USER MOD reduce.3.24.130724 H: found=0, std=0, add=346, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 347 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 220 THR OG1 : rot -34:sc= -2.27! USER MOD Set 1.2: A 222 HIS : no HD1:sc= -5.82! C(o=-8.1!,f=-8.3!) USER MOD Single : A 199 SER OG : rot 180:sc= 0 USER MOD Single : A 206 ASN : amide:sc= -9.99! C(o=-10!,f=-14!) USER MOD Single : A 210 THR OG1 : rot -34:sc= -5.08! USER MOD Single : A 212 THR OG1 : rot -172:sc= -1.58! USER MOD Single : A 223 TYR OH : rot 180:sc= 0 USER MOD Single : A 226 ASN : amide:sc= -0.322 K(o=-0.32,f=-1.5!) USER MOD Single : A 231 TYR OH : rot 180:sc= 0 USER MOD Single : A 232 HIS :FLIP no HE2:sc= -0.645 F(o=-2.4!,f=-0.65) USER MOD Single : A 233 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.393) USER MOD Single : A 234 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 235 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 237 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 238 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 198 6.410 -16.383 -5.830 1.00 1.00 N ATOM 2 CA GLY A 198 5.783 -16.614 -4.498 1.00 1.00 C ATOM 3 C GLY A 198 4.904 -15.417 -4.131 1.00 1.00 C ATOM 4 O GLY A 198 5.272 -14.589 -3.322 1.00 1.00 O ATOM 0 HA2 GLY A 198 5.184 -17.525 -4.519 1.00 1.00 H new ATOM 0 HA3 GLY A 198 6.554 -16.757 -3.741 1.00 1.00 H new ATOM 10 N SER A 199 3.743 -15.320 -4.720 1.00 1.00 N ATOM 11 CA SER A 199 2.840 -14.176 -4.404 1.00 1.00 C ATOM 12 C SER A 199 1.380 -14.636 -4.423 1.00 1.00 C ATOM 13 O SER A 199 0.527 -14.006 -5.015 1.00 1.00 O ATOM 14 CB SER A 199 3.093 -13.152 -5.510 1.00 1.00 C ATOM 15 OG SER A 199 3.306 -13.832 -6.740 1.00 1.00 O ATOM 0 H SER A 199 3.381 -15.983 -5.406 1.00 1.00 H new ATOM 0 HA SER A 199 3.031 -13.761 -3.414 1.00 1.00 H new ATOM 0 HB2 SER A 199 2.242 -12.476 -5.597 1.00 1.00 H new ATOM 0 HB3 SER A 199 3.961 -12.541 -5.264 1.00 1.00 H new ATOM 0 HG SER A 199 3.467 -13.178 -7.452 1.00 1.00 H new ATOM 21 N GLU A 200 1.088 -15.733 -3.780 1.00 1.00 N ATOM 22 CA GLU A 200 -0.316 -16.235 -3.760 1.00 1.00 C ATOM 23 C GLU A 200 -1.278 -15.101 -3.404 1.00 1.00 C ATOM 24 O GLU A 200 -2.272 -14.884 -4.067 1.00 1.00 O ATOM 25 CB GLU A 200 -0.336 -17.315 -2.678 1.00 1.00 C ATOM 26 CG GLU A 200 -1.520 -18.256 -2.913 1.00 1.00 C ATOM 27 CD GLU A 200 -1.724 -19.139 -1.682 1.00 1.00 C ATOM 28 OE1 GLU A 200 -0.936 -19.025 -0.757 1.00 1.00 O ATOM 29 OE2 GLU A 200 -2.666 -19.915 -1.684 1.00 1.00 O ATOM 0 H GLU A 200 1.760 -16.304 -3.268 1.00 1.00 H new ATOM 0 HA GLU A 200 -0.629 -16.624 -4.729 1.00 1.00 H new ATOM 0 HB2 GLU A 200 0.597 -17.878 -2.694 1.00 1.00 H new ATOM 0 HB3 GLU A 200 -0.414 -16.855 -1.693 1.00 1.00 H new ATOM 0 HG2 GLU A 200 -2.423 -17.679 -3.113 1.00 1.00 H new ATOM 0 HG3 GLU A 200 -1.337 -18.875 -3.791 1.00 1.00 H new ATOM 36 N ALA A 201 -0.986 -14.376 -2.363 1.00 1.00 N ATOM 37 CA ALA A 201 -1.880 -13.252 -1.960 1.00 1.00 C ATOM 38 C ALA A 201 -1.600 -12.018 -2.821 1.00 1.00 C ATOM 39 O ALA A 201 -0.924 -12.090 -3.827 1.00 1.00 O ATOM 40 CB ALA A 201 -1.535 -12.978 -0.496 1.00 1.00 C ATOM 0 H ALA A 201 -0.166 -14.512 -1.771 1.00 1.00 H new ATOM 0 HA ALA A 201 -2.935 -13.495 -2.091 1.00 1.00 H new ATOM 0 HB1 ALA A 201 -2.152 -12.161 -0.124 1.00 1.00 H new ATOM 0 HB2 ALA A 201 -1.723 -13.874 0.096 1.00 1.00 H new ATOM 0 HB3 ALA A 201 -0.483 -12.704 -0.415 1.00 1.00 H new ATOM 46 N ARG A 202 -2.111 -10.883 -2.427 1.00 1.00 N ATOM 47 CA ARG A 202 -1.872 -9.642 -3.217 1.00 1.00 C ATOM 48 C ARG A 202 -0.442 -9.145 -2.992 1.00 1.00 C ATOM 49 O ARG A 202 0.238 -9.573 -2.081 1.00 1.00 O ATOM 50 CB ARG A 202 -2.883 -8.631 -2.678 1.00 1.00 C ATOM 51 CG ARG A 202 -4.242 -8.864 -3.341 1.00 1.00 C ATOM 52 CD ARG A 202 -4.234 -8.263 -4.748 1.00 1.00 C ATOM 53 NE ARG A 202 -5.451 -8.814 -5.407 1.00 1.00 N ATOM 54 CZ ARG A 202 -5.377 -9.918 -6.099 1.00 1.00 C ATOM 55 NH1 ARG A 202 -4.886 -9.901 -7.308 1.00 1.00 N ATOM 56 NH2 ARG A 202 -5.796 -11.041 -5.583 1.00 1.00 N ATOM 0 H ARG A 202 -2.684 -10.762 -1.592 1.00 1.00 H new ATOM 0 HA ARG A 202 -1.989 -9.802 -4.289 1.00 1.00 H new ATOM 0 HB2 ARG A 202 -2.972 -8.732 -1.596 1.00 1.00 H new ATOM 0 HB3 ARG A 202 -2.539 -7.616 -2.876 1.00 1.00 H new ATOM 0 HG2 ARG A 202 -4.455 -9.932 -3.391 1.00 1.00 H new ATOM 0 HG3 ARG A 202 -5.032 -8.409 -2.744 1.00 1.00 H new ATOM 0 HD2 ARG A 202 -4.263 -7.174 -4.713 1.00 1.00 H new ATOM 0 HD3 ARG A 202 -3.331 -8.541 -5.291 1.00 1.00 H new ATOM 0 HE ARG A 202 -6.343 -8.328 -5.317 1.00 1.00 H new ATOM 0 HH11 ARG A 202 -4.559 -9.024 -7.713 1.00 1.00 H new ATOM 0 HH12 ARG A 202 -4.829 -10.765 -7.847 1.00 1.00 H new ATOM 0 HH21 ARG A 202 -6.181 -11.056 -4.639 1.00 1.00 H new ATOM 0 HH22 ARG A 202 -5.738 -11.904 -6.124 1.00 1.00 H new ATOM 70 N GLU A 203 0.020 -8.243 -3.814 1.00 1.00 N ATOM 71 CA GLU A 203 1.405 -7.720 -3.644 1.00 1.00 C ATOM 72 C GLU A 203 1.374 -6.203 -3.445 1.00 1.00 C ATOM 73 O GLU A 203 1.052 -5.456 -4.347 1.00 1.00 O ATOM 74 CB GLU A 203 2.125 -8.076 -4.943 1.00 1.00 C ATOM 75 CG GLU A 203 3.155 -9.175 -4.673 1.00 1.00 C ATOM 76 CD GLU A 203 4.405 -8.922 -5.517 1.00 1.00 C ATOM 77 OE1 GLU A 203 4.419 -7.940 -6.241 1.00 1.00 O ATOM 78 OE2 GLU A 203 5.328 -9.715 -5.425 1.00 1.00 O ATOM 0 H GLU A 203 -0.501 -7.846 -4.596 1.00 1.00 H new ATOM 0 HA GLU A 203 1.904 -8.145 -2.773 1.00 1.00 H new ATOM 0 HB2 GLU A 203 1.405 -8.413 -5.689 1.00 1.00 H new ATOM 0 HB3 GLU A 203 2.618 -7.194 -5.351 1.00 1.00 H new ATOM 0 HG2 GLU A 203 3.415 -9.192 -3.615 1.00 1.00 H new ATOM 0 HG3 GLU A 203 2.733 -10.151 -4.913 1.00 1.00 H new ATOM 85 N CYS A 204 1.704 -5.743 -2.270 1.00 1.00 N ATOM 86 CA CYS A 204 1.688 -4.278 -2.015 1.00 1.00 C ATOM 87 C CYS A 204 2.454 -3.540 -3.111 1.00 1.00 C ATOM 88 O CYS A 204 3.662 -3.633 -3.213 1.00 1.00 O ATOM 89 CB CYS A 204 2.390 -4.108 -0.673 1.00 1.00 C ATOM 90 SG CYS A 204 2.299 -2.377 -0.167 1.00 1.00 S ATOM 0 H CYS A 204 1.984 -6.319 -1.476 1.00 1.00 H new ATOM 0 HA CYS A 204 0.676 -3.872 -2.006 1.00 1.00 H new ATOM 0 HB2 CYS A 204 1.922 -4.744 0.078 1.00 1.00 H new ATOM 0 HB3 CYS A 204 3.431 -4.422 -0.752 1.00 1.00 H new ATOM 95 N VAL A 205 1.759 -2.799 -3.926 1.00 1.00 N ATOM 96 CA VAL A 205 2.444 -2.045 -5.012 1.00 1.00 C ATOM 97 C VAL A 205 3.607 -1.232 -4.437 1.00 1.00 C ATOM 98 O VAL A 205 4.503 -0.823 -5.149 1.00 1.00 O ATOM 99 CB VAL A 205 1.367 -1.120 -5.581 1.00 1.00 C ATOM 100 CG1 VAL A 205 0.298 -1.956 -6.286 1.00 1.00 C ATOM 101 CG2 VAL A 205 0.721 -0.329 -4.442 1.00 1.00 C ATOM 0 H VAL A 205 0.746 -2.682 -3.888 1.00 1.00 H new ATOM 0 HA VAL A 205 2.865 -2.700 -5.775 1.00 1.00 H new ATOM 0 HB VAL A 205 1.820 -0.431 -6.293 1.00 1.00 H new ATOM 0 HG11 VAL A 205 -0.470 -1.297 -6.692 1.00 1.00 H new ATOM 0 HG12 VAL A 205 0.756 -2.523 -7.097 1.00 1.00 H new ATOM 0 HG13 VAL A 205 -0.155 -2.645 -5.572 1.00 1.00 H new ATOM 0 HG21 VAL A 205 -0.047 0.331 -4.847 1.00 1.00 H new ATOM 0 HG22 VAL A 205 0.268 -1.020 -3.731 1.00 1.00 H new ATOM 0 HG23 VAL A 205 1.481 0.266 -3.936 1.00 1.00 H new ATOM 111 N ASN A 206 3.595 -0.987 -3.153 1.00 1.00 N ATOM 112 CA ASN A 206 4.692 -0.192 -2.536 1.00 1.00 C ATOM 113 C ASN A 206 5.836 -1.100 -2.074 1.00 1.00 C ATOM 114 O ASN A 206 6.964 -0.947 -2.500 1.00 1.00 O ATOM 115 CB ASN A 206 4.047 0.505 -1.339 1.00 1.00 C ATOM 116 CG ASN A 206 3.211 1.688 -1.829 1.00 1.00 C ATOM 117 OD1 ASN A 206 2.665 1.654 -2.914 1.00 1.00 O ATOM 118 ND2 ASN A 206 3.090 2.744 -1.072 1.00 1.00 N ATOM 0 H ASN A 206 2.872 -1.304 -2.507 1.00 1.00 H new ATOM 0 HA ASN A 206 5.127 0.515 -3.243 1.00 1.00 H new ATOM 0 HB2 ASN A 206 3.418 -0.197 -0.791 1.00 1.00 H new ATOM 0 HB3 ASN A 206 4.816 0.850 -0.648 1.00 1.00 H new ATOM 0 HD21 ASN A 206 2.538 3.540 -1.391 1.00 1.00 H new ATOM 0 HD22 ASN A 206 3.548 2.774 -0.161 1.00 1.00 H new ATOM 125 N CYS A 207 5.572 -2.029 -1.192 1.00 1.00 N ATOM 126 CA CYS A 207 6.664 -2.906 -0.708 1.00 1.00 C ATOM 127 C CYS A 207 6.404 -4.382 -1.073 1.00 1.00 C ATOM 128 O CYS A 207 7.193 -5.252 -0.764 1.00 1.00 O ATOM 129 CB CYS A 207 6.694 -2.663 0.807 1.00 1.00 C ATOM 130 SG CYS A 207 5.367 -3.563 1.647 1.00 1.00 S ATOM 0 H CYS A 207 4.652 -2.213 -0.792 1.00 1.00 H new ATOM 0 HA CYS A 207 7.626 -2.682 -1.168 1.00 1.00 H new ATOM 0 HB2 CYS A 207 7.658 -2.976 1.208 1.00 1.00 H new ATOM 0 HB3 CYS A 207 6.596 -1.596 1.008 1.00 1.00 H new ATOM 135 N GLY A 208 5.323 -4.665 -1.761 1.00 1.00 N ATOM 136 CA GLY A 208 5.039 -6.078 -2.182 1.00 1.00 C ATOM 137 C GLY A 208 4.501 -6.896 -1.007 1.00 1.00 C ATOM 138 O GLY A 208 4.203 -8.069 -1.137 1.00 1.00 O ATOM 0 H GLY A 208 4.624 -3.980 -2.050 1.00 1.00 H new ATOM 0 HA2 GLY A 208 4.314 -6.081 -2.996 1.00 1.00 H new ATOM 0 HA3 GLY A 208 5.950 -6.538 -2.565 1.00 1.00 H new ATOM 142 N ALA A 209 4.374 -6.292 0.131 1.00 1.00 N ATOM 143 CA ALA A 209 3.857 -7.018 1.324 1.00 1.00 C ATOM 144 C ALA A 209 2.604 -7.820 0.965 1.00 1.00 C ATOM 145 O ALA A 209 1.552 -7.263 0.732 1.00 1.00 O ATOM 146 CB ALA A 209 3.504 -5.916 2.317 1.00 1.00 C ATOM 0 H ALA A 209 4.608 -5.313 0.293 1.00 1.00 H new ATOM 0 HA ALA A 209 4.583 -7.727 1.721 1.00 1.00 H new ATOM 0 HB1 ALA A 209 3.113 -6.362 3.231 1.00 1.00 H new ATOM 0 HB2 ALA A 209 4.397 -5.336 2.549 1.00 1.00 H new ATOM 0 HB3 ALA A 209 2.749 -5.261 1.881 1.00 1.00 H new ATOM 152 N THR A 210 2.706 -9.120 0.931 1.00 1.00 N ATOM 153 CA THR A 210 1.511 -9.948 0.596 1.00 1.00 C ATOM 154 C THR A 210 1.057 -10.750 1.817 1.00 1.00 C ATOM 155 O THR A 210 0.405 -11.769 1.698 1.00 1.00 O ATOM 156 CB THR A 210 1.967 -10.878 -0.527 1.00 1.00 C ATOM 157 OG1 THR A 210 0.958 -11.847 -0.777 1.00 1.00 O ATOM 158 CG2 THR A 210 3.258 -11.580 -0.115 1.00 1.00 C ATOM 0 H THR A 210 3.561 -9.644 1.120 1.00 1.00 H new ATOM 0 HA THR A 210 0.662 -9.336 0.292 1.00 1.00 H new ATOM 0 HB THR A 210 2.144 -10.296 -1.432 1.00 1.00 H new ATOM 0 HG1 THR A 210 0.511 -12.078 0.064 1.00 1.00 H new ATOM 0 HG21 THR A 210 3.583 -12.243 -0.916 1.00 1.00 H new ATOM 0 HG22 THR A 210 4.031 -10.836 0.077 1.00 1.00 H new ATOM 0 HG23 THR A 210 3.083 -12.162 0.790 1.00 1.00 H new ATOM 166 N ALA A 211 1.388 -10.289 2.993 1.00 1.00 N ATOM 167 CA ALA A 211 0.969 -11.013 4.228 1.00 1.00 C ATOM 168 C ALA A 211 0.295 -10.032 5.188 1.00 1.00 C ATOM 169 O ALA A 211 0.416 -10.141 6.393 1.00 1.00 O ATOM 170 CB ALA A 211 2.263 -11.557 4.831 1.00 1.00 C ATOM 0 H ALA A 211 1.932 -9.441 3.152 1.00 1.00 H new ATOM 0 HA ALA A 211 0.256 -11.813 4.026 1.00 1.00 H new ATOM 0 HB1 ALA A 211 2.036 -12.104 5.746 1.00 1.00 H new ATOM 0 HB2 ALA A 211 2.744 -12.227 4.118 1.00 1.00 H new ATOM 0 HB3 ALA A 211 2.934 -10.729 5.060 1.00 1.00 H new ATOM 176 N THR A 212 -0.404 -9.067 4.658 1.00 1.00 N ATOM 177 CA THR A 212 -1.081 -8.061 5.526 1.00 1.00 C ATOM 178 C THR A 212 -2.453 -8.567 5.981 1.00 1.00 C ATOM 179 O THR A 212 -3.081 -9.358 5.307 1.00 1.00 O ATOM 180 CB THR A 212 -1.236 -6.827 4.637 1.00 1.00 C ATOM 181 OG1 THR A 212 -1.692 -5.736 5.421 1.00 1.00 O ATOM 182 CG2 THR A 212 -2.250 -7.116 3.528 1.00 1.00 C ATOM 0 H THR A 212 -0.536 -8.931 3.656 1.00 1.00 H new ATOM 0 HA THR A 212 -0.513 -7.854 6.433 1.00 1.00 H new ATOM 0 HB THR A 212 -0.273 -6.579 4.190 1.00 1.00 H new ATOM 0 HG1 THR A 212 -1.917 -4.983 4.835 1.00 1.00 H new ATOM 0 HG21 THR A 212 -2.359 -6.235 2.896 1.00 1.00 H new ATOM 0 HG22 THR A 212 -1.901 -7.954 2.925 1.00 1.00 H new ATOM 0 HG23 THR A 212 -3.214 -7.365 3.972 1.00 1.00 H new ATOM 190 N PRO A 213 -2.870 -8.079 7.118 1.00 1.00 N ATOM 191 CA PRO A 213 -4.186 -8.468 7.687 1.00 1.00 C ATOM 192 C PRO A 213 -5.329 -7.874 6.859 1.00 1.00 C ATOM 193 O PRO A 213 -6.468 -8.284 6.974 1.00 1.00 O ATOM 194 CB PRO A 213 -4.159 -7.864 9.091 1.00 1.00 C ATOM 195 CG PRO A 213 -3.194 -6.731 9.001 1.00 1.00 C ATOM 196 CD PRO A 213 -2.161 -7.125 7.979 1.00 1.00 C ATOM 0 HA PRO A 213 -4.348 -9.546 7.692 1.00 1.00 H new ATOM 0 HB2 PRO A 213 -5.148 -7.518 9.392 1.00 1.00 H new ATOM 0 HB3 PRO A 213 -3.839 -8.598 9.831 1.00 1.00 H new ATOM 0 HG2 PRO A 213 -3.701 -5.813 8.705 1.00 1.00 H new ATOM 0 HG3 PRO A 213 -2.729 -6.541 9.968 1.00 1.00 H new ATOM 0 HD2 PRO A 213 -1.807 -6.262 7.414 1.00 1.00 H new ATOM 0 HD3 PRO A 213 -1.288 -7.580 8.447 1.00 1.00 H new ATOM 204 N LEU A 214 -5.039 -6.911 6.025 1.00 1.00 N ATOM 205 CA LEU A 214 -6.114 -6.294 5.193 1.00 1.00 C ATOM 206 C LEU A 214 -5.499 -5.427 4.090 1.00 1.00 C ATOM 207 O LEU A 214 -4.515 -4.743 4.299 1.00 1.00 O ATOM 208 CB LEU A 214 -6.921 -5.434 6.166 1.00 1.00 C ATOM 209 CG LEU A 214 -8.290 -5.123 5.559 1.00 1.00 C ATOM 210 CD1 LEU A 214 -9.386 -5.436 6.579 1.00 1.00 C ATOM 211 CD2 LEU A 214 -8.354 -3.642 5.180 1.00 1.00 C ATOM 0 H LEU A 214 -4.105 -6.525 5.884 1.00 1.00 H new ATOM 0 HA LEU A 214 -6.734 -7.041 4.698 1.00 1.00 H new ATOM 0 HB2 LEU A 214 -7.043 -5.957 7.115 1.00 1.00 H new ATOM 0 HB3 LEU A 214 -6.387 -4.508 6.378 1.00 1.00 H new ATOM 0 HG LEU A 214 -8.439 -5.734 4.669 1.00 1.00 H new ATOM 0 HD11 LEU A 214 -10.361 -5.214 6.145 1.00 1.00 H new ATOM 0 HD12 LEU A 214 -9.341 -6.491 6.849 1.00 1.00 H new ATOM 0 HD13 LEU A 214 -9.238 -4.826 7.470 1.00 1.00 H new ATOM 0 HD21 LEU A 214 -9.329 -3.419 4.747 1.00 1.00 H new ATOM 0 HD22 LEU A 214 -8.204 -3.032 6.071 1.00 1.00 H new ATOM 0 HD23 LEU A 214 -7.574 -3.419 4.452 1.00 1.00 H new ATOM 223 N TRP A 215 -6.067 -5.452 2.915 1.00 1.00 N ATOM 224 CA TRP A 215 -5.513 -4.636 1.798 1.00 1.00 C ATOM 225 C TRP A 215 -6.355 -3.374 1.587 1.00 1.00 C ATOM 226 O TRP A 215 -7.544 -3.360 1.838 1.00 1.00 O ATOM 227 CB TRP A 215 -5.597 -5.549 0.577 1.00 1.00 C ATOM 228 CG TRP A 215 -4.631 -6.679 0.732 1.00 1.00 C ATOM 229 CD1 TRP A 215 -4.874 -7.813 1.429 1.00 1.00 C ATOM 230 CD2 TRP A 215 -3.280 -6.805 0.202 1.00 1.00 C ATOM 231 NE1 TRP A 215 -3.756 -8.626 1.360 1.00 1.00 N ATOM 232 CE2 TRP A 215 -2.749 -8.048 0.616 1.00 1.00 C ATOM 233 CE3 TRP A 215 -2.470 -5.969 -0.591 1.00 1.00 C ATOM 234 CZ2 TRP A 215 -1.461 -8.449 0.258 1.00 1.00 C ATOM 235 CZ3 TRP A 215 -1.174 -6.369 -0.952 1.00 1.00 C ATOM 236 CH2 TRP A 215 -0.669 -7.605 -0.528 1.00 1.00 C ATOM 0 H TRP A 215 -6.892 -6.003 2.680 1.00 1.00 H new ATOM 0 HA TRP A 215 -4.495 -4.301 1.994 1.00 1.00 H new ATOM 0 HB2 TRP A 215 -6.610 -5.935 0.468 1.00 1.00 H new ATOM 0 HB3 TRP A 215 -5.371 -4.985 -0.328 1.00 1.00 H new ATOM 0 HD1 TRP A 215 -5.789 -8.045 1.953 1.00 1.00 H new ATOM 0 HE1 TRP A 215 -3.686 -9.541 1.805 1.00 1.00 H new ATOM 0 HE3 TRP A 215 -2.849 -5.014 -0.923 1.00 1.00 H new ATOM 0 HZ2 TRP A 215 -1.078 -9.404 0.585 1.00 1.00 H new ATOM 0 HZ3 TRP A 215 -0.562 -5.720 -1.561 1.00 1.00 H new ATOM 0 HH2 TRP A 215 0.330 -7.906 -0.807 1.00 1.00 H new ATOM 247 N ARG A 216 -5.748 -2.315 1.121 1.00 1.00 N ATOM 248 CA ARG A 216 -6.512 -1.054 0.887 1.00 1.00 C ATOM 249 C ARG A 216 -6.126 -0.449 -0.467 1.00 1.00 C ATOM 250 O ARG A 216 -4.985 -0.100 -0.696 1.00 1.00 O ATOM 251 CB ARG A 216 -6.099 -0.119 2.025 1.00 1.00 C ATOM 252 CG ARG A 216 -6.857 -0.494 3.298 1.00 1.00 C ATOM 253 CD ARG A 216 -8.339 -0.156 3.130 1.00 1.00 C ATOM 254 NE ARG A 216 -8.595 0.945 4.099 1.00 1.00 N ATOM 255 CZ ARG A 216 -8.448 2.189 3.731 1.00 1.00 C ATOM 256 NH1 ARG A 216 -9.424 2.810 3.129 1.00 1.00 N ATOM 257 NH2 ARG A 216 -7.324 2.809 3.965 1.00 1.00 N ATOM 0 H ARG A 216 -4.755 -2.268 0.892 1.00 1.00 H new ATOM 0 HA ARG A 216 -7.589 -1.222 0.869 1.00 1.00 H new ATOM 0 HB2 ARG A 216 -5.025 -0.190 2.195 1.00 1.00 H new ATOM 0 HB3 ARG A 216 -6.312 0.915 1.755 1.00 1.00 H new ATOM 0 HG2 ARG A 216 -6.737 -1.557 3.505 1.00 1.00 H new ATOM 0 HG3 ARG A 216 -6.445 0.045 4.151 1.00 1.00 H new ATOM 0 HD2 ARG A 216 -8.559 0.157 2.109 1.00 1.00 H new ATOM 0 HD3 ARG A 216 -8.968 -1.021 3.341 1.00 1.00 H new ATOM 0 HE ARG A 216 -8.886 0.727 5.052 1.00 1.00 H new ATOM 0 HH11 ARG A 216 -10.302 2.324 2.946 1.00 1.00 H new ATOM 0 HH12 ARG A 216 -9.310 3.782 2.841 1.00 1.00 H new ATOM 0 HH21 ARG A 216 -6.561 2.322 4.435 1.00 1.00 H new ATOM 0 HH22 ARG A 216 -7.208 3.781 3.678 1.00 1.00 H new ATOM 271 N ARG A 217 -7.064 -0.327 -1.366 1.00 1.00 N ATOM 272 CA ARG A 217 -6.744 0.248 -2.701 1.00 1.00 C ATOM 273 C ARG A 217 -6.988 1.761 -2.710 1.00 1.00 C ATOM 274 O ARG A 217 -7.594 2.309 -1.810 1.00 1.00 O ATOM 275 CB ARG A 217 -7.697 -0.452 -3.668 1.00 1.00 C ATOM 276 CG ARG A 217 -7.639 -1.963 -3.436 1.00 1.00 C ATOM 277 CD ARG A 217 -8.987 -2.451 -2.899 1.00 1.00 C ATOM 278 NE ARG A 217 -9.964 -2.164 -3.987 1.00 1.00 N ATOM 279 CZ ARG A 217 -11.235 -2.398 -3.802 1.00 1.00 C ATOM 280 NH1 ARG A 217 -11.624 -3.117 -2.787 1.00 1.00 N ATOM 281 NH2 ARG A 217 -12.115 -1.911 -4.633 1.00 1.00 N ATOM 0 H ARG A 217 -8.037 -0.601 -1.233 1.00 1.00 H new ATOM 0 HA ARG A 217 -5.699 0.099 -2.971 1.00 1.00 H new ATOM 0 HB2 ARG A 217 -8.714 -0.089 -3.520 1.00 1.00 H new ATOM 0 HB3 ARG A 217 -7.423 -0.220 -4.697 1.00 1.00 H new ATOM 0 HG2 ARG A 217 -7.400 -2.475 -4.368 1.00 1.00 H new ATOM 0 HG3 ARG A 217 -6.846 -2.202 -2.728 1.00 1.00 H new ATOM 0 HD2 ARG A 217 -8.957 -3.516 -2.667 1.00 1.00 H new ATOM 0 HD3 ARG A 217 -9.257 -1.931 -1.980 1.00 1.00 H new ATOM 0 HE ARG A 217 -9.640 -1.785 -4.877 1.00 1.00 H new ATOM 0 HH11 ARG A 217 -10.935 -3.497 -2.137 1.00 1.00 H new ATOM 0 HH12 ARG A 217 -12.617 -3.300 -2.642 1.00 1.00 H new ATOM 0 HH21 ARG A 217 -11.810 -1.348 -5.427 1.00 1.00 H new ATOM 0 HH22 ARG A 217 -13.108 -2.094 -4.489 1.00 1.00 H new ATOM 295 N ASP A 218 -6.509 2.439 -3.718 1.00 1.00 N ATOM 296 CA ASP A 218 -6.697 3.912 -3.794 1.00 1.00 C ATOM 297 C ASP A 218 -7.187 4.313 -5.191 1.00 1.00 C ATOM 298 O ASP A 218 -7.695 3.500 -5.938 1.00 1.00 O ATOM 299 CB ASP A 218 -5.309 4.490 -3.527 1.00 1.00 C ATOM 300 CG ASP A 218 -4.249 3.675 -4.274 1.00 1.00 C ATOM 301 OD1 ASP A 218 -4.622 2.937 -5.171 1.00 1.00 O ATOM 302 OD2 ASP A 218 -3.084 3.802 -3.935 1.00 1.00 O ATOM 0 H ASP A 218 -5.992 2.030 -4.497 1.00 1.00 H new ATOM 0 HA ASP A 218 -7.439 4.276 -3.084 1.00 1.00 H new ATOM 0 HB2 ASP A 218 -5.272 5.531 -3.848 1.00 1.00 H new ATOM 0 HB3 ASP A 218 -5.101 4.479 -2.457 1.00 1.00 H new ATOM 307 N ARG A 219 -7.037 5.560 -5.552 1.00 1.00 N ATOM 308 CA ARG A 219 -7.491 6.011 -6.901 1.00 1.00 C ATOM 309 C ARG A 219 -6.870 5.139 -7.990 1.00 1.00 C ATOM 310 O ARG A 219 -7.427 4.968 -9.057 1.00 1.00 O ATOM 311 CB ARG A 219 -6.981 7.445 -7.037 1.00 1.00 C ATOM 312 CG ARG A 219 -8.164 8.393 -7.238 1.00 1.00 C ATOM 313 CD ARG A 219 -8.294 9.315 -6.024 1.00 1.00 C ATOM 314 NE ARG A 219 -9.757 9.402 -5.760 1.00 1.00 N ATOM 315 CZ ARG A 219 -10.201 10.150 -4.789 1.00 1.00 C ATOM 316 NH1 ARG A 219 -10.103 11.449 -4.869 1.00 1.00 N ATOM 317 NH2 ARG A 219 -10.742 9.599 -3.737 1.00 1.00 N ATOM 0 H ARG A 219 -6.619 6.287 -4.971 1.00 1.00 H new ATOM 0 HA ARG A 219 -8.574 5.943 -7.006 1.00 1.00 H new ATOM 0 HB2 ARG A 219 -6.422 7.729 -6.146 1.00 1.00 H new ATOM 0 HB3 ARG A 219 -6.295 7.519 -7.881 1.00 1.00 H new ATOM 0 HG2 ARG A 219 -8.020 8.984 -8.143 1.00 1.00 H new ATOM 0 HG3 ARG A 219 -9.082 7.822 -7.373 1.00 1.00 H new ATOM 0 HD2 ARG A 219 -7.761 8.911 -5.163 1.00 1.00 H new ATOM 0 HD3 ARG A 219 -7.871 10.298 -6.228 1.00 1.00 H new ATOM 0 HE ARG A 219 -10.412 8.876 -6.339 1.00 1.00 H new ATOM 0 HH11 ARG A 219 -9.679 11.879 -5.691 1.00 1.00 H new ATOM 0 HH12 ARG A 219 -10.450 12.034 -4.109 1.00 1.00 H new ATOM 0 HH21 ARG A 219 -10.817 8.584 -3.675 1.00 1.00 H new ATOM 0 HH22 ARG A 219 -11.090 10.184 -2.977 1.00 1.00 H new ATOM 331 N THR A 220 -5.713 4.595 -7.736 1.00 1.00 N ATOM 332 CA THR A 220 -5.052 3.749 -8.763 1.00 1.00 C ATOM 333 C THR A 220 -5.485 2.287 -8.610 1.00 1.00 C ATOM 334 O THR A 220 -5.033 1.416 -9.328 1.00 1.00 O ATOM 335 CB THR A 220 -3.557 3.908 -8.491 1.00 1.00 C ATOM 336 OG1 THR A 220 -3.215 3.196 -7.310 1.00 1.00 O ATOM 337 CG2 THR A 220 -3.232 5.392 -8.306 1.00 1.00 C ATOM 0 H THR A 220 -5.198 4.701 -6.862 1.00 1.00 H new ATOM 0 HA THR A 220 -5.315 4.043 -9.779 1.00 1.00 H new ATOM 0 HB THR A 220 -2.987 3.512 -9.331 1.00 1.00 H new ATOM 0 HG1 THR A 220 -3.963 3.232 -6.678 1.00 1.00 H new ATOM 0 HG21 THR A 220 -2.166 5.510 -8.112 1.00 1.00 H new ATOM 0 HG22 THR A 220 -3.498 5.938 -9.211 1.00 1.00 H new ATOM 0 HG23 THR A 220 -3.800 5.787 -7.464 1.00 1.00 H new ATOM 345 N GLY A 221 -6.367 2.016 -7.686 1.00 1.00 N ATOM 346 CA GLY A 221 -6.844 0.618 -7.490 1.00 1.00 C ATOM 347 C GLY A 221 -5.677 -0.291 -7.103 1.00 1.00 C ATOM 348 O GLY A 221 -5.678 -1.471 -7.394 1.00 1.00 O ATOM 0 H GLY A 221 -6.779 2.705 -7.057 1.00 1.00 H new ATOM 0 HA2 GLY A 221 -7.607 0.593 -6.712 1.00 1.00 H new ATOM 0 HA3 GLY A 221 -7.310 0.254 -8.406 1.00 1.00 H new ATOM 352 N HIS A 222 -4.683 0.238 -6.441 1.00 1.00 N ATOM 353 CA HIS A 222 -3.528 -0.613 -6.034 1.00 1.00 C ATOM 354 C HIS A 222 -3.898 -1.434 -4.794 1.00 1.00 C ATOM 355 O HIS A 222 -5.016 -1.386 -4.320 1.00 1.00 O ATOM 356 CB HIS A 222 -2.400 0.367 -5.709 1.00 1.00 C ATOM 357 CG HIS A 222 -1.875 0.966 -6.984 1.00 1.00 C ATOM 358 ND1 HIS A 222 -2.469 0.730 -8.213 1.00 1.00 N ATOM 359 CD2 HIS A 222 -0.808 1.794 -7.236 1.00 1.00 C ATOM 360 CE1 HIS A 222 -1.760 1.399 -9.141 1.00 1.00 C ATOM 361 NE2 HIS A 222 -0.737 2.065 -8.599 1.00 1.00 N ATOM 0 H HIS A 222 -4.621 1.218 -6.166 1.00 1.00 H new ATOM 0 HA HIS A 222 -3.238 -1.317 -6.814 1.00 1.00 H new ATOM 0 HB2 HIS A 222 -2.766 1.153 -5.049 1.00 1.00 H new ATOM 0 HB3 HIS A 222 -1.598 -0.147 -5.179 1.00 1.00 H new ATOM 0 HD2 HIS A 222 -0.128 2.176 -6.490 1.00 1.00 H new ATOM 0 HE1 HIS A 222 -1.990 1.397 -10.196 1.00 1.00 H new ATOM 0 HE2 HIS A 222 -0.051 2.647 -9.080 1.00 1.00 H new ATOM 369 N TYR A 223 -2.971 -2.183 -4.267 1.00 1.00 N ATOM 370 CA TYR A 223 -3.273 -2.998 -3.059 1.00 1.00 C ATOM 371 C TYR A 223 -2.142 -2.870 -2.039 1.00 1.00 C ATOM 372 O TYR A 223 -1.399 -3.800 -1.804 1.00 1.00 O ATOM 373 CB TYR A 223 -3.365 -4.435 -3.563 1.00 1.00 C ATOM 374 CG TYR A 223 -4.792 -4.752 -3.934 1.00 1.00 C ATOM 375 CD1 TYR A 223 -5.328 -4.276 -5.136 1.00 1.00 C ATOM 376 CD2 TYR A 223 -5.582 -5.525 -3.073 1.00 1.00 C ATOM 377 CE1 TYR A 223 -6.653 -4.570 -5.477 1.00 1.00 C ATOM 378 CE2 TYR A 223 -6.907 -5.819 -3.414 1.00 1.00 C ATOM 379 CZ TYR A 223 -7.443 -5.343 -4.616 1.00 1.00 C ATOM 380 OH TYR A 223 -8.749 -5.632 -4.951 1.00 1.00 O ATOM 0 H TYR A 223 -2.018 -2.266 -4.620 1.00 1.00 H new ATOM 0 HA TYR A 223 -4.190 -2.675 -2.566 1.00 1.00 H new ATOM 0 HB2 TYR A 223 -2.716 -4.570 -4.428 1.00 1.00 H new ATOM 0 HB3 TYR A 223 -3.017 -5.124 -2.793 1.00 1.00 H new ATOM 0 HD1 TYR A 223 -4.719 -3.682 -5.801 1.00 1.00 H new ATOM 0 HD2 TYR A 223 -5.168 -5.894 -2.146 1.00 1.00 H new ATOM 0 HE1 TYR A 223 -7.067 -4.201 -6.404 1.00 1.00 H new ATOM 0 HE2 TYR A 223 -7.516 -6.413 -2.749 1.00 1.00 H new ATOM 0 HH TYR A 223 -9.154 -6.178 -4.246 1.00 1.00 H new ATOM 390 N LEU A 224 -1.999 -1.726 -1.427 1.00 1.00 N ATOM 391 CA LEU A 224 -0.910 -1.563 -0.426 1.00 1.00 C ATOM 392 C LEU A 224 -1.073 -2.602 0.686 1.00 1.00 C ATOM 393 O LEU A 224 -2.009 -3.375 0.689 1.00 1.00 O ATOM 394 CB LEU A 224 -1.070 -0.147 0.123 1.00 1.00 C ATOM 395 CG LEU A 224 0.201 0.651 -0.169 1.00 1.00 C ATOM 396 CD1 LEU A 224 0.427 0.720 -1.678 1.00 1.00 C ATOM 397 CD2 LEU A 224 0.052 2.067 0.390 1.00 1.00 C ATOM 0 H LEU A 224 -2.584 -0.904 -1.576 1.00 1.00 H new ATOM 0 HA LEU A 224 0.079 -1.709 -0.860 1.00 1.00 H new ATOM 0 HB2 LEU A 224 -1.932 0.338 -0.335 1.00 1.00 H new ATOM 0 HB3 LEU A 224 -1.255 -0.179 1.197 1.00 1.00 H new ATOM 0 HG LEU A 224 1.053 0.161 0.302 1.00 1.00 H new ATOM 0 HD11 LEU A 224 1.333 1.289 -1.885 1.00 1.00 H new ATOM 0 HD12 LEU A 224 0.533 -0.289 -2.076 1.00 1.00 H new ATOM 0 HD13 LEU A 224 -0.424 1.209 -2.151 1.00 1.00 H new ATOM 0 HD21 LEU A 224 0.958 2.637 0.183 1.00 1.00 H new ATOM 0 HD22 LEU A 224 -0.801 2.556 -0.081 1.00 1.00 H new ATOM 0 HD23 LEU A 224 -0.107 2.018 1.467 1.00 1.00 H new ATOM 409 N CYS A 225 -0.170 -2.637 1.627 1.00 1.00 N ATOM 410 CA CYS A 225 -0.294 -3.639 2.723 1.00 1.00 C ATOM 411 C CYS A 225 -0.860 -2.986 3.986 1.00 1.00 C ATOM 412 O CYS A 225 -1.683 -3.558 4.669 1.00 1.00 O ATOM 413 CB CYS A 225 1.127 -4.163 2.960 1.00 1.00 C ATOM 414 SG CYS A 225 2.199 -2.825 3.545 1.00 1.00 S ATOM 0 H CYS A 225 0.641 -2.021 1.685 1.00 1.00 H new ATOM 0 HA CYS A 225 -0.977 -4.447 2.462 1.00 1.00 H new ATOM 0 HB2 CYS A 225 1.107 -4.970 3.693 1.00 1.00 H new ATOM 0 HB3 CYS A 225 1.527 -4.581 2.036 1.00 1.00 H new ATOM 419 N ASN A 226 -0.439 -1.793 4.307 1.00 1.00 N ATOM 420 CA ASN A 226 -0.972 -1.125 5.529 1.00 1.00 C ATOM 421 C ASN A 226 -0.179 0.147 5.835 1.00 1.00 C ATOM 422 O ASN A 226 -0.650 1.249 5.638 1.00 1.00 O ATOM 423 CB ASN A 226 -0.784 -2.141 6.659 1.00 1.00 C ATOM 424 CG ASN A 226 -2.127 -2.407 7.339 1.00 1.00 C ATOM 425 OD1 ASN A 226 -3.166 -2.332 6.713 1.00 1.00 O ATOM 426 ND2 ASN A 226 -2.149 -2.716 8.604 1.00 1.00 N ATOM 0 H ASN A 226 0.247 -1.254 3.779 1.00 1.00 H new ATOM 0 HA ASN A 226 -2.015 -0.833 5.405 1.00 1.00 H new ATOM 0 HB2 ASN A 226 -0.376 -3.070 6.262 1.00 1.00 H new ATOM 0 HB3 ASN A 226 -0.066 -1.762 7.386 1.00 1.00 H new ATOM 0 HD21 ASN A 226 -3.039 -2.895 9.070 1.00 1.00 H new ATOM 0 HD22 ASN A 226 -1.277 -2.779 9.129 1.00 1.00 H new ATOM 433 N ALA A 227 1.018 -0.003 6.329 1.00 1.00 N ATOM 434 CA ALA A 227 1.843 1.192 6.666 1.00 1.00 C ATOM 435 C ALA A 227 2.193 1.986 5.402 1.00 1.00 C ATOM 436 O ALA A 227 2.377 3.185 5.445 1.00 1.00 O ATOM 437 CB ALA A 227 3.106 0.628 7.313 1.00 1.00 C ATOM 0 H ALA A 227 1.462 -0.902 6.514 1.00 1.00 H new ATOM 0 HA ALA A 227 1.314 1.880 7.326 1.00 1.00 H new ATOM 0 HB1 ALA A 227 3.769 1.447 7.592 1.00 1.00 H new ATOM 0 HB2 ALA A 227 2.836 0.061 8.204 1.00 1.00 H new ATOM 0 HB3 ALA A 227 3.616 -0.027 6.606 1.00 1.00 H new ATOM 443 N CYS A 228 2.291 1.328 4.278 1.00 1.00 N ATOM 444 CA CYS A 228 2.632 2.056 3.022 1.00 1.00 C ATOM 445 C CYS A 228 1.577 3.127 2.729 1.00 1.00 C ATOM 446 O CYS A 228 1.849 4.121 2.087 1.00 1.00 O ATOM 447 CB CYS A 228 2.632 0.990 1.935 1.00 1.00 C ATOM 448 SG CYS A 228 4.148 0.003 2.042 1.00 1.00 S ATOM 0 H CYS A 228 2.150 0.323 4.175 1.00 1.00 H new ATOM 0 HA CYS A 228 3.592 2.568 3.088 1.00 1.00 H new ATOM 0 HB2 CYS A 228 1.759 0.346 2.045 1.00 1.00 H new ATOM 0 HB3 CYS A 228 2.561 1.459 0.953 1.00 1.00 H new ATOM 453 N GLY A 229 0.374 2.932 3.198 1.00 1.00 N ATOM 454 CA GLY A 229 -0.696 3.939 2.948 1.00 1.00 C ATOM 455 C GLY A 229 -0.760 4.918 4.121 1.00 1.00 C ATOM 456 O GLY A 229 -1.292 6.004 4.005 1.00 1.00 O ATOM 0 H GLY A 229 0.086 2.119 3.743 1.00 1.00 H new ATOM 0 HA2 GLY A 229 -0.494 4.477 2.022 1.00 1.00 H new ATOM 0 HA3 GLY A 229 -1.657 3.440 2.824 1.00 1.00 H new ATOM 460 N LEU A 230 -0.222 4.542 5.250 1.00 1.00 N ATOM 461 CA LEU A 230 -0.252 5.453 6.430 1.00 1.00 C ATOM 462 C LEU A 230 0.058 6.890 6.001 1.00 1.00 C ATOM 463 O LEU A 230 -0.657 7.815 6.332 1.00 1.00 O ATOM 464 CB LEU A 230 0.831 4.930 7.368 1.00 1.00 C ATOM 465 CG LEU A 230 0.244 4.732 8.766 1.00 1.00 C ATOM 466 CD1 LEU A 230 1.365 4.388 9.749 1.00 1.00 C ATOM 467 CD2 LEU A 230 -0.444 6.025 9.213 1.00 1.00 C ATOM 0 H LEU A 230 0.236 3.644 5.406 1.00 1.00 H new ATOM 0 HA LEU A 230 -1.231 5.469 6.909 1.00 1.00 H new ATOM 0 HB2 LEU A 230 1.228 3.987 6.992 1.00 1.00 H new ATOM 0 HB3 LEU A 230 1.663 5.633 7.408 1.00 1.00 H new ATOM 0 HG LEU A 230 -0.481 3.918 8.744 1.00 1.00 H new ATOM 0 HD11 LEU A 230 0.945 4.247 10.745 1.00 1.00 H new ATOM 0 HD12 LEU A 230 1.859 3.470 9.431 1.00 1.00 H new ATOM 0 HD13 LEU A 230 2.090 5.201 9.773 1.00 1.00 H new ATOM 0 HD21 LEU A 230 -0.864 5.888 10.209 1.00 1.00 H new ATOM 0 HD22 LEU A 230 0.284 6.836 9.234 1.00 1.00 H new ATOM 0 HD23 LEU A 230 -1.243 6.273 8.514 1.00 1.00 H new ATOM 479 N TYR A 231 1.119 7.082 5.268 1.00 1.00 N ATOM 480 CA TYR A 231 1.473 8.460 4.820 1.00 1.00 C ATOM 481 C TYR A 231 0.254 9.141 4.193 1.00 1.00 C ATOM 482 O TYR A 231 0.019 10.318 4.385 1.00 1.00 O ATOM 483 CB TYR A 231 2.575 8.264 3.776 1.00 1.00 C ATOM 484 CG TYR A 231 3.455 9.489 3.738 1.00 1.00 C ATOM 485 CD1 TYR A 231 4.205 9.850 4.865 1.00 1.00 C ATOM 486 CD2 TYR A 231 3.520 10.266 2.576 1.00 1.00 C ATOM 487 CE1 TYR A 231 5.019 10.988 4.828 1.00 1.00 C ATOM 488 CE2 TYR A 231 4.335 11.403 2.539 1.00 1.00 C ATOM 489 CZ TYR A 231 5.084 11.764 3.665 1.00 1.00 C ATOM 490 OH TYR A 231 5.887 12.886 3.629 1.00 1.00 O ATOM 0 H TYR A 231 1.756 6.347 4.960 1.00 1.00 H new ATOM 0 HA TYR A 231 1.800 9.093 5.645 1.00 1.00 H new ATOM 0 HB2 TYR A 231 3.169 7.383 4.020 1.00 1.00 H new ATOM 0 HB3 TYR A 231 2.134 8.089 2.795 1.00 1.00 H new ATOM 0 HD1 TYR A 231 4.155 9.250 5.762 1.00 1.00 H new ATOM 0 HD2 TYR A 231 2.941 9.988 1.708 1.00 1.00 H new ATOM 0 HE1 TYR A 231 5.597 11.267 5.697 1.00 1.00 H new ATOM 0 HE2 TYR A 231 4.386 12.002 1.642 1.00 1.00 H new ATOM 0 HH TYR A 231 5.818 13.310 2.748 1.00 1.00 H new ATOM 500 N HIS A 232 -0.523 8.409 3.442 1.00 1.00 N ATOM 501 CA HIS A 232 -1.726 9.008 2.798 1.00 1.00 C ATOM 502 C HIS A 232 -2.764 9.392 3.859 1.00 1.00 C ATOM 503 O HIS A 232 -3.616 10.228 3.632 1.00 1.00 O ATOM 504 CB HIS A 232 -2.271 7.906 1.888 1.00 1.00 C ATOM 505 CG HIS A 232 -2.954 8.528 0.701 1.00 1.00 C ATOM 506 ND1 HIS A 232 -2.506 9.389 -0.268 1.00 1.00 N flip ATOM 507 CD2 HIS A 232 -4.284 8.278 0.400 1.00 1.00 C flip ATOM 508 CE1 HIS A 232 -3.539 9.671 -1.158 1.00 1.00 C flip ATOM 509 NE2 HIS A 232 -4.587 8.975 -0.709 1.00 1.00 N flip ATOM 0 H HIS A 232 -0.376 7.419 3.246 1.00 1.00 H new ATOM 0 HA HIS A 232 -1.490 9.918 2.246 1.00 1.00 H new ATOM 0 HB2 HIS A 232 -1.459 7.259 1.556 1.00 1.00 H new ATOM 0 HB3 HIS A 232 -2.973 7.280 2.438 1.00 1.00 H new ATOM 0 HD1 HIS A 232 -1.560 9.766 -0.328 1.00 1.00 H new ATOM 0 HD2 HIS A 232 -4.955 7.639 0.955 1.00 1.00 H new ATOM 0 HE1 HIS A 232 -3.501 10.314 -2.025 1.00 1.00 H new ATOM 517 N LYS A 233 -2.706 8.785 5.011 1.00 1.00 N ATOM 518 CA LYS A 233 -3.695 9.114 6.078 1.00 1.00 C ATOM 519 C LYS A 233 -3.294 10.399 6.809 1.00 1.00 C ATOM 520 O LYS A 233 -4.119 11.241 7.101 1.00 1.00 O ATOM 521 CB LYS A 233 -3.656 7.922 7.034 1.00 1.00 C ATOM 522 CG LYS A 233 -3.765 6.623 6.233 1.00 1.00 C ATOM 523 CD LYS A 233 -4.862 5.743 6.834 1.00 1.00 C ATOM 524 CE LYS A 233 -5.292 4.690 5.811 1.00 1.00 C ATOM 525 NZ LYS A 233 -4.096 3.823 5.629 1.00 1.00 N ATOM 0 H LYS A 233 -2.017 8.075 5.261 1.00 1.00 H new ATOM 0 HA LYS A 233 -4.692 9.283 5.672 1.00 1.00 H new ATOM 0 HB2 LYS A 233 -2.729 7.932 7.607 1.00 1.00 H new ATOM 0 HB3 LYS A 233 -4.474 7.990 7.751 1.00 1.00 H new ATOM 0 HG2 LYS A 233 -3.992 6.844 5.190 1.00 1.00 H new ATOM 0 HG3 LYS A 233 -2.812 6.094 6.246 1.00 1.00 H new ATOM 0 HD2 LYS A 233 -4.498 5.258 7.740 1.00 1.00 H new ATOM 0 HD3 LYS A 233 -5.717 6.355 7.122 1.00 1.00 H new ATOM 0 HE2 LYS A 233 -6.146 4.115 6.170 1.00 1.00 H new ATOM 0 HE3 LYS A 233 -5.592 5.152 4.870 1.00 1.00 H new ATOM 0 HZ1 LYS A 233 -4.388 2.909 5.228 1.00 1.00 H new ATOM 0 HZ2 LYS A 233 -3.426 4.287 4.983 1.00 1.00 H new ATOM 0 HZ3 LYS A 233 -3.637 3.667 6.549 1.00 1.00 H new ATOM 539 N MET A 234 -2.033 10.552 7.116 1.00 1.00 N ATOM 540 CA MET A 234 -1.585 11.780 7.837 1.00 1.00 C ATOM 541 C MET A 234 -1.224 12.889 6.847 1.00 1.00 C ATOM 542 O MET A 234 -1.958 13.842 6.670 1.00 1.00 O ATOM 543 CB MET A 234 -0.350 11.341 8.626 1.00 1.00 C ATOM 544 CG MET A 234 -0.789 10.645 9.916 1.00 1.00 C ATOM 545 SD MET A 234 -0.280 11.640 11.341 1.00 1.00 S ATOM 546 CE MET A 234 -1.908 11.773 12.119 1.00 1.00 C ATOM 0 H MET A 234 -1.295 9.882 6.899 1.00 1.00 H new ATOM 0 HA MET A 234 -2.365 12.184 8.482 1.00 1.00 H new ATOM 0 HB2 MET A 234 0.258 10.665 8.024 1.00 1.00 H new ATOM 0 HB3 MET A 234 0.271 12.205 8.860 1.00 1.00 H new ATOM 0 HG2 MET A 234 -1.871 10.511 9.920 1.00 1.00 H new ATOM 0 HG3 MET A 234 -0.345 9.651 9.975 1.00 1.00 H new ATOM 0 HE1 MET A 234 -1.827 12.359 13.034 1.00 1.00 H new ATOM 0 HE2 MET A 234 -2.600 12.263 11.434 1.00 1.00 H new ATOM 0 HE3 MET A 234 -2.280 10.777 12.358 1.00 1.00 H new ATOM 556 N ASN A 235 -0.092 12.779 6.209 1.00 1.00 N ATOM 557 CA ASN A 235 0.326 13.832 5.238 1.00 1.00 C ATOM 558 C ASN A 235 -0.563 13.799 3.991 1.00 1.00 C ATOM 559 O ASN A 235 -0.777 14.806 3.347 1.00 1.00 O ATOM 560 CB ASN A 235 1.770 13.485 4.878 1.00 1.00 C ATOM 561 CG ASN A 235 2.720 14.180 5.852 1.00 1.00 C ATOM 562 OD1 ASN A 235 3.257 15.227 5.554 1.00 1.00 O ATOM 563 ND2 ASN A 235 2.953 13.637 7.016 1.00 1.00 N ATOM 0 H ASN A 235 0.563 12.005 6.317 1.00 1.00 H new ATOM 0 HA ASN A 235 0.237 14.834 5.657 1.00 1.00 H new ATOM 0 HB2 ASN A 235 1.917 12.406 4.918 1.00 1.00 H new ATOM 0 HB3 ASN A 235 1.986 13.798 3.857 1.00 1.00 H new ATOM 0 HD21 ASN A 235 3.586 14.093 7.674 1.00 1.00 H new ATOM 0 HD22 ASN A 235 2.502 12.757 7.268 1.00 1.00 H new ATOM 570 N GLY A 236 -1.079 12.655 3.649 1.00 1.00 N ATOM 571 CA GLY A 236 -1.953 12.564 2.451 1.00 1.00 C ATOM 572 C GLY A 236 -1.105 12.264 1.214 1.00 1.00 C ATOM 573 O GLY A 236 -1.604 11.817 0.202 1.00 1.00 O ATOM 0 H GLY A 236 -0.933 11.778 4.148 1.00 1.00 H new ATOM 0 HA2 GLY A 236 -2.698 11.781 2.591 1.00 1.00 H new ATOM 0 HA3 GLY A 236 -2.496 13.499 2.313 1.00 1.00 H new ATOM 577 N GLN A 237 0.176 12.504 1.286 1.00 1.00 N ATOM 578 CA GLN A 237 1.052 12.229 0.111 1.00 1.00 C ATOM 579 C GLN A 237 1.388 10.737 0.040 1.00 1.00 C ATOM 580 O GLN A 237 0.852 9.936 0.781 1.00 1.00 O ATOM 581 CB GLN A 237 2.314 13.058 0.355 1.00 1.00 C ATOM 582 CG GLN A 237 2.066 14.501 -0.090 1.00 1.00 C ATOM 583 CD GLN A 237 3.392 15.260 -0.127 1.00 1.00 C ATOM 584 OE1 GLN A 237 4.337 14.890 0.543 1.00 1.00 O ATOM 585 NE2 GLN A 237 3.507 16.314 -0.890 1.00 1.00 N ATOM 0 H GLN A 237 0.653 12.878 2.106 1.00 1.00 H new ATOM 0 HA GLN A 237 0.573 12.489 -0.833 1.00 1.00 H new ATOM 0 HB2 GLN A 237 2.581 13.032 1.411 1.00 1.00 H new ATOM 0 HB3 GLN A 237 3.153 12.634 -0.197 1.00 1.00 H new ATOM 0 HG2 GLN A 237 1.600 14.514 -1.075 1.00 1.00 H new ATOM 0 HG3 GLN A 237 1.374 14.990 0.596 1.00 1.00 H new ATOM 0 HE21 GLN A 237 2.715 16.625 -1.452 1.00 1.00 H new ATOM 0 HE22 GLN A 237 4.389 16.826 -0.923 1.00 1.00 H new ATOM 594 N ASN A 238 2.265 10.357 -0.847 1.00 1.00 N ATOM 595 CA ASN A 238 2.631 8.918 -0.968 1.00 1.00 C ATOM 596 C ASN A 238 3.797 8.581 -0.034 1.00 1.00 C ATOM 597 O ASN A 238 4.574 9.437 0.339 1.00 1.00 O ATOM 598 CB ASN A 238 3.048 8.746 -2.426 1.00 1.00 C ATOM 599 CG ASN A 238 1.943 9.275 -3.341 1.00 1.00 C ATOM 600 OD1 ASN A 238 0.777 9.207 -3.007 1.00 1.00 O ATOM 601 ND2 ASN A 238 2.262 9.803 -4.492 1.00 1.00 N ATOM 0 H ASN A 238 2.745 10.982 -1.495 1.00 1.00 H new ATOM 0 HA ASN A 238 1.809 8.258 -0.693 1.00 1.00 H new ATOM 0 HB2 ASN A 238 3.978 9.282 -2.615 1.00 1.00 H new ATOM 0 HB3 ASN A 238 3.238 7.694 -2.639 1.00 1.00 H new ATOM 0 HD21 ASN A 238 1.532 10.158 -5.110 1.00 1.00 H new ATOM 0 HD22 ASN A 238 3.241 9.860 -4.773 1.00 1.00 H new ATOM 608 N ARG A 239 3.928 7.337 0.341 1.00 1.00 N ATOM 609 CA ARG A 239 5.049 6.943 1.245 1.00 1.00 C ATOM 610 C ARG A 239 6.289 6.596 0.416 1.00 1.00 C ATOM 611 O ARG A 239 6.228 5.771 -0.474 1.00 1.00 O ATOM 612 CB ARG A 239 4.538 5.711 1.993 1.00 1.00 C ATOM 613 CG ARG A 239 5.581 5.269 3.021 1.00 1.00 C ATOM 614 CD ARG A 239 5.611 6.266 4.182 1.00 1.00 C ATOM 615 NE ARG A 239 5.003 5.537 5.330 1.00 1.00 N ATOM 616 CZ ARG A 239 5.258 5.915 6.551 1.00 1.00 C ATOM 617 NH1 ARG A 239 5.654 7.137 6.786 1.00 1.00 N ATOM 618 NH2 ARG A 239 5.119 5.073 7.538 1.00 1.00 N ATOM 0 H ARG A 239 3.308 6.577 0.061 1.00 1.00 H new ATOM 0 HA ARG A 239 5.335 7.742 1.929 1.00 1.00 H new ATOM 0 HB2 ARG A 239 3.596 5.940 2.491 1.00 1.00 H new ATOM 0 HB3 ARG A 239 4.339 4.902 1.290 1.00 1.00 H new ATOM 0 HG2 ARG A 239 5.342 4.272 3.391 1.00 1.00 H new ATOM 0 HG3 ARG A 239 6.564 5.209 2.554 1.00 1.00 H new ATOM 0 HD2 ARG A 239 6.630 6.579 4.408 1.00 1.00 H new ATOM 0 HD3 ARG A 239 5.047 7.167 3.943 1.00 1.00 H new ATOM 0 HE ARG A 239 4.387 4.742 5.160 1.00 1.00 H new ATOM 0 HH11 ARG A 239 5.764 7.795 6.014 1.00 1.00 H new ATOM 0 HH12 ARG A 239 5.854 7.434 7.741 1.00 1.00 H new ATOM 0 HH21 ARG A 239 4.811 4.118 7.354 1.00 1.00 H new ATOM 0 HH22 ARG A 239 5.319 5.370 8.493 1.00 1.00 H new ATOM 632 N PRO A 240 7.379 7.242 0.735 1.00 1.00 N ATOM 633 CA PRO A 240 8.648 7.001 0.006 1.00 1.00 C ATOM 634 C PRO A 240 9.241 5.642 0.388 1.00 1.00 C ATOM 635 O PRO A 240 8.802 5.000 1.320 1.00 1.00 O ATOM 636 CB PRO A 240 9.553 8.138 0.474 1.00 1.00 C ATOM 637 CG PRO A 240 9.011 8.537 1.809 1.00 1.00 C ATOM 638 CD PRO A 240 7.533 8.247 1.795 1.00 1.00 C ATOM 0 HA PRO A 240 8.519 6.981 -1.076 1.00 1.00 H new ATOM 0 HB2 PRO A 240 10.590 7.811 0.550 1.00 1.00 H new ATOM 0 HB3 PRO A 240 9.532 8.973 -0.226 1.00 1.00 H new ATOM 0 HG2 PRO A 240 9.504 7.981 2.606 1.00 1.00 H new ATOM 0 HG3 PRO A 240 9.194 9.595 1.998 1.00 1.00 H new ATOM 0 HD2 PRO A 240 7.191 7.867 2.758 1.00 1.00 H new ATOM 0 HD3 PRO A 240 6.952 9.144 1.582 1.00 1.00 H new ATOM 646 N LEU A 241 10.242 5.205 -0.327 1.00 1.00 N ATOM 647 CA LEU A 241 10.871 3.898 -0.012 1.00 1.00 C ATOM 648 C LEU A 241 12.393 4.009 -0.131 1.00 1.00 C ATOM 649 O LEU A 241 12.925 5.053 -0.449 1.00 1.00 O ATOM 650 CB LEU A 241 10.321 2.920 -1.053 1.00 1.00 C ATOM 651 CG LEU A 241 8.795 3.014 -1.094 1.00 1.00 C ATOM 652 CD1 LEU A 241 8.270 2.260 -2.317 1.00 1.00 C ATOM 653 CD2 LEU A 241 8.211 2.388 0.175 1.00 1.00 C ATOM 0 H LEU A 241 10.650 5.702 -1.119 1.00 1.00 H new ATOM 0 HA LEU A 241 10.650 3.569 1.003 1.00 1.00 H new ATOM 0 HB2 LEU A 241 10.735 3.148 -2.035 1.00 1.00 H new ATOM 0 HB3 LEU A 241 10.626 1.903 -0.807 1.00 1.00 H new ATOM 0 HG LEU A 241 8.498 4.061 -1.155 1.00 1.00 H new ATOM 0 HD11 LEU A 241 7.182 2.327 -2.346 1.00 1.00 H new ATOM 0 HD12 LEU A 241 8.685 2.702 -3.223 1.00 1.00 H new ATOM 0 HD13 LEU A 241 8.568 1.213 -2.255 1.00 1.00 H new ATOM 0 HD21 LEU A 241 7.123 2.455 0.146 1.00 1.00 H new ATOM 0 HD22 LEU A 241 8.509 1.341 0.235 1.00 1.00 H new ATOM 0 HD23 LEU A 241 8.584 2.922 1.049 1.00 1.00 H new ATOM 665 N ILE A 242 13.099 2.941 0.122 1.00 1.00 N ATOM 666 CA ILE A 242 14.580 2.991 0.022 1.00 1.00 C ATOM 667 C ILE A 242 15.047 2.354 -1.291 1.00 1.00 C ATOM 668 O ILE A 242 15.374 3.038 -2.240 1.00 1.00 O ATOM 669 CB ILE A 242 15.089 2.188 1.220 1.00 1.00 C ATOM 670 CG1 ILE A 242 14.670 2.891 2.514 1.00 1.00 C ATOM 671 CG2 ILE A 242 16.615 2.096 1.161 1.00 1.00 C ATOM 672 CD1 ILE A 242 15.280 4.292 2.556 1.00 1.00 C ATOM 0 H ILE A 242 12.712 2.037 0.393 1.00 1.00 H new ATOM 0 HA ILE A 242 14.957 4.014 0.029 1.00 1.00 H new ATOM 0 HB ILE A 242 14.664 1.184 1.195 1.00 1.00 H new ATOM 0 HG12 ILE A 242 13.583 2.955 2.570 1.00 1.00 H new ATOM 0 HG13 ILE A 242 15.000 2.313 3.377 1.00 1.00 H new ATOM 0 HG21 ILE A 242 16.978 1.524 2.015 1.00 1.00 H new ATOM 0 HG22 ILE A 242 16.914 1.600 0.238 1.00 1.00 H new ATOM 0 HG23 ILE A 242 17.041 3.099 1.189 1.00 1.00 H new ATOM 0 HD11 ILE A 242 14.981 4.792 3.478 1.00 1.00 H new ATOM 0 HD12 ILE A 242 16.367 4.217 2.520 1.00 1.00 H new ATOM 0 HD13 ILE A 242 14.928 4.868 1.700 1.00 1.00 H new ATOM 684 N ARG A 243 15.080 1.052 -1.350 1.00 1.00 N ATOM 685 CA ARG A 243 15.527 0.373 -2.601 1.00 1.00 C ATOM 686 C ARG A 243 14.555 0.669 -3.746 1.00 1.00 C ATOM 687 O ARG A 243 13.527 0.014 -3.809 1.00 1.00 O ATOM 688 CB ARG A 243 15.524 -1.115 -2.267 1.00 1.00 C ATOM 689 CG ARG A 243 16.961 -1.640 -2.254 1.00 1.00 C ATOM 690 CD ARG A 243 17.306 -2.144 -0.853 1.00 1.00 C ATOM 691 NE ARG A 243 18.711 -2.626 -0.953 1.00 1.00 N ATOM 692 CZ ARG A 243 18.963 -3.906 -0.973 1.00 1.00 C ATOM 693 NH1 ARG A 243 18.070 -4.741 -1.431 1.00 1.00 N ATOM 694 NH2 ARG A 243 20.108 -4.353 -0.533 1.00 1.00 N ATOM 695 OXT ARG A 243 14.854 1.547 -4.540 1.00 0.00 O ATOM 0 H ARG A 243 14.817 0.428 -0.587 1.00 1.00 H new ATOM 0 HA ARG A 243 16.509 0.716 -2.926 1.00 1.00 H new ATOM 0 HB2 ARG A 243 15.057 -1.279 -1.296 1.00 1.00 H new ATOM 0 HB3 ARG A 243 14.933 -1.662 -3.001 1.00 1.00 H new ATOM 0 HG2 ARG A 243 17.072 -2.446 -2.980 1.00 1.00 H new ATOM 0 HG3 ARG A 243 17.651 -0.849 -2.548 1.00 1.00 H new ATOM 0 HD2 ARG A 243 17.213 -1.349 -0.113 1.00 1.00 H new ATOM 0 HD3 ARG A 243 16.635 -2.946 -0.545 1.00 1.00 H new ATOM 0 HE ARG A 243 19.477 -1.955 -1.006 1.00 1.00 H new ATOM 0 HH11 ARG A 243 17.175 -4.393 -1.774 1.00 1.00 H new ATOM 0 HH12 ARG A 243 18.268 -5.742 -1.446 1.00 1.00 H new ATOM 0 HH21 ARG A 243 20.806 -3.702 -0.174 1.00 1.00 H new ATOM 0 HH22 ARG A 243 20.305 -5.354 -0.549 1.00 1.00 H new TER 709 ARG A 243 HETATM 710 ZN ZN A 244 3.515 -2.189 1.766 1.00 1.00 ZN