 985 CA VAL A 80 10.447 -0.638 -6.805 1.00 0.00 C ATOM 986 C VAL A 80 9.472 -1.804 -6.720 1.00 0.00 C ATOM 987 O VAL A 80 8.256 -1.612 -6.696 1.00 0.00 O ATOM 988 CB VAL A 80 10.817 -0.188 -5.377 1.00 0.00 C ATOM 989 CG1 VAL A 80 11.283 -1.372 -4.539 1.00 0.00 C ATOM 990 CG2 VAL A 80 11.885 0.892 -5.419 1.00 0.00 C ATOM 0 H VAL A 80 9.137 0.970 -7.116 1.00 0.00 H new ATOM 0 HA VAL A 80 11.351 -0.960 -7.322 1.00 0.00 H new ATOM 0 HB VAL A 80 9.925 0.228 -4.909 1.00 0.00 H new ATOM 0 HG11 VAL A 80 11.538 -1.030 -3.536 1.00 0.00 H new ATOM 0 HG12 VAL A 80 10.484 -2.111 -4.478 1.00 0.00 H new ATOM 0 HG13 VAL A 80 12.160 -1.823 -5.003 1.00 0.00 H new ATOM 0 HG21 VAL A 80 12.134 1.197 -4.403 1.00 0.00 H new ATOM 0 HG22 VAL A 80 12.777 0.503 -5.909 1.00 0.00 H new ATOM 0 HG23 VAL A 80 11.511 1.752 -5.975 1.00 0.00 H new ATOM 1000 N ASP A 81 10.016 -3.014 -6.662 1.00 0.00 N ATOM 1001 CA ASP A 81 9.202 -4.216 -6.566 1.00 0.00 C ATOM 1002 C ASP A 81 8.995 -4.601 -5.106 1.00 0.00 C ATOM 1003 O ASP A 81 9.931 -5.019 -4.425 1.00 0.00 O ATOM 1004 CB ASP A 81 9.862 -5.369 -7.324 1.00 0.00 C ATOM 1005 CG ASP A 81 8.866 -6.173 -8.135 1.00 0.00 C ATOM 1006 OD1 ASP A 81 8.491 -5.716 -9.237 1.00 0.00 O ATOM 1007 OD2 ASP A 81 8.459 -7.258 -7.671 1.00 0.00 O ATOM 0 H ASP A 81 11.021 -3.187 -6.680 1.00 0.00 H new ATOM 0 HA ASP A 81 8.231 -4.011 -7.016 1.00 0.00 H new ATOM 0 HB2 ASP A 81 10.630 -4.971 -7.988 1.00 0.00 H new ATOM 0 HB3 ASP A 81 10.364 -6.027 -6.614 1.00 0.00 H new ATOM 1012 N LEU A 82 7.762 -4.457 -4.629 1.00 0.00 N ATOM 1013 CA LEU A 82 7.437 -4.789 -3.248 1.00 0.00 C ATOM 1014 C LEU A 82 7.031 -6.255 -3.117 1.00 0.00 C ATOM 1015 O LEU A 82 6.331 -6.634 -2.179 1.00 0.00 O ATOM 1016 CB LEU A 82 6.310 -3.890 -2.737 1.00 0.00 C ATOM 1017 CG LEU A 82 6.497 -2.399 -3.022 1.00 0.00 C ATOM 1018 CD1 LEU A 82 5.158 -1.738 -3.307 1.00 0.00 C ATOM 1019 CD2 LEU A 82 7.196 -1.716 -1.856 1.00 0.00 C ATOM 0 H LEU A 82 6.974 -4.113 -5.178 1.00 0.00 H new ATOM 0 HA LEU A 82 8.329 -4.624 -2.644 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.372 -4.216 -3.187 1.00 0.00 H new ATOM 0 HB3 LEU A 82 6.213 -4.030 -1.660 1.00 0.00 H new ATOM 0 HG LEU A 82 7.125 -2.294 -3.906 1.00 0.00 H new ATOM 0 HD11 LEU A 82 5.311 -0.678 -3.507 1.00 0.00 H new ATOM 0 HD12 LEU A 82 4.697 -2.209 -4.176 1.00 0.00 H new ATOM 0 HD13 LEU A 82 4.504 -1.853 -2.443 1.00 0.00 H new ATOM 0 HD21 LEU A 82 7.320 -0.656 -2.077 1.00 0.00 H new ATOM 0 HD22 LEU A 82 6.595 -1.831 -0.954 1.00 0.00 H new ATOM 0 HD23 LEU A 82 8.174 -2.171 -1.701 1.00 0.00 H new ATOM 1031 N ALA A 83 7.479 -7.077 -4.061 1.00 0.00 N ATOM 1032 CA ALA A 83 7.165 -8.500 -4.042 1.00 0.00 C ATOM 1033 C ALA A 83 8.289 -9.296 -3.389 1.00 0.00 C ATOM 1034 O ALA A 83 8.925 -10.134 -4.027 1.00 0.00 O ATOM 1035 CB ALA A 83 6.906 -9.004 -5.454 1.00 0.00 C ATOM 0 H ALA A 83 8.059 -6.782 -4.847 1.00 0.00 H new ATOM 0 HA ALA A 83 6.261 -8.642 -3.450 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.673 -10.068 -5.423 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.065 -8.461 -5.886 1.00 0.00 H new ATOM 0 HB3 ALA A 83 7.794 -8.845 -6.066 1.00 0.00 H new ATOM 1041 N GLY A 84 8.531 -9.022 -2.111 1.00 0.00 N ATOM 1042 CA GLY A 84 9.581 -9.713 -1.389 1.00 0.00 C ATOM 1043 C GLY A 84 10.199 -8.855 -0.303 1.00 0.00 C ATOM 1044 O GLY A 84 10.824 -9.371 0.624 1.00 0.00 O ATOM 0 H GLY A 84 8.017 -8.332 -1.563 1.00 0.00 H new ATOM 0 HA2 GLY A 84 9.174 -10.621 -0.943 1.00 0.00 H new ATOM 0 HA3 GLY A 84 10.357 -10.022 -2.090 1.00 0.00 H new ATOM 1048 N LYS A 85 10.029 -7.539 -0.416 1.00 0.00 N ATOM 1049 CA LYS A 85 10.576 -6.609 0.563 1.00 0.00 C ATOM 1050 C LYS A 85 10.087 -6.949 1.974 1.00 0.00 C ATOM 1051 O LYS A 85 10.689 -7.774 2.662 1.00 0.00 O ATOM 1052 CB LYS A 85 10.201 -5.171 0.198 1.00 0.00 C ATOM 1053 CG LYS A 85 11.225 -4.480 -0.688 1.00 0.00 C ATOM 1054 CD LYS A 85 10.580 -3.416 -1.562 1.00 0.00 C ATOM 1055 CE LYS A 85 10.975 -2.016 -1.121 1.00 0.00 C ATOM 1056 NZ LYS A 85 12.451 -1.821 -1.142 1.00 0.00 N ATOM 0 H LYS A 85 9.516 -7.095 -1.177 1.00 0.00 H new ATOM 0 HA LYS A 85 11.662 -6.701 0.551 1.00 0.00 H new ATOM 0 HB2 LYS A 85 9.237 -5.174 -0.310 1.00 0.00 H new ATOM 0 HB3 LYS A 85 10.077 -4.593 1.114 1.00 0.00 H new ATOM 0 HG2 LYS A 85 11.996 -4.024 -0.067 1.00 0.00 H new ATOM 0 HG3 LYS A 85 11.720 -5.219 -1.318 1.00 0.00 H new ATOM 0 HD2 LYS A 85 10.876 -3.568 -2.600 1.00 0.00 H new ATOM 0 HD3 LYS A 85 9.496 -3.519 -1.521 1.00 0.00 H new ATOM 0 HE2 LYS A 85 10.503 -1.283 -1.775 1.00 0.00 H new ATOM 0 HE3 LYS A 85 10.599 -1.833 -0.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 12.667 -0.827 -1.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 12.847 -2.067 -0.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 12.872 -2.432 -1.871 1.00 0.00 H new ATOM 1070 N SER A 86 8.993 -6.309 2.394 1.00 0.00 N ATOM 1071 CA SER A 86 8.409 -6.531 3.717 1.00 0.00 C ATOM 1072 C SER A 86 7.518 -5.353 4.097 1.00 0.00 C ATOM 1073 O SER A 86 7.487 -4.341 3.398 1.00 0.00 O ATOM 1074 CB SER A 86 9.498 -6.721 4.780 1.00 0.00 C ATOM 1075 OG SER A 86 8.994 -6.481 6.083 1.00 0.00 O ATOM 0 H SER A 86 8.490 -5.625 1.829 1.00 0.00 H new ATOM 0 HA SER A 86 7.812 -7.442 3.674 1.00 0.00 H new ATOM 0 HB2 SER A 86 9.893 -7.735 4.722 1.00 0.00 H new ATOM 0 HB3 SER A 86 10.328 -6.044 4.578 1.00 0.00 H new ATOM 0 HG SER A 86 9.710 -6.611 6.740 1.00 0.00 H new ATOM 1081 N GLN A 87 6.804 -5.482 5.206 1.00 0.00 N ATOM 1082 CA GLN A 87 5.928 -4.413 5.668 1.00 0.00 C ATOM 1083 C GLN A 87 6.754 -3.227 6.124 1.00 0.00 C ATOM 1084 O GLN A 87 6.571 -2.108 5.650 1.00 0.00 O ATOM 1085 CB GLN A 87 5.031 -4.901 6.806 1.00 0.00 C ATOM 1086 CG GLN A 87 4.082 -3.834 7.329 1.00 0.00 C ATOM 1087 CD GLN A 87 3.135 -3.321 6.262 1.00 0.00 C ATOM 1088 OE1 GLN A 87 3.554 -2.682 5.300 1.00 0.00 O ATOM 1089 NE2 GLN A 87 1.848 -3.601 6.432 1.00 0.00 N ATOM 0 H GLN A 87 6.813 -6.311 5.800 1.00 0.00 H new ATOM 0 HA GLN A 87 5.291 -4.105 4.839 1.00 0.00 H new ATOM 0 HB2 GLN A 87 4.449 -5.755 6.459 1.00 0.00 H new ATOM 0 HB3 GLN A 87 5.657 -5.253 7.626 1.00 0.00 H new ATOM 0 HG2 GLN A 87 3.503 -4.243 8.157 1.00 0.00 H new ATOM 0 HG3 GLN A 87 4.662 -3.001 7.726 1.00 0.00 H new ATOM 0 HE21 GLN A 87 1.546 -4.135 7.247 1.00 0.00 H new ATOM 0 HE22 GLN A 87 1.162 -3.282 5.748 1.00 0.00 H new ATOM 1098 N GLU A 88 7.681 -3.485 7.034 1.00 0.00 N ATOM 1099 CA GLU A 88 8.554 -2.439 7.537 1.00 0.00 C ATOM 1100 C GLU A 88 9.448 -1.937 6.414 1.00 0.00 C ATOM 1101 O GLU A 88 9.820 -0.764 6.380 1.00 0.00 O ATOM 1102 CB GLU A 88 9.401 -2.953 8.703 1.00 0.00 C ATOM 1103 CG GLU A 88 8.662 -2.965 10.032 1.00 0.00 C ATOM 1104 CD GLU A 88 9.524 -2.480 11.182 1.00 0.00 C ATOM 1105 OE1 GLU A 88 9.782 -1.261 11.258 1.00 0.00 O ATOM 1106 OE2 GLU A 88 9.943 -3.321 12.005 1.00 0.00 O ATOM 0 H GLU A 88 7.847 -4.407 7.437 1.00 0.00 H new ATOM 0 HA GLU A 88 7.941 -1.615 7.903 1.00 0.00 H new ATOM 0 HB2 GLU A 88 9.741 -3.964 8.477 1.00 0.00 H new ATOM 0 HB3 GLU A 88 10.291 -2.331 8.797 1.00 0.00 H new ATOM 0 HG2 GLU A 88 7.775 -2.335 9.956 1.00 0.00 H new ATOM 0 HG3 GLU A 88 8.317 -3.977 10.243 1.00 0.00 H new ATOM 1113 N GLU A 89 9.768 -2.828 5.481 1.00 0.00 N ATOM 1114 CA GLU A 89 10.596 -2.459 4.340 1.00 0.00 C ATOM 1115 C GLU A 89 9.814 -1.520 3.438 1.00 0.00 C ATOM 1116 O GLU A 89 10.296 -0.453 3.056 1.00 0.00 O ATOM 1117 CB GLU A 89 11.028 -3.701 3.562 1.00 0.00 C ATOM 1118 CG GLU A 89 12.166 -4.463 4.217 1.00 0.00 C ATOM 1119 CD GLU A 89 13.531 -3.930 3.823 1.00 0.00 C ATOM 1120 OE1 GLU A 89 13.629 -2.726 3.507 1.00 0.00 O ATOM 1121 OE2 GLU A 89 14.500 -4.718 3.830 1.00 0.00 O ATOM 0 H GLU A 89 9.469 -3.803 5.492 1.00 0.00 H new ATOM 0 HA GLU A 89 11.494 -1.956 4.699 1.00 0.00 H new ATOM 0 HB2 GLU A 89 10.172 -4.367 3.452 1.00 0.00 H new ATOM 0 HB3 GLU A 89 11.331 -3.403 2.558 1.00 0.00 H new ATOM 0 HG2 GLU A 89 12.058 -4.409 5.300 1.00 0.00 H new ATOM 0 HG3 GLU A 89 12.098 -5.516 3.942 1.00 0.00 H new ATOM 1128 N VAL A 90 8.590 -1.924 3.121 1.00 0.00 N ATOM 1129 CA VAL A 90 7.712 -1.130 2.288 1.00 0.00 C ATOM 1130 C VAL A 90 7.445 0.219 2.945 1.00 0.00 C ATOM 1131 O VAL A 90 7.689 1.275 2.359 1.00 0.00 O ATOM 1132 CB VAL A 90 6.375 -1.862 2.029 1.00 0.00 C ATOM 1133 CG1 VAL A 90 5.363 -0.936 1.367 1.00 0.00 C ATOM 1134 CG2 VAL A 90 6.605 -3.100 1.174 1.00 0.00 C ATOM 0 H VAL A 90 8.185 -2.806 3.434 1.00 0.00 H new ATOM 0 HA VAL A 90 8.207 -0.974 1.330 1.00 0.00 H new ATOM 0 HB VAL A 90 5.967 -2.173 2.991 1.00 0.00 H new ATOM 0 HG11 VAL A 90 4.432 -1.477 1.196 1.00 0.00 H new ATOM 0 HG12 VAL A 90 5.173 -0.082 2.016 1.00 0.00 H new ATOM 0 HG13 VAL A 90 5.759 -0.586 0.414 1.00 0.00 H new ATOM 0 HG21 VAL A 90 5.654 -3.604 1.001 1.00 0.00 H new ATOM 0 HG22 VAL A 90 7.040 -2.807 0.218 1.00 0.00 H new ATOM 0 HG23 VAL A 90 7.286 -3.777 1.690 1.00 0.00 H new ATOM 1144 N VAL A 91 6.962 0.172 4.180 1.00 0.00 N ATOM 1145 CA VAL A 91 6.677 1.381 4.936 1.00 0.00 C ATOM 1146 C VAL A 91 7.933 2.230 5.080 1.00 0.00 C ATOM 1147 O VAL A 91 7.863 3.456 5.157 1.00 0.00 O ATOM 1148 CB VAL A 91 6.119 1.052 6.334 1.00 0.00 C ATOM 1149 CG1 VAL A 91 5.646 2.318 7.032 1.00 0.00 C ATOM 1150 CG2 VAL A 91 4.992 0.033 6.237 1.00 0.00 C ATOM 0 H VAL A 91 6.759 -0.694 4.679 1.00 0.00 H new ATOM 0 HA VAL A 91 5.922 1.940 4.383 1.00 0.00 H new ATOM 0 HB VAL A 91 6.920 0.614 6.929 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.255 2.066 8.018 1.00 0.00 H new ATOM 0 HG12 VAL A 91 6.482 3.009 7.139 1.00 0.00 H new ATOM 0 HG13 VAL A 91 4.861 2.788 6.440 1.00 0.00 H new ATOM 0 HG21 VAL A 91 4.612 -0.185 7.235 1.00 0.00 H new ATOM 0 HG22 VAL A 91 4.187 0.438 5.623 1.00 0.00 H new ATOM 0 HG23 VAL A 91 5.369 -0.884 5.783 1.00 0.00 H new ATOM 1160 N SER A 92 9.083 1.563 5.123 1.00 0.00 N ATOM 1161 CA SER A 92 10.362 2.245 5.266 1.00 0.00 C ATOM 1162 C SER A 92 10.687 3.078 4.034 1.00 0.00 C ATOM 1163 O SER A 92 11.141 4.216 4.147 1.00 0.00 O ATOM 1164 CB SER A 92 11.479 1.231 5.516 1.00 0.00 C ATOM 1165 OG SER A 92 12.755 1.828 5.358 1.00 0.00 O ATOM 0 H SER A 92 9.153 0.547 5.060 1.00 0.00 H new ATOM 0 HA SER A 92 10.286 2.916 6.121 1.00 0.00 H new ATOM 0 HB2 SER A 92 11.387 0.824 6.523 1.00 0.00 H new ATOM 0 HB3 SER A 92 11.377 0.395 4.824 1.00 0.00 H new ATOM 0 HG SER A 92 13.452 1.159 5.525 1.00 0.00 H new ATOM 1171 N LEU A 93 10.456 2.509 2.855 1.00 0.00 N ATOM 1172 CA LEU A 93 10.736 3.215 1.612 1.00 0.00 C ATOM 1173 C LEU A 93 9.836 4.441 1.469 1.00 0.00 C ATOM 1174 O LEU A 93 10.271 5.477 0.968 1.00 0.00 O ATOM 1175 CB LEU A 93 10.597 2.280 0.412 1.00 0.00 C ATOM 1176 CG LEU A 93 9.166 1.972 0.019 1.00 0.00 C ATOM 1177 CD1 LEU A 93 8.802 2.644 -1.289 1.00 0.00 C ATOM 1178 CD2 LEU A 93 8.948 0.473 -0.071 1.00 0.00 C ATOM 0 H LEU A 93 10.079 1.569 2.735 1.00 0.00 H new ATOM 0 HA LEU A 93 11.768 3.563 1.643 1.00 0.00 H new ATOM 0 HB2 LEU A 93 11.107 2.726 -0.442 1.00 0.00 H new ATOM 0 HB3 LEU A 93 11.109 1.344 0.635 1.00 0.00 H new ATOM 0 HG LEU A 93 8.511 2.370 0.794 1.00 0.00 H new ATOM 0 HD11 LEU A 93 7.770 2.405 -1.546 1.00 0.00 H new ATOM 0 HD12 LEU A 93 8.910 3.724 -1.186 1.00 0.00 H new ATOM 0 HD13 LEU A 93 9.464 2.287 -2.078 1.00 0.00 H new ATOM 0 HD21 LEU A 93 7.915 0.272 -0.354 1.00 0.00 H new ATOM 0 HD22 LEU A 93 9.618 0.052 -0.821 1.00 0.00 H new ATOM 0 HD23 LEU A 93 9.154 0.017 0.897 1.00 0.00 H new ATOM 1190 N LEU A 94 8.591 4.337 1.935 1.00 0.00 N ATOM 1191 CA LEU A 94 7.673 5.476 1.871 1.00 0.00 C ATOM 1192 C LEU A 94 8.008 6.457 2.984 1.00 0.00 C ATOM 1193 O LEU A 94 7.995 7.671 2.790 1.00 0.00 O ATOM 1194 CB LEU A 94 6.196 5.055 1.987 1.00 0.00 C ATOM 1195 CG LEU A 94 5.921 3.553 1.983 1.00 0.00 C ATOM 1196 CD1 LEU A 94 4.492 3.277 2.426 1.00 0.00 C ATOM 1197 CD2 LEU A 94 6.174 2.972 0.601 1.00 0.00 C ATOM 0 H LEU A 94 8.200 3.493 2.353 1.00 0.00 H new ATOM 0 HA LEU A 94 7.801 5.942 0.894 1.00 0.00 H new ATOM 0 HB2 LEU A 94 5.791 5.475 2.908 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.645 5.506 1.162 1.00 0.00 H new ATOM 0 HG LEU A 94 6.600 3.072 2.687 1.00 0.00 H new ATOM 0 HD11 LEU A 94 4.310 2.202 2.418 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.343 3.663 3.434 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.798 3.767 1.743 1.00 0.00 H new ATOM 0 HD21 LEU A 94 5.974 1.901 0.614 1.00 0.00 H new ATOM 0 HD22 LEU A 94 5.517 3.455 -0.123 1.00 0.00 H new ATOM 0 HD23 LEU A 94 7.213 3.143 0.319 1.00 0.00 H new ATOM 1209 N ARG A 95 8.316 5.910 4.153 1.00 0.00 N ATOM 1210 CA ARG A 95 8.671 6.722 5.309 1.00 0.00 C ATOM 1211 C ARG A 95 9.934 7.528 5.029 1.00 0.00 C ATOM 1212 O ARG A 95 10.111 8.628 5.554 1.00 0.00 O ATOM 1213 CB ARG A 95 8.875 5.839 6.541 1.00 0.00 C ATOM 1214 CG ARG A 95 7.618 5.654 7.373 1.00 0.00 C ATOM 1215 CD ARG A 95 7.946 5.196 8.784 1.00 0.00 C ATOM 1216 NE ARG A 95 8.009 3.740 8.889 1.00 0.00 N ATOM 1217 CZ ARG A 95 8.266 3.088 10.020 1.00 0.00 C ATOM 1218 NH1 ARG A 95 8.484 3.756 11.146 1.00 0.00 N ATOM 1219 NH2 ARG A 95 8.304 1.762 10.027 1.00 0.00 N ATOM 0 H ARG A 95 8.327 4.905 4.325 1.00 0.00 H new ATOM 0 HA ARG A 95 7.851 7.413 5.505 1.00 0.00 H new ATOM 0 HB2 ARG A 95 9.236 4.861 6.221 1.00 0.00 H new ATOM 0 HB3 ARG A 95 9.653 6.277 7.166 1.00 0.00 H new ATOM 0 HG2 ARG A 95 7.066 6.593 7.413 1.00 0.00 H new ATOM 0 HG3 ARG A 95 6.968 4.922 6.894 1.00 0.00 H new ATOM 0 HD2 ARG A 95 8.901 5.623 9.090 1.00 0.00 H new ATOM 0 HD3 ARG A 95 7.192 5.576 9.473 1.00 0.00 H new ATOM 0 HE ARG A 95 7.846 3.191 8.045 1.00 0.00 H new ATOM 0 HH11 ARG A 95 8.455 4.776 11.148 1.00 0.00 H new ATOM 0 HH12 ARG A 95 8.680 3.250 12.009 1.00 0.00 H new ATOM 0 HH21 ARG A 95 8.136 1.242 9.165 1.00 0.00 H new ATOM 0 HH22 ARG A 95 8.501 1.262 10.894 1.00 0.00 H new ATOM 1233 N SER A 96 10.811 6.975 4.194 1.00 0.00 N ATOM 1234 CA SER A 96 12.057 7.645 3.840 1.00 0.00 C ATOM 1235 C SER A 96 11.777 8.862 2.971 1.00 0.00 C ATOM 1236 O SER A 96 12.485 9.866 3.039 1.00 0.00 O ATOM 1237 CB SER A 96 12.991 6.680 3.106 1.00 0.00 C ATOM 1238 OG SER A 96 14.303 7.209 3.018 1.00 0.00 O ATOM 0 H SER A 96 10.681 6.065 3.751 1.00 0.00 H new ATOM 0 HA SER A 96 12.543 7.975 4.758 1.00 0.00 H new ATOM 0 HB2 SER A 96 13.015 5.724 3.629 1.00 0.00 H new ATOM 0 HB3 SER A 96 12.606 6.486 2.105 1.00 0.00 H new ATOM 0 HG SER A 96 14.881 6.573 2.546 1.00 0.00 H new ATOM 1244 N THR A 97 10.731 8.767 2.157 1.00 0.00 N ATOM 1245 CA THR A 97 10.344 9.862 1.275 1.00 0.00 C ATOM 1246 C THR A 97 10.070 11.126 2.082 1.00 0.00 C ATOM 1247 O THR A 97 9.489 11.066 3.167 1.00 0.00 O ATOM 1248 CB THR A 97 9.106 9.475 0.464 1.00 0.00 C ATOM 1249 OG1 THR A 97 8.857 8.084 0.556 1.00 0.00 O ATOM 1250 CG2 THR A 97 9.219 9.818 -1.004 1.00 0.00 C ATOM 0 H THR A 97 10.135 7.942 2.090 1.00 0.00 H new ATOM 0 HA THR A 97 11.167 10.061 0.588 1.00 0.00 H new ATOM 0 HB THR A 97 8.290 10.054 0.897 1.00 0.00 H new ATOM 0 HG1 THR A 97 8.076 7.929 1.127 1.00 0.00 H new ATOM 0 HG21 THR A 97 8.307 9.517 -1.519 1.00 0.00 H new ATOM 0 HG22 THR A 97 9.361 10.893 -1.117 1.00 0.00 H new ATOM 0 HG23 THR A 97 10.071 9.292 -1.436 1.00 0.00 H new ATOM 1258 N LYS A 98 10.496 12.265 1.554 1.00 0.00 N ATOM 1259 CA LYS A 98 10.299 13.542 2.231 1.00 0.00 C ATOM 1260 C LYS A 98 9.457 14.488 1.385 1.00 0.00 C ATOM 1261 O LYS A 98 9.097 14.170 0.251 1.00 0.00 O ATOM 1262 CB LYS A 98 11.648 14.186 2.544 1.00 0.00 C ATOM 1263 CG LYS A 98 12.466 14.495 1.306 1.00 0.00 C ATOM 1264 CD LYS A 98 13.557 13.461 1.086 1.00 0.00 C ATOM 1265 CE LYS A 98 14.072 13.486 -0.344 1.00 0.00 C ATOM 1266 NZ LYS A 98 13.531 12.355 -1.147 1.00 0.00 N ATOM 0 H LYS A 98 10.980 12.332 0.659 1.00 0.00 H new ATOM 0 HA LYS A 98 9.767 13.351 3.163 1.00 0.00 H new ATOM 0 HB2 LYS A 98 11.482 15.108 3.101 1.00 0.00 H new ATOM 0 HB3 LYS A 98 12.219 13.521 3.192 1.00 0.00 H new ATOM 0 HG2 LYS A 98 11.812 14.526 0.435 1.00 0.00 H new ATOM 0 HG3 LYS A 98 12.915 15.484 1.403 1.00 0.00 H new ATOM 0 HD2 LYS A 98 14.382 13.649 1.774 1.00 0.00 H new ATOM 0 HD3 LYS A 98 13.170 12.468 1.317 1.00 0.00 H new ATOM 0 HE2 LYS A 98 13.795 14.430 -0.813 1.00 0.00 H new ATOM 0 HE3 LYS A 98 15.161 13.440 -0.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 13.905 12.407 -2.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 13.816 11.454 -0.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 12.493 12.413 -1.173 1.00 0.00 H new ATOM 1280 N MET A 99 9.150 15.656 1.941 1.00 0.00 N ATOM 1281 CA MET A 99 8.352 16.653 1.234 1.00 0.00 C ATOM 1282 C MET A 99 8.967 16.967 -0.124 1.00 0.00 C ATOM 1283 O MET A 99 10.156 16.739 -0.345 1.00 0.00 O ATOM 1284 CB MET A 99 8.233 17.934 2.065 1.00 0.00 C ATOM 1285 CG MET A 99 9.528 18.346 2.750 1.00 0.00 C ATOM 1286 SD MET A 99 9.353 18.501 4.540 1.00 0.00 S ATOM 1287 CE MET A 99 8.777 16.859 4.971 1.00 0.00 C ATOM 0 H MET A 99 9.441 15.935 2.878 1.00 0.00 H new ATOM 0 HA MET A 99 7.354 16.242 1.079 1.00 0.00 H new ATOM 0 HB2 MET A 99 7.901 18.746 1.418 1.00 0.00 H new ATOM 0 HB3 MET A 99 7.461 17.794 2.822 1.00 0.00 H new ATOM 0 HG2 MET A 99 10.301 17.611 2.527 1.00 0.00 H new ATOM 0 HG3 MET A 99 9.865 19.298 2.339 1.00 0.00 H new ATOM 0 HE1 MET A 99 8.438 16.853 6.007 1.00 0.00 H new ATOM 0 HE2 MET A 99 7.951 16.580 4.317 1.00 0.00 H new ATOM 0 HE3 MET A 99 9.592 16.145 4.852 1.00 0.00 H new ATOM 1297 N GLU A 100 8.150 17.482 -1.038 1.00 0.00 N ATOM 1298 CA GLU A 100 8.624 17.810 -2.377 1.00 0.00 C ATOM 1299 C GLU A 100 9.181 16.567 -3.061 1.00 0.00 C ATOM 1300 O GLU A 100 10.346 16.526 -3.455 1.00 0.00 O ATOM 1301 CB GLU A 100 9.697 18.900 -2.311 1.00 0.00 C ATOM 1302 CG GLU A 100 9.199 20.210 -1.722 1.00 0.00 C ATOM 1303 CD GLU A 100 8.226 20.927 -2.639 1.00 0.00 C ATOM 1304 OE1 GLU A 100 8.688 21.666 -3.534 1.00 0.00 O ATOM 1305 OE2 GLU A 100 7.003 20.752 -2.461 1.00 0.00 O ATOM 0 H GLU A 100 7.162 17.680 -0.877 1.00 0.00 H new ATOM 0 HA GLU A 100 7.782 18.183 -2.960 1.00 0.00 H new ATOM 0 HB2 GLU A 100 10.534 18.538 -1.714 1.00 0.00 H new ATOM 0 HB3 GLU A 100 10.078 19.085 -3.316 1.00 0.00 H new ATOM 0 HG2 GLU A 100 8.714 20.014 -0.766 1.00 0.00 H new ATOM 0 HG3 GLU A 100 10.050 20.861 -1.520 1.00 0.00 H new ATOM 1312 N GLY A 101 8.336 15.550 -3.191 1.00 0.00 N ATOM 1313 CA GLY A 101 8.746 14.313 -3.818 1.00 0.00 C ATOM 1314 C GLY A 101 7.561 13.460 -4.206 1.00 0.00 C ATOM 1315 O GLY A 101 6.972 12.777 -3.368 1.00 0.00 O ATOM 0 H GLY A 101 7.368 15.564 -2.870 1.00 0.00 H new ATOM 0 HA2 GLY A 101 9.340 14.535 -4.705 1.00 0.00 H new ATOM 0 HA3 GLY A 101 9.387 13.755 -3.136 1.00 0.00 H new ATOM 1319 N THR A 102 7.203 13.510 -5.481 1.00 0.00 N ATOM 1320 CA THR A 102 6.070 12.745 -5.985 1.00 0.00 C ATOM 1321 C THR A 102 6.389 11.255 -6.005 1.00 0.00 C ATOM 1322 O THR A 102 7.219 10.794 -6.789 1.00 0.00 O ATOM 1323 CB THR A 102 5.695 13.217 -7.392 1.00 0.00 C ATOM 1324 OG1 THR A 102 5.909 14.610 -7.528 1.00 0.00 O ATOM 1325 CG2 THR A 102 4.252 12.936 -7.752 1.00 0.00 C ATOM 0 H THR A 102 7.680 14.072 -6.186 1.00 0.00 H new ATOM 0 HA THR A 102 5.225 12.909 -5.317 1.00 0.00 H new ATOM 0 HB THR A 102 6.338 12.652 -8.067 1.00 0.00 H new ATOM 0 HG1 THR A 102 5.665 14.891 -8.434 1.00 0.00 H new ATOM 0 HG21 THR A 102 4.052 13.295 -8.761 1.00 0.00 H new ATOM 0 HG22 THR A 102 4.068 11.863 -7.706 1.00 0.00 H new ATOM 0 HG23 THR A 102 3.595 13.447 -7.048 1.00 0.00 H new ATOM 1333 N VAL A 103 5.723 10.509 -5.130 1.00 0.00 N ATOM 1334 CA VAL A 103 5.927 9.071 -5.031 1.00 0.00 C ATOM 1335 C VAL A 103 4.901 8.318 -5.875 1.00 0.00 C ATOM 1336 O VAL A 103 3.708 8.331 -5.577 1.00 0.00 O ATOM 1337 CB VAL A 103 5.830 8.600 -3.564 1.00 0.00 C ATOM 1338 CG1 VAL A 103 5.988 7.088 -3.460 1.00 0.00 C ATOM 1339 CG2 VAL A 103 6.868 9.307 -2.709 1.00 0.00 C ATOM 0 H VAL A 103 5.034 10.881 -4.476 1.00 0.00 H new ATOM 0 HA VAL A 103 6.927 8.854 -5.408 1.00 0.00 H new ATOM 0 HB VAL A 103 4.839 8.859 -3.192 1.00 0.00 H new ATOM 0 HG11 VAL A 103 5.915 6.786 -2.415 1.00 0.00 H new ATOM 0 HG12 VAL A 103 5.201 6.600 -4.035 1.00 0.00 H new ATOM 0 HG13 VAL A 103 6.961 6.796 -3.855 1.00 0.00 H new ATOM 0 HG21 VAL A 103 6.785 8.963 -1.678 1.00 0.00 H new ATOM 0 HG22 VAL A 103 7.865 9.083 -3.088 1.00 0.00 H new ATOM 0 HG23 VAL A 103 6.699 10.383 -2.747 1.00 0.00 H new ATOM 1349 N SER A 104 5.378 7.660 -6.928 1.00 0.00 N ATOM 1350 CA SER A 104 4.503 6.899 -7.811 1.00 0.00 C ATOM 1351 C SER A 104 4.263 5.505 -7.249 1.00 0.00 C ATOM 1352 O SER A 104 5.149 4.652 -7.275 1.00 0.00 O ATOM 1353 CB SER A 104 5.109 6.803 -9.212 1.00 0.00 C ATOM 1354 OG SER A 104 4.099 6.769 -10.205 1.00 0.00 O ATOM 0 H SER A 104 6.364 7.639 -7.189 1.00 0.00 H new ATOM 0 HA SER A 104 3.547 7.419 -7.878 1.00 0.00 H new ATOM 0 HB2 SER A 104 5.766 7.655 -9.386 1.00 0.00 H new ATOM 0 HB3 SER A 104 5.724 5.906 -9.284 1.00 0.00 H new ATOM 0 HG SER A 104 4.513 6.709 -11.091 1.00 0.00 H new ATOM 1360 N LEU A 105 3.062 5.284 -6.726 1.00 0.00 N ATOM 1361 CA LEU A 105 2.710 3.999 -6.140 1.00 0.00 C ATOM 1362 C LEU A 105 1.712 3.242 -7.007 1.00 0.00 C ATOM 1363 O LEU A 105 0.543 3.617 -7.097 1.00 0.00 O ATOM 1364 CB LEU A 105 2.126 4.205 -4.743 1.00 0.00 C ATOM 1365 CG LEU A 105 2.927 5.148 -3.841 1.00 0.00 C ATOM 1366 CD1 LEU A 105 2.197 6.470 -3.666 1.00 0.00 C ATOM 1367 CD2 LEU A 105 3.193 4.500 -2.490 1.00 0.00 C ATOM 0 H LEU A 105 2.316 5.979 -6.697 1.00 0.00 H new ATOM 0 HA LEU A 105 3.620 3.403 -6.074 1.00 0.00 H new ATOM 0 HB2 LEU A 105 1.113 4.595 -4.843 1.00 0.00 H new ATOM 0 HB3 LEU A 105 2.048 3.235 -4.251 1.00 0.00 H new ATOM 0 HG LEU A 105 3.886 5.347 -4.320 1.00 0.00 H new ATOM 0 HD11 LEU A 105 2.782 7.126 -3.022 1.00 0.00 H new ATOM 0 HD12 LEU A 105 2.062 6.943 -4.639 1.00 0.00 H new ATOM 0 HD13 LEU A 105 1.223 6.290 -3.212 1.00 0.00 H new ATOM 0 HD21 LEU A 105 3.763 5.186 -1.864 1.00 0.00 H new ATOM 0 HD22 LEU A 105 2.245 4.268 -2.005 1.00 0.00 H new ATOM 0 HD23 LEU A 105 3.762 3.581 -2.633 1.00 0.00 H new ATOM 1379 N LEU A 106 2.177 2.162 -7.627 1.00 0.00 N ATOM 1380 CA LEU A 106 1.317 1.340 -8.465 1.00 0.00 C ATOM 1381 C LEU A 106 0.486 0.408 -7.592 1.00 0.00 C ATOM 1382 O LEU A 106 1.022 -0.493 -6.950 1.00 0.00 O ATOM 1383 CB LEU A 106 2.155 0.526 -9.454 1.00 0.00 C ATOM 1384 CG LEU A 106 1.353 -0.359 -10.409 1.00 0.00 C ATOM 1385 CD1 LEU A 106 1.055 0.383 -11.702 1.00 0.00 C ATOM 1386 CD2 LEU A 106 2.105 -1.651 -10.695 1.00 0.00 C ATOM 0 H LEU A 106 3.142 1.838 -7.564 1.00 0.00 H new ATOM 0 HA LEU A 106 0.650 1.991 -9.030 1.00 0.00 H new ATOM 0 HB2 LEU A 106 2.762 1.213 -10.043 1.00 0.00 H new ATOM 0 HB3 LEU A 106 2.843 -0.104 -8.891 1.00 0.00 H new ATOM 0 HG LEU A 106 0.406 -0.610 -9.932 1.00 0.00 H new ATOM 0 HD11 LEU A 106 0.484 -0.263 -12.369 1.00 0.00 H new ATOM 0 HD12 LEU A 106 0.476 1.280 -11.482 1.00 0.00 H new ATOM 0 HD13 LEU A 106 1.991 0.665 -12.184 1.00 0.00 H new ATOM 0 HD21 LEU A 106 1.520 -2.269 -11.376 1.00 0.00 H new ATOM 0 HD22 LEU A 106 3.067 -1.419 -11.151 1.00 0.00 H new ATOM 0 HD23 LEU A 106 2.267 -2.192 -9.763 1.00 0.00 H new ATOM 1398 N VAL A 107 -0.821 0.641 -7.556 1.00 0.00 N ATOM 1399 CA VAL A 107 -1.712 -0.172 -6.740 1.00 0.00 C ATOM 1400 C VAL A 107 -2.514 -1.153 -7.588 1.00 0.00 C ATOM 1401 O VAL A 107 -2.442 -1.133 -8.816 1.00 0.00 O ATOM 1402 CB VAL A 107 -2.687 0.711 -5.935 1.00 0.00 C ATOM 1403 CG1 VAL A 107 -1.921 1.722 -5.096 1.00 0.00 C ATOM 1404 CG2 VAL A 107 -3.669 1.416 -6.862 1.00 0.00 C ATOM 0 H VAL A 107 -1.285 1.383 -8.080 1.00 0.00 H new ATOM 0 HA VAL A 107 -1.081 -0.735 -6.053 1.00 0.00 H new ATOM 0 HB VAL A 107 -3.256 0.068 -5.264 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.625 2.337 -4.535 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.265 1.196 -4.402 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.324 2.359 -5.749 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.347 2.033 -6.272 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -3.120 2.046 -7.562 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.243 0.674 -7.416 1.00 0.00 H new ATOM 1414 N PHE A 108 -3.277 -2.010 -6.919 1.00 0.00 N ATOM 1415 CA PHE A 108 -4.098 -2.999 -7.604 1.00 0.00 C ATOM 1416 C PHE A 108 -5.492 -3.065 -6.988 1.00 0.00 C ATOM 1417 O PHE A 108 -5.660 -3.515 -5.855 1.00 0.00 O ATOM 1418 CB PHE A 108 -3.436 -4.375 -7.541 1.00 0.00 C ATOM 1419 CG PHE A 108 -4.176 -5.432 -8.310 1.00 0.00 C ATOM 1420 CD1 PHE A 108 -4.314 -5.337 -9.686 1.00 0.00 C ATOM 1421 CD2 PHE A 108 -4.733 -6.520 -7.658 1.00 0.00 C ATOM 1422 CE1 PHE A 108 -4.995 -6.307 -10.397 1.00 0.00 C ATOM 1423 CE2 PHE A 108 -5.414 -7.494 -8.363 1.00 0.00 C ATOM 1424 CZ PHE A 108 -5.545 -7.387 -9.735 1.00 0.00 C ATOM 0 H PHE A 108 -3.343 -2.039 -5.902 1.00 0.00 H new ATOM 0 HA PHE A 108 -4.193 -2.697 -8.647 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -2.420 -4.299 -7.929 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -3.357 -4.684 -6.499 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -3.884 -4.495 -10.209 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -4.634 -6.608 -6.586 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -5.097 -6.221 -11.469 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -5.843 -8.338 -7.843 1.00 0.00 H new ATOM 0 HZ PHE A 108 -6.077 -8.147 -10.288 1.00 0.00 H new ATOM 1434 N ARG A 109 -6.489 -2.611 -7.742 1.00 0.00 N ATOM 1435 CA ARG A 109 -7.867 -2.619 -7.268 1.00 0.00 C ATOM 1436 C ARG A 109 -8.542 -3.951 -7.574 1.00 0.00 C ATOM 1437 O ARG A 109 -8.324 -4.540 -8.632 1.00 0.00 O ATOM 1438 CB ARG A 109 -8.657 -1.476 -7.907 1.00 0.00 C ATOM 1439 CG ARG A 109 -9.776 -0.943 -7.026 1.00 0.00 C ATOM 1440 CD ARG A 109 -10.460 0.259 -7.659 1.00 0.00 C ATOM 1441 NE ARG A 109 -9.696 1.490 -7.466 1.00 0.00 N ATOM 1442 CZ ARG A 109 -9.737 2.224 -6.358 1.00 0.00 C ATOM 1443 NH1 ARG A 109 -10.495 1.852 -5.334 1.00 0.00 N ATOM 1444 NH2 ARG A 109 -9.012 3.332 -6.272 1.00 0.00 N ATOM 0 H ARG A 109 -6.368 -2.234 -8.682 1.00 0.00 H new ATOM 0 HA ARG A 109 -7.851 -2.480 -6.187 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -7.973 -0.661 -8.144 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -9.081 -1.821 -8.850 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -10.510 -1.730 -6.852 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -9.372 -0.663 -6.053 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -10.594 0.079 -8.726 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -11.454 0.378 -7.228 1.00 0.00 H new ATOM 0 HE ARG A 109 -9.095 1.805 -8.227 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -11.050 0.999 -5.394 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -10.522 2.419 -4.487 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -8.425 3.619 -7.055 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -9.042 3.896 -5.423 1.00 0.00 H new