USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=15 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 5 ASN : amide:sc= -4.13! C(o=-7.8!,f=-20!) USER MOD Set 1.2: A 40 ASN : amide:sc= -3.71 K(o=-7.8,f=-19!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -154:sc= 0.828 (180deg=0.21) USER MOD Single : A 13 LYS NZ :NH3+ -146:sc= -0.449 (180deg=-2.41!) USER MOD Single : A 14 LYS NZ :NH3+ 154:sc= -0.389 (180deg=-1.68!) USER MOD Single : A 16 SER OG : rot 76:sc= 0.555 USER MOD Single : A 17 GLN : amide:sc= -2.52! C(o=-2.5!,f=-7.7!) USER MOD Single : A 18 SER OG : rot 180:sc= 0.0634 USER MOD Single : A 27 SER OG : rot 180:sc= 0.0182 USER MOD Single : A 29 GLN : amide:sc= -0.0434 K(o=-0.043,f=-9.2!) USER MOD Single : A 30 THR OG1 : rot 87:sc= 1.37 USER MOD Single : A 32 ASN : amide:sc= -0.725 X(o=-0.72,f=-0.39) USER MOD Single : A 36 LYS NZ :NH3+ -165:sc= -0.0209 (180deg=-0.355) USER MOD Single : A 37 ASN : amide:sc= -0.237 X(o=-0.24,f=-0.47) USER MOD Single : A 38 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0635) USER MOD Single : A 39 TYR OH : rot 53:sc= 0.976 USER MOD Single : A 42 SER OG : rot 180:sc= 0.0245 USER MOD Single : A 44 GLN : amide:sc= 0.84 K(o=0.84,f=-7.5!) USER MOD Single : A 48 LYS NZ :NH3+ 162:sc= -0.028 (180deg=-0.554) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 130:sc=-0.00489 USER MOD Single : A 54 ASN : amide:sc=-0.00495 X(o=-0.0049,f=0) USER MOD Single : A 55 THR OG1 : rot -137:sc= -1.88 USER MOD ----------------------------------------------------------------- ATOM 70 N ASN A 5 -5.944 -4.057 8.145 1.00 0.00 N ATOM 71 CA ASN A 5 -4.569 -3.848 8.603 1.00 0.00 C ATOM 72 C ASN A 5 -3.575 -4.334 7.551 1.00 0.00 C ATOM 73 O ASN A 5 -3.840 -5.319 6.859 1.00 0.00 O ATOM 74 CB ASN A 5 -4.342 -4.613 9.927 1.00 0.00 C ATOM 75 CG ASN A 5 -3.008 -4.228 10.568 1.00 0.00 C ATOM 76 OD1 ASN A 5 -1.962 -4.337 9.936 1.00 0.00 O ATOM 77 ND2 ASN A 5 -2.984 -3.789 11.788 1.00 0.00 N ATOM 0 HA ASN A 5 -4.412 -2.782 8.765 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -5.156 -4.397 10.619 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -4.361 -5.686 9.738 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -2.096 -3.535 12.221 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -3.853 -3.698 12.314 1.00 0.00 H new ATOM 84 N LEU A 6 -2.368 -3.780 7.572 1.00 0.00 N ATOM 85 CA LEU A 6 -1.282 -4.287 6.735 1.00 0.00 C ATOM 86 C LEU A 6 -1.007 -5.739 7.080 1.00 0.00 C ATOM 87 O LEU A 6 -0.733 -6.559 6.200 1.00 0.00 O ATOM 88 CB LEU A 6 -0.015 -3.422 6.863 1.00 0.00 C ATOM 89 CG LEU A 6 -0.155 -2.194 5.947 1.00 0.00 C ATOM 90 CD1 LEU A 6 0.855 -1.116 6.329 1.00 0.00 C ATOM 91 CD2 LEU A 6 0.128 -2.624 4.509 1.00 0.00 C ATOM 0 H LEU A 6 -2.115 -2.983 8.156 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.591 -4.230 5.691 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.123 -3.107 7.897 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.866 -4.001 6.586 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.163 -1.793 6.050 1.00 0.00 H new ATOM 0 HD11 LEU A 6 0.738 -0.257 5.668 1.00 0.00 H new ATOM 0 HD12 LEU A 6 0.684 -0.806 7.360 1.00 0.00 H new ATOM 0 HD13 LEU A 6 1.865 -1.513 6.232 1.00 0.00 H new ATOM 0 HD21 LEU A 6 0.033 -1.764 3.847 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.140 -3.024 4.441 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -0.586 -3.392 4.212 1.00 0.00 H new ATOM 103 N LYS A 7 -1.284 -6.080 8.319 1.00 0.00 N ATOM 104 CA LYS A 7 -1.272 -7.465 8.758 1.00 0.00 C ATOM 105 C LYS A 7 -2.180 -8.296 7.855 1.00 0.00 C ATOM 106 O LYS A 7 -1.763 -9.310 7.301 1.00 0.00 O ATOM 107 CB LYS A 7 -1.829 -7.494 10.192 1.00 0.00 C ATOM 108 CG LYS A 7 -2.269 -8.907 10.599 1.00 0.00 C ATOM 109 CD LYS A 7 -2.876 -8.847 12.002 1.00 0.00 C ATOM 110 CE LYS A 7 -3.414 -10.222 12.415 1.00 0.00 C ATOM 111 NZ LYS A 7 -4.038 -10.121 13.760 1.00 0.00 N ATOM 0 H LYS A 7 -1.523 -5.411 9.051 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.262 -7.873 8.718 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.069 -7.135 10.886 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.676 -6.813 10.268 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -2.998 -9.295 9.888 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -1.417 -9.587 10.585 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -2.123 -8.515 12.716 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -3.682 -8.113 12.025 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -4.146 -10.573 11.687 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -2.605 -10.952 12.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -4.404 -11.052 14.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -3.327 -9.804 14.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -4.820 -9.436 13.729 1.00 0.00 H new ATOM 125 N LEU A 8 -3.390 -7.810 7.654 1.00 0.00 N ATOM 126 CA LEU A 8 -4.345 -8.458 6.766 1.00 0.00 C ATOM 127 C LEU A 8 -3.879 -8.383 5.330 1.00 0.00 C ATOM 128 O LEU A 8 -4.045 -9.328 4.553 1.00 0.00 O ATOM 129 CB LEU A 8 -5.738 -7.850 6.931 1.00 0.00 C ATOM 130 CG LEU A 8 -6.271 -8.195 8.331 1.00 0.00 C ATOM 131 CD1 LEU A 8 -7.580 -7.449 8.585 1.00 0.00 C ATOM 132 CD2 LEU A 8 -6.530 -9.703 8.425 1.00 0.00 C ATOM 0 H LEU A 8 -3.740 -6.961 8.097 1.00 0.00 H new ATOM 0 HA LEU A 8 -4.408 -9.511 7.040 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -5.695 -6.769 6.800 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.411 -8.237 6.166 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.531 -7.900 9.075 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -7.953 -7.697 9.579 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -7.405 -6.375 8.521 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -8.317 -7.742 7.837 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -6.908 -9.946 9.418 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -7.266 -9.993 7.676 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -5.600 -10.244 8.248 1.00 0.00 H new ATOM 144 N ILE A 9 -3.297 -7.255 4.978 1.00 0.00 N ATOM 145 CA ILE A 9 -2.817 -7.033 3.629 1.00 0.00 C ATOM 146 C ILE A 9 -1.728 -8.059 3.332 1.00 0.00 C ATOM 147 O ILE A 9 -1.696 -8.665 2.257 1.00 0.00 O ATOM 148 CB ILE A 9 -2.227 -5.620 3.517 1.00 0.00 C ATOM 149 CG1 ILE A 9 -3.322 -4.560 3.738 1.00 0.00 C ATOM 150 CG2 ILE A 9 -1.611 -5.422 2.129 1.00 0.00 C ATOM 151 CD1 ILE A 9 -4.390 -4.631 2.651 1.00 0.00 C ATOM 0 H ILE A 9 -3.144 -6.472 5.613 1.00 0.00 H new ATOM 0 HA ILE A 9 -3.638 -7.134 2.919 1.00 0.00 H new ATOM 0 HB ILE A 9 -1.459 -5.506 4.282 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.783 -4.709 4.714 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -2.873 -3.567 3.746 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.194 -4.418 2.056 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -0.820 -6.155 1.974 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -2.380 -5.552 1.368 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.148 -3.870 2.836 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -3.931 -4.457 1.678 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -4.855 -5.617 2.662 1.00 0.00 H new ATOM 163 N ARG A 10 -0.848 -8.264 4.306 1.00 0.00 N ATOM 164 CA ARG A 10 0.246 -9.207 4.151 1.00 0.00 C ATOM 165 C ARG A 10 -0.306 -10.585 3.845 1.00 0.00 C ATOM 166 O ARG A 10 0.246 -11.323 3.020 1.00 0.00 O ATOM 167 CB ARG A 10 1.032 -9.318 5.457 1.00 0.00 C ATOM 168 CG ARG A 10 2.260 -10.201 5.225 1.00 0.00 C ATOM 169 CD ARG A 10 2.921 -10.525 6.556 1.00 0.00 C ATOM 170 NE ARG A 10 2.046 -11.430 7.308 1.00 0.00 N ATOM 171 CZ ARG A 10 2.323 -11.841 8.542 1.00 0.00 C ATOM 172 NH1 ARG A 10 3.363 -11.380 9.160 1.00 0.00 N ATOM 173 NH2 ARG A 10 1.530 -12.687 9.128 1.00 0.00 N ATOM 0 H ARG A 10 -0.873 -7.789 5.208 1.00 0.00 H new ATOM 0 HA ARG A 10 0.887 -8.853 3.344 1.00 0.00 H new ATOM 0 HB2 ARG A 10 1.338 -8.329 5.797 1.00 0.00 H new ATOM 0 HB3 ARG A 10 0.404 -9.744 6.239 1.00 0.00 H new ATOM 0 HG2 ARG A 10 1.967 -11.122 4.720 1.00 0.00 H new ATOM 0 HG3 ARG A 10 2.968 -9.691 4.572 1.00 0.00 H new ATOM 0 HD2 ARG A 10 3.893 -10.989 6.392 1.00 0.00 H new ATOM 0 HD3 ARG A 10 3.096 -9.611 7.123 1.00 0.00 H new ATOM 0 HE ARG A 10 1.188 -11.758 6.865 1.00 0.00 H new ATOM 0 HH11 ARG A 10 3.970 -10.701 8.700 1.00 0.00 H new ATOM 0 HH12 ARG A 10 3.575 -11.695 10.107 1.00 0.00 H new ATOM 0 HH21 ARG A 10 0.702 -13.031 8.642 1.00 0.00 H new ATOM 0 HH22 ARG A 10 1.735 -13.007 10.074 1.00 0.00 H new ATOM 187 N GLU A 11 -1.338 -10.967 4.578 1.00 0.00 N ATOM 188 CA GLU A 11 -1.890 -12.297 4.445 1.00 0.00 C ATOM 189 C GLU A 11 -2.434 -12.503 3.046 1.00 0.00 C ATOM 190 O GLU A 11 -2.223 -13.561 2.442 1.00 0.00 O ATOM 191 CB GLU A 11 -2.972 -12.550 5.493 1.00 0.00 C ATOM 192 CG GLU A 11 -2.351 -12.504 6.903 1.00 0.00 C ATOM 193 CD GLU A 11 -1.296 -13.588 7.078 1.00 0.00 C ATOM 194 OE1 GLU A 11 -1.603 -14.734 6.835 1.00 0.00 O ATOM 195 OE2 GLU A 11 -0.191 -13.256 7.460 1.00 0.00 O ATOM 0 H GLU A 11 -1.805 -10.377 5.266 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.090 -13.018 4.614 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.758 -11.800 5.407 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.438 -13.521 5.322 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.902 -11.526 7.073 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.133 -12.630 7.652 1.00 0.00 H new ATOM 202 N LYS A 12 -3.030 -11.456 2.479 1.00 0.00 N ATOM 203 CA LYS A 12 -3.497 -11.540 1.104 1.00 0.00 C ATOM 204 C LYS A 12 -2.315 -11.799 0.186 1.00 0.00 C ATOM 205 O LYS A 12 -2.400 -12.610 -0.735 1.00 0.00 O ATOM 206 CB LYS A 12 -4.220 -10.254 0.658 1.00 0.00 C ATOM 207 CG LYS A 12 -5.548 -10.082 1.414 1.00 0.00 C ATOM 208 CD LYS A 12 -6.350 -8.908 0.808 1.00 0.00 C ATOM 209 CE LYS A 12 -5.722 -7.554 1.186 1.00 0.00 C ATOM 210 NZ LYS A 12 -6.630 -6.453 0.760 1.00 0.00 N ATOM 0 H LYS A 12 -3.197 -10.561 2.940 1.00 0.00 H new ATOM 0 HA LYS A 12 -4.213 -12.360 1.045 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -3.580 -9.391 0.838 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.410 -10.292 -0.415 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -6.131 -11.001 1.356 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.354 -9.894 2.470 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.382 -9.007 -0.277 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -7.380 -8.946 1.162 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -5.554 -7.506 2.262 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -4.749 -7.445 0.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -6.075 -5.589 0.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -7.115 -6.724 -0.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -7.335 -6.276 1.504 1.00 0.00 H new ATOM 224 N LYS A 13 -1.201 -11.140 0.471 1.00 0.00 N ATOM 225 CA LYS A 13 0.014 -11.327 -0.312 1.00 0.00 C ATOM 226 C LYS A 13 0.701 -12.646 0.004 1.00 0.00 C ATOM 227 O LYS A 13 1.672 -13.025 -0.659 1.00 0.00 O ATOM 228 CB LYS A 13 0.978 -10.150 -0.172 1.00 0.00 C ATOM 229 CG LYS A 13 0.314 -8.908 -0.776 1.00 0.00 C ATOM 230 CD LYS A 13 1.378 -7.866 -1.140 1.00 0.00 C ATOM 231 CE LYS A 13 0.905 -7.076 -2.359 1.00 0.00 C ATOM 232 NZ LYS A 13 0.456 -8.019 -3.418 1.00 0.00 N ATOM 0 H LYS A 13 -1.112 -10.472 1.237 1.00 0.00 H new ATOM 0 HA LYS A 13 -0.297 -11.366 -1.356 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.219 -9.979 0.877 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.916 -10.365 -0.683 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -0.254 -9.185 -1.664 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -0.394 -8.483 -0.065 1.00 0.00 H new ATOM 0 HD2 LYS A 13 1.550 -7.194 -0.299 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.327 -8.357 -1.355 1.00 0.00 H new ATOM 0 HE2 LYS A 13 0.088 -6.411 -2.080 1.00 0.00 H new ATOM 0 HE3 LYS A 13 1.713 -6.448 -2.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 0.680 -7.623 -4.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 0.945 -8.930 -3.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -0.571 -8.165 -3.340 1.00 0.00 H new ATOM 246 N LYS A 14 0.188 -13.350 1.004 1.00 0.00 N ATOM 247 CA LYS A 14 0.714 -14.659 1.376 1.00 0.00 C ATOM 248 C LYS A 14 2.185 -14.571 1.743 1.00 0.00 C ATOM 249 O LYS A 14 2.996 -15.405 1.316 1.00 0.00 O ATOM 250 CB LYS A 14 0.536 -15.642 0.209 1.00 0.00 C ATOM 251 CG LYS A 14 -0.957 -15.843 -0.086 1.00 0.00 C ATOM 252 CD LYS A 14 -1.119 -16.696 -1.356 1.00 0.00 C ATOM 253 CE LYS A 14 -0.967 -18.191 -1.021 1.00 0.00 C ATOM 254 NZ LYS A 14 -1.813 -18.531 0.152 1.00 0.00 N ATOM 0 H LYS A 14 -0.596 -13.035 1.576 1.00 0.00 H new ATOM 0 HA LYS A 14 0.160 -15.014 2.245 1.00 0.00 H new ATOM 0 HB2 LYS A 14 1.042 -15.261 -0.678 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.998 -16.598 0.454 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.443 -16.333 0.758 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.446 -14.878 -0.219 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -2.097 -16.514 -1.802 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.373 -16.405 -2.095 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.258 -18.797 -1.879 1.00 0.00 H new ATOM 0 HE3 LYS A 14 0.077 -18.421 -0.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.065 -19.539 0.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.287 -18.336 1.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.680 -17.956 0.133 1.00 0.00 H new ATOM 268 N ILE A 15 2.536 -13.585 2.544 1.00 0.00 N ATOM 269 CA ILE A 15 3.919 -13.430 2.950 1.00 0.00 C ATOM 270 C ILE A 15 4.126 -14.026 4.329 1.00 0.00 C ATOM 271 O ILE A 15 3.470 -13.631 5.301 1.00 0.00 O ATOM 272 CB ILE A 15 4.315 -11.952 2.947 1.00 0.00 C ATOM 273 CG1 ILE A 15 4.054 -11.363 1.565 1.00 0.00 C ATOM 274 CG2 ILE A 15 5.805 -11.795 3.285 1.00 0.00 C ATOM 275 CD1 ILE A 15 4.371 -9.869 1.597 1.00 0.00 C ATOM 0 H ILE A 15 1.894 -12.888 2.922 1.00 0.00 H new ATOM 0 HA ILE A 15 4.553 -13.959 2.238 1.00 0.00 H new ATOM 0 HB ILE A 15 3.723 -11.428 3.697 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.671 -11.864 0.819 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.015 -11.522 1.277 1.00 0.00 H new ATOM 0 HG21 ILE A 15 6.070 -10.738 3.279 1.00 0.00 H new ATOM 0 HG22 ILE A 15 6.000 -12.212 4.273 1.00 0.00 H new ATOM 0 HG23 ILE A 15 6.404 -12.324 2.544 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.188 -9.437 0.613 1.00 0.00 H new ATOM 0 HD12 ILE A 15 3.735 -9.378 2.333 1.00 0.00 H new ATOM 0 HD13 ILE A 15 5.417 -9.725 1.868 1.00 0.00 H new ATOM 287 N SER A 16 5.021 -14.983 4.401 1.00 0.00 N ATOM 288 CA SER A 16 5.339 -15.655 5.642 1.00 0.00 C ATOM 289 C SER A 16 6.273 -14.778 6.473 1.00 0.00 C ATOM 290 O SER A 16 6.932 -13.885 5.932 1.00 0.00 O ATOM 291 CB SER A 16 6.004 -16.992 5.324 1.00 0.00 C ATOM 292 OG SER A 16 5.341 -17.577 4.192 1.00 0.00 O ATOM 0 H SER A 16 5.552 -15.320 3.598 1.00 0.00 H new ATOM 0 HA SER A 16 4.430 -15.834 6.216 1.00 0.00 H new ATOM 0 HB2 SER A 16 7.062 -16.846 5.108 1.00 0.00 H new ATOM 0 HB3 SER A 16 5.943 -17.659 6.184 1.00 0.00 H new ATOM 0 HG SER A 16 5.628 -17.122 3.373 1.00 0.00 H new ATOM 298 N GLN A 17 6.347 -15.030 7.775 1.00 0.00 N ATOM 299 CA GLN A 17 7.214 -14.228 8.635 1.00 0.00 C ATOM 300 C GLN A 17 8.636 -14.233 8.092 1.00 0.00 C ATOM 301 O GLN A 17 9.272 -13.191 7.989 1.00 0.00 O ATOM 302 CB GLN A 17 7.214 -14.778 10.071 1.00 0.00 C ATOM 303 CG GLN A 17 5.853 -14.542 10.746 1.00 0.00 C ATOM 304 CD GLN A 17 5.621 -13.053 10.982 1.00 0.00 C ATOM 305 OE1 GLN A 17 4.503 -12.567 10.829 1.00 0.00 O ATOM 306 NE2 GLN A 17 6.612 -12.295 11.339 1.00 0.00 N ATOM 0 H GLN A 17 5.829 -15.768 8.252 1.00 0.00 H new ATOM 0 HA GLN A 17 6.832 -13.207 8.648 1.00 0.00 H new ATOM 0 HB2 GLN A 17 7.438 -15.845 10.057 1.00 0.00 H new ATOM 0 HB3 GLN A 17 8.001 -14.295 10.650 1.00 0.00 H new ATOM 0 HG2 GLN A 17 5.056 -14.945 10.121 1.00 0.00 H new ATOM 0 HG3 GLN A 17 5.814 -15.076 11.695 1.00 0.00 H new ATOM 0 HE21 GLN A 17 7.541 -12.696 11.467 1.00 0.00 H new ATOM 0 HE22 GLN A 17 6.462 -11.298 11.492 1.00 0.00 H new ATOM 315 N SER A 18 9.087 -15.391 7.660 1.00 0.00 N ATOM 316 CA SER A 18 10.399 -15.527 7.055 1.00 0.00 C ATOM 317 C SER A 18 10.490 -14.704 5.776 1.00 0.00 C ATOM 318 O SER A 18 11.486 -14.013 5.529 1.00 0.00 O ATOM 319 CB SER A 18 10.681 -17.000 6.764 1.00 0.00 C ATOM 320 OG SER A 18 9.481 -17.629 6.287 1.00 0.00 O ATOM 0 H SER A 18 8.559 -16.262 7.717 1.00 0.00 H new ATOM 0 HA SER A 18 11.149 -15.152 7.752 1.00 0.00 H new ATOM 0 HB2 SER A 18 11.473 -17.090 6.020 1.00 0.00 H new ATOM 0 HB3 SER A 18 11.033 -17.500 7.666 1.00 0.00 H new ATOM 0 HG SER A 18 9.660 -18.574 6.098 1.00 0.00 H new ATOM 326 N GLU A 19 9.427 -14.740 4.991 1.00 0.00 N ATOM 327 CA GLU A 19 9.355 -13.965 3.766 1.00 0.00 C ATOM 328 C GLU A 19 9.312 -12.488 4.107 1.00 0.00 C ATOM 329 O GLU A 19 10.071 -11.683 3.557 1.00 0.00 O ATOM 330 CB GLU A 19 8.111 -14.365 2.983 1.00 0.00 C ATOM 331 CG GLU A 19 8.284 -15.797 2.479 1.00 0.00 C ATOM 332 CD GLU A 19 7.030 -16.263 1.787 1.00 0.00 C ATOM 333 OE1 GLU A 19 5.965 -16.069 2.330 1.00 0.00 O ATOM 334 OE2 GLU A 19 7.147 -16.825 0.729 1.00 0.00 O ATOM 0 H GLU A 19 8.597 -15.302 5.183 1.00 0.00 H new ATOM 0 HA GLU A 19 10.234 -14.161 3.153 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.227 -14.292 3.617 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.959 -13.686 2.144 1.00 0.00 H new ATOM 0 HG2 GLU A 19 9.128 -15.848 1.791 1.00 0.00 H new ATOM 0 HG3 GLU A 19 8.514 -16.458 3.314 1.00 0.00 H new ATOM 341 N LEU A 20 8.529 -12.164 5.124 1.00 0.00 N ATOM 342 CA LEU A 20 8.490 -10.812 5.640 1.00 0.00 C ATOM 343 C LEU A 20 9.865 -10.460 6.167 1.00 0.00 C ATOM 344 O LEU A 20 10.403 -9.396 5.867 1.00 0.00 O ATOM 345 CB LEU A 20 7.447 -10.689 6.761 1.00 0.00 C ATOM 346 CG LEU A 20 7.422 -9.248 7.299 1.00 0.00 C ATOM 347 CD1 LEU A 20 7.082 -8.266 6.173 1.00 0.00 C ATOM 348 CD2 LEU A 20 6.376 -9.132 8.403 1.00 0.00 C ATOM 0 H LEU A 20 7.914 -12.820 5.605 1.00 0.00 H new ATOM 0 HA LEU A 20 8.207 -10.125 4.842 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.462 -10.963 6.384 1.00 0.00 H new ATOM 0 HB3 LEU A 20 7.684 -11.383 7.567 1.00 0.00 H new ATOM 0 HG LEU A 20 8.407 -9.005 7.698 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.068 -7.250 6.568 1.00 0.00 H new ATOM 0 HD12 LEU A 20 7.834 -8.339 5.387 1.00 0.00 H new ATOM 0 HD13 LEU A 20 6.102 -8.509 5.762 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.360 -8.110 8.783 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.395 -9.386 8.002 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.625 -9.817 9.214 1.00 0.00 H new ATOM 360 N ALA A 21 10.470 -11.404 6.881 1.00 0.00 N ATOM 361 CA ALA A 21 11.813 -11.222 7.382 1.00 0.00 C ATOM 362 C ALA A 21 12.742 -10.922 6.225 1.00 0.00 C ATOM 363 O ALA A 21 13.557 -10.010 6.301 1.00 0.00 O ATOM 364 CB ALA A 21 12.291 -12.473 8.120 1.00 0.00 C ATOM 0 H ALA A 21 10.045 -12.300 7.122 1.00 0.00 H new ATOM 0 HA ALA A 21 11.817 -10.388 8.084 1.00 0.00 H new ATOM 0 HB1 ALA A 21 13.304 -12.313 8.488 1.00 0.00 H new ATOM 0 HB2 ALA A 21 11.627 -12.676 8.960 1.00 0.00 H new ATOM 0 HB3 ALA A 21 12.283 -13.323 7.438 1.00 0.00 H new ATOM 370 N ALA A 22 12.542 -11.619 5.113 1.00 0.00 N ATOM 371 CA ALA A 22 13.320 -11.358 3.908 1.00 0.00 C ATOM 372 C ALA A 22 13.150 -9.907 3.491 1.00 0.00 C ATOM 373 O ALA A 22 14.135 -9.202 3.236 1.00 0.00 O ATOM 374 CB ALA A 22 12.872 -12.274 2.765 1.00 0.00 C ATOM 0 H ALA A 22 11.852 -12.365 5.020 1.00 0.00 H new ATOM 0 HA ALA A 22 14.369 -11.557 4.125 1.00 0.00 H new ATOM 0 HB1 ALA A 22 13.465 -12.063 1.875 1.00 0.00 H new ATOM 0 HB2 ALA A 22 13.013 -13.315 3.056 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.818 -12.097 2.549 1.00 0.00 H new ATOM 380 N LEU A 23 11.904 -9.463 3.447 1.00 0.00 N ATOM 381 CA LEU A 23 11.577 -8.079 3.114 1.00 0.00 C ATOM 382 C LEU A 23 12.144 -7.155 4.183 1.00 0.00 C ATOM 383 O LEU A 23 12.636 -6.069 3.892 1.00 0.00 O ATOM 384 CB LEU A 23 10.055 -7.905 3.028 1.00 0.00 C ATOM 385 CG LEU A 23 9.495 -8.708 1.832 1.00 0.00 C ATOM 386 CD1 LEU A 23 7.963 -8.708 1.881 1.00 0.00 C ATOM 387 CD2 LEU A 23 9.955 -8.091 0.502 1.00 0.00 C ATOM 0 H LEU A 23 11.090 -10.047 3.640 1.00 0.00 H new ATOM 0 HA LEU A 23 12.014 -7.828 2.148 1.00 0.00 H new ATOM 0 HB2 LEU A 23 9.590 -8.244 3.953 1.00 0.00 H new ATOM 0 HB3 LEU A 23 9.808 -6.849 2.915 1.00 0.00 H new ATOM 0 HG LEU A 23 9.870 -9.729 1.898 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.572 -9.275 1.036 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.629 -9.166 2.812 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.597 -7.682 1.830 1.00 0.00 H new ATOM 0 HD21 LEU A 23 9.550 -8.671 -0.327 1.00 0.00 H new ATOM 0 HD22 LEU A 23 9.598 -7.063 0.435 1.00 0.00 H new ATOM 0 HD23 LEU A 23 11.044 -8.100 0.454 1.00 0.00 H new ATOM 399 N LEU A 24 12.041 -7.600 5.423 1.00 0.00 N ATOM 400 CA LEU A 24 12.486 -6.854 6.610 1.00 0.00 C ATOM 401 C LEU A 24 13.972 -6.467 6.568 1.00 0.00 C ATOM 402 O LEU A 24 14.541 -6.115 7.598 1.00 0.00 O ATOM 403 CB LEU A 24 12.205 -7.674 7.881 1.00 0.00 C ATOM 404 CG LEU A 24 11.072 -7.046 8.714 1.00 0.00 C ATOM 405 CD1 LEU A 24 9.858 -6.768 7.828 1.00 0.00 C ATOM 406 CD2 LEU A 24 10.662 -8.020 9.825 1.00 0.00 C ATOM 0 H LEU A 24 11.638 -8.509 5.649 1.00 0.00 H new ATOM 0 HA LEU A 24 11.917 -5.924 6.620 1.00 0.00 H new ATOM 0 HB2 LEU A 24 11.935 -8.694 7.606 1.00 0.00 H new ATOM 0 HB3 LEU A 24 13.111 -7.736 8.484 1.00 0.00 H new ATOM 0 HG LEU A 24 11.427 -6.110 9.145 1.00 0.00 H new ATOM 0 HD11 LEU A 24 9.064 -6.324 8.428 1.00 0.00 H new ATOM 0 HD12 LEU A 24 10.139 -6.079 7.031 1.00 0.00 H new ATOM 0 HD13 LEU A 24 9.504 -7.702 7.392 1.00 0.00 H new ATOM 0 HD21 LEU A 24 9.860 -7.580 10.417 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.315 -8.953 9.381 1.00 0.00 H new ATOM 0 HD23 LEU A 24 11.519 -8.221 10.467 1.00 0.00 H new ATOM 418 N GLU A 25 14.598 -6.505 5.400 1.00 0.00 N ATOM 419 CA GLU A 25 16.011 -6.122 5.297 1.00 0.00 C ATOM 420 C GLU A 25 16.205 -4.639 5.676 1.00 0.00 C ATOM 421 O GLU A 25 17.331 -4.136 5.730 1.00 0.00 O ATOM 422 CB GLU A 25 16.585 -6.433 3.898 1.00 0.00 C ATOM 423 CG GLU A 25 18.127 -6.271 3.909 1.00 0.00 C ATOM 424 CD GLU A 25 18.775 -7.284 4.837 1.00 0.00 C ATOM 425 OE1 GLU A 25 18.279 -8.385 4.925 1.00 0.00 O ATOM 426 OE2 GLU A 25 19.770 -6.950 5.438 1.00 0.00 O ATOM 0 H GLU A 25 14.165 -6.791 4.522 1.00 0.00 H new ATOM 0 HA GLU A 25 16.573 -6.725 6.010 1.00 0.00 H new ATOM 0 HB2 GLU A 25 16.320 -7.449 3.605 1.00 0.00 H new ATOM 0 HB3 GLU A 25 16.146 -5.763 3.159 1.00 0.00 H new ATOM 0 HG2 GLU A 25 18.517 -6.397 2.899 1.00 0.00 H new ATOM 0 HG3 GLU A 25 18.388 -5.262 4.228 1.00 0.00 H new ATOM 433 N VAL A 26 15.120 -3.980 6.041 1.00 0.00 N ATOM 434 CA VAL A 26 15.180 -2.606 6.518 1.00 0.00 C ATOM 435 C VAL A 26 15.047 -2.614 8.036 1.00 0.00 C ATOM 436 O VAL A 26 14.601 -3.608 8.606 1.00 0.00 O ATOM 437 CB VAL A 26 14.054 -1.773 5.877 1.00 0.00 C ATOM 438 CG1 VAL A 26 14.333 -1.610 4.377 1.00 0.00 C ATOM 439 CG2 VAL A 26 12.707 -2.493 6.055 1.00 0.00 C ATOM 0 H VAL A 26 14.180 -4.375 6.017 1.00 0.00 H new ATOM 0 HA VAL A 26 16.132 -2.154 6.239 1.00 0.00 H new ATOM 0 HB VAL A 26 14.014 -0.796 6.359 1.00 0.00 H new ATOM 0 HG11 VAL A 26 13.537 -1.021 3.921 1.00 0.00 H new ATOM 0 HG12 VAL A 26 15.287 -1.101 4.238 1.00 0.00 H new ATOM 0 HG13 VAL A 26 14.373 -2.592 3.906 1.00 0.00 H new ATOM 0 HG21 VAL A 26 11.914 -1.899 5.600 1.00 0.00 H new ATOM 0 HG22 VAL A 26 12.750 -3.470 5.574 1.00 0.00 H new ATOM 0 HG23 VAL A 26 12.500 -2.621 7.118 1.00 0.00 H new ATOM 449 N SER A 27 15.561 -1.582 8.692 1.00 0.00 N ATOM 450 CA SER A 27 15.644 -1.579 10.150 1.00 0.00 C ATOM 451 C SER A 27 14.379 -2.157 10.773 1.00 0.00 C ATOM 452 O SER A 27 13.270 -1.628 10.587 1.00 0.00 O ATOM 453 CB SER A 27 15.879 -0.156 10.654 1.00 0.00 C ATOM 454 OG SER A 27 16.966 0.432 9.934 1.00 0.00 O ATOM 0 H SER A 27 15.925 -0.741 8.244 1.00 0.00 H new ATOM 0 HA SER A 27 16.483 -2.208 10.447 1.00 0.00 H new ATOM 0 HB2 SER A 27 14.977 0.441 10.523 1.00 0.00 H new ATOM 0 HB3 SER A 27 16.100 -0.169 11.721 1.00 0.00 H new ATOM 0 HG SER A 27 17.116 1.345 10.256 1.00 0.00 H new ATOM 460 N ARG A 28 14.551 -3.244 11.503 1.00 0.00 N ATOM 461 CA ARG A 28 13.444 -3.934 12.137 1.00 0.00 C ATOM 462 C ARG A 28 12.822 -3.097 13.234 1.00 0.00 C ATOM 463 O ARG A 28 11.620 -3.148 13.450 1.00 0.00 O ATOM 464 CB ARG A 28 13.889 -5.292 12.682 1.00 0.00 C ATOM 465 CG ARG A 28 13.641 -6.382 11.632 1.00 0.00 C ATOM 466 CD ARG A 28 14.549 -6.168 10.408 1.00 0.00 C ATOM 467 NE ARG A 28 15.937 -5.899 10.807 1.00 0.00 N ATOM 468 CZ ARG A 28 16.886 -5.601 9.908 1.00 0.00 C ATOM 469 NH1 ARG A 28 16.590 -5.514 8.643 1.00 0.00 N ATOM 470 NH2 ARG A 28 18.104 -5.382 10.302 1.00 0.00 N ATOM 0 H ARG A 28 15.461 -3.672 11.673 1.00 0.00 H new ATOM 0 HA ARG A 28 12.683 -4.101 11.375 1.00 0.00 H new ATOM 0 HB2 ARG A 28 14.947 -5.260 12.943 1.00 0.00 H new ATOM 0 HB3 ARG A 28 13.342 -5.524 13.596 1.00 0.00 H new ATOM 0 HG2 ARG A 28 13.831 -7.363 12.066 1.00 0.00 H new ATOM 0 HG3 ARG A 28 12.596 -6.367 11.324 1.00 0.00 H new ATOM 0 HD2 ARG A 28 14.517 -7.052 9.771 1.00 0.00 H new ATOM 0 HD3 ARG A 28 14.172 -5.335 9.815 1.00 0.00 H new ATOM 0 HE ARG A 28 16.186 -5.940 11.795 1.00 0.00 H new ATOM 0 HH11 ARG A 28 15.632 -5.673 8.331 1.00 0.00 H new ATOM 0 HH12 ARG A 28 17.316 -5.287 7.964 1.00 0.00 H new ATOM 0 HH21 ARG A 28 18.337 -5.437 11.294 1.00 0.00 H new ATOM 0 HH22 ARG A 28 18.828 -5.155 9.620 1.00 0.00 H new ATOM 484 N GLN A 29 13.647 -2.359 13.951 1.00 0.00 N ATOM 485 CA GLN A 29 13.167 -1.556 15.071 1.00 0.00 C ATOM 486 C GLN A 29 11.873 -0.850 14.695 1.00 0.00 C ATOM 487 O GLN A 29 10.906 -0.850 15.461 1.00 0.00 O ATOM 488 CB GLN A 29 14.224 -0.522 15.441 1.00 0.00 C ATOM 489 CG GLN A 29 15.532 -1.240 15.787 1.00 0.00 C ATOM 490 CD GLN A 29 16.500 -1.111 14.623 1.00 0.00 C ATOM 491 OE1 GLN A 29 16.180 -1.536 13.510 1.00 0.00 O ATOM 492 NE2 GLN A 29 17.653 -0.551 14.802 1.00 0.00 N ATOM 0 H GLN A 29 14.651 -2.295 13.783 1.00 0.00 H new ATOM 0 HA GLN A 29 12.977 -2.209 15.923 1.00 0.00 H new ATOM 0 HB2 GLN A 29 14.382 0.167 14.611 1.00 0.00 H new ATOM 0 HB3 GLN A 29 13.886 0.073 16.290 1.00 0.00 H new ATOM 0 HG2 GLN A 29 15.969 -0.809 16.688 1.00 0.00 H new ATOM 0 HG3 GLN A 29 15.338 -2.292 15.998 1.00 0.00 H new ATOM 0 HE21 GLN A 29 17.912 -0.201 15.724 1.00 0.00 H new ATOM 0 HE22 GLN A 29 18.302 -0.459 14.021 1.00 0.00 H new ATOM 501 N THR A 30 11.841 -0.301 13.497 1.00 0.00 N ATOM 502 CA THR A 30 10.657 0.376 13.005 1.00 0.00 C ATOM 503 C THR A 30 9.469 -0.589 12.895 1.00 0.00 C ATOM 504 O THR A 30 8.387 -0.317 13.431 1.00 0.00 O ATOM 505 CB THR A 30 10.964 1.024 11.649 1.00 0.00 C ATOM 506 OG1 THR A 30 12.271 0.617 11.217 1.00 0.00 O ATOM 507 CG2 THR A 30 10.928 2.551 11.774 1.00 0.00 C ATOM 0 H THR A 30 12.624 -0.311 12.844 1.00 0.00 H new ATOM 0 HA THR A 30 10.377 1.153 13.716 1.00 0.00 H new ATOM 0 HB THR A 30 10.215 0.707 10.924 1.00 0.00 H new ATOM 0 HG1 THR A 30 12.205 -0.229 10.727 1.00 0.00 H new ATOM 0 HG21 THR A 30 11.147 3.001 10.806 1.00 0.00 H new ATOM 0 HG22 THR A 30 9.938 2.866 12.104 1.00 0.00 H new ATOM 0 HG23 THR A 30 11.673 2.874 12.501 1.00 0.00 H new ATOM 515 N ILE A 31 9.683 -1.731 12.247 1.00 0.00 N ATOM 516 CA ILE A 31 8.635 -2.729 12.126 1.00 0.00 C ATOM 517 C ILE A 31 8.347 -3.340 13.489 1.00 0.00 C ATOM 518 O ILE A 31 7.205 -3.451 13.896 1.00 0.00 O ATOM 519 CB ILE A 31 9.012 -3.810 11.073 1.00 0.00 C ATOM 520 CG1 ILE A 31 7.740 -4.355 10.384 1.00 0.00 C ATOM 521 CG2 ILE A 31 9.805 -4.967 11.707 1.00 0.00 C ATOM 522 CD1 ILE A 31 7.145 -5.520 11.186 1.00 0.00 C ATOM 0 H ILE A 31 10.566 -1.983 11.803 1.00 0.00 H new ATOM 0 HA ILE A 31 7.724 -2.248 11.770 1.00 0.00 H new ATOM 0 HB ILE A 31 9.650 -3.335 10.327 1.00 0.00 H new ATOM 0 HG12 ILE A 31 7.002 -3.558 10.289 1.00 0.00 H new ATOM 0 HG13 ILE A 31 7.982 -4.688 9.375 1.00 0.00 H new ATOM 0 HG21 ILE A 31 10.051 -5.703 10.941 1.00 0.00 H new ATOM 0 HG22 ILE A 31 10.724 -4.580 12.147 1.00 0.00 H new ATOM 0 HG23 ILE A 31 9.202 -5.439 12.483 1.00 0.00 H new ATOM 0 HD11 ILE A 31 6.251 -5.888 10.683 1.00 0.00 H new ATOM 0 HD12 ILE A 31 7.878 -6.324 11.258 1.00 0.00 H new ATOM 0 HD13 ILE A 31 6.883 -5.177 12.187 1.00 0.00 H new ATOM 534 N ASN A 32 9.404 -3.613 14.241 1.00 0.00 N ATOM 535 CA ASN A 32 9.274 -4.156 15.589 1.00 0.00 C ATOM 536 C ASN A 32 8.301 -3.325 16.399 1.00 0.00 C ATOM 537 O ASN A 32 7.508 -3.859 17.175 1.00 0.00 O ATOM 538 CB ASN A 32 10.640 -4.202 16.287 1.00 0.00 C ATOM 539 CG ASN A 32 10.481 -4.587 17.756 1.00 0.00 C ATOM 540 OD1 ASN A 32 11.278 -4.166 18.594 1.00 0.00 O ATOM 541 ND2 ASN A 32 9.501 -5.352 18.128 1.00 0.00 N ATOM 0 H ASN A 32 10.367 -3.467 13.939 1.00 0.00 H new ATOM 0 HA ASN A 32 8.890 -5.173 15.514 1.00 0.00 H new ATOM 0 HB2 ASN A 32 11.287 -4.922 15.785 1.00 0.00 H new ATOM 0 HB3 ASN A 32 11.126 -3.229 16.211 1.00 0.00 H new ATOM 0 HD21 ASN A 32 9.394 -5.602 19.111 1.00 0.00 H new ATOM 0 HD22 ASN A 32 8.838 -5.703 17.437 1.00 0.00 H new ATOM 548 N GLY A 33 8.317 -2.025 16.162 1.00 0.00 N ATOM 549 CA GLY A 33 7.392 -1.111 16.820 1.00 0.00 C ATOM 550 C GLY A 33 5.954 -1.631 16.763 1.00 0.00 C ATOM 551 O GLY A 33 5.103 -1.215 17.561 1.00 0.00 O ATOM 0 H GLY A 33 8.964 -1.574 15.515 1.00 0.00 H new ATOM 0 HA2 GLY A 33 7.690 -0.976 17.860 1.00 0.00 H new ATOM 0 HA3 GLY A 33 7.445 -0.132 16.343 1.00 0.00 H new ATOM 555 N ILE A 34 5.695 -2.600 15.881 1.00 0.00 N ATOM 556 CA ILE A 34 4.370 -3.186 15.791 1.00 0.00 C ATOM 557 C ILE A 34 3.995 -3.838 17.104 1.00 0.00 C ATOM 558 O ILE A 34 2.819 -4.031 17.384 1.00 0.00 O ATOM 559 CB ILE A 34 4.256 -4.204 14.642 1.00 0.00 C ATOM 560 CG1 ILE A 34 5.211 -5.388 14.875 1.00 0.00 C ATOM 561 CG2 ILE A 34 4.580 -3.525 13.299 1.00 0.00 C ATOM 562 CD1 ILE A 34 4.966 -6.456 13.805 1.00 0.00 C ATOM 0 H ILE A 34 6.380 -2.986 15.231 1.00 0.00 H new ATOM 0 HA ILE A 34 3.674 -2.375 15.575 1.00 0.00 H new ATOM 0 HB ILE A 34 3.233 -4.580 14.613 1.00 0.00 H new ATOM 0 HG12 ILE A 34 6.246 -5.048 14.835 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.051 -5.809 15.868 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.496 -4.254 12.493 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.878 -2.710 13.125 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.595 -3.130 13.327 1.00 0.00 H new ATOM 0 HD11 ILE A 34 5.641 -7.296 13.968 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.934 -6.803 13.866 1.00 0.00 H new ATOM 0 HD13 ILE A 34 5.148 -6.031 12.818 1.00 0.00 H new ATOM 574 N GLU A 35 4.990 -4.167 17.925 1.00 0.00 N ATOM 575 CA GLU A 35 4.685 -4.778 19.204 1.00 0.00 C ATOM 576 C GLU A 35 3.690 -3.915 19.970 1.00 0.00 C ATOM 577 O GLU A 35 2.656 -4.408 20.418 1.00 0.00 O ATOM 578 CB GLU A 35 5.957 -5.037 20.039 1.00 0.00 C ATOM 579 CG GLU A 35 6.704 -3.727 20.327 1.00 0.00 C ATOM 580 CD GLU A 35 7.942 -4.018 21.145 1.00 0.00 C ATOM 581 OE1 GLU A 35 8.837 -4.642 20.632 1.00 0.00 O ATOM 582 OE2 GLU A 35 7.984 -3.618 22.283 1.00 0.00 O ATOM 0 H GLU A 35 5.981 -4.025 17.732 1.00 0.00 H new ATOM 0 HA GLU A 35 4.232 -5.751 19.012 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.687 -5.520 20.978 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.613 -5.724 19.505 1.00 0.00 H new ATOM 0 HG2 GLU A 35 6.980 -3.241 19.391 1.00 0.00 H new ATOM 0 HG3 GLU A 35 6.054 -3.037 20.865 1.00 0.00 H new ATOM 589 N LYS A 36 3.937 -2.606 20.005 1.00 0.00 N ATOM 590 CA LYS A 36 2.975 -1.682 20.599 1.00 0.00 C ATOM 591 C LYS A 36 2.096 -1.043 19.530 1.00 0.00 C ATOM 592 O LYS A 36 1.027 -0.517 19.828 1.00 0.00 O ATOM 593 CB LYS A 36 3.693 -0.589 21.410 1.00 0.00 C ATOM 594 CG LYS A 36 4.790 0.078 20.555 1.00 0.00 C ATOM 595 CD LYS A 36 5.058 1.508 21.066 1.00 0.00 C ATOM 596 CE LYS A 36 6.306 1.535 21.961 1.00 0.00 C ATOM 597 NZ LYS A 36 6.127 0.608 23.109 1.00 0.00 N ATOM 0 H LYS A 36 4.781 -2.168 19.635 1.00 0.00 H new ATOM 0 HA LYS A 36 2.339 -2.257 21.272 1.00 0.00 H new ATOM 0 HB2 LYS A 36 2.974 0.160 21.740 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.135 -1.023 22.307 1.00 0.00 H new ATOM 0 HG2 LYS A 36 5.706 -0.511 20.600 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.481 0.108 19.510 1.00 0.00 H new ATOM 0 HD2 LYS A 36 5.195 2.183 20.221 1.00 0.00 H new ATOM 0 HD3 LYS A 36 4.195 1.868 21.625 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.184 1.247 21.383 1.00 0.00 H new ATOM 0 HE3 LYS A 36 6.482 2.548 22.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 6.843 0.812 23.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.178 0.736 23.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 6.235 -0.374 22.783 1.00 0.00 H new ATOM 611 N ASN A 37 2.565 -1.087 18.287 1.00 0.00 N ATOM 612 CA ASN A 37 1.834 -0.514 17.150 1.00 0.00 C ATOM 613 C ASN A 37 0.988 -1.560 16.439 1.00 0.00 C ATOM 614 O ASN A 37 0.790 -1.465 15.235 1.00 0.00 O ATOM 615 CB ASN A 37 2.782 0.158 16.149 1.00 0.00 C ATOM 616 CG ASN A 37 2.044 1.289 15.443 1.00 0.00 C ATOM 617 OD1 ASN A 37 2.203 2.458 15.812 1.00 0.00 O ATOM 618 ND2 ASN A 37 1.221 1.018 14.474 1.00 0.00 N ATOM 0 H ASN A 37 3.455 -1.516 18.035 1.00 0.00 H new ATOM 0 HA ASN A 37 1.169 0.246 17.560 1.00 0.00 H new ATOM 0 HB2 ASN A 37 3.660 0.547 16.665 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.138 -0.571 15.421 1.00 0.00 H new ATOM 0 HD21 ASN A 37 0.706 1.770 14.017 1.00 0.00 H new ATOM 0 HD22 ASN A 37 1.091 0.053 14.170 1.00 0.00 H new ATOM 625 N LYS A 38 0.734 -2.669 17.119 1.00 0.00 N ATOM 626 CA LYS A 38 0.161 -3.874 16.498 1.00 0.00 C ATOM 627 C LYS A 38 -1.018 -3.541 15.568 1.00 0.00 C ATOM 628 O LYS A 38 -1.219 -4.206 14.546 1.00 0.00 O ATOM 629 CB LYS A 38 -0.249 -4.888 17.571 1.00 0.00 C ATOM 630 CG LYS A 38 -0.179 -6.309 16.994 1.00 0.00 C ATOM 631 CD LYS A 38 1.297 -6.735 16.865 1.00 0.00 C ATOM 632 CE LYS A 38 1.386 -8.185 16.380 1.00 0.00 C ATOM 633 NZ LYS A 38 1.061 -9.106 17.500 1.00 0.00 N ATOM 0 H LYS A 38 0.916 -2.768 18.118 1.00 0.00 H new ATOM 0 HA LYS A 38 0.936 -4.323 15.876 1.00 0.00 H new ATOM 0 HB2 LYS A 38 0.409 -4.803 18.436 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.260 -4.676 17.918 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.715 -7.003 17.641 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.666 -6.342 16.019 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.814 -6.077 16.166 1.00 0.00 H new ATOM 0 HD3 LYS A 38 1.798 -6.634 17.828 1.00 0.00 H new ATOM 0 HE2 LYS A 38 0.695 -8.345 15.552 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.388 -8.393 16.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 1.268 -10.085 17.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.635 -8.858 18.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 0.052 -9.021 17.738 1.00 0.00 H new ATOM 647 N TYR A 39 -1.730 -2.467 15.878 1.00 0.00 N ATOM 648 CA TYR A 39 -2.782 -1.939 14.992 1.00 0.00 C ATOM 649 C TYR A 39 -2.153 -1.548 13.653 1.00 0.00 C ATOM 650 O TYR A 39 -0.992 -1.856 13.406 1.00 0.00 O ATOM 651 CB TYR A 39 -3.520 -0.736 15.626 1.00 0.00 C ATOM 652 CG TYR A 39 -2.678 -0.140 16.730 1.00 0.00 C ATOM 653 CD1 TYR A 39 -2.726 -0.689 18.017 1.00 0.00 C ATOM 654 CD2 TYR A 39 -1.839 0.946 16.464 1.00 0.00 C ATOM 655 CE1 TYR A 39 -1.940 -0.151 19.035 1.00 0.00 C ATOM 656 CE2 TYR A 39 -1.049 1.481 17.483 1.00 0.00 C ATOM 657 CZ TYR A 39 -1.101 0.933 18.768 1.00 0.00 C ATOM 658 OH TYR A 39 -0.314 1.449 19.767 1.00 0.00 O ATOM 0 H TYR A 39 -1.604 -1.935 16.739 1.00 0.00 H new ATOM 0 HA TYR A 39 -3.529 -2.717 14.835 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -3.725 0.018 14.866 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -4.483 -1.057 16.024 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.372 -1.530 18.221 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -1.802 1.370 15.472 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -1.980 -0.572 20.029 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -0.398 2.318 17.279 1.00 0.00 H new ATOM 0 HH TYR A 39 0.214 0.729 20.172 1.00 0.00 H new ATOM 668 N ASN A 40 -2.925 -0.997 12.735 1.00 0.00 N ATOM 669 CA ASN A 40 -2.366 -0.735 11.412 1.00 0.00 C ATOM 670 C ASN A 40 -1.157 0.197 11.526 1.00 0.00 C ATOM 671 O ASN A 40 -1.201 1.196 12.253 1.00 0.00 O ATOM 672 CB ASN A 40 -3.411 -0.123 10.471 1.00 0.00 C ATOM 673 CG ASN A 40 -3.133 -0.565 9.034 1.00 0.00 C ATOM 674 OD1 ASN A 40 -2.521 -1.612 8.809 1.00 0.00 O ATOM 675 ND2 ASN A 40 -3.549 0.156 8.048 1.00 0.00 N ATOM 0 H ASN A 40 -3.901 -0.730 12.865 1.00 0.00 H new ATOM 0 HA ASN A 40 -2.050 -1.689 10.989 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -4.411 -0.435 10.771 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -3.383 0.965 10.539 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -3.371 -0.141 7.088 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -4.056 1.023 8.228 1.00 0.00 H new ATOM 682 N PRO A 41 -0.044 -0.180 10.920 1.00 0.00 N ATOM 683 CA PRO A 41 1.249 0.572 11.047 1.00 0.00 C ATOM 684 C PRO A 41 1.149 2.009 10.556 1.00 0.00 C ATOM 685 O PRO A 41 0.350 2.325 9.668 1.00 0.00 O ATOM 686 CB PRO A 41 2.229 -0.219 10.166 1.00 0.00 C ATOM 687 CG PRO A 41 1.641 -1.585 10.070 1.00 0.00 C ATOM 688 CD PRO A 41 0.129 -1.391 10.086 1.00 0.00 C ATOM 0 HA PRO A 41 1.557 0.648 12.090 1.00 0.00 H new ATOM 0 HB2 PRO A 41 2.332 0.237 9.181 1.00 0.00 H new ATOM 0 HB3 PRO A 41 3.224 -0.248 10.609 1.00 0.00 H new ATOM 0 HG2 PRO A 41 1.961 -2.085 9.156 1.00 0.00 H new ATOM 0 HG3 PRO A 41 1.964 -2.209 10.904 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -0.270 -1.249 9.082 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -0.384 -2.252 10.514 1.00 0.00 H new ATOM 696 N SER A 42 1.959 2.874 11.140 1.00 0.00 N ATOM 697 CA SER A 42 1.986 4.271 10.758 1.00 0.00 C ATOM 698 C SER A 42 2.357 4.384 9.280 1.00 0.00 C ATOM 699 O SER A 42 3.062 3.525 8.744 1.00 0.00 O ATOM 700 CB SER A 42 3.002 5.016 11.621 1.00 0.00 C ATOM 701 OG SER A 42 2.877 4.566 12.974 1.00 0.00 O ATOM 0 H SER A 42 2.610 2.629 11.886 1.00 0.00 H new ATOM 0 HA SER A 42 1.003 4.716 10.911 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.013 4.835 11.255 1.00 0.00 H new ATOM 0 HB3 SER A 42 2.830 6.091 11.563 1.00 0.00 H new ATOM 0 HG SER A 42 3.526 5.037 13.537 1.00 0.00 H new ATOM 707 N LEU A 43 1.827 5.393 8.609 1.00 0.00 N ATOM 708 CA LEU A 43 2.001 5.517 7.166 1.00 0.00 C ATOM 709 C LEU A 43 3.467 5.633 6.788 1.00 0.00 C ATOM 710 O LEU A 43 3.911 5.032 5.810 1.00 0.00 O ATOM 711 CB LEU A 43 1.203 6.704 6.608 1.00 0.00 C ATOM 712 CG LEU A 43 -0.274 6.300 6.385 1.00 0.00 C ATOM 713 CD1 LEU A 43 -0.370 5.170 5.348 1.00 0.00 C ATOM 714 CD2 LEU A 43 -0.901 5.835 7.706 1.00 0.00 C ATOM 0 H LEU A 43 1.274 6.137 9.035 1.00 0.00 H new ATOM 0 HA LEU A 43 1.611 4.604 6.716 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.257 7.545 7.300 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.642 7.036 5.667 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.815 7.171 6.015 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.415 4.897 5.203 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.052 5.508 4.402 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.185 4.302 5.703 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.940 5.553 7.536 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.350 4.976 8.088 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.859 6.645 8.434 1.00 0.00 H new ATOM 726 N GLN A 44 4.224 6.374 7.567 1.00 0.00 N ATOM 727 CA GLN A 44 5.651 6.516 7.300 1.00 0.00 C ATOM 728 C GLN A 44 6.290 5.130 7.270 1.00 0.00 C ATOM 729 O GLN A 44 6.967 4.758 6.304 1.00 0.00 O ATOM 730 CB GLN A 44 6.283 7.352 8.411 1.00 0.00 C ATOM 731 CG GLN A 44 5.472 8.643 8.594 1.00 0.00 C ATOM 732 CD GLN A 44 4.549 8.501 9.796 1.00 0.00 C ATOM 733 OE1 GLN A 44 3.623 7.674 9.768 1.00 0.00 O ATOM 734 NE2 GLN A 44 4.735 9.235 10.849 1.00 0.00 N ATOM 0 H GLN A 44 3.887 6.885 8.383 1.00 0.00 H new ATOM 0 HA GLN A 44 5.808 7.009 6.341 1.00 0.00 H new ATOM 0 HB2 GLN A 44 6.303 6.786 9.342 1.00 0.00 H new ATOM 0 HB3 GLN A 44 7.317 7.590 8.160 1.00 0.00 H new ATOM 0 HG2 GLN A 44 6.144 9.489 8.737 1.00 0.00 H new ATOM 0 HG3 GLN A 44 4.888 8.848 7.697 1.00 0.00 H new ATOM 0 HE21 GLN A 44 5.496 9.914 10.870 1.00 0.00 H new ATOM 0 HE22 GLN A 44 4.120 9.134 11.656 1.00 0.00 H new ATOM 743 N LEU A 45 5.971 4.337 8.284 1.00 0.00 N ATOM 744 CA LEU A 45 6.373 2.936 8.339 1.00 0.00 C ATOM 745 C LEU A 45 5.684 2.141 7.227 1.00 0.00 C ATOM 746 O LEU A 45 6.282 1.256 6.606 1.00 0.00 O ATOM 747 CB LEU A 45 6.018 2.336 9.713 1.00 0.00 C ATOM 748 CG LEU A 45 6.442 0.857 9.777 1.00 0.00 C ATOM 749 CD1 LEU A 45 7.951 0.733 9.541 1.00 0.00 C ATOM 750 CD2 LEU A 45 6.094 0.286 11.155 1.00 0.00 C ATOM 0 H LEU A 45 5.428 4.645 9.090 1.00 0.00 H new ATOM 0 HA LEU A 45 7.452 2.878 8.195 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.516 2.899 10.503 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.946 2.422 9.889 1.00 0.00 H new ATOM 0 HG LEU A 45 5.912 0.300 9.004 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.242 -0.316 9.588 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.200 1.135 8.559 1.00 0.00 H new ATOM 0 HD13 LEU A 45 8.486 1.292 10.308 1.00 0.00 H new ATOM 0 HD21 LEU A 45 6.394 -0.761 11.201 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.621 0.849 11.926 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.019 0.363 11.320 1.00 0.00 H new ATOM 762 N ALA A 46 4.391 2.407 7.053 1.00 0.00 N ATOM 763 CA ALA A 46 3.561 1.651 6.129 1.00 0.00 C ATOM 764 C ALA A 46 4.133 1.671 4.736 1.00 0.00 C ATOM 765 O ALA A 46 4.138 0.658 4.060 1.00 0.00 O ATOM 766 CB ALA A 46 2.135 2.205 6.099 1.00 0.00 C ATOM 0 H ALA A 46 3.895 3.149 7.547 1.00 0.00 H new ATOM 0 HA ALA A 46 3.539 0.621 6.485 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.533 1.623 5.401 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.698 2.140 7.096 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.156 3.247 5.779 1.00 0.00 H new ATOM 772 N LEU A 47 4.628 2.816 4.310 1.00 0.00 N ATOM 773 CA LEU A 47 5.195 2.920 2.975 1.00 0.00 C ATOM 774 C LEU A 47 6.394 2.005 2.816 1.00 0.00 C ATOM 775 O LEU A 47 6.503 1.291 1.821 1.00 0.00 O ATOM 776 CB LEU A 47 5.544 4.372 2.614 1.00 0.00 C ATOM 777 CG LEU A 47 4.317 5.078 1.983 1.00 0.00 C ATOM 778 CD1 LEU A 47 4.185 4.667 0.513 1.00 0.00 C ATOM 779 CD2 LEU A 47 3.026 4.704 2.724 1.00 0.00 C ATOM 0 H LEU A 47 4.651 3.677 4.857 1.00 0.00 H new ATOM 0 HA LEU A 47 4.431 2.591 2.271 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.862 4.910 3.507 1.00 0.00 H new ATOM 0 HB3 LEU A 47 6.381 4.389 1.916 1.00 0.00 H new ATOM 0 HG LEU A 47 4.468 6.155 2.060 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.321 5.165 0.072 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.086 4.956 -0.028 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.054 3.587 0.448 1.00 0.00 H new ATOM 0 HD21 LEU A 47 2.180 5.213 2.261 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.875 3.626 2.670 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.105 5.007 3.768 1.00 0.00 H new ATOM 791 N LYS A 48 7.229 1.926 3.841 1.00 0.00 N ATOM 792 CA LYS A 48 8.358 1.003 3.801 1.00 0.00 C ATOM 793 C LYS A 48 7.838 -0.410 3.667 1.00 0.00 C ATOM 794 O LYS A 48 8.278 -1.162 2.796 1.00 0.00 O ATOM 795 CB LYS A 48 9.207 1.134 5.071 1.00 0.00 C ATOM 796 CG LYS A 48 9.862 2.522 5.116 1.00 0.00 C ATOM 797 CD LYS A 48 10.930 2.637 4.013 1.00 0.00 C ATOM 798 CE LYS A 48 11.528 4.048 4.028 1.00 0.00 C ATOM 799 NZ LYS A 48 12.168 4.305 5.337 1.00 0.00 N ATOM 0 H LYS A 48 7.152 2.477 4.696 1.00 0.00 H new ATOM 0 HA LYS A 48 8.988 1.245 2.945 1.00 0.00 H new ATOM 0 HB2 LYS A 48 8.584 0.987 5.953 1.00 0.00 H new ATOM 0 HB3 LYS A 48 9.973 0.359 5.089 1.00 0.00 H new ATOM 0 HG2 LYS A 48 9.105 3.295 4.982 1.00 0.00 H new ATOM 0 HG3 LYS A 48 10.317 2.687 6.093 1.00 0.00 H new ATOM 0 HD2 LYS A 48 11.714 1.896 4.172 1.00 0.00 H new ATOM 0 HD3 LYS A 48 10.487 2.428 3.039 1.00 0.00 H new ATOM 0 HE2 LYS A 48 12.261 4.151 3.228 1.00 0.00 H new ATOM 0 HE3 LYS A 48 10.748 4.786 3.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 12.822 5.109 5.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 11.437 4.526 6.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 12.696 3.461 5.637 1.00 0.00 H new ATOM 813 N ILE A 49 6.809 -0.718 4.433 1.00 0.00 N ATOM 814 CA ILE A 49 6.132 -1.989 4.298 1.00 0.00 C ATOM 815 C ILE A 49 5.471 -2.073 2.922 1.00 0.00 C ATOM 816 O ILE A 49 5.523 -3.105 2.262 1.00 0.00 O ATOM 817 CB ILE A 49 5.083 -2.158 5.416 1.00 0.00 C ATOM 818 CG1 ILE A 49 5.787 -2.261 6.780 1.00 0.00 C ATOM 819 CG2 ILE A 49 4.262 -3.432 5.179 1.00 0.00 C ATOM 820 CD1 ILE A 49 6.695 -3.500 6.814 1.00 0.00 C ATOM 0 H ILE A 49 6.426 -0.106 5.153 1.00 0.00 H new ATOM 0 HA ILE A 49 6.860 -2.795 4.390 1.00 0.00 H new ATOM 0 HB ILE A 49 4.421 -1.292 5.408 1.00 0.00 H new ATOM 0 HG12 ILE A 49 6.377 -1.363 6.962 1.00 0.00 H new ATOM 0 HG13 ILE A 49 5.046 -2.322 7.577 1.00 0.00 H new ATOM 0 HG21 ILE A 49 3.524 -3.542 5.974 1.00 0.00 H new ATOM 0 HG22 ILE A 49 3.753 -3.363 4.218 1.00 0.00 H new ATOM 0 HG23 ILE A 49 4.925 -4.297 5.177 1.00 0.00 H new ATOM 0 HD11 ILE A 49 7.188 -3.563 7.784 1.00 0.00 H new ATOM 0 HD12 ILE A 49 6.095 -4.396 6.653 1.00 0.00 H new ATOM 0 HD13 ILE A 49 7.447 -3.422 6.029 1.00 0.00 H new ATOM 832 N ALA A 50 4.825 -0.981 2.521 1.00 0.00 N ATOM 833 CA ALA A 50 4.087 -0.927 1.267 1.00 0.00 C ATOM 834 C ALA A 50 4.986 -1.186 0.083 1.00 0.00 C ATOM 835 O ALA A 50 4.573 -1.834 -0.877 1.00 0.00 O ATOM 836 CB ALA A 50 3.388 0.426 1.097 1.00 0.00 C ATOM 0 H ALA A 50 4.800 -0.113 3.056 1.00 0.00 H new ATOM 0 HA ALA A 50 3.333 -1.713 1.307 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.845 0.439 0.152 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.690 0.581 1.919 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.132 1.223 1.098 1.00 0.00 H new ATOM 842 N TYR A 51 6.210 -0.670 0.123 1.00 0.00 N ATOM 843 CA TYR A 51 7.106 -0.889 -1.002 1.00 0.00 C ATOM 844 C TYR A 51 7.284 -2.380 -1.198 1.00 0.00 C ATOM 845 O TYR A 51 7.081 -2.902 -2.297 1.00 0.00 O ATOM 846 CB TYR A 51 8.481 -0.243 -0.764 1.00 0.00 C ATOM 847 CG TYR A 51 8.408 1.260 -0.951 1.00 0.00 C ATOM 848 CD1 TYR A 51 8.234 1.803 -2.229 1.00 0.00 C ATOM 849 CD2 TYR A 51 8.532 2.106 0.151 1.00 0.00 C ATOM 850 CE1 TYR A 51 8.185 3.191 -2.399 1.00 0.00 C ATOM 851 CE2 TYR A 51 8.482 3.489 -0.015 1.00 0.00 C ATOM 852 CZ TYR A 51 8.308 4.035 -1.290 1.00 0.00 C ATOM 853 OH TYR A 51 8.265 5.407 -1.449 1.00 0.00 O ATOM 0 H TYR A 51 6.592 -0.118 0.891 1.00 0.00 H new ATOM 0 HA TYR A 51 6.667 -0.430 -1.888 1.00 0.00 H new ATOM 0 HB2 TYR A 51 8.826 -0.472 0.244 1.00 0.00 H new ATOM 0 HB3 TYR A 51 9.211 -0.665 -1.455 1.00 0.00 H new ATOM 0 HD1 TYR A 51 8.138 1.151 -3.084 1.00 0.00 H new ATOM 0 HD2 TYR A 51 8.667 1.688 1.137 1.00 0.00 H new ATOM 0 HE1 TYR A 51 8.052 3.610 -3.385 1.00 0.00 H new ATOM 0 HE2 TYR A 51 8.578 4.139 0.842 1.00 0.00 H new ATOM 0 HH TYR A 51 8.365 5.841 -0.576 1.00 0.00 H new ATOM 863 N TYR A 52 7.561 -3.071 -0.105 1.00 0.00 N ATOM 864 CA TYR A 52 7.652 -4.520 -0.122 1.00 0.00 C ATOM 865 C TYR A 52 6.272 -5.136 -0.309 1.00 0.00 C ATOM 866 O TYR A 52 6.096 -6.096 -1.060 1.00 0.00 O ATOM 867 CB TYR A 52 8.282 -5.024 1.180 1.00 0.00 C ATOM 868 CG TYR A 52 9.710 -4.525 1.276 1.00 0.00 C ATOM 869 CD1 TYR A 52 10.649 -4.892 0.303 1.00 0.00 C ATOM 870 CD2 TYR A 52 10.092 -3.689 2.331 1.00 0.00 C ATOM 871 CE1 TYR A 52 11.962 -4.427 0.389 1.00 0.00 C ATOM 872 CE2 TYR A 52 11.407 -3.223 2.417 1.00 0.00 C ATOM 873 CZ TYR A 52 12.342 -3.593 1.446 1.00 0.00 C ATOM 874 OH TYR A 52 13.641 -3.135 1.528 1.00 0.00 O ATOM 0 H TYR A 52 7.727 -2.649 0.809 1.00 0.00 H new ATOM 0 HA TYR A 52 8.283 -4.819 -0.959 1.00 0.00 H new ATOM 0 HB2 TYR A 52 7.705 -4.673 2.035 1.00 0.00 H new ATOM 0 HB3 TYR A 52 8.263 -6.113 1.208 1.00 0.00 H new ATOM 0 HD1 TYR A 52 10.357 -5.535 -0.514 1.00 0.00 H new ATOM 0 HD2 TYR A 52 9.369 -3.403 3.081 1.00 0.00 H new ATOM 0 HE1 TYR A 52 12.685 -4.711 -0.361 1.00 0.00 H new ATOM 0 HE2 TYR A 52 11.700 -2.578 3.232 1.00 0.00 H new ATOM 0 HH TYR A 52 13.638 -2.164 1.659 1.00 0.00 H new ATOM 884 N LEU A 53 5.309 -4.606 0.422 1.00 0.00 N ATOM 885 CA LEU A 53 3.939 -5.092 0.384 1.00 0.00 C ATOM 886 C LEU A 53 3.158 -4.308 -0.662 1.00 0.00 C ATOM 887 O LEU A 53 2.395 -3.387 -0.335 1.00 0.00 O ATOM 888 CB LEU A 53 3.307 -4.937 1.785 1.00 0.00 C ATOM 889 CG LEU A 53 2.079 -5.849 1.946 1.00 0.00 C ATOM 890 CD1 LEU A 53 2.516 -7.313 1.992 1.00 0.00 C ATOM 891 CD2 LEU A 53 1.363 -5.507 3.252 1.00 0.00 C ATOM 0 H LEU A 53 5.454 -3.824 1.061 1.00 0.00 H new ATOM 0 HA LEU A 53 3.917 -6.147 0.110 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.046 -5.180 2.549 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.015 -3.899 1.942 1.00 0.00 H new ATOM 0 HG LEU A 53 1.410 -5.696 1.099 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.640 -7.951 2.106 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.032 -7.568 1.066 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.188 -7.466 2.836 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.492 -6.152 3.369 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.043 -5.660 4.090 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.043 -4.465 3.229 1.00 0.00 H new ATOM 903 N ASN A 54 3.383 -4.654 -1.921 1.00 0.00 N ATOM 904 CA ASN A 54 2.784 -3.951 -3.050 1.00 0.00 C ATOM 905 C ASN A 54 1.269 -3.997 -3.003 1.00 0.00 C ATOM 906 O ASN A 54 0.628 -4.695 -3.793 1.00 0.00 O ATOM 907 CB ASN A 54 3.294 -4.530 -4.371 1.00 0.00 C ATOM 908 CG ASN A 54 4.500 -3.739 -4.859 1.00 0.00 C ATOM 909 OD1 ASN A 54 4.343 -2.713 -5.531 1.00 0.00 O ATOM 910 ND2 ASN A 54 5.696 -4.139 -4.559 1.00 0.00 N ATOM 0 H ASN A 54 3.987 -5.431 -2.191 1.00 0.00 H new ATOM 0 HA ASN A 54 3.083 -2.905 -2.981 1.00 0.00 H new ATOM 0 HB2 ASN A 54 3.566 -5.577 -4.237 1.00 0.00 H new ATOM 0 HB3 ASN A 54 2.502 -4.500 -5.120 1.00 0.00 H new ATOM 0 HD21 ASN A 54 6.506 -3.608 -4.877 1.00 0.00 H new ATOM 0 HD22 ASN A 54 5.827 -4.985 -4.005 1.00 0.00 H new ATOM 917 N THR A 55 0.708 -3.252 -2.087 1.00 0.00 N ATOM 918 CA THR A 55 -0.727 -3.177 -1.912 1.00 0.00 C ATOM 919 C THR A 55 -1.117 -1.727 -1.648 1.00 0.00 C ATOM 920 O THR A 55 -0.321 -0.968 -1.080 1.00 0.00 O ATOM 921 CB THR A 55 -1.137 -4.068 -0.736 1.00 0.00 C ATOM 922 OG1 THR A 55 -0.009 -4.844 -0.332 1.00 0.00 O ATOM 923 CG2 THR A 55 -2.274 -5.012 -1.153 1.00 0.00 C ATOM 0 H THR A 55 1.235 -2.673 -1.433 1.00 0.00 H new ATOM 0 HA THR A 55 -1.239 -3.524 -2.809 1.00 0.00 H new ATOM 0 HB THR A 55 -1.482 -3.441 0.086 1.00 0.00 H new ATOM 0 HG1 THR A 55 -0.292 -5.766 -0.158 1.00 0.00 H new ATOM 0 HG21 THR A 55 -2.555 -5.639 -0.307 1.00 0.00 H new ATOM 0 HG22 THR A 55 -3.136 -4.425 -1.472 1.00 0.00 H new ATOM 0 HG23 THR A 55 -1.940 -5.643 -1.977 1.00 0.00 H new ATOM 931 N PRO A 56 -2.247 -1.290 -2.141 1.00 0.00 N ATOM 932 CA PRO A 56 -2.631 0.144 -1.993 1.00 0.00 C ATOM 933 C PRO A 56 -2.745 0.539 -0.525 1.00 0.00 C ATOM 934 O PRO A 56 -3.365 -0.173 0.270 1.00 0.00 O ATOM 935 CB PRO A 56 -4.010 0.231 -2.678 1.00 0.00 C ATOM 936 CG PRO A 56 -4.072 -0.968 -3.561 1.00 0.00 C ATOM 937 CD PRO A 56 -3.320 -2.055 -2.809 1.00 0.00 C ATOM 0 HA PRO A 56 -1.891 0.815 -2.429 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -4.817 0.225 -1.945 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -4.109 1.152 -3.253 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -5.104 -1.263 -3.753 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -3.612 -0.769 -4.529 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.959 -2.570 -2.092 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -2.920 -2.813 -3.482 1.00 0.00 H new ATOM 945 N LEU A 57 -2.294 1.739 -0.206 1.00 0.00 N ATOM 946 CA LEU A 57 -2.478 2.272 1.131 1.00 0.00 C ATOM 947 C LEU A 57 -3.962 2.403 1.394 1.00 0.00 C ATOM 948 O LEU A 57 -4.455 2.048 2.454 1.00 0.00 O ATOM 949 CB LEU A 57 -1.790 3.643 1.278 1.00 0.00 C ATOM 950 CG LEU A 57 -0.289 3.461 1.591 1.00 0.00 C ATOM 951 CD1 LEU A 57 -0.113 2.787 2.956 1.00 0.00 C ATOM 952 CD2 LEU A 57 0.386 2.608 0.511 1.00 0.00 C ATOM 0 H LEU A 57 -1.801 2.359 -0.849 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.025 1.595 1.856 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.909 4.217 0.359 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.268 4.213 2.075 1.00 0.00 H new ATOM 0 HG LEU A 57 0.178 4.446 1.610 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.949 2.664 3.167 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.567 3.407 3.729 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.596 1.810 2.944 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.443 2.490 0.748 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.088 1.627 0.473 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.284 3.099 -0.457 1.00 0.00 H new ATOM 964 N GLU A 58 -4.687 2.835 0.387 1.00 0.00 N ATOM 965 CA GLU A 58 -6.121 2.963 0.494 1.00 0.00 C ATOM 966 C GLU A 58 -6.726 1.610 0.868 1.00 0.00 C ATOM 967 O GLU A 58 -7.674 1.537 1.652 1.00 0.00 O ATOM 968 CB GLU A 58 -6.703 3.440 -0.844 1.00 0.00 C ATOM 969 CG GLU A 58 -6.108 4.818 -1.223 1.00 0.00 C ATOM 970 CD GLU A 58 -4.760 4.666 -1.929 1.00 0.00 C ATOM 971 OE1 GLU A 58 -4.272 3.556 -2.035 1.00 0.00 O ATOM 972 OE2 GLU A 58 -4.240 5.660 -2.366 1.00 0.00 O ATOM 0 H GLU A 58 -4.304 3.105 -0.519 1.00 0.00 H new ATOM 0 HA GLU A 58 -6.362 3.694 1.266 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -6.482 2.713 -1.625 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -7.788 3.511 -0.772 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -6.803 5.350 -1.872 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -5.984 5.423 -0.325 1.00 0.00 H new ATOM 979 N ASP A 59 -6.145 0.538 0.333 1.00 0.00 N ATOM 980 CA ASP A 59 -6.608 -0.823 0.618 1.00 0.00 C ATOM 981 C ASP A 59 -6.424 -1.180 2.089 1.00 0.00 C ATOM 982 O ASP A 59 -7.192 -1.969 2.640 1.00 0.00 O ATOM 983 CB ASP A 59 -5.882 -1.856 -0.263 1.00 0.00 C ATOM 984 CG ASP A 59 -6.576 -3.209 -0.180 1.00 0.00 C ATOM 985 OD1 ASP A 59 -7.725 -3.291 -0.573 1.00 0.00 O ATOM 986 OD2 ASP A 59 -5.959 -4.153 0.268 1.00 0.00 O ATOM 0 H ASP A 59 -5.349 0.584 -0.303 1.00 0.00 H new ATOM 0 HA ASP A 59 -7.673 -0.851 0.386 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.865 -1.512 -1.297 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -4.845 -1.952 0.059 1.00 0.00 H new ATOM 991 N ILE A 60 -5.351 -0.684 2.699 1.00 0.00 N ATOM 992 CA ILE A 60 -5.040 -1.042 4.085 1.00 0.00 C ATOM 993 C ILE A 60 -5.935 -0.289 5.067 1.00 0.00 C ATOM 994 O ILE A 60 -6.114 -0.713 6.214 1.00 0.00 O ATOM 995 CB ILE A 60 -3.545 -0.829 4.417 1.00 0.00 C ATOM 996 CG1 ILE A 60 -3.258 0.624 4.813 1.00 0.00 C ATOM 997 CG2 ILE A 60 -2.698 -1.162 3.188 1.00 0.00 C ATOM 998 CD1 ILE A 60 -1.813 0.736 5.289 1.00 0.00 C ATOM 0 H ILE A 60 -4.688 -0.041 2.265 1.00 0.00 H new ATOM 0 HA ILE A 60 -5.245 -2.107 4.193 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.296 -1.481 5.254 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -3.426 1.285 3.963 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.940 0.940 5.603 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.644 -1.012 3.421 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -2.862 -2.201 2.903 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.983 -0.510 2.362 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.602 1.767 5.572 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.662 0.085 6.150 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -1.141 0.436 4.485 1.00 0.00 H new ATOM 1010 N PHE A 61 -6.495 0.830 4.619 1.00 0.00 N ATOM 1011 CA PHE A 61 -7.379 1.611 5.474 1.00 0.00 C ATOM 1012 C PHE A 61 -8.638 0.832 5.773 1.00 0.00 C ATOM 1013 O PHE A 61 -9.108 0.058 4.939 1.00 0.00 O ATOM 1014 CB PHE A 61 -7.726 2.972 4.848 1.00 0.00 C ATOM 1015 CG PHE A 61 -6.617 3.955 5.148 1.00 0.00 C ATOM 1016 CD1 PHE A 61 -6.607 4.648 6.365 1.00 0.00 C ATOM 1017 CD2 PHE A 61 -5.601 4.166 4.218 1.00 0.00 C ATOM 1018 CE1 PHE A 61 -5.576 5.550 6.647 1.00 0.00 C ATOM 1019 CE2 PHE A 61 -4.570 5.066 4.499 1.00 0.00 C ATOM 1020 CZ PHE A 61 -4.556 5.758 5.714 1.00 0.00 C ATOM 0 H PHE A 61 -6.355 1.211 3.683 1.00 0.00 H new ATOM 0 HA PHE A 61 -6.849 1.806 6.406 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -7.854 2.868 3.771 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -8.671 3.339 5.248 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -7.395 4.486 7.085 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -5.611 3.633 3.279 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -5.568 6.085 7.585 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -3.783 5.227 3.777 1.00 0.00 H new ATOM 0 HZ PHE A 61 -3.758 6.452 5.931 1.00 0.00 H new