USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 497 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 17 GLN : amide:sc= -5.05! C(o=-5.1!,f=-9.8!) USER MOD Set 1.2: A 18 SER OG : rot 120:sc=-0.00414! USER MOD Single : A 5 ASN : amide:sc= -1.82! C(o=-1.8!,f=-13!) USER MOD Single : A 7 LYS NZ :NH3+ 157:sc= -0.146 (180deg=-0.833) USER MOD Single : A 12 LYS NZ :NH3+ -149:sc= 0.387 (180deg=-1.47!) USER MOD Single : A 13 LYS NZ :NH3+ -127:sc= 1.16 (180deg=-1.67!) USER MOD Single : A 14 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.00295) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0.0639 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 THR OG1 : rot 99:sc= 0.872 USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=-0.064) USER MOD Single : A 36 LYS NZ :NH3+ 164:sc= -0.0977 (180deg=-0.732) USER MOD Single : A 37 ASN : amide:sc= -1.68! X(o=-1.7!,f=-1.7) USER MOD Single : A 38 LYS NZ :NH3+ -147:sc= -0.214 (180deg=-0.9) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.438 K(o=-0.44,f=-3.1!) USER MOD Single : A 42 SER OG : rot -170:sc= -0.202 USER MOD Single : A 44 GLN : amide:sc= -0.943 K(o=-0.94,f=-12!) USER MOD Single : A 48 LYS NZ :NH3+ 158:sc= 0.338 (180deg=-1.5) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot -130:sc= 0.199 USER MOD Single : A 54 ASN : amide:sc= -0.0116 X(o=-0.012,f=-0.13) USER MOD Single : A 55 THR OG1 : rot 180:sc= -1.13 USER MOD ----------------------------------------------------------------- ATOM 70 N ASN A 5 -5.970 -3.389 10.224 1.00 0.00 N ATOM 71 CA ASN A 5 -4.540 -3.128 10.131 1.00 0.00 C ATOM 72 C ASN A 5 -3.990 -3.760 8.858 1.00 0.00 C ATOM 73 O ASN A 5 -4.639 -4.623 8.267 1.00 0.00 O ATOM 74 CB ASN A 5 -3.819 -3.690 11.371 1.00 0.00 C ATOM 75 CG ASN A 5 -2.320 -3.429 11.291 1.00 0.00 C ATOM 76 OD1 ASN A 5 -1.615 -4.114 10.550 1.00 0.00 O ATOM 77 ND2 ASN A 5 -1.790 -2.480 11.997 1.00 0.00 N ATOM 0 HA ASN A 5 -4.369 -2.052 10.093 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -4.225 -3.231 12.272 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -4.002 -4.762 11.449 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -0.788 -2.300 11.939 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -2.375 -1.913 12.611 1.00 0.00 H new ATOM 84 N LEU A 6 -2.767 -3.402 8.493 1.00 0.00 N ATOM 85 CA LEU A 6 -2.108 -3.984 7.325 1.00 0.00 C ATOM 86 C LEU A 6 -1.956 -5.473 7.511 1.00 0.00 C ATOM 87 O LEU A 6 -1.977 -6.244 6.549 1.00 0.00 O ATOM 88 CB LEU A 6 -0.735 -3.345 7.098 1.00 0.00 C ATOM 89 CG LEU A 6 -0.907 -1.885 6.661 1.00 0.00 C ATOM 90 CD1 LEU A 6 0.455 -1.184 6.673 1.00 0.00 C ATOM 91 CD2 LEU A 6 -1.468 -1.858 5.239 1.00 0.00 C ATOM 0 H LEU A 6 -2.207 -2.709 8.989 1.00 0.00 H new ATOM 0 HA LEU A 6 -2.727 -3.789 6.449 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -0.146 -3.393 8.014 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.187 -3.900 6.337 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.586 -1.374 7.344 1.00 0.00 H new ATOM 0 HD11 LEU A 6 0.333 -0.146 6.362 1.00 0.00 H new ATOM 0 HD12 LEU A 6 0.871 -1.215 7.680 1.00 0.00 H new ATOM 0 HD13 LEU A 6 1.131 -1.691 5.985 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.595 -0.824 4.917 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.777 -2.366 4.566 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.433 -2.365 5.219 1.00 0.00 H new ATOM 103 N LYS A 7 -1.842 -5.869 8.757 1.00 0.00 N ATOM 104 CA LYS A 7 -1.698 -7.256 9.125 1.00 0.00 C ATOM 105 C LYS A 7 -2.625 -8.146 8.300 1.00 0.00 C ATOM 106 O LYS A 7 -2.204 -9.184 7.774 1.00 0.00 O ATOM 107 CB LYS A 7 -2.042 -7.379 10.626 1.00 0.00 C ATOM 108 CG LYS A 7 -2.351 -8.827 11.001 1.00 0.00 C ATOM 109 CD LYS A 7 -2.560 -8.943 12.513 1.00 0.00 C ATOM 110 CE LYS A 7 -3.065 -10.350 12.840 1.00 0.00 C ATOM 111 NZ LYS A 7 -2.318 -11.351 12.034 1.00 0.00 N ATOM 0 H LYS A 7 -1.847 -5.229 9.552 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.677 -7.585 8.931 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.207 -7.015 11.225 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.900 -6.748 10.859 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -3.244 -9.165 10.475 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -1.532 -9.475 10.688 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -1.625 -8.747 13.038 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -3.279 -8.197 12.852 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -2.936 -10.555 13.903 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -4.132 -10.422 12.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -2.361 -12.277 12.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -2.744 -11.423 11.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.325 -11.054 11.945 1.00 0.00 H new ATOM 125 N LEU A 8 -3.877 -7.752 8.203 1.00 0.00 N ATOM 126 CA LEU A 8 -4.871 -8.535 7.481 1.00 0.00 C ATOM 127 C LEU A 8 -4.552 -8.640 6.003 1.00 0.00 C ATOM 128 O LEU A 8 -4.747 -9.687 5.389 1.00 0.00 O ATOM 129 CB LEU A 8 -6.231 -7.890 7.644 1.00 0.00 C ATOM 130 CG LEU A 8 -6.687 -8.019 9.095 1.00 0.00 C ATOM 131 CD1 LEU A 8 -7.933 -7.161 9.292 1.00 0.00 C ATOM 132 CD2 LEU A 8 -7.031 -9.483 9.397 1.00 0.00 C ATOM 0 H LEU A 8 -4.237 -6.891 8.615 1.00 0.00 H new ATOM 0 HA LEU A 8 -4.865 -9.541 7.900 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.183 -6.839 7.359 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.953 -8.367 6.981 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.892 -7.690 9.764 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -8.271 -7.243 10.325 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -7.697 -6.121 9.069 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -8.722 -7.506 8.623 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.356 -9.574 10.433 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -7.832 -9.813 8.735 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -6.150 -10.104 9.238 1.00 0.00 H new ATOM 144 N ILE A 9 -4.143 -7.530 5.414 1.00 0.00 N ATOM 145 CA ILE A 9 -3.926 -7.484 3.984 1.00 0.00 C ATOM 146 C ILE A 9 -2.626 -8.128 3.560 1.00 0.00 C ATOM 147 O ILE A 9 -2.489 -8.563 2.416 1.00 0.00 O ATOM 148 CB ILE A 9 -4.117 -6.082 3.407 1.00 0.00 C ATOM 149 CG1 ILE A 9 -3.159 -5.091 4.052 1.00 0.00 C ATOM 150 CG2 ILE A 9 -5.561 -5.619 3.657 1.00 0.00 C ATOM 151 CD1 ILE A 9 -3.280 -3.761 3.319 1.00 0.00 C ATOM 0 H ILE A 9 -3.956 -6.655 5.903 1.00 0.00 H new ATOM 0 HA ILE A 9 -4.710 -8.099 3.542 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.912 -6.121 2.337 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.397 -4.965 5.108 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -2.136 -5.462 3.998 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -5.699 -4.619 3.246 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -6.253 -6.309 3.174 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -5.757 -5.601 4.729 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.600 -3.036 3.767 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -3.023 -3.900 2.269 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -4.304 -3.395 3.396 1.00 0.00 H new ATOM 163 N ARG A 10 -1.697 -8.254 4.490 1.00 0.00 N ATOM 164 CA ARG A 10 -0.433 -8.908 4.182 1.00 0.00 C ATOM 165 C ARG A 10 -0.720 -10.338 3.747 1.00 0.00 C ATOM 166 O ARG A 10 -0.051 -10.886 2.875 1.00 0.00 O ATOM 167 CB ARG A 10 0.451 -8.983 5.421 1.00 0.00 C ATOM 168 CG ARG A 10 0.871 -7.592 5.891 1.00 0.00 C ATOM 169 CD ARG A 10 1.799 -7.751 7.095 1.00 0.00 C ATOM 170 NE ARG A 10 1.171 -8.604 8.105 1.00 0.00 N ATOM 171 CZ ARG A 10 1.759 -8.858 9.272 1.00 0.00 C ATOM 172 NH1 ARG A 10 2.859 -8.232 9.590 1.00 0.00 N ATOM 173 NH2 ARG A 10 1.236 -9.728 10.089 1.00 0.00 N ATOM 0 H ARG A 10 -1.788 -7.920 5.449 1.00 0.00 H new ATOM 0 HA ARG A 10 0.071 -8.338 3.401 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -0.085 -9.493 6.222 1.00 0.00 H new ATOM 0 HB3 ARG A 10 1.338 -9.578 5.202 1.00 0.00 H new ATOM 0 HG2 ARG A 10 1.379 -7.058 5.088 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -0.005 -7.002 6.162 1.00 0.00 H new ATOM 0 HD2 ARG A 10 2.747 -8.186 6.778 1.00 0.00 H new ATOM 0 HD3 ARG A 10 2.024 -6.774 7.522 1.00 0.00 H new ATOM 0 HE ARG A 10 0.258 -9.015 7.909 1.00 0.00 H new ATOM 0 HH11 ARG A 10 3.264 -7.552 8.946 1.00 0.00 H new ATOM 0 HH12 ARG A 10 3.314 -8.422 10.483 1.00 0.00 H new ATOM 0 HH21 ARG A 10 0.376 -10.214 9.834 1.00 0.00 H new ATOM 0 HH22 ARG A 10 1.686 -9.923 10.983 1.00 0.00 H new ATOM 187 N GLU A 11 -1.703 -10.939 4.393 1.00 0.00 N ATOM 188 CA GLU A 11 -2.052 -12.319 4.141 1.00 0.00 C ATOM 189 C GLU A 11 -2.449 -12.512 2.681 1.00 0.00 C ATOM 190 O GLU A 11 -2.134 -13.534 2.070 1.00 0.00 O ATOM 191 CB GLU A 11 -3.201 -12.747 5.058 1.00 0.00 C ATOM 192 CG GLU A 11 -2.757 -12.685 6.536 1.00 0.00 C ATOM 193 CD GLU A 11 -1.640 -13.678 6.828 1.00 0.00 C ATOM 194 OE1 GLU A 11 -1.506 -14.628 6.097 1.00 0.00 O ATOM 195 OE2 GLU A 11 -0.943 -13.479 7.799 1.00 0.00 O ATOM 0 H GLU A 11 -2.277 -10.484 5.103 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.181 -12.940 4.349 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.062 -12.097 4.902 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.517 -13.760 4.808 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.419 -11.676 6.773 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.610 -12.895 7.182 1.00 0.00 H new ATOM 202 N LYS A 12 -3.104 -11.510 2.109 1.00 0.00 N ATOM 203 CA LYS A 12 -3.520 -11.583 0.714 1.00 0.00 C ATOM 204 C LYS A 12 -2.305 -11.753 -0.171 1.00 0.00 C ATOM 205 O LYS A 12 -2.349 -12.451 -1.181 1.00 0.00 O ATOM 206 CB LYS A 12 -4.288 -10.330 0.288 1.00 0.00 C ATOM 207 CG LYS A 12 -5.620 -10.236 1.050 1.00 0.00 C ATOM 208 CD LYS A 12 -6.472 -9.113 0.447 1.00 0.00 C ATOM 209 CE LYS A 12 -5.808 -7.749 0.681 1.00 0.00 C ATOM 210 NZ LYS A 12 -6.524 -6.719 -0.102 1.00 0.00 N ATOM 0 H LYS A 12 -3.357 -10.644 2.584 1.00 0.00 H new ATOM 0 HA LYS A 12 -4.185 -12.440 0.608 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -3.686 -9.442 0.483 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.476 -10.358 -0.785 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -6.154 -11.185 0.991 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.435 -10.040 2.106 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.603 -9.282 -0.622 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -7.466 -9.122 0.895 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -5.830 -7.497 1.741 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -4.760 -7.786 0.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -5.857 -5.973 -0.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.939 -7.154 -0.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -7.280 -6.304 0.479 1.00 0.00 H new ATOM 224 N LYS A 13 -1.220 -11.104 0.211 1.00 0.00 N ATOM 225 CA LYS A 13 0.032 -11.209 -0.524 1.00 0.00 C ATOM 226 C LYS A 13 0.686 -12.561 -0.341 1.00 0.00 C ATOM 227 O LYS A 13 1.788 -12.790 -0.871 1.00 0.00 O ATOM 228 CB LYS A 13 1.011 -10.082 -0.168 1.00 0.00 C ATOM 229 CG LYS A 13 1.134 -9.127 -1.356 1.00 0.00 C ATOM 230 CD LYS A 13 1.999 -9.798 -2.447 1.00 0.00 C ATOM 231 CE LYS A 13 3.451 -9.966 -1.951 1.00 0.00 C ATOM 232 NZ LYS A 13 3.713 -11.403 -1.623 1.00 0.00 N ATOM 0 H LYS A 13 -1.179 -10.496 1.029 1.00 0.00 H new ATOM 0 HA LYS A 13 -0.226 -11.102 -1.578 1.00 0.00 H new ATOM 0 HB2 LYS A 13 0.659 -9.543 0.712 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.987 -10.498 0.082 1.00 0.00 H new ATOM 0 HG2 LYS A 13 0.147 -8.887 -1.751 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.587 -8.188 -1.040 1.00 0.00 H new ATOM 0 HD2 LYS A 13 1.581 -10.771 -2.705 1.00 0.00 H new ATOM 0 HD3 LYS A 13 1.985 -9.194 -3.354 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.148 -9.626 -2.717 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.618 -9.346 -1.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.090 -11.475 -0.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 2.826 -11.942 -1.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.406 -11.792 -2.294 1.00 0.00 H new ATOM 246 N LYS A 14 0.066 -13.419 0.480 1.00 0.00 N ATOM 247 CA LYS A 14 0.618 -14.735 0.777 1.00 0.00 C ATOM 248 C LYS A 14 2.076 -14.578 1.151 1.00 0.00 C ATOM 249 O LYS A 14 2.974 -15.027 0.428 1.00 0.00 O ATOM 250 CB LYS A 14 0.476 -15.669 -0.438 1.00 0.00 C ATOM 251 CG LYS A 14 -1.009 -15.822 -0.828 1.00 0.00 C ATOM 252 CD LYS A 14 -1.798 -16.483 0.320 1.00 0.00 C ATOM 253 CE LYS A 14 -3.133 -17.031 -0.210 1.00 0.00 C ATOM 254 NZ LYS A 14 -2.911 -18.352 -0.852 1.00 0.00 N ATOM 0 H LYS A 14 -0.818 -13.219 0.948 1.00 0.00 H new ATOM 0 HA LYS A 14 0.070 -15.180 1.607 1.00 0.00 H new ATOM 0 HB2 LYS A 14 1.040 -15.269 -1.280 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.900 -16.646 -0.205 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.435 -14.845 -1.056 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.094 -16.425 -1.732 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -1.212 -17.291 0.758 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.982 -15.757 1.112 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.848 -17.128 0.607 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -3.564 -16.334 -0.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -3.659 -18.527 -1.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.985 -18.357 -1.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.934 -19.098 -0.128 1.00 0.00 H new ATOM 268 N ILE A 15 2.314 -13.817 2.194 1.00 0.00 N ATOM 269 CA ILE A 15 3.655 -13.431 2.535 1.00 0.00 C ATOM 270 C ILE A 15 4.314 -14.485 3.390 1.00 0.00 C ATOM 271 O ILE A 15 3.797 -14.857 4.455 1.00 0.00 O ATOM 272 CB ILE A 15 3.629 -12.081 3.268 1.00 0.00 C ATOM 273 CG1 ILE A 15 3.047 -11.015 2.341 1.00 0.00 C ATOM 274 CG2 ILE A 15 5.039 -11.663 3.692 1.00 0.00 C ATOM 275 CD1 ILE A 15 2.873 -9.713 3.116 1.00 0.00 C ATOM 0 H ILE A 15 1.593 -13.455 2.819 1.00 0.00 H new ATOM 0 HA ILE A 15 4.238 -13.330 1.620 1.00 0.00 H new ATOM 0 HB ILE A 15 3.012 -12.183 4.161 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.708 -10.858 1.488 1.00 0.00 H new ATOM 0 HG13 ILE A 15 2.087 -11.346 1.944 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.994 -10.704 4.209 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.456 -12.416 4.360 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.672 -11.570 2.809 1.00 0.00 H new ATOM 0 HD11 ILE A 15 2.458 -8.950 2.457 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.196 -9.876 3.954 1.00 0.00 H new ATOM 0 HD13 ILE A 15 3.841 -9.381 3.491 1.00 0.00 H new ATOM 287 N SER A 16 5.462 -14.948 2.932 1.00 0.00 N ATOM 288 CA SER A 16 6.243 -15.905 3.670 1.00 0.00 C ATOM 289 C SER A 16 7.013 -15.173 4.752 1.00 0.00 C ATOM 290 O SER A 16 7.308 -13.978 4.603 1.00 0.00 O ATOM 291 CB SER A 16 7.209 -16.633 2.732 1.00 0.00 C ATOM 292 OG SER A 16 6.510 -17.017 1.544 1.00 0.00 O ATOM 0 H SER A 16 5.872 -14.669 2.041 1.00 0.00 H new ATOM 0 HA SER A 16 5.586 -16.646 4.124 1.00 0.00 H new ATOM 0 HB2 SER A 16 8.049 -15.985 2.481 1.00 0.00 H new ATOM 0 HB3 SER A 16 7.621 -17.513 3.226 1.00 0.00 H new ATOM 0 HG SER A 16 7.125 -17.482 0.939 1.00 0.00 H new ATOM 298 N GLN A 17 7.376 -15.868 5.811 1.00 0.00 N ATOM 299 CA GLN A 17 8.135 -15.233 6.874 1.00 0.00 C ATOM 300 C GLN A 17 9.355 -14.540 6.287 1.00 0.00 C ATOM 301 O GLN A 17 9.701 -13.422 6.687 1.00 0.00 O ATOM 302 CB GLN A 17 8.557 -16.239 7.971 1.00 0.00 C ATOM 303 CG GLN A 17 8.604 -17.670 7.421 1.00 0.00 C ATOM 304 CD GLN A 17 9.464 -17.718 6.179 1.00 0.00 C ATOM 305 OE1 GLN A 17 8.943 -17.737 5.068 1.00 0.00 O ATOM 306 NE2 GLN A 17 10.752 -17.703 6.290 1.00 0.00 N ATOM 0 H GLN A 17 7.164 -16.855 5.960 1.00 0.00 H new ATOM 0 HA GLN A 17 7.490 -14.495 7.351 1.00 0.00 H new ATOM 0 HB2 GLN A 17 9.536 -15.965 8.363 1.00 0.00 H new ATOM 0 HB3 GLN A 17 7.855 -16.189 8.804 1.00 0.00 H new ATOM 0 HG2 GLN A 17 9.004 -18.346 8.177 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.596 -18.012 7.189 1.00 0.00 H new ATOM 0 HE21 GLN A 17 11.184 -17.687 7.214 1.00 0.00 H new ATOM 0 HE22 GLN A 17 11.336 -17.707 5.454 1.00 0.00 H new ATOM 315 N SER A 18 9.970 -15.178 5.300 1.00 0.00 N ATOM 316 CA SER A 18 11.106 -14.597 4.625 1.00 0.00 C ATOM 317 C SER A 18 10.695 -13.298 3.936 1.00 0.00 C ATOM 318 O SER A 18 11.353 -12.271 4.094 1.00 0.00 O ATOM 319 CB SER A 18 11.662 -15.582 3.598 1.00 0.00 C ATOM 320 OG SER A 18 11.871 -16.843 4.236 1.00 0.00 O ATOM 0 H SER A 18 9.696 -16.098 4.954 1.00 0.00 H new ATOM 0 HA SER A 18 11.881 -14.377 5.359 1.00 0.00 H new ATOM 0 HB2 SER A 18 10.967 -15.691 2.765 1.00 0.00 H new ATOM 0 HB3 SER A 18 12.599 -15.208 3.185 1.00 0.00 H new ATOM 0 HG SER A 18 11.328 -17.528 3.793 1.00 0.00 H new ATOM 326 N GLU A 19 9.544 -13.316 3.266 1.00 0.00 N ATOM 327 CA GLU A 19 9.036 -12.113 2.631 1.00 0.00 C ATOM 328 C GLU A 19 8.679 -11.068 3.679 1.00 0.00 C ATOM 329 O GLU A 19 9.010 -9.892 3.539 1.00 0.00 O ATOM 330 CB GLU A 19 7.846 -12.412 1.692 1.00 0.00 C ATOM 331 CG GLU A 19 7.436 -11.113 0.981 1.00 0.00 C ATOM 332 CD GLU A 19 6.388 -11.356 -0.092 1.00 0.00 C ATOM 333 OE1 GLU A 19 5.409 -12.007 0.185 1.00 0.00 O ATOM 334 OE2 GLU A 19 6.578 -10.883 -1.186 1.00 0.00 O ATOM 0 H GLU A 19 8.956 -14.142 3.152 1.00 0.00 H new ATOM 0 HA GLU A 19 9.829 -11.706 2.004 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.124 -13.171 0.961 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.007 -12.811 2.262 1.00 0.00 H new ATOM 0 HG2 GLU A 19 7.047 -10.406 1.714 1.00 0.00 H new ATOM 0 HG3 GLU A 19 8.316 -10.653 0.531 1.00 0.00 H new ATOM 341 N LEU A 20 8.092 -11.518 4.774 1.00 0.00 N ATOM 342 CA LEU A 20 7.788 -10.612 5.875 1.00 0.00 C ATOM 343 C LEU A 20 9.097 -10.026 6.407 1.00 0.00 C ATOM 344 O LEU A 20 9.209 -8.819 6.629 1.00 0.00 O ATOM 345 CB LEU A 20 7.002 -11.329 6.988 1.00 0.00 C ATOM 346 CG LEU A 20 6.668 -10.340 8.121 1.00 0.00 C ATOM 347 CD1 LEU A 20 5.874 -9.156 7.565 1.00 0.00 C ATOM 348 CD2 LEU A 20 5.829 -11.046 9.189 1.00 0.00 C ATOM 0 H LEU A 20 7.819 -12.489 4.927 1.00 0.00 H new ATOM 0 HA LEU A 20 7.152 -9.804 5.513 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.083 -11.752 6.581 1.00 0.00 H new ATOM 0 HB3 LEU A 20 7.588 -12.160 7.381 1.00 0.00 H new ATOM 0 HG LEU A 20 7.598 -9.980 8.560 1.00 0.00 H new ATOM 0 HD11 LEU A 20 5.642 -8.462 8.373 1.00 0.00 H new ATOM 0 HD12 LEU A 20 6.466 -8.645 6.806 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.947 -9.517 7.119 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.594 -10.345 9.989 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.904 -11.411 8.743 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.391 -11.886 9.596 1.00 0.00 H new ATOM 360 N ALA A 21 10.111 -10.874 6.519 1.00 0.00 N ATOM 361 CA ALA A 21 11.446 -10.413 6.889 1.00 0.00 C ATOM 362 C ALA A 21 12.007 -9.493 5.802 1.00 0.00 C ATOM 363 O ALA A 21 12.735 -8.541 6.091 1.00 0.00 O ATOM 364 CB ALA A 21 12.394 -11.596 7.108 1.00 0.00 C ATOM 0 H ALA A 21 10.037 -11.879 6.360 1.00 0.00 H new ATOM 0 HA ALA A 21 11.365 -9.858 7.824 1.00 0.00 H new ATOM 0 HB1 ALA A 21 13.381 -11.225 7.383 1.00 0.00 H new ATOM 0 HB2 ALA A 21 12.008 -12.228 7.908 1.00 0.00 H new ATOM 0 HB3 ALA A 21 12.468 -12.178 6.189 1.00 0.00 H new ATOM 370 N ALA A 22 11.689 -9.810 4.549 1.00 0.00 N ATOM 371 CA ALA A 22 12.190 -9.063 3.389 1.00 0.00 C ATOM 372 C ALA A 22 11.842 -7.589 3.491 1.00 0.00 C ATOM 373 O ALA A 22 12.550 -6.726 2.959 1.00 0.00 O ATOM 374 CB ALA A 22 11.606 -9.628 2.097 1.00 0.00 C ATOM 0 H ALA A 22 11.078 -10.590 4.305 1.00 0.00 H new ATOM 0 HA ALA A 22 13.275 -9.168 3.377 1.00 0.00 H new ATOM 0 HB1 ALA A 22 11.988 -9.062 1.247 1.00 0.00 H new ATOM 0 HB2 ALA A 22 11.893 -10.675 1.995 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.519 -9.551 2.125 1.00 0.00 H new ATOM 380 N LEU A 23 10.779 -7.307 4.204 1.00 0.00 N ATOM 381 CA LEU A 23 10.351 -5.945 4.439 1.00 0.00 C ATOM 382 C LEU A 23 11.430 -5.216 5.210 1.00 0.00 C ATOM 383 O LEU A 23 11.651 -4.022 5.027 1.00 0.00 O ATOM 384 CB LEU A 23 9.037 -5.938 5.232 1.00 0.00 C ATOM 385 CG LEU A 23 7.920 -6.556 4.379 1.00 0.00 C ATOM 386 CD1 LEU A 23 6.638 -6.703 5.203 1.00 0.00 C ATOM 387 CD2 LEU A 23 7.642 -5.670 3.167 1.00 0.00 C ATOM 0 H LEU A 23 10.185 -8.013 4.639 1.00 0.00 H new ATOM 0 HA LEU A 23 10.183 -5.443 3.486 1.00 0.00 H new ATOM 0 HB2 LEU A 23 9.156 -6.501 6.158 1.00 0.00 H new ATOM 0 HB3 LEU A 23 8.774 -4.918 5.511 1.00 0.00 H new ATOM 0 HG LEU A 23 8.244 -7.542 4.046 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.856 -7.142 4.584 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.828 -7.349 6.060 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.316 -5.722 5.553 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.849 -6.114 2.566 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.332 -4.681 3.503 1.00 0.00 H new ATOM 0 HD23 LEU A 23 8.547 -5.582 2.565 1.00 0.00 H new ATOM 399 N LEU A 24 12.101 -5.955 6.068 1.00 0.00 N ATOM 400 CA LEU A 24 13.161 -5.421 6.896 1.00 0.00 C ATOM 401 C LEU A 24 14.524 -5.460 6.195 1.00 0.00 C ATOM 402 O LEU A 24 15.540 -5.208 6.826 1.00 0.00 O ATOM 403 CB LEU A 24 13.223 -6.168 8.238 1.00 0.00 C ATOM 404 CG LEU A 24 12.002 -5.820 9.106 1.00 0.00 C ATOM 405 CD1 LEU A 24 11.969 -6.740 10.323 1.00 0.00 C ATOM 406 CD2 LEU A 24 12.089 -4.357 9.586 1.00 0.00 C ATOM 0 H LEU A 24 11.925 -6.949 6.211 1.00 0.00 H new ATOM 0 HA LEU A 24 12.927 -4.373 7.082 1.00 0.00 H new ATOM 0 HB2 LEU A 24 13.256 -7.243 8.061 1.00 0.00 H new ATOM 0 HB3 LEU A 24 14.139 -5.903 8.766 1.00 0.00 H new ATOM 0 HG LEU A 24 11.098 -5.950 8.512 1.00 0.00 H new ATOM 0 HD11 LEU A 24 11.105 -6.496 10.940 1.00 0.00 H new ATOM 0 HD12 LEU A 24 11.898 -7.777 9.994 1.00 0.00 H new ATOM 0 HD13 LEU A 24 12.880 -6.606 10.906 1.00 0.00 H new ATOM 0 HD21 LEU A 24 11.219 -4.123 10.199 1.00 0.00 H new ATOM 0 HD22 LEU A 24 12.996 -4.221 10.175 1.00 0.00 H new ATOM 0 HD23 LEU A 24 12.114 -3.692 8.723 1.00 0.00 H new ATOM 418 N GLU A 25 14.542 -5.743 4.892 1.00 0.00 N ATOM 419 CA GLU A 25 15.805 -5.731 4.130 1.00 0.00 C ATOM 420 C GLU A 25 16.465 -4.362 4.165 1.00 0.00 C ATOM 421 O GLU A 25 17.657 -4.227 3.866 1.00 0.00 O ATOM 422 CB GLU A 25 15.623 -6.209 2.691 1.00 0.00 C ATOM 423 CG GLU A 25 15.392 -7.722 2.693 1.00 0.00 C ATOM 424 CD GLU A 25 16.646 -8.427 3.155 1.00 0.00 C ATOM 425 OE1 GLU A 25 17.680 -8.197 2.550 1.00 0.00 O ATOM 426 OE2 GLU A 25 16.571 -9.184 4.095 1.00 0.00 O ATOM 0 H GLU A 25 13.715 -5.980 4.344 1.00 0.00 H new ATOM 0 HA GLU A 25 16.468 -6.441 4.624 1.00 0.00 H new ATOM 0 HB2 GLU A 25 14.777 -5.700 2.229 1.00 0.00 H new ATOM 0 HB3 GLU A 25 16.504 -5.964 2.099 1.00 0.00 H new ATOM 0 HG2 GLU A 25 14.559 -7.972 3.351 1.00 0.00 H new ATOM 0 HG3 GLU A 25 15.121 -8.060 1.693 1.00 0.00 H new ATOM 433 N VAL A 26 15.716 -3.371 4.603 1.00 0.00 N ATOM 434 CA VAL A 26 16.237 -2.034 4.766 1.00 0.00 C ATOM 435 C VAL A 26 16.523 -1.829 6.239 1.00 0.00 C ATOM 436 O VAL A 26 16.108 -2.650 7.065 1.00 0.00 O ATOM 437 CB VAL A 26 15.207 -0.997 4.283 1.00 0.00 C ATOM 438 CG1 VAL A 26 14.964 -1.169 2.784 1.00 0.00 C ATOM 439 CG2 VAL A 26 13.875 -1.184 5.032 1.00 0.00 C ATOM 0 H VAL A 26 14.733 -3.471 4.855 1.00 0.00 H new ATOM 0 HA VAL A 26 17.145 -1.908 4.176 1.00 0.00 H new ATOM 0 HB VAL A 26 15.597 0.001 4.482 1.00 0.00 H new ATOM 0 HG11 VAL A 26 14.234 -0.433 2.447 1.00 0.00 H new ATOM 0 HG12 VAL A 26 15.900 -1.025 2.245 1.00 0.00 H new ATOM 0 HG13 VAL A 26 14.584 -2.172 2.590 1.00 0.00 H new ATOM 0 HG21 VAL A 26 13.154 -0.445 4.682 1.00 0.00 H new ATOM 0 HG22 VAL A 26 13.489 -2.186 4.843 1.00 0.00 H new ATOM 0 HG23 VAL A 26 14.038 -1.054 6.102 1.00 0.00 H new ATOM 449 N SER A 27 17.355 -0.858 6.567 1.00 0.00 N ATOM 450 CA SER A 27 17.784 -0.720 7.940 1.00 0.00 C ATOM 451 C SER A 27 16.586 -0.842 8.873 1.00 0.00 C ATOM 452 O SER A 27 15.651 -0.037 8.817 1.00 0.00 O ATOM 453 CB SER A 27 18.487 0.627 8.137 1.00 0.00 C ATOM 454 OG SER A 27 19.285 0.914 6.982 1.00 0.00 O ATOM 0 H SER A 27 17.738 -0.171 5.918 1.00 0.00 H new ATOM 0 HA SER A 27 18.490 -1.516 8.176 1.00 0.00 H new ATOM 0 HB2 SER A 27 17.751 1.416 8.291 1.00 0.00 H new ATOM 0 HB3 SER A 27 19.113 0.597 9.029 1.00 0.00 H new ATOM 0 HG SER A 27 19.736 1.776 7.102 1.00 0.00 H new ATOM 460 N ARG A 28 16.621 -1.853 9.724 1.00 0.00 N ATOM 461 CA ARG A 28 15.544 -2.112 10.654 1.00 0.00 C ATOM 462 C ARG A 28 15.440 -0.974 11.641 1.00 0.00 C ATOM 463 O ARG A 28 14.348 -0.551 11.995 1.00 0.00 O ATOM 464 CB ARG A 28 15.742 -3.459 11.353 1.00 0.00 C ATOM 465 CG ARG A 28 15.635 -4.569 10.301 1.00 0.00 C ATOM 466 CD ARG A 28 15.909 -5.936 10.933 1.00 0.00 C ATOM 467 NE ARG A 28 14.899 -6.238 11.942 1.00 0.00 N ATOM 468 CZ ARG A 28 14.919 -7.369 12.647 1.00 0.00 C ATOM 469 NH1 ARG A 28 15.784 -8.296 12.361 1.00 0.00 N ATOM 470 NH2 ARG A 28 14.048 -7.559 13.597 1.00 0.00 N ATOM 0 H ARG A 28 17.396 -2.513 9.787 1.00 0.00 H new ATOM 0 HA ARG A 28 14.603 -2.173 10.108 1.00 0.00 H new ATOM 0 HB2 ARG A 28 16.715 -3.493 11.843 1.00 0.00 H new ATOM 0 HB3 ARG A 28 14.989 -3.598 12.129 1.00 0.00 H new ATOM 0 HG2 ARG A 28 14.640 -4.561 9.855 1.00 0.00 H new ATOM 0 HG3 ARG A 28 16.347 -4.385 9.496 1.00 0.00 H new ATOM 0 HD2 ARG A 28 15.906 -6.708 10.163 1.00 0.00 H new ATOM 0 HD3 ARG A 28 16.900 -5.943 11.387 1.00 0.00 H new ATOM 0 HE ARG A 28 14.154 -5.562 12.113 1.00 0.00 H new ATOM 0 HH11 ARG A 28 16.446 -8.157 11.598 1.00 0.00 H new ATOM 0 HH12 ARG A 28 15.800 -9.162 12.900 1.00 0.00 H new ATOM 0 HH21 ARG A 28 13.351 -6.842 13.801 1.00 0.00 H new ATOM 0 HH22 ARG A 28 14.063 -8.424 14.137 1.00 0.00 H new ATOM 484 N GLN A 29 16.593 -0.411 11.994 1.00 0.00 N ATOM 485 CA GLN A 29 16.649 0.740 12.898 1.00 0.00 C ATOM 486 C GLN A 29 15.664 1.820 12.451 1.00 0.00 C ATOM 487 O GLN A 29 15.197 2.621 13.261 1.00 0.00 O ATOM 488 CB GLN A 29 18.064 1.320 12.946 1.00 0.00 C ATOM 489 CG GLN A 29 19.021 0.331 13.625 1.00 0.00 C ATOM 490 CD GLN A 29 20.444 0.865 13.539 1.00 0.00 C ATOM 491 OE1 GLN A 29 21.330 0.195 12.996 1.00 0.00 O ATOM 492 NE2 GLN A 29 20.719 2.034 14.027 1.00 0.00 N ATOM 0 H GLN A 29 17.504 -0.733 11.668 1.00 0.00 H new ATOM 0 HA GLN A 29 16.374 0.399 13.896 1.00 0.00 H new ATOM 0 HB2 GLN A 29 18.410 1.536 11.935 1.00 0.00 H new ATOM 0 HB3 GLN A 29 18.059 2.264 13.490 1.00 0.00 H new ATOM 0 HG2 GLN A 29 18.736 0.190 14.668 1.00 0.00 H new ATOM 0 HG3 GLN A 29 18.957 -0.644 13.142 1.00 0.00 H new ATOM 0 HE21 GLN A 29 19.987 2.585 14.475 1.00 0.00 H new ATOM 0 HE22 GLN A 29 21.668 2.403 13.963 1.00 0.00 H new ATOM 501 N THR A 30 15.293 1.790 11.181 1.00 0.00 N ATOM 502 CA THR A 30 14.301 2.711 10.659 1.00 0.00 C ATOM 503 C THR A 30 12.986 2.503 11.424 1.00 0.00 C ATOM 504 O THR A 30 12.332 3.469 11.841 1.00 0.00 O ATOM 505 CB THR A 30 14.085 2.444 9.163 1.00 0.00 C ATOM 506 OG1 THR A 30 15.350 2.294 8.525 1.00 0.00 O ATOM 507 CG2 THR A 30 13.354 3.629 8.530 1.00 0.00 C ATOM 0 H THR A 30 15.666 1.136 10.493 1.00 0.00 H new ATOM 0 HA THR A 30 14.642 3.738 10.786 1.00 0.00 H new ATOM 0 HB THR A 30 13.493 1.537 9.042 1.00 0.00 H new ATOM 0 HG1 THR A 30 15.553 1.341 8.420 1.00 0.00 H new ATOM 0 HG21 THR A 30 13.202 3.437 7.468 1.00 0.00 H new ATOM 0 HG22 THR A 30 12.388 3.763 9.017 1.00 0.00 H new ATOM 0 HG23 THR A 30 13.951 4.533 8.654 1.00 0.00 H new ATOM 515 N ILE A 31 12.663 1.236 11.675 1.00 0.00 N ATOM 516 CA ILE A 31 11.488 0.851 12.451 1.00 0.00 C ATOM 517 C ILE A 31 11.490 1.498 13.833 1.00 0.00 C ATOM 518 O ILE A 31 10.470 1.519 14.504 1.00 0.00 O ATOM 519 CB ILE A 31 11.345 -0.693 12.541 1.00 0.00 C ATOM 520 CG1 ILE A 31 9.867 -1.069 12.768 1.00 0.00 C ATOM 521 CG2 ILE A 31 12.182 -1.249 13.696 1.00 0.00 C ATOM 522 CD1 ILE A 31 9.390 -2.009 11.662 1.00 0.00 C ATOM 0 H ILE A 31 13.213 0.444 11.343 1.00 0.00 H new ATOM 0 HA ILE A 31 10.612 1.227 11.921 1.00 0.00 H new ATOM 0 HB ILE A 31 11.700 -1.123 11.604 1.00 0.00 H new ATOM 0 HG12 ILE A 31 9.751 -1.549 13.740 1.00 0.00 H new ATOM 0 HG13 ILE A 31 9.252 -0.169 12.782 1.00 0.00 H new ATOM 0 HG21 ILE A 31 12.067 -2.332 13.740 1.00 0.00 H new ATOM 0 HG22 ILE A 31 13.232 -1.002 13.537 1.00 0.00 H new ATOM 0 HG23 ILE A 31 11.844 -0.809 14.635 1.00 0.00 H new ATOM 0 HD11 ILE A 31 8.345 -2.269 11.831 1.00 0.00 H new ATOM 0 HD12 ILE A 31 9.489 -1.514 10.696 1.00 0.00 H new ATOM 0 HD13 ILE A 31 9.995 -2.916 11.669 1.00 0.00 H new ATOM 534 N ASN A 32 12.676 1.921 14.290 1.00 0.00 N ATOM 535 CA ASN A 32 12.850 2.455 15.651 1.00 0.00 C ATOM 536 C ASN A 32 11.662 3.313 16.071 1.00 0.00 C ATOM 537 O ASN A 32 11.258 3.289 17.238 1.00 0.00 O ATOM 538 CB ASN A 32 14.133 3.288 15.737 1.00 0.00 C ATOM 539 CG ASN A 32 14.257 3.927 17.117 1.00 0.00 C ATOM 540 OD1 ASN A 32 14.103 3.248 18.131 1.00 0.00 O ATOM 541 ND2 ASN A 32 14.529 5.186 17.219 1.00 0.00 N ATOM 0 H ASN A 32 13.533 1.904 13.737 1.00 0.00 H new ATOM 0 HA ASN A 32 12.919 1.604 16.329 1.00 0.00 H new ATOM 0 HB2 ASN A 32 14.999 2.656 15.542 1.00 0.00 H new ATOM 0 HB3 ASN A 32 14.124 4.062 14.970 1.00 0.00 H new ATOM 0 HD21 ASN A 32 14.616 5.616 18.140 1.00 0.00 H new ATOM 0 HD22 ASN A 32 14.657 5.750 16.379 1.00 0.00 H new ATOM 548 N GLY A 33 11.015 3.948 15.111 1.00 0.00 N ATOM 549 CA GLY A 33 9.756 4.637 15.387 1.00 0.00 C ATOM 550 C GLY A 33 8.660 3.596 15.614 1.00 0.00 C ATOM 551 O GLY A 33 7.627 3.598 14.933 1.00 0.00 O ATOM 0 H GLY A 33 11.331 4.004 14.143 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.859 5.273 16.266 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.491 5.287 14.553 1.00 0.00 H new ATOM 555 N ILE A 34 8.960 2.626 16.473 1.00 0.00 N ATOM 556 CA ILE A 34 8.098 1.472 16.673 1.00 0.00 C ATOM 557 C ILE A 34 6.747 1.871 17.232 1.00 0.00 C ATOM 558 O ILE A 34 5.731 1.319 16.833 1.00 0.00 O ATOM 559 CB ILE A 34 8.774 0.381 17.537 1.00 0.00 C ATOM 560 CG1 ILE A 34 10.115 0.011 16.911 1.00 0.00 C ATOM 561 CG2 ILE A 34 7.899 -0.874 17.542 1.00 0.00 C ATOM 562 CD1 ILE A 34 10.847 -0.979 17.805 1.00 0.00 C ATOM 0 H ILE A 34 9.804 2.620 17.046 1.00 0.00 H new ATOM 0 HA ILE A 34 7.926 1.034 15.690 1.00 0.00 H new ATOM 0 HB ILE A 34 8.910 0.757 18.551 1.00 0.00 H new ATOM 0 HG12 ILE A 34 9.958 -0.424 15.924 1.00 0.00 H new ATOM 0 HG13 ILE A 34 10.721 0.906 16.772 1.00 0.00 H new ATOM 0 HG21 ILE A 34 8.372 -1.645 18.150 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.921 -0.634 17.958 1.00 0.00 H new ATOM 0 HG23 ILE A 34 7.780 -1.239 16.522 1.00 0.00 H new ATOM 0 HD11 ILE A 34 11.804 -1.239 17.353 1.00 0.00 H new ATOM 0 HD12 ILE A 34 11.019 -0.529 18.783 1.00 0.00 H new ATOM 0 HD13 ILE A 34 10.244 -1.879 17.921 1.00 0.00 H new ATOM 574 N GLU A 35 6.721 2.786 18.185 1.00 0.00 N ATOM 575 CA GLU A 35 5.446 3.167 18.777 1.00 0.00 C ATOM 576 C GLU A 35 4.468 3.543 17.673 1.00 0.00 C ATOM 577 O GLU A 35 3.307 3.138 17.696 1.00 0.00 O ATOM 578 CB GLU A 35 5.600 4.346 19.738 1.00 0.00 C ATOM 579 CG GLU A 35 6.450 3.940 20.956 1.00 0.00 C ATOM 580 CD GLU A 35 6.608 5.118 21.908 1.00 0.00 C ATOM 581 OE1 GLU A 35 5.946 6.113 21.710 1.00 0.00 O ATOM 582 OE2 GLU A 35 7.390 5.015 22.818 1.00 0.00 O ATOM 0 H GLU A 35 7.539 3.268 18.558 1.00 0.00 H new ATOM 0 HA GLU A 35 5.070 2.315 19.344 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.069 5.184 19.223 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.618 4.684 20.069 1.00 0.00 H new ATOM 0 HG2 GLU A 35 5.979 3.105 21.475 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.430 3.597 20.626 1.00 0.00 H new ATOM 589 N LYS A 36 4.969 4.245 16.658 1.00 0.00 N ATOM 590 CA LYS A 36 4.138 4.615 15.515 1.00 0.00 C ATOM 591 C LYS A 36 3.767 3.369 14.706 1.00 0.00 C ATOM 592 O LYS A 36 2.744 3.350 14.014 1.00 0.00 O ATOM 593 CB LYS A 36 4.872 5.632 14.626 1.00 0.00 C ATOM 594 CG LYS A 36 5.127 6.941 15.406 1.00 0.00 C ATOM 595 CD LYS A 36 3.798 7.658 15.729 1.00 0.00 C ATOM 596 CE LYS A 36 4.028 8.752 16.793 1.00 0.00 C ATOM 597 NZ LYS A 36 5.395 9.329 16.661 1.00 0.00 N ATOM 0 H LYS A 36 5.936 4.566 16.604 1.00 0.00 H new ATOM 0 HA LYS A 36 3.222 5.077 15.884 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.819 5.212 14.287 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.279 5.841 13.735 1.00 0.00 H new ATOM 0 HG2 LYS A 36 5.660 6.720 16.331 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.767 7.600 14.819 1.00 0.00 H new ATOM 0 HD2 LYS A 36 3.387 8.103 14.823 1.00 0.00 H new ATOM 0 HD3 LYS A 36 3.066 6.936 16.091 1.00 0.00 H new ATOM 0 HE2 LYS A 36 3.282 9.539 16.681 1.00 0.00 H new ATOM 0 HE3 LYS A 36 3.899 8.331 17.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 5.445 10.226 17.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 6.092 8.662 17.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 5.604 9.502 15.657 1.00 0.00 H new ATOM 611 N ASN A 37 4.529 2.297 14.907 1.00 0.00 N ATOM 612 CA ASN A 37 4.205 0.983 14.346 1.00 0.00 C ATOM 613 C ASN A 37 3.259 0.250 15.288 1.00 0.00 C ATOM 614 O ASN A 37 2.367 -0.472 14.850 1.00 0.00 O ATOM 615 CB ASN A 37 5.478 0.156 14.146 1.00 0.00 C ATOM 616 CG ASN A 37 5.196 -1.079 13.289 1.00 0.00 C ATOM 617 OD1 ASN A 37 6.075 -1.539 12.567 1.00 0.00 O ATOM 618 ND2 ASN A 37 4.030 -1.653 13.327 1.00 0.00 N ATOM 0 H ASN A 37 5.386 2.311 15.461 1.00 0.00 H new ATOM 0 HA ASN A 37 3.725 1.121 13.377 1.00 0.00 H new ATOM 0 HB2 ASN A 37 6.243 0.768 13.669 1.00 0.00 H new ATOM 0 HB3 ASN A 37 5.873 -0.151 15.114 1.00 0.00 H new ATOM 0 HD21 ASN A 37 3.850 -2.481 12.759 1.00 0.00 H new ATOM 0 HD22 ASN A 37 3.295 -1.276 13.925 1.00 0.00 H new ATOM 625 N LYS A 38 3.515 0.395 16.582 1.00 0.00 N ATOM 626 CA LYS A 38 2.705 -0.218 17.642 1.00 0.00 C ATOM 627 C LYS A 38 1.307 0.367 17.607 1.00 0.00 C ATOM 628 O LYS A 38 0.302 -0.355 17.622 1.00 0.00 O ATOM 629 CB LYS A 38 3.364 0.095 18.988 1.00 0.00 C ATOM 630 CG LYS A 38 4.680 -0.678 19.083 1.00 0.00 C ATOM 631 CD LYS A 38 5.506 -0.190 20.282 1.00 0.00 C ATOM 632 CE LYS A 38 6.424 -1.313 20.783 1.00 0.00 C ATOM 633 NZ LYS A 38 5.608 -2.437 21.301 1.00 0.00 N ATOM 0 H LYS A 38 4.297 0.946 16.935 1.00 0.00 H new ATOM 0 HA LYS A 38 2.641 -1.297 17.499 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.548 1.166 19.079 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.702 -0.185 19.807 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.476 -1.744 19.184 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.251 -0.549 18.164 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.102 0.676 19.994 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.842 0.132 21.084 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.064 -1.660 19.972 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.080 -0.936 21.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.108 -2.894 22.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.691 -2.076 21.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.451 -3.131 20.542 1.00 0.00 H new ATOM 647 N TYR A 39 1.269 1.668 17.436 1.00 0.00 N ATOM 648 CA TYR A 39 0.043 2.413 17.264 1.00 0.00 C ATOM 649 C TYR A 39 -0.488 2.161 15.876 1.00 0.00 C ATOM 650 O TYR A 39 0.125 1.426 15.100 1.00 0.00 O ATOM 651 CB TYR A 39 0.305 3.913 17.459 1.00 0.00 C ATOM 652 CG TYR A 39 0.323 4.248 18.935 1.00 0.00 C ATOM 653 CD1 TYR A 39 1.128 3.510 19.822 1.00 0.00 C ATOM 654 CD2 TYR A 39 -0.464 5.293 19.420 1.00 0.00 C ATOM 655 CE1 TYR A 39 1.137 3.824 21.181 1.00 0.00 C ATOM 656 CE2 TYR A 39 -0.453 5.602 20.780 1.00 0.00 C ATOM 657 CZ TYR A 39 0.346 4.872 21.658 1.00 0.00 C ATOM 658 OH TYR A 39 0.349 5.178 23.006 1.00 0.00 O ATOM 0 H TYR A 39 2.106 2.250 17.412 1.00 0.00 H new ATOM 0 HA TYR A 39 -0.689 2.090 18.004 1.00 0.00 H new ATOM 0 HB2 TYR A 39 1.257 4.186 17.004 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -0.468 4.494 16.955 1.00 0.00 H new ATOM 0 HD1 TYR A 39 1.739 2.700 19.451 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -1.082 5.863 18.742 1.00 0.00 H new ATOM 0 HE1 TYR A 39 1.754 3.258 21.863 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -1.065 6.409 21.154 1.00 0.00 H new ATOM 0 HH TYR A 39 -0.254 5.933 23.171 1.00 0.00 H new ATOM 668 N ASN A 40 -1.594 2.790 15.537 1.00 0.00 N ATOM 669 CA ASN A 40 -2.118 2.658 14.191 1.00 0.00 C ATOM 670 C ASN A 40 -1.038 3.160 13.240 1.00 0.00 C ATOM 671 O ASN A 40 -0.470 4.230 13.470 1.00 0.00 O ATOM 672 CB ASN A 40 -3.372 3.520 14.045 1.00 0.00 C ATOM 673 CG ASN A 40 -3.019 4.984 14.276 1.00 0.00 C ATOM 674 OD1 ASN A 40 -2.647 5.365 15.395 1.00 0.00 O ATOM 675 ND2 ASN A 40 -3.097 5.829 13.300 1.00 0.00 N ATOM 0 H ASN A 40 -2.139 3.386 16.159 1.00 0.00 H new ATOM 0 HA ASN A 40 -2.380 1.623 13.972 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -3.799 3.392 13.051 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -4.129 3.201 14.761 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -2.852 6.808 13.452 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -3.403 5.517 12.378 1.00 0.00 H new ATOM 682 N PRO A 41 -0.585 2.325 12.337 1.00 0.00 N ATOM 683 CA PRO A 41 0.656 2.625 11.558 1.00 0.00 C ATOM 684 C PRO A 41 0.601 3.961 10.849 1.00 0.00 C ATOM 685 O PRO A 41 -0.370 4.266 10.148 1.00 0.00 O ATOM 686 CB PRO A 41 0.714 1.500 10.517 1.00 0.00 C ATOM 687 CG PRO A 41 -0.065 0.386 11.119 1.00 0.00 C ATOM 688 CD PRO A 41 -1.189 1.049 11.906 1.00 0.00 C ATOM 0 HA PRO A 41 1.524 2.679 12.215 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.282 1.817 9.568 1.00 0.00 H new ATOM 0 HB3 PRO A 41 1.742 1.200 10.315 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -0.463 -0.275 10.349 1.00 0.00 H new ATOM 0 HG3 PRO A 41 0.562 -0.224 11.769 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -2.073 1.209 11.289 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -1.499 0.442 12.756 1.00 0.00 H new ATOM 696 N SER A 42 1.700 4.682 10.920 1.00 0.00 N ATOM 697 CA SER A 42 1.856 5.900 10.165 1.00 0.00 C ATOM 698 C SER A 42 2.300 5.549 8.752 1.00 0.00 C ATOM 699 O SER A 42 2.927 4.502 8.534 1.00 0.00 O ATOM 700 CB SER A 42 2.879 6.808 10.837 1.00 0.00 C ATOM 701 OG SER A 42 2.639 6.831 12.252 1.00 0.00 O ATOM 0 H SER A 42 2.504 4.440 11.500 1.00 0.00 H new ATOM 0 HA SER A 42 0.906 6.433 10.125 1.00 0.00 H new ATOM 0 HB2 SER A 42 3.888 6.450 10.634 1.00 0.00 H new ATOM 0 HB3 SER A 42 2.810 7.816 10.429 1.00 0.00 H new ATOM 0 HG SER A 42 3.188 7.530 12.666 1.00 0.00 H new ATOM 707 N LEU A 43 1.988 6.404 7.798 1.00 0.00 N ATOM 708 CA LEU A 43 2.323 6.123 6.411 1.00 0.00 C ATOM 709 C LEU A 43 3.824 5.999 6.239 1.00 0.00 C ATOM 710 O LEU A 43 4.307 5.098 5.562 1.00 0.00 O ATOM 711 CB LEU A 43 1.773 7.210 5.475 1.00 0.00 C ATOM 712 CG LEU A 43 0.280 6.959 5.173 1.00 0.00 C ATOM 713 CD1 LEU A 43 0.087 5.575 4.537 1.00 0.00 C ATOM 714 CD2 LEU A 43 -0.548 7.053 6.458 1.00 0.00 C ATOM 0 H LEU A 43 1.508 7.291 7.952 1.00 0.00 H new ATOM 0 HA LEU A 43 1.858 5.174 6.143 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.897 8.191 5.934 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.342 7.219 4.545 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.059 7.723 4.473 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.971 5.414 4.330 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.651 5.521 3.606 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.444 4.807 5.223 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.598 6.874 6.228 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.200 6.305 7.171 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.436 8.047 6.891 1.00 0.00 H new ATOM 726 N GLN A 44 4.557 6.877 6.885 1.00 0.00 N ATOM 727 CA GLN A 44 6.010 6.871 6.788 1.00 0.00 C ATOM 728 C GLN A 44 6.558 5.498 7.149 1.00 0.00 C ATOM 729 O GLN A 44 7.393 4.938 6.431 1.00 0.00 O ATOM 730 CB GLN A 44 6.588 7.917 7.742 1.00 0.00 C ATOM 731 CG GLN A 44 5.783 9.215 7.620 1.00 0.00 C ATOM 732 CD GLN A 44 4.730 9.262 8.711 1.00 0.00 C ATOM 733 OE1 GLN A 44 3.705 8.580 8.604 1.00 0.00 O ATOM 734 NE2 GLN A 44 4.915 9.996 9.760 1.00 0.00 N ATOM 0 H GLN A 44 4.176 7.608 7.486 1.00 0.00 H new ATOM 0 HA GLN A 44 6.297 7.107 5.763 1.00 0.00 H new ATOM 0 HB2 GLN A 44 6.553 7.549 8.767 1.00 0.00 H new ATOM 0 HB3 GLN A 44 7.636 8.102 7.505 1.00 0.00 H new ATOM 0 HG2 GLN A 44 6.446 10.076 7.703 1.00 0.00 H new ATOM 0 HG3 GLN A 44 5.309 9.271 6.640 1.00 0.00 H new ATOM 0 HE21 GLN A 44 5.762 10.558 9.846 1.00 0.00 H new ATOM 0 HE22 GLN A 44 4.214 10.013 10.501 1.00 0.00 H new ATOM 743 N LEU A 45 6.075 4.952 8.256 1.00 0.00 N ATOM 744 CA LEU A 45 6.462 3.607 8.667 1.00 0.00 C ATOM 745 C LEU A 45 5.895 2.596 7.657 1.00 0.00 C ATOM 746 O LEU A 45 6.569 1.651 7.240 1.00 0.00 O ATOM 747 CB LEU A 45 5.902 3.313 10.075 1.00 0.00 C ATOM 748 CG LEU A 45 6.778 2.284 10.840 1.00 0.00 C ATOM 749 CD1 LEU A 45 7.208 1.120 9.939 1.00 0.00 C ATOM 750 CD2 LEU A 45 8.024 2.979 11.396 1.00 0.00 C ATOM 0 H LEU A 45 5.418 5.415 8.884 1.00 0.00 H new ATOM 0 HA LEU A 45 7.549 3.526 8.696 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.848 4.240 10.646 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.884 2.932 9.989 1.00 0.00 H new ATOM 0 HG LEU A 45 6.177 1.878 11.654 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.819 0.423 10.512 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.324 0.604 9.564 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.787 1.504 9.099 1.00 0.00 H new ATOM 0 HD21 LEU A 45 8.636 2.254 11.932 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.601 3.404 10.574 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.723 3.775 12.078 1.00 0.00 H new ATOM 762 N ALA A 46 4.618 2.801 7.299 1.00 0.00 N ATOM 763 CA ALA A 46 3.897 1.882 6.412 1.00 0.00 C ATOM 764 C ALA A 46 4.490 1.839 5.015 1.00 0.00 C ATOM 765 O ALA A 46 4.556 0.779 4.397 1.00 0.00 O ATOM 766 CB ALA A 46 2.416 2.259 6.329 1.00 0.00 C ATOM 0 H ALA A 46 4.064 3.598 7.613 1.00 0.00 H new ATOM 0 HA ALA A 46 3.998 0.888 6.847 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.900 1.564 5.666 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.972 2.209 7.323 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.320 3.272 5.939 1.00 0.00 H new ATOM 772 N LEU A 47 4.891 2.981 4.509 1.00 0.00 N ATOM 773 CA LEU A 47 5.412 3.070 3.150 1.00 0.00 C ATOM 774 C LEU A 47 6.653 2.226 2.987 1.00 0.00 C ATOM 775 O LEU A 47 6.835 1.561 1.970 1.00 0.00 O ATOM 776 CB LEU A 47 5.682 4.528 2.757 1.00 0.00 C ATOM 777 CG LEU A 47 4.345 5.270 2.569 1.00 0.00 C ATOM 778 CD1 LEU A 47 4.597 6.766 2.445 1.00 0.00 C ATOM 779 CD2 LEU A 47 3.667 4.781 1.286 1.00 0.00 C ATOM 0 H LEU A 47 4.870 3.868 5.013 1.00 0.00 H new ATOM 0 HA LEU A 47 4.651 2.678 2.476 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.276 5.019 3.528 1.00 0.00 H new ATOM 0 HB3 LEU A 47 6.263 4.565 1.835 1.00 0.00 H new ATOM 0 HG LEU A 47 3.707 5.073 3.430 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.648 7.285 2.312 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.086 7.129 3.349 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.238 6.957 1.585 1.00 0.00 H new ATOM 0 HD21 LEU A 47 2.721 5.305 1.152 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.316 4.980 0.433 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.481 3.709 1.358 1.00 0.00 H new ATOM 791 N LYS A 48 7.482 2.216 4.007 1.00 0.00 N ATOM 792 CA LYS A 48 8.707 1.437 3.972 1.00 0.00 C ATOM 793 C LYS A 48 8.349 -0.030 3.767 1.00 0.00 C ATOM 794 O LYS A 48 8.879 -0.695 2.867 1.00 0.00 O ATOM 795 CB LYS A 48 9.407 1.608 5.318 1.00 0.00 C ATOM 796 CG LYS A 48 9.807 3.077 5.461 1.00 0.00 C ATOM 797 CD LYS A 48 10.437 3.331 6.832 1.00 0.00 C ATOM 798 CE LYS A 48 10.823 4.813 6.944 1.00 0.00 C ATOM 799 NZ LYS A 48 9.742 5.650 6.355 1.00 0.00 N ATOM 0 H LYS A 48 7.334 2.737 4.871 1.00 0.00 H new ATOM 0 HA LYS A 48 9.358 1.767 3.162 1.00 0.00 H new ATOM 0 HB2 LYS A 48 8.745 1.313 6.132 1.00 0.00 H new ATOM 0 HB3 LYS A 48 10.287 0.967 5.374 1.00 0.00 H new ATOM 0 HG2 LYS A 48 10.513 3.346 4.675 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.931 3.712 5.334 1.00 0.00 H new ATOM 0 HD2 LYS A 48 9.736 3.065 7.623 1.00 0.00 H new ATOM 0 HD3 LYS A 48 11.318 2.703 6.963 1.00 0.00 H new ATOM 0 HE2 LYS A 48 10.978 5.082 7.989 1.00 0.00 H new ATOM 0 HE3 LYS A 48 11.764 4.996 6.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 9.799 6.614 6.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 9.854 5.685 5.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 8.817 5.237 6.589 1.00 0.00 H new ATOM 813 N ILE A 49 7.339 -0.465 4.495 1.00 0.00 N ATOM 814 CA ILE A 49 6.747 -1.774 4.300 1.00 0.00 C ATOM 815 C ILE A 49 6.057 -1.823 2.928 1.00 0.00 C ATOM 816 O ILE A 49 6.117 -2.828 2.207 1.00 0.00 O ATOM 817 CB ILE A 49 5.721 -2.042 5.422 1.00 0.00 C ATOM 818 CG1 ILE A 49 6.433 -2.136 6.786 1.00 0.00 C ATOM 819 CG2 ILE A 49 4.969 -3.351 5.150 1.00 0.00 C ATOM 820 CD1 ILE A 49 7.398 -3.325 6.797 1.00 0.00 C ATOM 0 H ILE A 49 6.905 0.080 5.240 1.00 0.00 H new ATOM 0 HA ILE A 49 7.522 -2.540 4.335 1.00 0.00 H new ATOM 0 HB ILE A 49 5.011 -1.215 5.443 1.00 0.00 H new ATOM 0 HG12 ILE A 49 6.979 -1.213 6.984 1.00 0.00 H new ATOM 0 HG13 ILE A 49 5.697 -2.248 7.582 1.00 0.00 H new ATOM 0 HG21 ILE A 49 4.248 -3.529 5.948 1.00 0.00 H new ATOM 0 HG22 ILE A 49 4.445 -3.278 4.197 1.00 0.00 H new ATOM 0 HG23 ILE A 49 5.679 -4.177 5.111 1.00 0.00 H new ATOM 0 HD11 ILE A 49 7.895 -3.381 7.765 1.00 0.00 H new ATOM 0 HD12 ILE A 49 6.843 -4.246 6.620 1.00 0.00 H new ATOM 0 HD13 ILE A 49 8.144 -3.195 6.013 1.00 0.00 H new ATOM 832 N ALA A 50 5.332 -0.747 2.622 1.00 0.00 N ATOM 833 CA ALA A 50 4.521 -0.663 1.409 1.00 0.00 C ATOM 834 C ALA A 50 5.359 -0.745 0.160 1.00 0.00 C ATOM 835 O ALA A 50 4.906 -1.283 -0.857 1.00 0.00 O ATOM 836 CB ALA A 50 3.701 0.629 1.383 1.00 0.00 C ATOM 0 H ALA A 50 5.291 0.088 3.206 1.00 0.00 H new ATOM 0 HA ALA A 50 3.848 -1.520 1.428 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.107 0.665 0.470 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.038 0.657 2.248 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.373 1.487 1.413 1.00 0.00 H new ATOM 842 N TYR A 51 6.539 -0.124 0.179 1.00 0.00 N ATOM 843 CA TYR A 51 7.352 -0.090 -1.024 1.00 0.00 C ATOM 844 C TYR A 51 7.522 -1.498 -1.543 1.00 0.00 C ATOM 845 O TYR A 51 7.119 -1.811 -2.667 1.00 0.00 O ATOM 846 CB TYR A 51 8.736 0.503 -0.741 1.00 0.00 C ATOM 847 CG TYR A 51 8.636 1.928 -0.219 1.00 0.00 C ATOM 848 CD1 TYR A 51 7.623 2.793 -0.660 1.00 0.00 C ATOM 849 CD2 TYR A 51 9.570 2.376 0.711 1.00 0.00 C ATOM 850 CE1 TYR A 51 7.558 4.098 -0.166 1.00 0.00 C ATOM 851 CE2 TYR A 51 9.507 3.680 1.204 1.00 0.00 C ATOM 852 CZ TYR A 51 8.503 4.540 0.769 1.00 0.00 C ATOM 853 OH TYR A 51 8.441 5.827 1.253 1.00 0.00 O ATOM 0 H TYR A 51 6.939 0.347 0.990 1.00 0.00 H new ATOM 0 HA TYR A 51 6.850 0.536 -1.761 1.00 0.00 H new ATOM 0 HB2 TYR A 51 9.256 -0.117 -0.011 1.00 0.00 H new ATOM 0 HB3 TYR A 51 9.332 0.490 -1.653 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.895 2.450 -1.380 1.00 0.00 H new ATOM 0 HD2 TYR A 51 10.348 1.710 1.053 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.780 4.766 -0.505 1.00 0.00 H new ATOM 0 HE2 TYR A 51 10.237 4.022 1.923 1.00 0.00 H new ATOM 0 HH TYR A 51 9.169 5.971 1.893 1.00 0.00 H new ATOM 863 N TYR A 52 8.026 -2.374 -0.690 1.00 0.00 N ATOM 864 CA TYR A 52 8.141 -3.776 -1.039 1.00 0.00 C ATOM 865 C TYR A 52 6.769 -4.410 -1.227 1.00 0.00 C ATOM 866 O TYR A 52 6.563 -5.223 -2.137 1.00 0.00 O ATOM 867 CB TYR A 52 8.894 -4.554 0.035 1.00 0.00 C ATOM 868 CG TYR A 52 8.896 -6.012 -0.355 1.00 0.00 C ATOM 869 CD1 TYR A 52 9.886 -6.507 -1.215 1.00 0.00 C ATOM 870 CD2 TYR A 52 7.898 -6.864 0.125 1.00 0.00 C ATOM 871 CE1 TYR A 52 9.878 -7.848 -1.590 1.00 0.00 C ATOM 872 CE2 TYR A 52 7.887 -8.200 -0.257 1.00 0.00 C ATOM 873 CZ TYR A 52 8.879 -8.696 -1.113 1.00 0.00 C ATOM 874 OH TYR A 52 8.860 -10.016 -1.498 1.00 0.00 O ATOM 0 H TYR A 52 8.360 -2.139 0.245 1.00 0.00 H new ATOM 0 HA TYR A 52 8.696 -3.823 -1.976 1.00 0.00 H new ATOM 0 HB2 TYR A 52 9.915 -4.184 0.128 1.00 0.00 H new ATOM 0 HB3 TYR A 52 8.417 -4.421 1.006 1.00 0.00 H new ATOM 0 HD1 TYR A 52 10.656 -5.847 -1.587 1.00 0.00 H new ATOM 0 HD2 TYR A 52 7.137 -6.485 0.791 1.00 0.00 H new ATOM 0 HE1 TYR A 52 10.644 -8.230 -2.249 1.00 0.00 H new ATOM 0 HE2 TYR A 52 7.112 -8.858 0.107 1.00 0.00 H new ATOM 0 HH TYR A 52 7.961 -10.253 -1.809 1.00 0.00 H new ATOM 884 N LEU A 53 5.892 -4.173 -0.254 1.00 0.00 N ATOM 885 CA LEU A 53 4.620 -4.880 -0.187 1.00 0.00 C ATOM 886 C LEU A 53 3.747 -4.526 -1.379 1.00 0.00 C ATOM 887 O LEU A 53 3.573 -3.356 -1.706 1.00 0.00 O ATOM 888 CB LEU A 53 3.913 -4.541 1.139 1.00 0.00 C ATOM 889 CG LEU A 53 2.645 -5.378 1.320 1.00 0.00 C ATOM 890 CD1 LEU A 53 3.006 -6.864 1.373 1.00 0.00 C ATOM 891 CD2 LEU A 53 1.980 -4.984 2.645 1.00 0.00 C ATOM 0 H LEU A 53 6.040 -3.498 0.496 1.00 0.00 H new ATOM 0 HA LEU A 53 4.804 -5.954 -0.222 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.592 -4.720 1.972 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.658 -3.481 1.158 1.00 0.00 H new ATOM 0 HG LEU A 53 1.969 -5.199 0.484 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.099 -7.454 1.502 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.498 -7.152 0.444 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.679 -7.045 2.211 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.074 -5.573 2.787 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.669 -5.173 3.468 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.724 -3.925 2.623 1.00 0.00 H new ATOM 903 N ASN A 54 3.259 -5.550 -2.067 1.00 0.00 N ATOM 904 CA ASN A 54 2.500 -5.360 -3.304 1.00 0.00 C ATOM 905 C ASN A 54 1.036 -5.042 -3.026 1.00 0.00 C ATOM 906 O ASN A 54 0.217 -5.005 -3.941 1.00 0.00 O ATOM 907 CB ASN A 54 2.598 -6.602 -4.195 1.00 0.00 C ATOM 908 CG ASN A 54 2.451 -6.196 -5.656 1.00 0.00 C ATOM 909 OD1 ASN A 54 3.268 -5.424 -6.175 1.00 0.00 O ATOM 910 ND2 ASN A 54 1.468 -6.664 -6.358 1.00 0.00 N ATOM 0 H ASN A 54 3.374 -6.525 -1.791 1.00 0.00 H new ATOM 0 HA ASN A 54 2.940 -4.508 -3.823 1.00 0.00 H new ATOM 0 HB2 ASN A 54 3.556 -7.099 -4.040 1.00 0.00 H new ATOM 0 HB3 ASN A 54 1.821 -7.317 -3.926 1.00 0.00 H new ATOM 0 HD21 ASN A 54 1.368 -6.396 -7.337 1.00 0.00 H new ATOM 0 HD22 ASN A 54 0.794 -7.300 -5.932 1.00 0.00 H new ATOM 917 N THR A 55 0.716 -4.810 -1.775 1.00 0.00 N ATOM 918 CA THR A 55 -0.652 -4.527 -1.379 1.00 0.00 C ATOM 919 C THR A 55 -0.820 -3.024 -1.173 1.00 0.00 C ATOM 920 O THR A 55 -0.032 -2.393 -0.453 1.00 0.00 O ATOM 921 CB THR A 55 -0.969 -5.264 -0.064 1.00 0.00 C ATOM 922 OG1 THR A 55 0.042 -6.250 0.186 1.00 0.00 O ATOM 923 CG2 THR A 55 -2.337 -5.951 -0.152 1.00 0.00 C ATOM 0 H THR A 55 1.386 -4.811 -1.006 1.00 0.00 H new ATOM 0 HA THR A 55 -1.334 -4.866 -2.159 1.00 0.00 H new ATOM 0 HB THR A 55 -0.989 -4.539 0.749 1.00 0.00 H new ATOM 0 HG1 THR A 55 -0.158 -6.718 1.023 1.00 0.00 H new ATOM 0 HG21 THR A 55 -2.546 -6.467 0.785 1.00 0.00 H new ATOM 0 HG22 THR A 55 -3.109 -5.203 -0.334 1.00 0.00 H new ATOM 0 HG23 THR A 55 -2.330 -6.672 -0.970 1.00 0.00 H new ATOM 931 N PRO A 56 -1.783 -2.431 -1.828 1.00 0.00 N ATOM 932 CA PRO A 56 -2.018 -0.977 -1.690 1.00 0.00 C ATOM 933 C PRO A 56 -2.542 -0.643 -0.309 1.00 0.00 C ATOM 934 O PRO A 56 -3.332 -1.393 0.270 1.00 0.00 O ATOM 935 CB PRO A 56 -3.072 -0.680 -2.755 1.00 0.00 C ATOM 936 CG PRO A 56 -3.872 -1.937 -2.847 1.00 0.00 C ATOM 937 CD PRO A 56 -2.894 -3.087 -2.560 1.00 0.00 C ATOM 0 HA PRO A 56 -1.109 -0.389 -1.816 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -3.696 0.168 -2.471 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -2.612 -0.431 -3.711 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -4.690 -1.932 -2.126 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -4.319 -2.043 -3.836 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.361 -3.869 -1.961 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -2.545 -3.555 -3.481 1.00 0.00 H new ATOM 945 N LEU A 57 -2.164 0.509 0.184 1.00 0.00 N ATOM 946 CA LEU A 57 -2.626 0.968 1.472 1.00 0.00 C ATOM 947 C LEU A 57 -4.133 1.149 1.441 1.00 0.00 C ATOM 948 O LEU A 57 -4.822 0.805 2.397 1.00 0.00 O ATOM 949 CB LEU A 57 -1.909 2.262 1.875 1.00 0.00 C ATOM 950 CG LEU A 57 -0.425 1.961 2.147 1.00 0.00 C ATOM 951 CD1 LEU A 57 0.344 3.272 2.298 1.00 0.00 C ATOM 952 CD2 LEU A 57 -0.290 1.145 3.443 1.00 0.00 C ATOM 0 H LEU A 57 -1.531 1.153 -0.291 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.388 0.219 2.227 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.001 3.004 1.082 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.374 2.687 2.765 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.018 1.390 1.312 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.395 3.057 2.491 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.255 3.854 1.381 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.068 3.842 3.131 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.763 0.934 3.632 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.701 1.715 4.276 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.836 0.207 3.341 1.00 0.00 H new ATOM 964 N GLU A 58 -4.656 1.627 0.310 1.00 0.00 N ATOM 965 CA GLU A 58 -6.104 1.786 0.146 1.00 0.00 C ATOM 966 C GLU A 58 -6.868 0.593 0.706 1.00 0.00 C ATOM 967 O GLU A 58 -8.034 0.730 1.106 1.00 0.00 O ATOM 968 CB GLU A 58 -6.504 2.005 -1.312 1.00 0.00 C ATOM 969 CG GLU A 58 -6.028 3.379 -1.808 1.00 0.00 C ATOM 970 CD GLU A 58 -6.422 3.591 -3.264 1.00 0.00 C ATOM 971 OE1 GLU A 58 -6.983 2.689 -3.854 1.00 0.00 O ATOM 972 OE2 GLU A 58 -6.176 4.656 -3.767 1.00 0.00 O ATOM 0 H GLU A 58 -4.104 1.909 -0.500 1.00 0.00 H new ATOM 0 HA GLU A 58 -6.372 2.678 0.712 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -6.074 1.220 -1.934 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -7.587 1.933 -1.411 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -6.463 4.165 -1.190 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -4.946 3.454 -1.704 1.00 0.00 H new ATOM 979 N ASP A 59 -6.226 -0.575 0.762 1.00 0.00 N ATOM 980 CA ASP A 59 -6.879 -1.749 1.317 1.00 0.00 C ATOM 981 C ASP A 59 -7.284 -1.508 2.753 1.00 0.00 C ATOM 982 O ASP A 59 -8.333 -1.984 3.192 1.00 0.00 O ATOM 983 CB ASP A 59 -6.026 -3.018 1.207 1.00 0.00 C ATOM 984 CG ASP A 59 -6.184 -3.700 -0.147 1.00 0.00 C ATOM 985 OD1 ASP A 59 -7.087 -3.347 -0.889 1.00 0.00 O ATOM 986 OD2 ASP A 59 -5.432 -4.607 -0.408 1.00 0.00 O ATOM 0 H ASP A 59 -5.272 -0.727 0.435 1.00 0.00 H new ATOM 0 HA ASP A 59 -7.772 -1.918 0.716 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -4.978 -2.764 1.364 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -6.308 -3.713 1.998 1.00 0.00 H new ATOM 991 N ILE A 60 -6.495 -0.740 3.480 1.00 0.00 N ATOM 992 CA ILE A 60 -6.862 -0.412 4.844 1.00 0.00 C ATOM 993 C ILE A 60 -8.110 0.482 4.820 1.00 0.00 C ATOM 994 O ILE A 60 -8.864 0.540 5.775 1.00 0.00 O ATOM 995 CB ILE A 60 -5.705 0.298 5.592 1.00 0.00 C ATOM 996 CG1 ILE A 60 -5.613 1.773 5.169 1.00 0.00 C ATOM 997 CG2 ILE A 60 -4.368 -0.388 5.278 1.00 0.00 C ATOM 998 CD1 ILE A 60 -4.427 2.439 5.876 1.00 0.00 C ATOM 0 H ILE A 60 -5.614 -0.339 3.158 1.00 0.00 H new ATOM 0 HA ILE A 60 -7.074 -1.336 5.382 1.00 0.00 H new ATOM 0 HB ILE A 60 -5.910 0.237 6.661 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -5.492 1.845 4.088 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -6.538 2.292 5.421 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -3.564 0.121 5.810 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -4.410 -1.430 5.595 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -4.179 -0.343 4.205 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -4.364 3.485 5.574 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.567 2.381 6.955 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -3.505 1.926 5.602 1.00 0.00 H new ATOM 1010 N PHE A 61 -8.315 1.154 3.696 1.00 0.00 N ATOM 1011 CA PHE A 61 -9.442 2.061 3.533 1.00 0.00 C ATOM 1012 C PHE A 61 -10.607 1.402 2.805 1.00 0.00 C ATOM 1013 O PHE A 61 -11.527 2.092 2.349 1.00 0.00 O ATOM 1014 CB PHE A 61 -9.027 3.338 2.798 1.00 0.00 C ATOM 1015 CG PHE A 61 -8.062 4.135 3.646 1.00 0.00 C ATOM 1016 CD1 PHE A 61 -8.520 4.795 4.795 1.00 0.00 C ATOM 1017 CD2 PHE A 61 -6.718 4.223 3.288 1.00 0.00 C ATOM 1018 CE1 PHE A 61 -7.634 5.532 5.579 1.00 0.00 C ATOM 1019 CE2 PHE A 61 -5.835 4.962 4.073 1.00 0.00 C ATOM 1020 CZ PHE A 61 -6.291 5.618 5.218 1.00 0.00 C ATOM 0 H PHE A 61 -7.710 1.087 2.877 1.00 0.00 H new ATOM 0 HA PHE A 61 -9.775 2.324 4.537 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -8.562 3.084 1.845 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -9.908 3.940 2.572 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -9.562 4.732 5.073 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -6.361 3.719 2.402 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -7.988 6.036 6.466 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -4.794 5.028 3.794 1.00 0.00 H new ATOM 0 HZ PHE A 61 -5.604 6.191 5.823 1.00 0.00 H new