USER MOD reduce.3.24.130724 H: found=0, std=0, add=367, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 366 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 187 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 188 THR OG1 : rot 180:sc= -0.136 USER MOD Set 2.1: A 159 HIS : no HD1:sc= -0.683 K(o=-0.17,f=-5.3!) USER MOD Set 2.2: A 164 ASN :FLIP amide:sc= 0.509 F(o=-1.4,f=-0.17) USER MOD Set 3.1: A 156 TYR OH : rot 165:sc= 0.342 USER MOD Set 3.2: A 160 LYS NZ :NH3+ -159:sc= 0.372 (180deg=0) USER MOD Single : A 148 THR OG1 : rot -63:sc= 0.949 USER MOD Single : A 157 GLN : amide:sc= 0 K(o=0,f=-1!) USER MOD Single : A 171 LYS NZ :NH3+ 155:sc= 1.21 (180deg=0.888) USER MOD Single : A 177 THR OG1 : rot 180:sc= 0.0338 USER MOD Single : A 179 ASN : amide:sc= 0.785 K(o=0.79,f=0) USER MOD Single : A 182 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.109) USER MOD Single : A 183 ASN : amide:sc= -0.103 X(o=-0.1,f=0) USER MOD Single : A 184 HIS : no HD1:sc= -0.114 X(o=-0.11,f=-0.25) USER MOD Single : A 186 ASN : amide:sc= 1.07 K(o=1.1,f=0) USER MOD Single : A 189 MET CE :methyl -163:sc= -0.137 (180deg=-0.608) USER MOD ----------------------------------------------------------------- ATOM 88 N TRP A 147 13.530 -9.525 -12.066 1.00 0.00 N ATOM 89 CA TRP A 147 14.492 -9.222 -13.129 1.00 0.00 C ATOM 90 C TRP A 147 13.934 -9.609 -14.504 1.00 0.00 C ATOM 91 O TRP A 147 12.852 -10.185 -14.609 1.00 0.00 O ATOM 92 CB TRP A 147 15.825 -9.938 -12.858 1.00 0.00 C ATOM 93 CG TRP A 147 16.568 -9.443 -11.660 1.00 0.00 C ATOM 94 CD1 TRP A 147 16.428 -9.891 -10.400 1.00 0.00 C ATOM 95 CD2 TRP A 147 17.588 -8.408 -11.590 1.00 0.00 C ATOM 96 NE1 TRP A 147 17.278 -9.228 -9.546 1.00 0.00 N ATOM 97 CE2 TRP A 147 18.030 -8.293 -10.235 1.00 0.00 C ATOM 98 CE3 TRP A 147 18.191 -7.552 -12.534 1.00 0.00 C ATOM 99 CZ2 TRP A 147 19.019 -7.386 -9.847 1.00 0.00 C ATOM 100 CZ3 TRP A 147 19.186 -6.632 -12.149 1.00 0.00 C ATOM 101 CH2 TRP A 147 19.602 -6.553 -10.811 1.00 0.00 C ATOM 0 HA TRP A 147 14.670 -8.147 -13.135 1.00 0.00 H new ATOM 0 HB2 TRP A 147 15.631 -11.003 -12.733 1.00 0.00 H new ATOM 0 HB3 TRP A 147 16.464 -9.831 -13.735 1.00 0.00 H new ATOM 0 HD1 TRP A 147 15.740 -10.667 -10.099 1.00 0.00 H new ATOM 0 HE1 TRP A 147 17.345 -9.402 -8.543 1.00 0.00 H new ATOM 0 HE3 TRP A 147 17.885 -7.602 -13.569 1.00 0.00 H new ATOM 0 HZ2 TRP A 147 19.331 -7.327 -8.815 1.00 0.00 H new ATOM 0 HZ3 TRP A 147 19.632 -5.983 -12.888 1.00 0.00 H new ATOM 0 HH2 TRP A 147 20.371 -5.851 -10.525 1.00 0.00 H new ATOM 112 N THR A 148 14.687 -9.277 -15.562 1.00 0.00 N ATOM 113 CA THR A 148 14.298 -9.578 -16.933 1.00 0.00 C ATOM 114 C THR A 148 15.543 -9.916 -17.750 1.00 0.00 C ATOM 115 O THR A 148 16.660 -9.583 -17.350 1.00 0.00 O ATOM 116 CB THR A 148 13.568 -8.372 -17.543 1.00 0.00 C ATOM 117 OG1 THR A 148 14.348 -7.205 -17.371 1.00 0.00 O ATOM 118 CG2 THR A 148 12.207 -8.183 -16.868 1.00 0.00 C ATOM 0 H THR A 148 15.581 -8.793 -15.484 1.00 0.00 H new ATOM 0 HA THR A 148 13.623 -10.434 -16.943 1.00 0.00 H new ATOM 0 HB THR A 148 13.415 -8.553 -18.607 1.00 0.00 H new ATOM 0 HG1 THR A 148 14.447 -7.016 -16.415 1.00 0.00 H new ATOM 0 HG21 THR A 148 11.698 -7.325 -17.308 1.00 0.00 H new ATOM 0 HG22 THR A 148 11.602 -9.078 -17.013 1.00 0.00 H new ATOM 0 HG23 THR A 148 12.351 -8.011 -15.801 1.00 0.00 H new ATOM 126 N GLU A 149 15.348 -10.577 -18.900 1.00 0.00 N ATOM 127 CA GLU A 149 16.451 -10.964 -19.771 1.00 0.00 C ATOM 128 C GLU A 149 17.281 -9.737 -20.170 1.00 0.00 C ATOM 129 O GLU A 149 18.496 -9.841 -20.347 1.00 0.00 O ATOM 130 CB GLU A 149 15.901 -11.687 -21.013 1.00 0.00 C ATOM 131 CG GLU A 149 14.951 -10.777 -21.806 1.00 0.00 C ATOM 132 CD GLU A 149 14.542 -11.438 -23.115 1.00 0.00 C ATOM 133 OE1 GLU A 149 13.657 -12.315 -23.055 1.00 0.00 O ATOM 134 OE2 GLU A 149 15.128 -11.051 -24.153 1.00 0.00 O ATOM 0 H GLU A 149 14.428 -10.853 -19.244 1.00 0.00 H new ATOM 0 HA GLU A 149 17.108 -11.647 -19.232 1.00 0.00 H new ATOM 0 HB2 GLU A 149 16.727 -12.000 -21.651 1.00 0.00 H new ATOM 0 HB3 GLU A 149 15.374 -12.591 -20.708 1.00 0.00 H new ATOM 0 HG2 GLU A 149 14.065 -10.560 -21.210 1.00 0.00 H new ATOM 0 HG3 GLU A 149 15.439 -9.824 -22.011 1.00 0.00 H new ATOM 141 N GLU A 150 16.617 -8.579 -20.312 1.00 0.00 N ATOM 142 CA GLU A 150 17.270 -7.342 -20.719 1.00 0.00 C ATOM 143 C GLU A 150 18.312 -6.920 -19.685 1.00 0.00 C ATOM 144 O GLU A 150 19.304 -6.291 -20.034 1.00 0.00 O ATOM 145 CB GLU A 150 16.208 -6.244 -20.901 1.00 0.00 C ATOM 146 CG GLU A 150 16.213 -5.738 -22.349 1.00 0.00 C ATOM 147 CD GLU A 150 17.540 -5.074 -22.703 1.00 0.00 C ATOM 148 OE1 GLU A 150 17.875 -4.079 -22.027 1.00 0.00 O ATOM 149 OE2 GLU A 150 18.194 -5.578 -23.646 1.00 0.00 O ATOM 0 H GLU A 150 15.615 -8.482 -20.146 1.00 0.00 H new ATOM 0 HA GLU A 150 17.786 -7.501 -21.666 1.00 0.00 H new ATOM 0 HB2 GLU A 150 15.223 -6.635 -20.648 1.00 0.00 H new ATOM 0 HB3 GLU A 150 16.408 -5.418 -20.219 1.00 0.00 H new ATOM 0 HG2 GLU A 150 16.029 -6.571 -23.028 1.00 0.00 H new ATOM 0 HG3 GLU A 150 15.399 -5.026 -22.490 1.00 0.00 H new ATOM 156 N GLU A 151 18.084 -7.268 -18.417 1.00 0.00 N ATOM 157 CA GLU A 151 19.007 -6.933 -17.347 1.00 0.00 C ATOM 158 C GLU A 151 20.033 -8.054 -17.188 1.00 0.00 C ATOM 159 O GLU A 151 21.209 -7.792 -16.942 1.00 0.00 O ATOM 160 CB GLU A 151 18.225 -6.739 -16.049 1.00 0.00 C ATOM 161 CG GLU A 151 17.246 -5.571 -16.190 1.00 0.00 C ATOM 162 CD GLU A 151 16.318 -5.506 -14.987 1.00 0.00 C ATOM 163 OE1 GLU A 151 15.329 -6.272 -14.992 1.00 0.00 O ATOM 164 OE2 GLU A 151 16.611 -4.694 -14.081 1.00 0.00 O ATOM 0 H GLU A 151 17.260 -7.785 -18.111 1.00 0.00 H new ATOM 0 HA GLU A 151 19.532 -6.009 -17.586 1.00 0.00 H new ATOM 0 HB2 GLU A 151 17.681 -7.651 -15.804 1.00 0.00 H new ATOM 0 HB3 GLU A 151 18.914 -6.548 -15.226 1.00 0.00 H new ATOM 0 HG2 GLU A 151 17.798 -4.635 -16.282 1.00 0.00 H new ATOM 0 HG3 GLU A 151 16.661 -5.687 -17.102 1.00 0.00 H new ATOM 171 N ASP A 152 19.577 -9.305 -17.325 1.00 0.00 N ATOM 172 CA ASP A 152 20.437 -10.471 -17.177 1.00 0.00 C ATOM 173 C ASP A 152 21.671 -10.363 -18.072 1.00 0.00 C ATOM 174 O ASP A 152 22.776 -10.652 -17.626 1.00 0.00 O ATOM 175 CB ASP A 152 19.640 -11.741 -17.509 1.00 0.00 C ATOM 176 CG ASP A 152 19.611 -12.700 -16.325 1.00 0.00 C ATOM 177 OD1 ASP A 152 20.697 -12.920 -15.748 1.00 0.00 O ATOM 178 OD2 ASP A 152 18.504 -13.195 -16.023 1.00 0.00 O ATOM 0 H ASP A 152 18.606 -9.530 -17.540 1.00 0.00 H new ATOM 0 HA ASP A 152 20.782 -10.522 -16.144 1.00 0.00 H new ATOM 0 HB2 ASP A 152 18.621 -11.472 -17.787 1.00 0.00 H new ATOM 0 HB3 ASP A 152 20.085 -12.237 -18.371 1.00 0.00 H new ATOM 183 N ARG A 153 21.491 -9.953 -19.336 1.00 0.00 N ATOM 184 CA ARG A 153 22.613 -9.843 -20.266 1.00 0.00 C ATOM 185 C ARG A 153 23.642 -8.821 -19.763 1.00 0.00 C ATOM 186 O ARG A 153 24.835 -8.982 -20.012 1.00 0.00 O ATOM 187 CB ARG A 153 22.108 -9.486 -21.671 1.00 0.00 C ATOM 188 CG ARG A 153 21.370 -8.140 -21.657 1.00 0.00 C ATOM 189 CD ARG A 153 20.428 -8.051 -22.862 1.00 0.00 C ATOM 190 NE ARG A 153 19.406 -9.105 -22.800 1.00 0.00 N ATOM 191 CZ ARG A 153 18.371 -9.197 -23.652 1.00 0.00 C ATOM 192 NH1 ARG A 153 18.028 -8.159 -24.425 1.00 0.00 N ATOM 193 NH2 ARG A 153 17.677 -10.338 -23.718 1.00 0.00 N ATOM 0 H ARG A 153 20.586 -9.695 -19.731 1.00 0.00 H new ATOM 0 HA ARG A 153 23.114 -10.810 -20.323 1.00 0.00 H new ATOM 0 HB2 ARG A 153 22.948 -9.438 -22.364 1.00 0.00 H new ATOM 0 HB3 ARG A 153 21.441 -10.268 -22.033 1.00 0.00 H new ATOM 0 HG2 ARG A 153 20.803 -8.036 -20.732 1.00 0.00 H new ATOM 0 HG3 ARG A 153 22.088 -7.321 -21.684 1.00 0.00 H new ATOM 0 HD2 ARG A 153 19.948 -7.073 -22.883 1.00 0.00 H new ATOM 0 HD3 ARG A 153 21.000 -8.146 -23.785 1.00 0.00 H new ATOM 0 HE ARG A 153 19.487 -9.809 -22.066 1.00 0.00 H new ATOM 0 HH11 ARG A 153 18.554 -7.287 -24.371 1.00 0.00 H new ATOM 0 HH12 ARG A 153 17.240 -8.240 -25.068 1.00 0.00 H new ATOM 0 HH21 ARG A 153 17.935 -11.127 -23.125 1.00 0.00 H new ATOM 0 HH22 ARG A 153 16.889 -10.419 -24.361 1.00 0.00 H new ATOM 207 N ILE A 154 23.190 -7.777 -19.051 1.00 0.00 N ATOM 208 CA ILE A 154 24.094 -6.764 -18.517 1.00 0.00 C ATOM 209 C ILE A 154 24.922 -7.377 -17.390 1.00 0.00 C ATOM 210 O ILE A 154 26.148 -7.239 -17.369 1.00 0.00 O ATOM 211 CB ILE A 154 23.295 -5.551 -18.003 1.00 0.00 C ATOM 212 CG1 ILE A 154 22.342 -5.019 -19.094 1.00 0.00 C ATOM 213 CG2 ILE A 154 24.264 -4.443 -17.570 1.00 0.00 C ATOM 214 CD1 ILE A 154 23.112 -4.617 -20.358 1.00 0.00 C ATOM 0 H ILE A 154 22.206 -7.618 -18.836 1.00 0.00 H new ATOM 0 HA ILE A 154 24.761 -6.419 -19.307 1.00 0.00 H new ATOM 0 HB ILE A 154 22.695 -5.866 -17.149 1.00 0.00 H new ATOM 0 HG12 ILE A 154 21.606 -5.784 -19.342 1.00 0.00 H new ATOM 0 HG13 ILE A 154 21.792 -4.159 -18.712 1.00 0.00 H new ATOM 0 HG21 ILE A 154 23.697 -3.586 -17.207 1.00 0.00 H new ATOM 0 HG22 ILE A 154 24.910 -4.815 -16.774 1.00 0.00 H new ATOM 0 HG23 ILE A 154 24.874 -4.140 -18.421 1.00 0.00 H new ATOM 0 HD11 ILE A 154 22.413 -4.246 -21.108 1.00 0.00 H new ATOM 0 HD12 ILE A 154 23.830 -3.834 -20.113 1.00 0.00 H new ATOM 0 HD13 ILE A 154 23.641 -5.484 -20.753 1.00 0.00 H new ATOM 226 N ILE A 155 24.250 -8.060 -16.452 1.00 0.00 N ATOM 227 CA ILE A 155 24.925 -8.699 -15.333 1.00 0.00 C ATOM 228 C ILE A 155 25.914 -9.728 -15.870 1.00 0.00 C ATOM 229 O ILE A 155 27.042 -9.801 -15.404 1.00 0.00 O ATOM 230 CB ILE A 155 23.895 -9.372 -14.408 1.00 0.00 C ATOM 231 CG1 ILE A 155 22.901 -8.328 -13.875 1.00 0.00 C ATOM 232 CG2 ILE A 155 24.622 -10.033 -13.226 1.00 0.00 C ATOM 233 CD1 ILE A 155 21.723 -9.031 -13.197 1.00 0.00 C ATOM 0 H ILE A 155 23.237 -8.179 -16.454 1.00 0.00 H new ATOM 0 HA ILE A 155 25.465 -7.950 -14.753 1.00 0.00 H new ATOM 0 HB ILE A 155 23.350 -10.127 -14.974 1.00 0.00 H new ATOM 0 HG12 ILE A 155 23.399 -7.667 -13.165 1.00 0.00 H new ATOM 0 HG13 ILE A 155 22.542 -7.704 -14.693 1.00 0.00 H new ATOM 0 HG21 ILE A 155 23.893 -10.510 -12.571 1.00 0.00 H new ATOM 0 HG22 ILE A 155 25.318 -10.783 -13.601 1.00 0.00 H new ATOM 0 HG23 ILE A 155 25.171 -9.275 -12.667 1.00 0.00 H new ATOM 0 HD11 ILE A 155 21.022 -8.286 -12.821 1.00 0.00 H new ATOM 0 HD12 ILE A 155 21.218 -9.673 -13.919 1.00 0.00 H new ATOM 0 HD13 ILE A 155 22.089 -9.636 -12.367 1.00 0.00 H new ATOM 245 N TYR A 156 25.479 -10.521 -16.852 1.00 0.00 N ATOM 246 CA TYR A 156 26.307 -11.553 -17.449 1.00 0.00 C ATOM 247 C TYR A 156 27.561 -10.938 -18.067 1.00 0.00 C ATOM 248 O TYR A 156 28.668 -11.354 -17.749 1.00 0.00 O ATOM 249 CB TYR A 156 25.487 -12.304 -18.503 1.00 0.00 C ATOM 250 CG TYR A 156 26.192 -13.523 -19.060 1.00 0.00 C ATOM 251 CD1 TYR A 156 26.237 -14.710 -18.308 1.00 0.00 C ATOM 252 CD2 TYR A 156 26.798 -13.472 -20.329 1.00 0.00 C ATOM 253 CE1 TYR A 156 26.889 -15.843 -18.820 1.00 0.00 C ATOM 254 CE2 TYR A 156 27.448 -14.608 -20.842 1.00 0.00 C ATOM 255 CZ TYR A 156 27.494 -15.793 -20.087 1.00 0.00 C ATOM 256 OH TYR A 156 28.132 -16.893 -20.583 1.00 0.00 O ATOM 0 H TYR A 156 24.542 -10.460 -17.250 1.00 0.00 H new ATOM 0 HA TYR A 156 26.628 -12.256 -16.681 1.00 0.00 H new ATOM 0 HB2 TYR A 156 24.539 -12.612 -18.063 1.00 0.00 H new ATOM 0 HB3 TYR A 156 25.252 -11.624 -19.322 1.00 0.00 H new ATOM 0 HD1 TYR A 156 25.769 -14.750 -17.335 1.00 0.00 H new ATOM 0 HD2 TYR A 156 26.764 -12.561 -20.908 1.00 0.00 H new ATOM 0 HE1 TYR A 156 26.926 -16.753 -18.240 1.00 0.00 H new ATOM 0 HE2 TYR A 156 27.912 -14.570 -21.816 1.00 0.00 H new ATOM 0 HH TYR A 156 28.287 -16.776 -21.544 1.00 0.00 H new ATOM 266 N GLN A 157 27.383 -9.952 -18.951 1.00 0.00 N ATOM 267 CA GLN A 157 28.499 -9.304 -19.629 1.00 0.00 C ATOM 268 C GLN A 157 29.555 -8.840 -18.619 1.00 0.00 C ATOM 269 O GLN A 157 30.738 -9.145 -18.773 1.00 0.00 O ATOM 270 CB GLN A 157 27.967 -8.118 -20.442 1.00 0.00 C ATOM 271 CG GLN A 157 29.111 -7.469 -21.231 1.00 0.00 C ATOM 272 CD GLN A 157 28.604 -6.311 -22.086 1.00 0.00 C ATOM 273 OE1 GLN A 157 27.427 -5.963 -22.037 1.00 0.00 O ATOM 274 NE2 GLN A 157 29.498 -5.713 -22.873 1.00 0.00 N ATOM 0 H GLN A 157 26.467 -9.586 -19.212 1.00 0.00 H new ATOM 0 HA GLN A 157 28.978 -10.018 -20.300 1.00 0.00 H new ATOM 0 HB2 GLN A 157 27.188 -8.455 -21.126 1.00 0.00 H new ATOM 0 HB3 GLN A 157 27.511 -7.385 -19.776 1.00 0.00 H new ATOM 0 HG2 GLN A 157 29.874 -7.108 -20.541 1.00 0.00 H new ATOM 0 HG3 GLN A 157 29.585 -8.215 -21.869 1.00 0.00 H new ATOM 0 HE21 GLN A 157 30.466 -6.035 -22.882 1.00 0.00 H new ATOM 0 HE22 GLN A 157 29.214 -4.933 -23.466 1.00 0.00 H new ATOM 283 N ALA A 158 29.128 -8.097 -17.595 1.00 0.00 N ATOM 284 CA ALA A 158 30.041 -7.561 -16.596 1.00 0.00 C ATOM 285 C ALA A 158 30.648 -8.683 -15.746 1.00 0.00 C ATOM 286 O ALA A 158 31.865 -8.758 -15.600 1.00 0.00 O ATOM 287 CB ALA A 158 29.285 -6.565 -15.716 1.00 0.00 C ATOM 0 H ALA A 158 28.149 -7.855 -17.440 1.00 0.00 H new ATOM 0 HA ALA A 158 30.863 -7.052 -17.099 1.00 0.00 H new ATOM 0 HB1 ALA A 158 29.961 -6.158 -14.964 1.00 0.00 H new ATOM 0 HB2 ALA A 158 28.898 -5.754 -16.334 1.00 0.00 H new ATOM 0 HB3 ALA A 158 28.456 -7.072 -15.222 1.00 0.00 H new ATOM 293 N HIS A 159 29.795 -9.543 -15.181 1.00 0.00 N ATOM 294 CA HIS A 159 30.229 -10.627 -14.305 1.00 0.00 C ATOM 295 C HIS A 159 31.229 -11.552 -15.006 1.00 0.00 C ATOM 296 O HIS A 159 32.140 -12.071 -14.366 1.00 0.00 O ATOM 297 CB HIS A 159 29.003 -11.420 -13.846 1.00 0.00 C ATOM 298 CG HIS A 159 29.350 -12.497 -12.854 1.00 0.00 C ATOM 299 ND1 HIS A 159 29.784 -13.759 -13.236 1.00 0.00 N ATOM 300 CD2 HIS A 159 29.342 -12.528 -11.485 1.00 0.00 C ATOM 301 CE1 HIS A 159 30.007 -14.453 -12.102 1.00 0.00 C ATOM 302 NE2 HIS A 159 29.755 -13.756 -10.996 1.00 0.00 N ATOM 0 H HIS A 159 28.785 -9.504 -15.320 1.00 0.00 H new ATOM 0 HA HIS A 159 30.736 -10.195 -13.442 1.00 0.00 H new ATOM 0 HB2 HIS A 159 28.280 -10.738 -13.398 1.00 0.00 H new ATOM 0 HB3 HIS A 159 28.521 -11.871 -14.713 1.00 0.00 H new ATOM 0 HD2 HIS A 159 29.049 -11.696 -10.862 1.00 0.00 H new ATOM 0 HE1 HIS A 159 30.356 -15.475 -12.092 1.00 0.00 H new ATOM 0 HE2 HIS A 159 29.844 -14.054 -10.025 1.00 0.00 H new ATOM 310 N LYS A 160 31.060 -11.772 -16.311 1.00 0.00 N ATOM 311 CA LYS A 160 31.944 -12.653 -17.058 1.00 0.00 C ATOM 312 C LYS A 160 33.383 -12.144 -16.990 1.00 0.00 C ATOM 313 O LYS A 160 34.285 -12.889 -16.600 1.00 0.00 O ATOM 314 CB LYS A 160 31.471 -12.744 -18.513 1.00 0.00 C ATOM 315 CG LYS A 160 30.242 -13.656 -18.604 1.00 0.00 C ATOM 316 CD LYS A 160 30.672 -15.121 -18.737 1.00 0.00 C ATOM 317 CE LYS A 160 31.020 -15.440 -20.196 1.00 0.00 C ATOM 318 NZ LYS A 160 31.115 -16.896 -20.406 1.00 0.00 N ATOM 0 H LYS A 160 30.317 -11.350 -16.868 1.00 0.00 H new ATOM 0 HA LYS A 160 31.915 -13.649 -16.615 1.00 0.00 H new ATOM 0 HB2 LYS A 160 31.226 -11.750 -18.888 1.00 0.00 H new ATOM 0 HB3 LYS A 160 32.272 -13.134 -19.142 1.00 0.00 H new ATOM 0 HG2 LYS A 160 29.622 -13.532 -17.716 1.00 0.00 H new ATOM 0 HG3 LYS A 160 29.632 -13.370 -19.461 1.00 0.00 H new ATOM 0 HD2 LYS A 160 31.535 -15.314 -18.099 1.00 0.00 H new ATOM 0 HD3 LYS A 160 29.870 -15.775 -18.395 1.00 0.00 H new ATOM 0 HE2 LYS A 160 30.260 -15.022 -20.856 1.00 0.00 H new ATOM 0 HE3 LYS A 160 31.966 -14.968 -20.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 31.679 -17.088 -21.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 31.572 -17.337 -19.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 30.161 -17.292 -20.526 1.00 0.00 H new ATOM 332 N ARG A 161 33.592 -10.882 -17.378 1.00 0.00 N ATOM 333 CA ARG A 161 34.921 -10.288 -17.420 1.00 0.00 C ATOM 334 C ARG A 161 35.441 -9.984 -16.011 1.00 0.00 C ATOM 335 O ARG A 161 36.606 -10.258 -15.712 1.00 0.00 O ATOM 336 CB ARG A 161 34.858 -9.006 -18.268 1.00 0.00 C ATOM 337 CG ARG A 161 36.196 -8.248 -18.223 1.00 0.00 C ATOM 338 CD ARG A 161 37.313 -9.091 -18.850 1.00 0.00 C ATOM 339 NE ARG A 161 38.598 -8.383 -18.795 1.00 0.00 N ATOM 340 CZ ARG A 161 39.391 -8.373 -17.706 1.00 0.00 C ATOM 341 NH1 ARG A 161 39.009 -8.995 -16.579 1.00 0.00 N ATOM 342 NH2 ARG A 161 40.569 -7.736 -17.748 1.00 0.00 N ATOM 0 H ARG A 161 32.845 -10.251 -17.669 1.00 0.00 H new ATOM 0 HA ARG A 161 35.617 -10.995 -17.870 1.00 0.00 H new ATOM 0 HB2 ARG A 161 34.614 -9.260 -19.300 1.00 0.00 H new ATOM 0 HB3 ARG A 161 34.059 -8.362 -17.901 1.00 0.00 H new ATOM 0 HG2 ARG A 161 36.103 -7.302 -18.757 1.00 0.00 H new ATOM 0 HG3 ARG A 161 36.450 -8.008 -17.191 1.00 0.00 H new ATOM 0 HD2 ARG A 161 37.395 -10.042 -18.324 1.00 0.00 H new ATOM 0 HD3 ARG A 161 37.063 -9.320 -19.886 1.00 0.00 H new ATOM 0 HE ARG A 161 38.906 -7.873 -19.623 1.00 0.00 H new ATOM 0 HH11 ARG A 161 38.112 -9.480 -16.543 1.00 0.00 H new ATOM 0 HH12 ARG A 161 39.615 -8.983 -15.759 1.00 0.00 H new ATOM 0 HH21 ARG A 161 40.862 -7.261 -18.602 1.00 0.00 H new ATOM 0 HH22 ARG A 161 41.173 -7.726 -16.926 1.00 0.00 H new ATOM 356 N LEU A 162 34.595 -9.402 -15.155 1.00 0.00 N ATOM 357 CA LEU A 162 35.001 -9.009 -13.812 1.00 0.00 C ATOM 358 C LEU A 162 34.991 -10.211 -12.867 1.00 0.00 C ATOM 359 O LEU A 162 36.048 -10.639 -12.399 1.00 0.00 O ATOM 360 CB LEU A 162 34.062 -7.907 -13.291 1.00 0.00 C ATOM 361 CG LEU A 162 34.124 -6.666 -14.198 1.00 0.00 C ATOM 362 CD1 LEU A 162 33.079 -5.652 -13.730 1.00 0.00 C ATOM 363 CD2 LEU A 162 35.516 -6.026 -14.128 1.00 0.00 C ATOM 0 H LEU A 162 33.621 -9.194 -15.375 1.00 0.00 H new ATOM 0 HA LEU A 162 36.019 -8.623 -13.852 1.00 0.00 H new ATOM 0 HB2 LEU A 162 33.040 -8.283 -13.250 1.00 0.00 H new ATOM 0 HB3 LEU A 162 34.342 -7.634 -12.274 1.00 0.00 H new ATOM 0 HG LEU A 162 33.923 -6.965 -15.227 1.00 0.00 H new ATOM 0 HD11 LEU A 162 33.117 -4.769 -14.368 1.00 0.00 H new ATOM 0 HD12 LEU A 162 32.087 -6.099 -13.788 1.00 0.00 H new ATOM 0 HD13 LEU A 162 33.288 -5.364 -12.700 1.00 0.00 H new ATOM 0 HD21 LEU A 162 35.546 -5.149 -14.774 1.00 0.00 H new ATOM 0 HD22 LEU A 162 35.728 -5.728 -13.101 1.00 0.00 H new ATOM 0 HD23 LEU A 162 36.265 -6.746 -14.458 1.00 0.00 H new ATOM 375 N GLY A 163 33.798 -10.738 -12.580 1.00 0.00 N ATOM 376 CA GLY A 163 33.625 -11.855 -11.660 1.00 0.00 C ATOM 377 C GLY A 163 32.524 -11.511 -10.667 1.00 0.00 C ATOM 378 O GLY A 163 31.589 -10.792 -11.011 1.00 0.00 O ATOM 0 H GLY A 163 32.925 -10.398 -12.983 1.00 0.00 H new ATOM 0 HA2 GLY A 163 33.367 -12.760 -12.210 1.00 0.00 H new ATOM 0 HA3 GLY A 163 34.558 -12.057 -11.133 1.00 0.00 H new ATOM 382 N ASN A 164 32.635 -12.011 -9.430 1.00 0.00 N ATOM 383 CA ASN A 164 31.641 -11.741 -8.390 1.00 0.00 C ATOM 384 C ASN A 164 31.870 -10.347 -7.793 1.00 0.00 C ATOM 385 O ASN A 164 31.773 -10.168 -6.580 1.00 0.00 O ATOM 386 CB ASN A 164 31.744 -12.811 -7.294 1.00 0.00 C ATOM 387 CG ASN A 164 31.785 -14.216 -7.888 1.00 0.00 C ATOM 388 OD1 ASN A 164 30.633 -14.718 -8.330 1.00 0.00 O flip ATOM 389 ND2 ASN A 164 32.843 -14.836 -7.945 1.00 0.00 N flip ATOM 0 H ASN A 164 33.406 -12.606 -9.127 1.00 0.00 H new ATOM 0 HA ASN A 164 30.643 -11.772 -8.828 1.00 0.00 H new ATOM 0 HB2 ASN A 164 32.641 -12.640 -6.700 1.00 0.00 H new ATOM 0 HB3 ASN A 164 30.893 -12.725 -6.618 1.00 0.00 H new ATOM 0 HD21 ASN A 164 33.702 -14.412 -7.594 1.00 0.00 H new ATOM 0 HD22 ASN A 164 32.863 -15.775 -8.343 1.00 0.00 H new ATOM 396 N ARG A 165 32.176 -9.360 -8.646 1.00 0.00 N ATOM 397 CA ARG A 165 32.444 -8.003 -8.202 1.00 0.00 C ATOM 398 C ARG A 165 31.156 -7.192 -8.242 1.00 0.00 C ATOM 399 O ARG A 165 31.052 -6.223 -8.991 1.00 0.00 O ATOM 400 CB ARG A 165 33.514 -7.372 -9.102 1.00 0.00 C ATOM 401 CG ARG A 165 34.742 -8.285 -9.172 1.00 0.00 C ATOM 402 CD ARG A 165 35.900 -7.542 -9.845 1.00 0.00 C ATOM 403 NE ARG A 165 36.657 -8.443 -10.722 1.00 0.00 N ATOM 404 CZ ARG A 165 37.756 -8.067 -11.395 1.00 0.00 C ATOM 405 NH1 ARG A 165 38.265 -6.839 -11.227 1.00 0.00 N ATOM 406 NH2 ARG A 165 38.341 -8.927 -12.238 1.00 0.00 N ATOM 0 H ARG A 165 32.242 -9.488 -9.656 1.00 0.00 H new ATOM 0 HA ARG A 165 32.815 -8.014 -7.177 1.00 0.00 H new ATOM 0 HB2 ARG A 165 33.112 -7.212 -10.102 1.00 0.00 H new ATOM 0 HB3 ARG A 165 33.799 -6.395 -8.713 1.00 0.00 H new ATOM 0 HG2 ARG A 165 35.032 -8.598 -8.169 1.00 0.00 H new ATOM 0 HG3 ARG A 165 34.503 -9.189 -9.732 1.00 0.00 H new ATOM 0 HD2 ARG A 165 35.513 -6.704 -10.424 1.00 0.00 H new ATOM 0 HD3 ARG A 165 36.562 -7.126 -9.085 1.00 0.00 H new ATOM 0 HE ARG A 165 36.331 -9.404 -10.825 1.00 0.00 H new ATOM 0 HH11 ARG A 165 37.817 -6.185 -10.585 1.00 0.00 H new ATOM 0 HH12 ARG A 165 39.100 -6.558 -11.741 1.00 0.00 H new ATOM 0 HH21 ARG A 165 37.951 -9.861 -12.366 1.00 0.00 H new ATOM 0 HH22 ARG A 165 39.176 -8.648 -12.753 1.00 0.00 H new ATOM 420 N TRP A 166 30.171 -7.586 -7.431 1.00 0.00 N ATOM 421 CA TRP A 166 28.894 -6.887 -7.381 1.00 0.00 C ATOM 422 C TRP A 166 29.114 -5.448 -6.929 1.00 0.00 C ATOM 423 O TRP A 166 28.365 -4.569 -7.308 1.00 0.00 O ATOM 424 CB TRP A 166 27.927 -7.604 -6.441 1.00 0.00 C ATOM 425 CG TRP A 166 28.170 -9.065 -6.289 1.00 0.00 C ATOM 426 CD1 TRP A 166 28.771 -9.625 -5.242 1.00 0.00 C ATOM 427 CD2 TRP A 166 27.848 -10.165 -7.190 1.00 0.00 C ATOM 428 NE1 TRP A 166 28.862 -10.985 -5.390 1.00 0.00 N ATOM 429 CE2 TRP A 166 28.300 -11.382 -6.589 1.00 0.00 C ATOM 430 CE3 TRP A 166 27.223 -10.270 -8.454 1.00 0.00 C ATOM 431 CZ2 TRP A 166 28.140 -12.625 -7.200 1.00 0.00 C ATOM 432 CZ3 TRP A 166 27.057 -11.527 -9.075 1.00 0.00 C ATOM 433 CH2 TRP A 166 27.517 -12.700 -8.449 1.00 0.00 C ATOM 0 H TRP A 166 30.238 -8.386 -6.802 1.00 0.00 H new ATOM 0 HA TRP A 166 28.453 -6.881 -8.378 1.00 0.00 H new ATOM 0 HB2 TRP A 166 27.984 -7.136 -5.458 1.00 0.00 H new ATOM 0 HB3 TRP A 166 26.911 -7.455 -6.806 1.00 0.00 H new ATOM 0 HD1 TRP A 166 29.139 -9.079 -4.386 1.00 0.00 H new ATOM 0 HE1 TRP A 166 29.286 -11.616 -4.710 1.00 0.00 H new ATOM 0 HE3 TRP A 166 26.869 -9.379 -8.950 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 28.494 -13.521 -6.713 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 26.573 -11.589 -10.038 1.00 0.00 H new ATOM 0 HH2 TRP A 166 27.389 -13.657 -8.933 1.00 0.00 H new ATOM 444 N ALA A 167 30.155 -5.207 -6.123 1.00 0.00 N ATOM 445 CA ALA A 167 30.473 -3.863 -5.664 1.00 0.00 C ATOM 446 C ALA A 167 30.750 -2.944 -6.862 1.00 0.00 C ATOM 447 O ALA A 167 30.690 -1.723 -6.727 1.00 0.00 O ATOM 448 CB ALA A 167 31.686 -3.921 -4.735 1.00 0.00 C ATOM 0 H ALA A 167 30.787 -5.930 -5.779 1.00 0.00 H new ATOM 0 HA ALA A 167 29.624 -3.455 -5.115 1.00 0.00 H new ATOM 0 HB1 ALA A 167 31.928 -2.916 -4.389 1.00 0.00 H new ATOM 0 HB2 ALA A 167 31.458 -4.555 -3.878 1.00 0.00 H new ATOM 0 HB3 ALA A 167 32.538 -4.333 -5.275 1.00 0.00 H new ATOM 454 N GLU A 168 31.047 -3.541 -8.031 1.00 0.00 N ATOM 455 CA GLU A 168 31.300 -2.798 -9.257 1.00 0.00 C ATOM 456 C GLU A 168 30.065 -2.888 -10.163 1.00 0.00 C ATOM 457 O GLU A 168 29.540 -1.869 -10.595 1.00 0.00 O ATOM 458 CB GLU A 168 32.543 -3.383 -9.947 1.00 0.00 C ATOM 459 CG GLU A 168 33.173 -2.344 -10.885 1.00 0.00 C ATOM 460 CD GLU A 168 32.257 -2.020 -12.061 1.00 0.00 C ATOM 461 OE1 GLU A 168 31.771 -2.988 -12.686 1.00 0.00 O ATOM 462 OE2 GLU A 168 32.062 -0.812 -12.312 1.00 0.00 O ATOM 0 H GLU A 168 31.116 -4.553 -8.141 1.00 0.00 H new ATOM 0 HA GLU A 168 31.488 -1.747 -9.039 1.00 0.00 H new ATOM 0 HB2 GLU A 168 33.271 -3.694 -9.197 1.00 0.00 H new ATOM 0 HB3 GLU A 168 32.268 -4.273 -10.512 1.00 0.00 H new ATOM 0 HG2 GLU A 168 33.387 -1.432 -10.328 1.00 0.00 H new ATOM 0 HG3 GLU A 168 34.126 -2.720 -11.258 1.00 0.00 H new ATOM 469 N ILE A 169 29.603 -4.118 -10.442 1.00 0.00 N ATOM 470 CA ILE A 169 28.437 -4.343 -11.300 1.00 0.00 C ATOM 471 C ILE A 169 27.246 -3.518 -10.794 1.00 0.00 C ATOM 472 O ILE A 169 26.518 -2.916 -11.583 1.00 0.00 O ATOM 473 CB ILE A 169 28.078 -5.843 -11.306 1.00 0.00 C ATOM 474 CG1 ILE A 169 29.281 -6.689 -11.767 1.00 0.00 C ATOM 475 CG2 ILE A 169 26.897 -6.086 -12.254 1.00 0.00 C ATOM 476 CD1 ILE A 169 29.103 -8.139 -11.304 1.00 0.00 C ATOM 0 H ILE A 169 30.025 -4.974 -10.081 1.00 0.00 H new ATOM 0 HA ILE A 169 28.674 -4.029 -12.316 1.00 0.00 H new ATOM 0 HB ILE A 169 27.808 -6.137 -10.292 1.00 0.00 H new ATOM 0 HG12 ILE A 169 29.368 -6.652 -12.853 1.00 0.00 H new ATOM 0 HG13 ILE A 169 30.204 -6.278 -11.359 1.00 0.00 H new ATOM 0 HG21 ILE A 169 26.645 -7.146 -12.257 1.00 0.00 H new ATOM 0 HG22 ILE A 169 26.036 -5.509 -11.917 1.00 0.00 H new ATOM 0 HG23 ILE A 169 27.170 -5.775 -13.262 1.00 0.00 H new ATOM 0 HD11 ILE A 169 29.956 -8.733 -11.632 1.00 0.00 H new ATOM 0 HD12 ILE A 169 29.038 -8.168 -10.216 1.00 0.00 H new ATOM 0 HD13 ILE A 169 28.189 -8.548 -11.734 1.00 0.00 H new ATOM 488 N ALA A 170 27.057 -3.503 -9.471 1.00 0.00 N ATOM 489 CA ALA A 170 25.960 -2.786 -8.837 1.00 0.00 C ATOM 490 C ALA A 170 26.050 -1.282 -9.119 1.00 0.00 C ATOM 491 O ALA A 170 25.036 -0.595 -9.091 1.00 0.00 O ATOM 492 CB ALA A 170 25.987 -3.063 -7.328 1.00 0.00 C ATOM 0 H ALA A 170 27.665 -3.991 -8.813 1.00 0.00 H new ATOM 0 HA ALA A 170 25.015 -3.137 -9.251 1.00 0.00 H new ATOM 0 HB1 ALA A 170 25.168 -2.529 -6.845 1.00 0.00 H new ATOM 0 HB2 ALA A 170 25.876 -4.133 -7.152 1.00 0.00 H new ATOM 0 HB3 ALA A 170 26.936 -2.724 -6.913 1.00 0.00 H new ATOM 498 N LYS A 171 27.260 -0.773 -9.393 1.00 0.00 N ATOM 499 CA LYS A 171 27.451 0.644 -9.689 1.00 0.00 C ATOM 500 C LYS A 171 27.001 0.933 -11.121 1.00 0.00 C ATOM 501 O LYS A 171 26.458 2.002 -11.394 1.00 0.00 O ATOM 502 CB LYS A 171 28.927 1.032 -9.507 1.00 0.00 C ATOM 503 CG LYS A 171 29.417 0.658 -8.101 1.00 0.00 C ATOM 504 CD LYS A 171 28.986 1.728 -7.091 1.00 0.00 C ATOM 505 CE LYS A 171 29.211 1.216 -5.663 1.00 0.00 C ATOM 506 NZ LYS A 171 30.598 0.754 -5.470 1.00 0.00 N ATOM 0 H LYS A 171 28.117 -1.326 -9.414 1.00 0.00 H new ATOM 0 HA LYS A 171 26.851 1.237 -8.999 1.00 0.00 H new ATOM 0 HB2 LYS A 171 29.536 0.526 -10.256 1.00 0.00 H new ATOM 0 HB3 LYS A 171 29.049 2.103 -9.667 1.00 0.00 H new ATOM 0 HG2 LYS A 171 29.011 -0.311 -7.812 1.00 0.00 H new ATOM 0 HG3 LYS A 171 30.503 0.562 -8.099 1.00 0.00 H new ATOM 0 HD2 LYS A 171 29.555 2.644 -7.253 1.00 0.00 H new ATOM 0 HD3 LYS A 171 27.935 1.976 -7.237 1.00 0.00 H new ATOM 0 HE2 LYS A 171 28.988 2.010 -4.951 1.00 0.00 H new ATOM 0 HE3 LYS A 171 28.521 0.398 -5.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 171 30.848 0.817 -4.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 171 30.682 -0.233 -5.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 171 31.243 1.352 -6.025 1.00 0.00 H new ATOM 520 N LEU A 172 27.227 -0.023 -12.036 1.00 0.00 N ATOM 521 CA LEU A 172 26.832 0.135 -13.430 1.00 0.00 C ATOM 522 C LEU A 172 25.312 0.248 -13.517 1.00 0.00 C ATOM 523 O LEU A 172 24.791 1.082 -14.256 1.00 0.00 O ATOM 524 CB LEU A 172 27.330 -1.057 -14.262 1.00 0.00 C ATOM 525 CG LEU A 172 28.857 -1.211 -14.145 1.00 0.00 C ATOM 526 CD1 LEU A 172 29.309 -2.392 -15.009 1.00 0.00 C ATOM 527 CD2 LEU A 172 29.559 0.064 -14.625 1.00 0.00 C ATOM 0 H LEU A 172 27.682 -0.912 -11.827 1.00 0.00 H new ATOM 0 HA LEU A 172 27.281 1.043 -13.831 1.00 0.00 H new ATOM 0 HB2 LEU A 172 26.842 -1.971 -13.923 1.00 0.00 H new ATOM 0 HB3 LEU A 172 27.054 -0.916 -15.307 1.00 0.00 H new ATOM 0 HG LEU A 172 29.118 -1.387 -13.102 1.00 0.00 H new ATOM 0 HD11 LEU A 172 30.390 -2.507 -14.931 1.00 0.00 H new ATOM 0 HD12 LEU A 172 28.821 -3.303 -14.663 1.00 0.00 H new ATOM 0 HD13 LEU A 172 29.038 -2.207 -16.048 1.00 0.00 H new ATOM 0 HD21 LEU A 172 30.638 -0.060 -14.536 1.00 0.00 H new ATOM 0 HD22 LEU A 172 29.300 0.252 -15.667 1.00 0.00 H new ATOM 0 HD23 LEU A 172 29.239 0.908 -14.014 1.00 0.00 H new ATOM 539 N LEU A 173 24.601 -0.593 -12.755 1.00 0.00 N ATOM 540 CA LEU A 173 23.147 -0.570 -12.733 1.00 0.00 C ATOM 541 C LEU A 173 22.684 0.579 -11.826 1.00 0.00 C ATOM 542 O LEU A 173 23.365 0.901 -10.857 1.00 0.00 O ATOM 543 CB LEU A 173 22.628 -1.918 -12.220 1.00 0.00 C ATOM 544 CG LEU A 173 22.924 -3.028 -13.243 1.00 0.00 C ATOM 545 CD1 LEU A 173 22.884 -4.388 -12.544 1.00 0.00 C ATOM 546 CD2 LEU A 173 21.875 -3.003 -14.361 1.00 0.00 C ATOM 0 H LEU A 173 25.018 -1.297 -12.146 1.00 0.00 H new ATOM 0 HA LEU A 173 22.751 -0.408 -13.736 1.00 0.00 H new ATOM 0 HB2 LEU A 173 23.099 -2.158 -11.267 1.00 0.00 H new ATOM 0 HB3 LEU A 173 21.555 -1.857 -12.039 1.00 0.00 H new ATOM 0 HG LEU A 173 23.912 -2.863 -13.673 1.00 0.00 H new ATOM 0 HD11 LEU A 173 23.094 -5.175 -13.268 1.00 0.00 H new ATOM 0 HD12 LEU A 173 23.634 -4.413 -11.753 1.00 0.00 H new ATOM 0 HD13 LEU A 173 21.896 -4.546 -12.112 1.00 0.00 H new ATOM 0 HD21 LEU A 173 22.092 -3.792 -15.081 1.00 0.00 H new ATOM 0 HD22 LEU A 173 20.885 -3.163 -13.934 1.00 0.00 H new ATOM 0 HD23 LEU A 173 21.902 -2.036 -14.863 1.00 0.00 H new ATOM 558 N PRO A 174 21.531 1.213 -12.137 1.00 0.00 N ATOM 559 CA PRO A 174 21.029 2.337 -11.369 1.00 0.00 C ATOM 560 C PRO A 174 20.525 1.886 -9.986 1.00 0.00 C ATOM 561 O PRO A 174 21.303 1.819 -9.038 1.00 0.00 O ATOM 562 CB PRO A 174 19.913 2.943 -12.234 1.00 0.00 C ATOM 563 CG PRO A 174 19.532 1.863 -13.252 1.00 0.00 C ATOM 564 CD PRO A 174 20.691 0.862 -13.267 1.00 0.00 C ATOM 0 HA PRO A 174 21.804 3.074 -11.157 1.00 0.00 H new ATOM 0 HB2 PRO A 174 19.055 3.223 -11.623 1.00 0.00 H new ATOM 0 HB3 PRO A 174 20.256 3.848 -12.736 1.00 0.00 H new ATOM 0 HG2 PRO A 174 18.599 1.374 -12.970 1.00 0.00 H new ATOM 0 HG3 PRO A 174 19.379 2.296 -14.240 1.00 0.00 H new ATOM 0 HD2 PRO A 174 20.325 -0.161 -13.179 1.00 0.00 H new ATOM 0 HD3 PRO A 174 21.248 0.923 -14.202 1.00 0.00 H new ATOM 572 N GLY A 175 19.221 1.588 -9.867 1.00 0.00 N ATOM 573 CA GLY A 175 18.626 1.200 -8.596 1.00 0.00 C ATOM 574 C GLY A 175 18.679 -0.311 -8.409 1.00 0.00 C ATOM 575 O GLY A 175 17.634 -0.963 -8.346 1.00 0.00 O ATOM 0 H GLY A 175 18.563 1.611 -10.646 1.00 0.00 H new ATOM 0 HA2 GLY A 175 19.154 1.690 -7.778 1.00 0.00 H new ATOM 0 HA3 GLY A 175 17.591 1.539 -8.556 1.00 0.00 H new ATOM 579 N ARG A 176 19.896 -0.862 -8.316 1.00 0.00 N ATOM 580 CA ARG A 176 20.103 -2.291 -8.105 1.00 0.00 C ATOM 581 C ARG A 176 21.224 -2.476 -7.085 1.00 0.00 C ATOM 582 O ARG A 176 22.380 -2.182 -7.377 1.00 0.00 O ATOM 583 CB ARG A 176 20.475 -2.969 -9.429 1.00 0.00 C ATOM 584 CG ARG A 176 19.285 -2.975 -10.402 1.00 0.00 C ATOM 585 CD ARG A 176 18.148 -3.845 -9.848 1.00 0.00 C ATOM 586 NE ARG A 176 17.305 -4.363 -10.937 1.00 0.00 N ATOM 587 CZ ARG A 176 16.198 -5.094 -10.725 1.00 0.00 C ATOM 588 NH1 ARG A 176 15.825 -5.410 -9.477 1.00 0.00 N ATOM 589 NH2 ARG A 176 15.464 -5.503 -11.760 1.00 0.00 N ATOM 0 H ARG A 176 20.761 -0.326 -8.386 1.00 0.00 H new ATOM 0 HA ARG A 176 19.186 -2.748 -7.732 1.00 0.00 H new ATOM 0 HB2 ARG A 176 21.318 -2.448 -9.884 1.00 0.00 H new ATOM 0 HB3 ARG A 176 20.798 -3.992 -9.239 1.00 0.00 H new ATOM 0 HG2 ARG A 176 18.929 -1.957 -10.559 1.00 0.00 H new ATOM 0 HG3 ARG A 176 19.602 -3.355 -11.373 1.00 0.00 H new ATOM 0 HD2 ARG A 176 18.565 -4.676 -9.279 1.00 0.00 H new ATOM 0 HD3 ARG A 176 17.540 -3.260 -9.159 1.00 0.00 H new ATOM 0 HE ARG A 176 17.574 -4.157 -11.899 1.00 0.00 H new ATOM 0 HH11 ARG A 176 16.382 -5.095 -8.683 1.00 0.00 H new ATOM 0 HH12 ARG A 176 14.984 -5.965 -9.321 1.00 0.00 H new ATOM 0 HH21 ARG A 176 15.743 -5.261 -12.711 1.00 0.00 H new ATOM 0 HH22 ARG A 176 14.623 -6.058 -11.601 1.00 0.00 H new ATOM 603 N THR A 177 20.879 -2.958 -5.888 1.00 0.00 N ATOM 604 CA THR A 177 21.854 -3.148 -4.825 1.00 0.00 C ATOM 605 C THR A 177 22.730 -4.367 -5.113 1.00 0.00 C ATOM 606 O THR A 177 22.321 -5.286 -5.828 1.00 0.00 O ATOM 607 CB THR A 177 21.122 -3.320 -3.489 1.00 0.00 C ATOM 608 OG1 THR A 177 20.221 -4.404 -3.579 1.00 0.00 O ATOM 609 CG2 THR A 177 20.351 -2.042 -3.149 1.00 0.00 C ATOM 0 H THR A 177 19.927 -3.223 -5.636 1.00 0.00 H new ATOM 0 HA THR A 177 22.500 -2.272 -4.771 1.00 0.00 H new ATOM 0 HB THR A 177 21.853 -3.518 -2.705 1.00 0.00 H new ATOM 0 HG1 THR A 177 19.755 -4.514 -2.724 1.00 0.00 H new ATOM 0 HG21 THR A 177 19.833 -2.171 -2.199 1.00 0.00 H new ATOM 0 HG22 THR A 177 21.047 -1.207 -3.072 1.00 0.00 H new ATOM 0 HG23 THR A 177 19.623 -1.837 -3.934 1.00 0.00 H new ATOM 617 N ASP A 178 23.937 -4.370 -4.536 1.00 0.00 N ATOM 618 CA ASP A 178 24.871 -5.472 -4.679 1.00 0.00 C ATOM 619 C ASP A 178 24.235 -6.761 -4.159 1.00 0.00 C ATOM 620 O ASP A 178 24.401 -7.821 -4.755 1.00 0.00 O ATOM 621 CB ASP A 178 26.158 -5.141 -3.906 1.00 0.00 C ATOM 622 CG ASP A 178 25.923 -5.105 -2.394 1.00 0.00 C ATOM 623 OD1 ASP A 178 24.891 -4.521 -1.984 1.00 0.00 O ATOM 624 OD2 ASP A 178 26.778 -5.664 -1.677 1.00 0.00 O ATOM 0 H ASP A 178 24.286 -3.605 -3.959 1.00 0.00 H new ATOM 0 HA ASP A 178 25.119 -5.618 -5.730 1.00 0.00 H new ATOM 0 HB2 ASP A 178 26.921 -5.884 -4.137 1.00 0.00 H new ATOM 0 HB3 ASP A 178 26.542 -4.176 -4.237 1.00 0.00 H new ATOM 629 N ASN A 179 23.504 -6.656 -3.046 1.00 0.00 N ATOM 630 CA ASN A 179 22.837 -7.794 -2.435 1.00 0.00 C ATOM 631 C ASN A 179 21.808 -8.385 -3.398 1.00 0.00 C ATOM 632 O ASN A 179 21.733 -9.602 -3.548 1.00 0.00 O ATOM 633 CB ASN A 179 22.162 -7.346 -1.134 1.00 0.00 C ATOM 634 CG ASN A 179 23.157 -7.320 0.024 1.00 0.00 C ATOM 635 OD1 ASN A 179 23.076 -8.147 0.928 1.00 0.00 O ATOM 636 ND2 ASN A 179 24.096 -6.373 0.000 1.00 0.00 N ATOM 0 H ASN A 179 23.362 -5.777 -2.548 1.00 0.00 H new ATOM 0 HA ASN A 179 23.572 -8.567 -2.209 1.00 0.00 H new ATOM 0 HB2 ASN A 179 21.730 -6.354 -1.268 1.00 0.00 H new ATOM 0 HB3 ASN A 179 21.341 -8.022 -0.896 1.00 0.00 H new ATOM 0 HD21 ASN A 179 24.783 -6.317 0.752 1.00 0.00 H new ATOM 0 HD22 ASN A 179 24.127 -5.705 -0.770 1.00 0.00 H new ATOM 643 N ALA A 180 21.010 -7.525 -4.047 1.00 0.00 N ATOM 644 CA ALA A 180 19.979 -7.977 -4.973 1.00 0.00 C ATOM 645 C ALA A 180 20.608 -8.741 -6.139 1.00 0.00 C ATOM 646 O ALA A 180 20.159 -9.837 -6.474 1.00 0.00 O ATOM 647 CB ALA A 180 19.187 -6.772 -5.483 1.00 0.00 C ATOM 0 H ALA A 180 21.064 -6.512 -3.943 1.00 0.00 H new ATOM 0 HA ALA A 180 19.300 -8.653 -4.453 1.00 0.00 H new ATOM 0 HB1 ALA A 180 18.416 -7.110 -6.175 1.00 0.00 H new ATOM 0 HB2 ALA A 180 18.720 -6.261 -4.641 1.00 0.00 H new ATOM 0 HB3 ALA A 180 19.860 -6.085 -5.996 1.00 0.00 H new ATOM 653 N ILE A 181 21.643 -8.161 -6.758 1.00 0.00 N ATOM 654 CA ILE A 181 22.315 -8.784 -7.893 1.00 0.00 C ATOM 655 C ILE A 181 22.961 -10.100 -7.457 1.00 0.00 C ATOM 656 O ILE A 181 22.775 -11.128 -8.106 1.00 0.00 O ATOM 657 CB ILE A 181 23.370 -7.818 -8.456 1.00 0.00 C ATOM 658 CG1 ILE A 181 22.682 -6.560 -9.004 1.00 0.00 C ATOM 659 CG2 ILE A 181 24.144 -8.502 -9.591 1.00 0.00 C ATOM 660 CD1 ILE A 181 23.662 -5.389 -9.003 1.00 0.00 C ATOM 0 H ILE A 181 22.031 -7.257 -6.487 1.00 0.00 H new ATOM 0 HA ILE A 181 21.588 -9.003 -8.675 1.00 0.00 H new ATOM 0 HB ILE A 181 24.058 -7.540 -7.658 1.00 0.00 H new ATOM 0 HG12 ILE A 181 22.322 -6.744 -10.016 1.00 0.00 H new ATOM 0 HG13 ILE A 181 21.811 -6.317 -8.395 1.00 0.00 H new ATOM 0 HG21 ILE A 181 24.891 -7.815 -9.988 1.00 0.00 H new ATOM 0 HG22 ILE A 181 24.639 -9.394 -9.208 1.00 0.00 H new ATOM 0 HG23 ILE A 181 23.452 -8.784 -10.385 1.00 0.00 H new ATOM 0 HD11 ILE A 181 23.167 -4.500 -9.393 1.00 0.00 H new ATOM 0 HD12 ILE A 181 24.000 -5.199 -7.984 1.00 0.00 H new ATOM 0 HD13 ILE A 181 24.519 -5.632 -9.631 1.00 0.00 H new ATOM 672 N LYS A 182 23.722 -10.060 -6.358 1.00 0.00 N ATOM 673 CA LYS A 182 24.405 -11.234 -5.836 1.00 0.00 C ATOM 674 C LYS A 182 23.403 -12.363 -5.595 1.00 0.00 C ATOM 675 O LYS A 182 23.633 -13.494 -6.017 1.00 0.00 O ATOM 676 CB LYS A 182 25.125 -10.853 -4.536 1.00 0.00 C ATOM 677 CG LYS A 182 25.877 -12.063 -3.973 1.00 0.00 C ATOM 678 CD LYS A 182 26.670 -11.639 -2.732 1.00 0.00 C ATOM 679 CE LYS A 182 27.503 -12.816 -2.214 1.00 0.00 C ATOM 680 NZ LYS A 182 26.642 -13.897 -1.698 1.00 0.00 N ATOM 0 H LYS A 182 23.877 -9.213 -5.812 1.00 0.00 H new ATOM 0 HA LYS A 182 25.139 -11.589 -6.560 1.00 0.00 H new ATOM 0 HB2 LYS A 182 25.823 -10.037 -4.724 1.00 0.00 H new ATOM 0 HB3 LYS A 182 24.403 -10.492 -3.804 1.00 0.00 H new ATOM 0 HG2 LYS A 182 25.173 -12.854 -3.715 1.00 0.00 H new ATOM 0 HG3 LYS A 182 26.551 -12.469 -4.727 1.00 0.00 H new ATOM 0 HD2 LYS A 182 27.323 -10.801 -2.976 1.00 0.00 H new ATOM 0 HD3 LYS A 182 25.988 -11.296 -1.954 1.00 0.00 H new ATOM 0 HE2 LYS A 182 28.131 -13.201 -3.017 1.00 0.00 H new ATOM 0 HE3 LYS A 182 28.171 -12.472 -1.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 182 27.229 -14.609 -1.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 182 25.956 -13.502 -1.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 182 26.134 -14.343 -2.488 1.00 0.00 H new ATOM 694 N ASN A 183 22.296 -12.053 -4.913 1.00 0.00 N ATOM 695 CA ASN A 183 21.270 -13.039 -4.609 1.00 0.00 C ATOM 696 C ASN A 183 20.680 -13.604 -5.899 1.00 0.00 C ATOM 697 O ASN A 183 20.633 -14.817 -6.076 1.00 0.00 O ATOM 698 CB ASN A 183 20.180 -12.384 -3.757 1.00 0.00 C ATOM 699 CG ASN A 183 19.026 -13.352 -3.513 1.00 0.00 C ATOM 700 OD1 ASN A 183 19.073 -14.154 -2.587 1.00 0.00 O ATOM 701 ND2 ASN A 183 17.989 -13.274 -4.349 1.00 0.00 N ATOM 0 H ASN A 183 22.092 -11.117 -4.561 1.00 0.00 H new ATOM 0 HA ASN A 183 21.712 -13.865 -4.051 1.00 0.00 H new ATOM 0 HB2 ASN A 183 20.601 -12.065 -2.803 1.00 0.00 H new ATOM 0 HB3 ASN A 183 19.810 -11.489 -4.257 1.00 0.00 H new ATOM 0 HD21 ASN A 183 17.191 -13.898 -4.231 1.00 0.00 H new ATOM 0 HD22 ASN A 183 17.994 -12.590 -5.106 1.00 0.00 H new ATOM 708 N HIS A 184 20.226 -12.718 -6.794 1.00 0.00 N ATOM 709 CA HIS A 184 19.620 -13.123 -8.056 1.00 0.00 C ATOM 710 C HIS A 184 20.539 -14.088 -8.805 1.00 0.00 C ATOM 711 O HIS A 184 20.094 -15.147 -9.253 1.00 0.00 O ATOM 712 CB HIS A 184 19.340 -11.875 -8.898 1.00 0.00 C ATOM 713 CG HIS A 184 18.875 -12.200 -10.294 1.00 0.00 C ATOM 714 ND1 HIS A 184 17.987 -13.234 -10.572 1.00 0.00 N ATOM 715 CD2 HIS A 184 19.161 -11.644 -11.514 1.00 0.00 C ATOM 716 CE1 HIS A 184 17.800 -13.236 -11.908 1.00 0.00 C ATOM 717 NE2 HIS A 184 18.489 -12.287 -12.542 1.00 0.00 N ATOM 0 H HIS A 184 20.271 -11.708 -6.660 1.00 0.00 H new ATOM 0 HA HIS A 184 18.682 -13.642 -7.860 1.00 0.00 H new ATOM 0 HB2 HIS A 184 18.582 -11.270 -8.400 1.00 0.00 H new ATOM 0 HB3 HIS A 184 20.245 -11.270 -8.954 1.00 0.00 H new ATOM 0 HD2 HIS A 184 19.828 -10.807 -11.657 1.00 0.00 H new ATOM 0 HE1 HIS A 184 17.155 -13.938 -12.415 1.00 0.00 H new ATOM 0 HE2 HIS A 184 18.515 -12.083 -13.541 1.00 0.00 H new ATOM 725 N TRP A 185 21.817 -13.724 -8.942 1.00 0.00 N ATOM 726 CA TRP A 185 22.779 -14.555 -9.640 1.00 0.00 C ATOM 727 C TRP A 185 22.921 -15.897 -8.923 1.00 0.00 C ATOM 728 O TRP A 185 22.729 -16.949 -9.532 1.00 0.00 O ATOM 729 CB TRP A 185 24.122 -13.831 -9.723 1.00 0.00 C ATOM 730 CG TRP A 185 25.158 -14.552 -10.528 1.00 0.00 C ATOM 731 CD1 TRP A 185 25.953 -15.531 -10.074 1.00 0.00 C ATOM 732 CD2 TRP A 185 25.525 -14.378 -11.930 1.00 0.00 C ATOM 733 NE1 TRP A 185 26.796 -15.982 -11.059 1.00 0.00 N ATOM 734 CE2 TRP A 185 26.575 -15.300 -12.240 1.00 0.00 C ATOM 735 CE3 TRP A 185 25.081 -13.541 -12.977 1.00 0.00 C ATOM 736 CZ2 TRP A 185 27.149 -15.383 -13.510 1.00 0.00 C ATOM 737 CZ3 TRP A 185 25.660 -13.619 -14.261 1.00 0.00 C ATOM 738 CH2 TRP A 185 26.694 -14.537 -14.525 1.00 0.00 C ATOM 0 H TRP A 185 22.202 -12.854 -8.574 1.00 0.00 H new ATOM 0 HA TRP A 185 22.430 -14.746 -10.655 1.00 0.00 H new ATOM 0 HB2 TRP A 185 23.964 -12.843 -10.156 1.00 0.00 H new ATOM 0 HB3 TRP A 185 24.503 -13.679 -8.713 1.00 0.00 H new ATOM 0 HD1 TRP A 185 25.933 -15.915 -9.065 1.00 0.00 H new ATOM 0 HE1 TRP A 185 27.490 -16.719 -10.936 1.00 0.00 H new ATOM 0 HE3 TRP A 185 24.288 -12.832 -12.792 1.00 0.00 H new ATOM 0 HZ2 TRP A 185 27.937 -16.095 -13.706 1.00 0.00 H new ATOM 0 HZ3 TRP A 185 25.307 -12.969 -15.048 1.00 0.00 H new ATOM 0 HH2 TRP A 185 27.135 -14.587 -15.510 1.00 0.00 H new ATOM 749 N ASN A 186 23.257 -15.860 -7.627 1.00 0.00 N ATOM 750 CA ASN A 186 23.434 -17.071 -6.836 1.00 0.00 C ATOM 751 C ASN A 186 22.071 -17.615 -6.406 1.00 0.00 C ATOM 752 O ASN A 186 21.794 -17.742 -5.215 1.00 0.00 O ATOM 753 CB ASN A 186 24.312 -16.764 -5.618 1.00 0.00 C ATOM 754 CG ASN A 186 25.731 -16.403 -6.045 1.00 0.00 C ATOM 755 OD1 ASN A 186 26.595 -17.270 -6.128 1.00 0.00 O ATOM 756 ND2 ASN A 186 25.969 -15.121 -6.318 1.00 0.00 N ATOM 0 H ASN A 186 23.411 -14.996 -7.107 1.00 0.00 H new ATOM 0 HA ASN A 186 23.930 -17.833 -7.437 1.00 0.00 H new ATOM 0 HB2 ASN A 186 23.878 -15.940 -5.051 1.00 0.00 H new ATOM 0 HB3 ASN A 186 24.337 -17.629 -4.955 1.00 0.00 H new ATOM 0 HD21 ASN A 186 26.901 -14.826 -6.610 1.00 0.00 H new ATOM 0 HD22 ASN A 186 25.219 -14.434 -6.235 1.00 0.00 H new ATOM 763 N SER A 187 21.225 -17.941 -7.389 1.00 0.00 N ATOM 764 CA SER A 187 19.903 -18.485 -7.132 1.00 0.00 C ATOM 765 C SER A 187 19.391 -19.194 -8.384 1.00 0.00 C ATOM 766 O SER A 187 18.906 -20.321 -8.300 1.00 0.00 O ATOM 767 CB SER A 187 18.951 -17.360 -6.712 1.00 0.00 C ATOM 768 OG SER A 187 17.660 -17.887 -6.493 1.00 0.00 O ATOM 0 H SER A 187 21.444 -17.833 -8.379 1.00 0.00 H new ATOM 0 HA SER A 187 19.955 -19.210 -6.319 1.00 0.00 H new ATOM 0 HB2 SER A 187 19.317 -16.880 -5.804 1.00 0.00 H new ATOM 0 HB3 SER A 187 18.915 -16.593 -7.486 1.00 0.00 H new ATOM 0 HG SER A 187 17.054 -17.166 -6.223 1.00 0.00 H new ATOM 774 N THR A 188 19.497 -18.533 -9.549 1.00 0.00 N ATOM 775 CA THR A 188 19.033 -19.113 -10.807 1.00 0.00 C ATOM 776 C THR A 188 19.933 -18.673 -11.973 1.00 0.00 C ATOM 777 O THR A 188 19.545 -18.809 -13.130 1.00 0.00 O ATOM 778 CB THR A 188 17.573 -18.685 -11.054 1.00 0.00 C ATOM 779 OG1 THR A 188 16.893 -18.566 -9.821 1.00 0.00 O ATOM 780 CG2 THR A 188 16.857 -19.729 -11.916 1.00 0.00 C ATOM 0 H THR A 188 19.899 -17.600 -9.639 1.00 0.00 H new ATOM 0 HA THR A 188 19.083 -20.200 -10.742 1.00 0.00 H new ATOM 0 HB THR A 188 17.575 -17.725 -11.570 1.00 0.00 H new ATOM 0 HG1 THR A 188 15.966 -18.292 -9.984 1.00 0.00 H new ATOM 0 HG21 THR A 188 15.826 -19.417 -12.084 1.00 0.00 H new ATOM 0 HG22 THR A 188 17.369 -19.823 -12.874 1.00 0.00 H new ATOM 0 HG23 THR A 188 16.866 -20.691 -11.404 1.00 0.00 H new ATOM 788 N MET A 189 21.131 -18.148 -11.671 1.00 0.00 N ATOM 789 CA MET A 189 22.057 -17.687 -12.702 1.00 0.00 C ATOM 790 C MET A 189 23.505 -17.932 -12.260 1.00 0.00 C ATOM 791 O MET A 189 24.414 -17.226 -12.688 1.00 0.00 O ATOM 792 CB MET A 189 21.803 -16.189 -12.957 1.00 0.00 C ATOM 793 CG MET A 189 20.921 -16.001 -14.197 1.00 0.00 C ATOM 794 SD MET A 189 21.676 -16.562 -15.749 1.00 0.00 S ATOM 795 CE MET A 189 23.118 -15.468 -15.801 1.00 0.00 C ATOM 0 H MET A 189 21.476 -18.035 -10.718 1.00 0.00 H new ATOM 0 HA MET A 189 21.895 -18.241 -13.626 1.00 0.00 H new ATOM 0 HB2 MET A 189 21.320 -15.742 -12.088 1.00 0.00 H new ATOM 0 HB3 MET A 189 22.752 -15.671 -13.096 1.00 0.00 H new ATOM 0 HG2 MET A 189 19.986 -16.540 -14.047 1.00 0.00 H new ATOM 0 HG3 MET A 189 20.669 -14.945 -14.291 1.00 0.00 H new ATOM 0 HE1 MET A 189 23.528 -15.454 -16.811 1.00 0.00 H new ATOM 0 HE2 MET A 189 22.820 -14.459 -15.517 1.00 0.00 H new ATOM 0 HE3 MET A 189 23.876 -15.831 -15.107 1.00 0.00 H new ATOM 805 N ARG A 190 23.723 -18.937 -11.402 1.00 0.00 N ATOM 806 CA ARG A 190 25.054 -19.244 -10.895 1.00 0.00 C ATOM 807 C ARG A 190 25.839 -20.060 -11.929 1.00 0.00 C ATOM 808 O ARG A 190 26.289 -21.168 -11.638 1.00 0.00 O ATOM 809 CB ARG A 190 24.917 -20.003 -9.568 1.00 0.00 C ATOM 810 CG ARG A 190 26.231 -19.916 -8.782 1.00 0.00 C ATOM 811 CD ARG A 190 26.091 -20.663 -7.451 1.00 0.00 C ATOM 812 NE ARG A 190 25.782 -22.085 -7.667 1.00 0.00 N ATOM 813 CZ ARG A 190 26.691 -22.987 -8.083 1.00 0.00 C ATOM 814 NH1 ARG A 190 27.965 -22.622 -8.285 1.00 0.00 N ATOM 815 NH2 ARG A 190 26.320 -24.256 -8.295 1.00 0.00 N ATOM 0 H ARG A 190 22.988 -19.549 -11.047 1.00 0.00 H new ATOM 0 HA ARG A 190 25.608 -18.323 -10.717 1.00 0.00 H new ATOM 0 HB2 ARG A 190 24.102 -19.581 -8.980 1.00 0.00 H new ATOM 0 HB3 ARG A 190 24.665 -21.046 -9.759 1.00 0.00 H new ATOM 0 HG2 ARG A 190 27.044 -20.346 -9.367 1.00 0.00 H new ATOM 0 HG3 ARG A 190 26.487 -18.873 -8.599 1.00 0.00 H new ATOM 0 HD2 ARG A 190 27.016 -20.572 -6.881 1.00 0.00 H new ATOM 0 HD3 ARG A 190 25.303 -20.204 -6.855 1.00 0.00 H new ATOM 0 HE ARG A 190 24.829 -22.404 -7.492 1.00 0.00 H new ATOM 0 HH11 ARG A 190 28.251 -21.656 -8.123 1.00 0.00 H new ATOM 0 HH12 ARG A 190 28.649 -23.310 -8.600 1.00 0.00 H new ATOM 0 HH21 ARG A 190 25.351 -24.537 -8.141 1.00 0.00 H new ATOM 0 HH22 ARG A 190 27.006 -24.942 -8.610 1.00 0.00 H new