USER MOD reduce.3.24.130724 H: found=0, std=0, add=346, rem=0, adj=7 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 124:sc= -0.0567! USER MOD Set 1.2: A 222 HIS : no HD1:sc= -2.2! C(o=-2.3!,f=-13!) USER MOD Single : A 199 SER OG : rot 0:sc= 1 USER MOD Single : A 206 ASN : amide:sc= -6.97! C(o=-7!,f=-14!) USER MOD Single : A 210 THR OG1 : rot 180:sc= 0 USER MOD Single : A 212 THR OG1 : rot 80:sc= -1.86! USER MOD Single : A 223 TYR OH : rot 180:sc=-0.00316 USER MOD Single : A 226 ASN : amide:sc= -0.148 K(o=-0.15,f=-2.6!) USER MOD Single : A 231 TYR OH : rot 180:sc= 0 USER MOD Single : A 232 HIS :FLIP no HE2:sc= -1.39 F(o=-3.1!,f=-1.4) USER MOD Single : A 233 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 234 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 235 ASN : amide:sc= 0.496 K(o=0.5,f=-1.8!) USER MOD Single : A 237 GLN : amide:sc= -1.03 X(o=-1,f=-1.2) USER MOD Single : A 238 ASN : amide:sc= -0.0744 K(o=-0.074,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 198 2.166 -17.812 -9.119 1.00 1.00 N ATOM 2 CA GLY A 198 1.602 -17.867 -7.741 1.00 1.00 C ATOM 3 C GLY A 198 1.331 -16.447 -7.243 1.00 1.00 C ATOM 4 O GLY A 198 2.150 -15.561 -7.389 1.00 1.00 O ATOM 0 HA2 GLY A 198 0.679 -18.447 -7.737 1.00 1.00 H new ATOM 0 HA3 GLY A 198 2.299 -18.372 -7.072 1.00 1.00 H new ATOM 10 N SER A 199 0.188 -16.221 -6.655 1.00 1.00 N ATOM 11 CA SER A 199 -0.135 -14.855 -6.150 1.00 1.00 C ATOM 12 C SER A 199 -1.352 -14.911 -5.222 1.00 1.00 C ATOM 13 O SER A 199 -2.273 -14.127 -5.344 1.00 1.00 O ATOM 14 CB SER A 199 -0.450 -14.034 -7.398 1.00 1.00 C ATOM 15 OG SER A 199 0.764 -13.695 -8.056 1.00 1.00 O ATOM 0 H SER A 199 -0.536 -16.923 -6.502 1.00 1.00 H new ATOM 0 HA SER A 199 0.684 -14.422 -5.576 1.00 1.00 H new ATOM 0 HB2 SER A 199 -1.094 -14.603 -8.069 1.00 1.00 H new ATOM 0 HB3 SER A 199 -0.994 -13.130 -7.125 1.00 1.00 H new ATOM 0 HG SER A 199 1.521 -14.070 -7.559 1.00 1.00 H new ATOM 21 N GLU A 200 -1.363 -15.832 -4.299 1.00 1.00 N ATOM 22 CA GLU A 200 -2.522 -15.938 -3.367 1.00 1.00 C ATOM 23 C GLU A 200 -2.879 -14.558 -2.807 1.00 1.00 C ATOM 24 O GLU A 200 -3.893 -13.983 -3.146 1.00 1.00 O ATOM 25 CB GLU A 200 -2.049 -16.873 -2.252 1.00 1.00 C ATOM 26 CG GLU A 200 -3.260 -17.416 -1.492 1.00 1.00 C ATOM 27 CD GLU A 200 -2.899 -18.753 -0.842 1.00 1.00 C ATOM 28 OE1 GLU A 200 -2.592 -19.681 -1.573 1.00 1.00 O ATOM 29 OE2 GLU A 200 -2.933 -18.826 0.375 1.00 1.00 O ATOM 0 H GLU A 200 -0.621 -16.515 -4.149 1.00 1.00 H new ATOM 0 HA GLU A 200 -3.418 -16.317 -3.859 1.00 1.00 H new ATOM 0 HB2 GLU A 200 -1.472 -17.696 -2.674 1.00 1.00 H new ATOM 0 HB3 GLU A 200 -1.389 -16.338 -1.570 1.00 1.00 H new ATOM 0 HG2 GLU A 200 -3.574 -16.703 -0.730 1.00 1.00 H new ATOM 0 HG3 GLU A 200 -4.101 -17.546 -2.173 1.00 1.00 H new ATOM 36 N ALA A 201 -2.049 -14.024 -1.956 1.00 1.00 N ATOM 37 CA ALA A 201 -2.337 -12.681 -1.376 1.00 1.00 C ATOM 38 C ALA A 201 -1.939 -11.584 -2.367 1.00 1.00 C ATOM 39 O ALA A 201 -1.163 -11.806 -3.275 1.00 1.00 O ATOM 40 CB ALA A 201 -1.479 -12.602 -0.112 1.00 1.00 C ATOM 0 H ALA A 201 -1.183 -14.458 -1.636 1.00 1.00 H new ATOM 0 HA ALA A 201 -3.396 -12.543 -1.157 1.00 1.00 H new ATOM 0 HB1 ALA A 201 -1.635 -11.639 0.374 1.00 1.00 H new ATOM 0 HB2 ALA A 201 -1.762 -13.403 0.570 1.00 1.00 H new ATOM 0 HB3 ALA A 201 -0.427 -12.707 -0.379 1.00 1.00 H new ATOM 46 N ARG A 202 -2.460 -10.401 -2.198 1.00 1.00 N ATOM 47 CA ARG A 202 -2.105 -9.292 -3.129 1.00 1.00 C ATOM 48 C ARG A 202 -0.652 -8.865 -2.905 1.00 1.00 C ATOM 49 O ARG A 202 0.022 -9.364 -2.025 1.00 1.00 O ATOM 50 CB ARG A 202 -3.061 -8.154 -2.768 1.00 1.00 C ATOM 51 CG ARG A 202 -4.273 -8.188 -3.701 1.00 1.00 C ATOM 52 CD ARG A 202 -5.384 -9.032 -3.069 1.00 1.00 C ATOM 53 NE ARG A 202 -6.485 -9.033 -4.073 1.00 1.00 N ATOM 54 CZ ARG A 202 -7.309 -10.045 -4.138 1.00 1.00 C ATOM 55 NH1 ARG A 202 -7.432 -10.853 -3.121 1.00 1.00 N ATOM 56 NH2 ARG A 202 -8.010 -10.246 -5.219 1.00 1.00 N ATOM 0 H ARG A 202 -3.115 -10.153 -1.457 1.00 1.00 H new ATOM 0 HA ARG A 202 -2.194 -9.582 -4.176 1.00 1.00 H new ATOM 0 HB2 ARG A 202 -3.384 -8.252 -1.732 1.00 1.00 H new ATOM 0 HB3 ARG A 202 -2.550 -7.195 -2.854 1.00 1.00 H new ATOM 0 HG2 ARG A 202 -4.632 -7.175 -3.885 1.00 1.00 H new ATOM 0 HG3 ARG A 202 -3.990 -8.606 -4.667 1.00 1.00 H new ATOM 0 HD2 ARG A 202 -5.040 -10.045 -2.860 1.00 1.00 H new ATOM 0 HD3 ARG A 202 -5.714 -8.605 -2.122 1.00 1.00 H new ATOM 0 HE ARG A 202 -6.595 -8.244 -4.710 1.00 1.00 H new ATOM 0 HH11 ARG A 202 -6.885 -10.695 -2.275 1.00 1.00 H new ATOM 0 HH12 ARG A 202 -8.075 -11.643 -3.172 1.00 1.00 H new ATOM 0 HH21 ARG A 202 -7.915 -9.613 -6.013 1.00 1.00 H new ATOM 0 HH22 ARG A 202 -8.653 -11.036 -5.270 1.00 1.00 H new ATOM 70 N GLU A 203 -0.163 -7.945 -3.691 1.00 1.00 N ATOM 71 CA GLU A 203 1.245 -7.484 -3.516 1.00 1.00 C ATOM 72 C GLU A 203 1.275 -5.964 -3.346 1.00 1.00 C ATOM 73 O GLU A 203 0.892 -5.223 -4.231 1.00 1.00 O ATOM 74 CB GLU A 203 1.965 -7.899 -4.799 1.00 1.00 C ATOM 75 CG GLU A 203 3.401 -8.307 -4.464 1.00 1.00 C ATOM 76 CD GLU A 203 4.241 -8.313 -5.741 1.00 1.00 C ATOM 77 OE1 GLU A 203 3.937 -9.100 -6.623 1.00 1.00 O ATOM 78 OE2 GLU A 203 5.176 -7.533 -5.816 1.00 1.00 O ATOM 0 H GLU A 203 -0.677 -7.492 -4.447 1.00 1.00 H new ATOM 0 HA GLU A 203 1.718 -7.915 -2.634 1.00 1.00 H new ATOM 0 HB2 GLU A 203 1.440 -8.729 -5.272 1.00 1.00 H new ATOM 0 HB3 GLU A 203 1.966 -7.075 -5.512 1.00 1.00 H new ATOM 0 HG2 GLU A 203 3.827 -7.614 -3.739 1.00 1.00 H new ATOM 0 HG3 GLU A 203 3.412 -9.295 -4.005 1.00 1.00 H new ATOM 85 N CYS A 204 1.722 -5.493 -2.215 1.00 1.00 N ATOM 86 CA CYS A 204 1.769 -4.026 -1.986 1.00 1.00 C ATOM 87 C CYS A 204 2.459 -3.324 -3.152 1.00 1.00 C ATOM 88 O CYS A 204 3.658 -3.423 -3.329 1.00 1.00 O ATOM 89 CB CYS A 204 2.582 -3.856 -0.708 1.00 1.00 C ATOM 90 SG CYS A 204 2.463 -2.146 -0.139 1.00 1.00 S ATOM 0 H CYS A 204 2.057 -6.064 -1.439 1.00 1.00 H new ATOM 0 HA CYS A 204 0.773 -3.592 -1.903 1.00 1.00 H new ATOM 0 HB2 CYS A 204 2.213 -4.533 0.063 1.00 1.00 H new ATOM 0 HB3 CYS A 204 3.624 -4.118 -0.890 1.00 1.00 H new ATOM 95 N VAL A 205 1.716 -2.603 -3.941 1.00 1.00 N ATOM 96 CA VAL A 205 2.328 -1.877 -5.087 1.00 1.00 C ATOM 97 C VAL A 205 3.530 -1.054 -4.604 1.00 1.00 C ATOM 98 O VAL A 205 4.362 -0.637 -5.385 1.00 1.00 O ATOM 99 CB VAL A 205 1.219 -0.959 -5.608 1.00 1.00 C ATOM 100 CG1 VAL A 205 0.781 -0.003 -4.497 1.00 1.00 C ATOM 101 CG2 VAL A 205 1.736 -0.148 -6.796 1.00 1.00 C ATOM 0 H VAL A 205 0.708 -2.484 -3.842 1.00 1.00 H new ATOM 0 HA VAL A 205 2.694 -2.551 -5.861 1.00 1.00 H new ATOM 0 HB VAL A 205 0.371 -1.566 -5.924 1.00 1.00 H new ATOM 0 HG11 VAL A 205 -0.008 0.650 -4.869 1.00 1.00 H new ATOM 0 HG12 VAL A 205 0.407 -0.577 -3.649 1.00 1.00 H new ATOM 0 HG13 VAL A 205 1.632 0.600 -4.180 1.00 1.00 H new ATOM 0 HG21 VAL A 205 0.944 0.504 -7.164 1.00 1.00 H new ATOM 0 HG22 VAL A 205 2.587 0.457 -6.481 1.00 1.00 H new ATOM 0 HG23 VAL A 205 2.047 -0.825 -7.591 1.00 1.00 H new ATOM 111 N ASN A 206 3.615 -0.802 -3.323 1.00 1.00 N ATOM 112 CA ASN A 206 4.747 0.010 -2.795 1.00 1.00 C ATOM 113 C ASN A 206 5.912 -0.869 -2.318 1.00 1.00 C ATOM 114 O ASN A 206 7.028 -0.718 -2.775 1.00 1.00 O ATOM 115 CB ASN A 206 4.154 0.785 -1.619 1.00 1.00 C ATOM 116 CG ASN A 206 3.573 2.109 -2.121 1.00 1.00 C ATOM 117 OD1 ASN A 206 2.436 2.431 -1.840 1.00 1.00 O ATOM 118 ND2 ASN A 206 4.311 2.894 -2.859 1.00 1.00 N ATOM 0 H ASN A 206 2.948 -1.124 -2.621 1.00 1.00 H new ATOM 0 HA ASN A 206 5.161 0.659 -3.567 1.00 1.00 H new ATOM 0 HB2 ASN A 206 3.376 0.194 -1.136 1.00 1.00 H new ATOM 0 HB3 ASN A 206 4.923 0.974 -0.870 1.00 1.00 H new ATOM 0 HD21 ASN A 206 3.933 3.778 -3.200 1.00 1.00 H new ATOM 0 HD22 ASN A 206 5.266 2.623 -3.095 1.00 1.00 H new ATOM 125 N CYS A 207 5.689 -1.761 -1.383 1.00 1.00 N ATOM 126 CA CYS A 207 6.822 -2.587 -0.886 1.00 1.00 C ATOM 127 C CYS A 207 6.619 -4.086 -1.181 1.00 1.00 C ATOM 128 O CYS A 207 7.445 -4.907 -0.834 1.00 1.00 O ATOM 129 CB CYS A 207 6.868 -2.290 0.616 1.00 1.00 C ATOM 130 SG CYS A 207 5.644 -3.275 1.512 1.00 1.00 S ATOM 0 H CYS A 207 4.784 -1.948 -0.951 1.00 1.00 H new ATOM 0 HA CYS A 207 7.762 -2.344 -1.381 1.00 1.00 H new ATOM 0 HB2 CYS A 207 7.865 -2.504 1.002 1.00 1.00 H new ATOM 0 HB3 CYS A 207 6.681 -1.230 0.786 1.00 1.00 H new ATOM 135 N GLY A 208 5.552 -4.448 -1.844 1.00 1.00 N ATOM 136 CA GLY A 208 5.331 -5.890 -2.189 1.00 1.00 C ATOM 137 C GLY A 208 4.898 -6.685 -0.954 1.00 1.00 C ATOM 138 O GLY A 208 4.811 -7.897 -0.983 1.00 1.00 O ATOM 0 H GLY A 208 4.823 -3.810 -2.163 1.00 1.00 H new ATOM 0 HA2 GLY A 208 4.569 -5.970 -2.964 1.00 1.00 H new ATOM 0 HA3 GLY A 208 6.248 -6.315 -2.598 1.00 1.00 H new ATOM 142 N ALA A 209 4.623 -6.018 0.123 1.00 1.00 N ATOM 143 CA ALA A 209 4.190 -6.727 1.359 1.00 1.00 C ATOM 144 C ALA A 209 3.061 -7.710 1.039 1.00 1.00 C ATOM 145 O ALA A 209 1.971 -7.318 0.674 1.00 1.00 O ATOM 146 CB ALA A 209 3.689 -5.616 2.280 1.00 1.00 C ATOM 0 H ALA A 209 4.679 -5.003 0.205 1.00 1.00 H new ATOM 0 HA ALA A 209 4.993 -7.309 1.811 1.00 1.00 H new ATOM 0 HB1 ALA A 209 3.348 -6.049 3.220 1.00 1.00 H new ATOM 0 HB2 ALA A 209 4.499 -4.913 2.477 1.00 1.00 H new ATOM 0 HB3 ALA A 209 2.862 -5.092 1.801 1.00 1.00 H new ATOM 152 N THR A 210 3.309 -8.985 1.171 1.00 1.00 N ATOM 153 CA THR A 210 2.246 -9.987 0.871 1.00 1.00 C ATOM 154 C THR A 210 1.670 -10.557 2.170 1.00 1.00 C ATOM 155 O THR A 210 0.699 -11.288 2.161 1.00 1.00 O ATOM 156 CB THR A 210 2.948 -11.085 0.069 1.00 1.00 C ATOM 157 OG1 THR A 210 3.713 -10.493 -0.971 1.00 1.00 O ATOM 158 CG2 THR A 210 1.904 -12.027 -0.532 1.00 1.00 C ATOM 0 H THR A 210 4.201 -9.376 1.473 1.00 1.00 H new ATOM 0 HA THR A 210 1.413 -9.549 0.321 1.00 1.00 H new ATOM 0 HB THR A 210 3.607 -11.652 0.726 1.00 1.00 H new ATOM 0 HG1 THR A 210 4.165 -11.195 -1.485 1.00 1.00 H new ATOM 0 HG21 THR A 210 2.405 -12.809 -1.103 1.00 1.00 H new ATOM 0 HG22 THR A 210 1.319 -12.480 0.268 1.00 1.00 H new ATOM 0 HG23 THR A 210 1.242 -11.464 -1.190 1.00 1.00 H new ATOM 166 N ALA A 211 2.260 -10.232 3.288 1.00 1.00 N ATOM 167 CA ALA A 211 1.743 -10.757 4.583 1.00 1.00 C ATOM 168 C ALA A 211 1.079 -9.633 5.384 1.00 1.00 C ATOM 169 O ALA A 211 1.468 -9.337 6.497 1.00 1.00 O ATOM 170 CB ALA A 211 2.975 -11.286 5.318 1.00 1.00 C ATOM 0 H ALA A 211 3.077 -9.626 3.360 1.00 1.00 H new ATOM 0 HA ALA A 211 0.990 -11.532 4.442 1.00 1.00 H new ATOM 0 HB1 ALA A 211 2.676 -11.691 6.285 1.00 1.00 H new ATOM 0 HB2 ALA A 211 3.443 -12.071 4.725 1.00 1.00 H new ATOM 0 HB3 ALA A 211 3.685 -10.473 5.469 1.00 1.00 H new ATOM 176 N THR A 212 0.080 -9.003 4.825 1.00 1.00 N ATOM 177 CA THR A 212 -0.607 -7.898 5.555 1.00 1.00 C ATOM 178 C THR A 212 -1.933 -8.395 6.140 1.00 1.00 C ATOM 179 O THR A 212 -2.538 -9.309 5.615 1.00 1.00 O ATOM 180 CB THR A 212 -0.854 -6.820 4.498 1.00 1.00 C ATOM 181 OG1 THR A 212 -1.196 -5.600 5.141 1.00 1.00 O ATOM 182 CG2 THR A 212 -1.997 -7.252 3.576 1.00 1.00 C ATOM 0 H THR A 212 -0.289 -9.205 3.896 1.00 1.00 H new ATOM 0 HA THR A 212 -0.015 -7.521 6.389 1.00 1.00 H new ATOM 0 HB THR A 212 0.050 -6.680 3.906 1.00 1.00 H new ATOM 0 HG1 THR A 212 -0.381 -5.161 5.463 1.00 1.00 H new ATOM 0 HG21 THR A 212 -2.170 -6.481 2.825 1.00 1.00 H new ATOM 0 HG22 THR A 212 -1.733 -8.187 3.082 1.00 1.00 H new ATOM 0 HG23 THR A 212 -2.904 -7.396 4.163 1.00 1.00 H new ATOM 190 N PRO A 213 -2.336 -7.771 7.212 1.00 1.00 N ATOM 191 CA PRO A 213 -3.606 -8.150 7.884 1.00 1.00 C ATOM 192 C PRO A 213 -4.806 -7.677 7.062 1.00 1.00 C ATOM 193 O PRO A 213 -5.909 -8.164 7.219 1.00 1.00 O ATOM 194 CB PRO A 213 -3.538 -7.411 9.216 1.00 1.00 C ATOM 195 CG PRO A 213 -2.628 -6.249 8.972 1.00 1.00 C ATOM 196 CD PRO A 213 -1.658 -6.665 7.895 1.00 1.00 C ATOM 0 HA PRO A 213 -3.724 -9.227 8.003 1.00 1.00 H new ATOM 0 HB2 PRO A 213 -4.526 -7.078 9.533 1.00 1.00 H new ATOM 0 HB3 PRO A 213 -3.151 -8.056 10.005 1.00 1.00 H new ATOM 0 HG2 PRO A 213 -3.197 -5.373 8.661 1.00 1.00 H new ATOM 0 HG3 PRO A 213 -2.097 -5.977 9.884 1.00 1.00 H new ATOM 0 HD2 PRO A 213 -1.446 -5.844 7.210 1.00 1.00 H new ATOM 0 HD3 PRO A 213 -0.705 -6.982 8.318 1.00 1.00 H new ATOM 204 N LEU A 214 -4.604 -6.732 6.187 1.00 1.00 N ATOM 205 CA LEU A 214 -5.736 -6.228 5.357 1.00 1.00 C ATOM 206 C LEU A 214 -5.206 -5.365 4.210 1.00 1.00 C ATOM 207 O LEU A 214 -4.255 -4.625 4.365 1.00 1.00 O ATOM 208 CB LEU A 214 -6.582 -5.389 6.314 1.00 1.00 C ATOM 209 CG LEU A 214 -7.973 -5.179 5.711 1.00 1.00 C ATOM 210 CD1 LEU A 214 -9.032 -5.734 6.665 1.00 1.00 C ATOM 211 CD2 LEU A 214 -8.214 -3.684 5.497 1.00 1.00 C ATOM 0 H LEU A 214 -3.704 -6.286 6.010 1.00 1.00 H new ATOM 0 HA LEU A 214 -6.311 -7.036 4.905 1.00 1.00 H new ATOM 0 HB2 LEU A 214 -6.663 -5.889 7.279 1.00 1.00 H new ATOM 0 HB3 LEU A 214 -6.102 -4.427 6.493 1.00 1.00 H new ATOM 0 HG LEU A 214 -8.037 -5.699 4.755 1.00 1.00 H new ATOM 0 HD11 LEU A 214 -10.023 -5.584 6.236 1.00 1.00 H new ATOM 0 HD12 LEU A 214 -8.860 -6.799 6.819 1.00 1.00 H new ATOM 0 HD13 LEU A 214 -8.969 -5.214 7.621 1.00 1.00 H new ATOM 0 HD21 LEU A 214 -9.204 -3.533 5.068 1.00 1.00 H new ATOM 0 HD22 LEU A 214 -8.150 -3.165 6.453 1.00 1.00 H new ATOM 0 HD23 LEU A 214 -7.460 -3.287 4.818 1.00 1.00 H new ATOM 223 N TRP A 215 -5.810 -5.459 3.057 1.00 1.00 N ATOM 224 CA TRP A 215 -5.338 -4.650 1.900 1.00 1.00 C ATOM 225 C TRP A 215 -6.236 -3.424 1.705 1.00 1.00 C ATOM 226 O TRP A 215 -7.221 -3.245 2.394 1.00 1.00 O ATOM 227 CB TRP A 215 -5.446 -5.590 0.701 1.00 1.00 C ATOM 228 CG TRP A 215 -4.410 -6.662 0.811 1.00 1.00 C ATOM 229 CD1 TRP A 215 -4.570 -7.828 1.476 1.00 1.00 C ATOM 230 CD2 TRP A 215 -3.063 -6.691 0.253 1.00 1.00 C ATOM 231 NE1 TRP A 215 -3.408 -8.570 1.364 1.00 1.00 N ATOM 232 CE2 TRP A 215 -2.451 -7.913 0.619 1.00 1.00 C ATOM 233 CE3 TRP A 215 -2.319 -5.785 -0.528 1.00 1.00 C ATOM 234 CZ2 TRP A 215 -1.151 -8.227 0.226 1.00 1.00 C ATOM 235 CZ3 TRP A 215 -1.009 -6.101 -0.925 1.00 1.00 C ATOM 236 CH2 TRP A 215 -0.427 -7.318 -0.549 1.00 1.00 C ATOM 0 H TRP A 215 -6.611 -6.062 2.867 1.00 1.00 H new ATOM 0 HA TRP A 215 -4.324 -4.276 2.041 1.00 1.00 H new ATOM 0 HB2 TRP A 215 -6.441 -6.034 0.662 1.00 1.00 H new ATOM 0 HB3 TRP A 215 -5.310 -5.032 -0.225 1.00 1.00 H new ATOM 0 HD1 TRP A 215 -5.460 -8.131 2.008 1.00 1.00 H new ATOM 0 HE1 TRP A 215 -3.275 -9.491 1.782 1.00 1.00 H new ATOM 0 HE3 TRP A 215 -2.758 -4.843 -0.823 1.00 1.00 H new ATOM 0 HZ2 TRP A 215 -0.707 -9.167 0.519 1.00 1.00 H new ATOM 0 HZ3 TRP A 215 -0.447 -5.400 -1.524 1.00 1.00 H new ATOM 0 HH2 TRP A 215 0.581 -7.554 -0.858 1.00 1.00 H new ATOM 247 N ARG A 216 -5.902 -2.580 0.767 1.00 1.00 N ATOM 248 CA ARG A 216 -6.732 -1.365 0.521 1.00 1.00 C ATOM 249 C ARG A 216 -6.312 -0.700 -0.791 1.00 1.00 C ATOM 250 O ARG A 216 -5.141 -0.507 -1.053 1.00 1.00 O ATOM 251 CB ARG A 216 -6.446 -0.441 1.703 1.00 1.00 C ATOM 252 CG ARG A 216 -7.578 0.578 1.837 1.00 1.00 C ATOM 253 CD ARG A 216 -8.766 -0.074 2.548 1.00 1.00 C ATOM 254 NE ARG A 216 -9.574 1.065 3.066 1.00 1.00 N ATOM 255 CZ ARG A 216 -10.828 1.180 2.726 1.00 1.00 C ATOM 256 NH1 ARG A 216 -11.632 0.158 2.843 1.00 1.00 N ATOM 257 NH2 ARG A 216 -11.278 2.316 2.271 1.00 1.00 N ATOM 0 H ARG A 216 -5.089 -2.679 0.159 1.00 1.00 H new ATOM 0 HA ARG A 216 -7.793 -1.600 0.436 1.00 1.00 H new ATOM 0 HB2 ARG A 216 -6.355 -1.023 2.620 1.00 1.00 H new ATOM 0 HB3 ARG A 216 -5.496 0.072 1.556 1.00 1.00 H new ATOM 0 HG2 ARG A 216 -7.236 1.447 2.399 1.00 1.00 H new ATOM 0 HG3 ARG A 216 -7.880 0.934 0.852 1.00 1.00 H new ATOM 0 HD2 ARG A 216 -9.347 -0.691 1.862 1.00 1.00 H new ATOM 0 HD3 ARG A 216 -8.434 -0.724 3.358 1.00 1.00 H new ATOM 0 HE ARG A 216 -9.147 1.754 3.686 1.00 1.00 H new ATOM 0 HH11 ARG A 216 -11.279 -0.730 3.200 1.00 1.00 H new ATOM 0 HH12 ARG A 216 -12.613 0.248 2.577 1.00 1.00 H new ATOM 0 HH21 ARG A 216 -10.649 3.114 2.181 1.00 1.00 H new ATOM 0 HH22 ARG A 216 -12.259 2.406 2.005 1.00 1.00 H new ATOM 271 N ARG A 217 -7.256 -0.351 -1.623 1.00 1.00 N ATOM 272 CA ARG A 217 -6.901 0.293 -2.915 1.00 1.00 C ATOM 273 C ARG A 217 -6.869 1.815 -2.766 1.00 1.00 C ATOM 274 O ARG A 217 -7.354 2.370 -1.800 1.00 1.00 O ATOM 275 CB ARG A 217 -8.003 -0.132 -3.882 1.00 1.00 C ATOM 276 CG ARG A 217 -8.214 -1.644 -3.782 1.00 1.00 C ATOM 277 CD ARG A 217 -9.448 -2.043 -4.597 1.00 1.00 C ATOM 278 NE ARG A 217 -8.925 -2.372 -5.952 1.00 1.00 N ATOM 279 CZ ARG A 217 -9.696 -2.964 -6.823 1.00 1.00 C ATOM 280 NH1 ARG A 217 -10.989 -2.802 -6.765 1.00 1.00 N ATOM 281 NH2 ARG A 217 -9.175 -3.719 -7.750 1.00 1.00 N ATOM 0 H ARG A 217 -8.254 -0.485 -1.462 1.00 1.00 H new ATOM 0 HA ARG A 217 -5.913 -0.005 -3.265 1.00 1.00 H new ATOM 0 HB2 ARG A 217 -8.930 0.392 -3.647 1.00 1.00 H new ATOM 0 HB3 ARG A 217 -7.732 0.142 -4.902 1.00 1.00 H new ATOM 0 HG2 ARG A 217 -7.334 -2.170 -4.153 1.00 1.00 H new ATOM 0 HG3 ARG A 217 -8.344 -1.936 -2.740 1.00 1.00 H new ATOM 0 HD2 ARG A 217 -9.956 -2.899 -4.151 1.00 1.00 H new ATOM 0 HD3 ARG A 217 -10.172 -1.230 -4.640 1.00 1.00 H new ATOM 0 HE ARG A 217 -7.964 -2.135 -6.199 1.00 1.00 H new ATOM 0 HH11 ARG A 217 -11.397 -2.213 -6.039 1.00 1.00 H new ATOM 0 HH12 ARG A 217 -11.592 -3.264 -7.445 1.00 1.00 H new ATOM 0 HH21 ARG A 217 -8.164 -3.847 -7.795 1.00 1.00 H new ATOM 0 HH22 ARG A 217 -9.778 -4.181 -8.430 1.00 1.00 H new ATOM 295 N ASP A 218 -6.286 2.493 -3.717 1.00 1.00 N ATOM 296 CA ASP A 218 -6.200 3.973 -3.642 1.00 1.00 C ATOM 297 C ASP A 218 -6.615 4.598 -4.977 1.00 1.00 C ATOM 298 O ASP A 218 -7.280 3.981 -5.785 1.00 1.00 O ATOM 299 CB ASP A 218 -4.724 4.253 -3.355 1.00 1.00 C ATOM 300 CG ASP A 218 -3.846 3.366 -4.241 1.00 1.00 C ATOM 301 OD1 ASP A 218 -4.210 3.164 -5.388 1.00 1.00 O ATOM 302 OD2 ASP A 218 -2.825 2.906 -3.757 1.00 1.00 O ATOM 0 H ASP A 218 -5.863 2.079 -4.548 1.00 1.00 H new ATOM 0 HA ASP A 218 -6.858 4.393 -2.882 1.00 1.00 H new ATOM 0 HB2 ASP A 218 -4.501 5.303 -3.542 1.00 1.00 H new ATOM 0 HB3 ASP A 218 -4.506 4.062 -2.304 1.00 1.00 H new ATOM 307 N ARG A 219 -6.224 5.822 -5.213 1.00 1.00 N ATOM 308 CA ARG A 219 -6.589 6.499 -6.491 1.00 1.00 C ATOM 309 C ARG A 219 -6.175 5.653 -7.697 1.00 1.00 C ATOM 310 O ARG A 219 -6.830 5.654 -8.720 1.00 1.00 O ATOM 311 CB ARG A 219 -5.792 7.803 -6.479 1.00 1.00 C ATOM 312 CG ARG A 219 -6.724 8.974 -6.173 1.00 1.00 C ATOM 313 CD ARG A 219 -6.417 9.524 -4.779 1.00 1.00 C ATOM 314 NE ARG A 219 -7.664 10.215 -4.352 1.00 1.00 N ATOM 315 CZ ARG A 219 -7.756 11.514 -4.449 1.00 1.00 C ATOM 316 NH1 ARG A 219 -7.748 12.082 -5.624 1.00 1.00 N ATOM 317 NH2 ARG A 219 -7.856 12.244 -3.372 1.00 1.00 N ATOM 0 H ARG A 219 -5.665 6.385 -4.572 1.00 1.00 H new ATOM 0 HA ARG A 219 -7.664 6.658 -6.570 1.00 1.00 H new ATOM 0 HB2 ARG A 219 -5.001 7.750 -5.731 1.00 1.00 H new ATOM 0 HB3 ARG A 219 -5.308 7.953 -7.444 1.00 1.00 H new ATOM 0 HG2 ARG A 219 -6.597 9.758 -6.920 1.00 1.00 H new ATOM 0 HG3 ARG A 219 -7.763 8.648 -6.226 1.00 1.00 H new ATOM 0 HD2 ARG A 219 -6.154 8.723 -4.088 1.00 1.00 H new ATOM 0 HD3 ARG A 219 -5.573 10.213 -4.804 1.00 1.00 H new ATOM 0 HE ARG A 219 -8.446 9.674 -3.984 1.00 1.00 H new ATOM 0 HH11 ARG A 219 -7.670 11.511 -6.466 1.00 1.00 H new ATOM 0 HH12 ARG A 219 -7.820 13.097 -5.700 1.00 1.00 H new ATOM 0 HH21 ARG A 219 -7.862 11.800 -2.454 1.00 1.00 H new ATOM 0 HH22 ARG A 219 -7.928 13.259 -3.448 1.00 1.00 H new ATOM 331 N THR A 220 -5.082 4.949 -7.594 1.00 1.00 N ATOM 332 CA THR A 220 -4.617 4.128 -8.749 1.00 1.00 C ATOM 333 C THR A 220 -5.090 2.676 -8.620 1.00 1.00 C ATOM 334 O THR A 220 -4.521 1.774 -9.204 1.00 1.00 O ATOM 335 CB THR A 220 -3.093 4.211 -8.689 1.00 1.00 C ATOM 336 OG1 THR A 220 -2.643 3.698 -7.443 1.00 1.00 O ATOM 337 CG2 THR A 220 -2.660 5.672 -8.826 1.00 1.00 C ATOM 0 H THR A 220 -4.492 4.906 -6.763 1.00 1.00 H new ATOM 0 HA THR A 220 -5.015 4.490 -9.697 1.00 1.00 H new ATOM 0 HB THR A 220 -2.661 3.626 -9.501 1.00 1.00 H new ATOM 0 HG1 THR A 220 -2.000 2.975 -7.600 1.00 1.00 H new ATOM 0 HG21 THR A 220 -1.573 5.735 -8.784 1.00 1.00 H new ATOM 0 HG22 THR A 220 -3.009 6.067 -9.780 1.00 1.00 H new ATOM 0 HG23 THR A 220 -3.089 6.257 -8.012 1.00 1.00 H new ATOM 345 N GLY A 221 -6.131 2.442 -7.869 1.00 1.00 N ATOM 346 CA GLY A 221 -6.643 1.050 -7.716 1.00 1.00 C ATOM 347 C GLY A 221 -5.484 0.089 -7.436 1.00 1.00 C ATOM 348 O GLY A 221 -5.287 -0.882 -8.140 1.00 1.00 O ATOM 0 H GLY A 221 -6.649 3.154 -7.355 1.00 1.00 H new ATOM 0 HA2 GLY A 221 -7.365 1.008 -6.901 1.00 1.00 H new ATOM 0 HA3 GLY A 221 -7.167 0.746 -8.622 1.00 1.00 H new ATOM 352 N HIS A 222 -4.722 0.342 -6.407 1.00 1.00 N ATOM 353 CA HIS A 222 -3.587 -0.569 -6.075 1.00 1.00 C ATOM 354 C HIS A 222 -3.919 -1.367 -4.813 1.00 1.00 C ATOM 355 O HIS A 222 -5.066 -1.504 -4.443 1.00 1.00 O ATOM 356 CB HIS A 222 -2.388 0.353 -5.838 1.00 1.00 C ATOM 357 CG HIS A 222 -1.650 0.558 -7.133 1.00 1.00 C ATOM 358 ND1 HIS A 222 -1.150 1.795 -7.512 1.00 1.00 N ATOM 359 CD2 HIS A 222 -1.315 -0.306 -8.147 1.00 1.00 C ATOM 360 CE1 HIS A 222 -0.546 1.641 -8.704 1.00 1.00 C ATOM 361 NE2 HIS A 222 -0.618 0.380 -9.137 1.00 1.00 N ATOM 0 H HIS A 222 -4.835 1.140 -5.781 1.00 1.00 H new ATOM 0 HA HIS A 222 -3.384 -1.291 -6.866 1.00 1.00 H new ATOM 0 HB2 HIS A 222 -2.725 1.312 -5.443 1.00 1.00 H new ATOM 0 HB3 HIS A 222 -1.722 -0.082 -5.093 1.00 1.00 H new ATOM 0 HD2 HIS A 222 -1.556 -1.358 -8.172 1.00 1.00 H new ATOM 0 HE1 HIS A 222 -0.062 2.440 -9.245 1.00 1.00 H new ATOM 0 HE2 HIS A 222 -0.243 0.001 -10.006 1.00 1.00 H new ATOM 369 N TYR A 223 -2.932 -1.905 -4.154 1.00 1.00 N ATOM 370 CA TYR A 223 -3.206 -2.695 -2.924 1.00 1.00 C ATOM 371 C TYR A 223 -2.042 -2.586 -1.937 1.00 1.00 C ATOM 372 O TYR A 223 -1.294 -3.520 -1.748 1.00 1.00 O ATOM 373 CB TYR A 223 -3.352 -4.129 -3.418 1.00 1.00 C ATOM 374 CG TYR A 223 -4.803 -4.406 -3.722 1.00 1.00 C ATOM 375 CD1 TYR A 223 -5.762 -4.258 -2.714 1.00 1.00 C ATOM 376 CD2 TYR A 223 -5.190 -4.807 -5.005 1.00 1.00 C ATOM 377 CE1 TYR A 223 -7.111 -4.514 -2.988 1.00 1.00 C ATOM 378 CE2 TYR A 223 -6.540 -5.061 -5.280 1.00 1.00 C ATOM 379 CZ TYR A 223 -7.499 -4.914 -4.272 1.00 1.00 C ATOM 380 OH TYR A 223 -8.829 -5.163 -4.541 1.00 1.00 O ATOM 0 H TYR A 223 -1.948 -1.832 -4.414 1.00 1.00 H new ATOM 0 HA TYR A 223 -4.092 -2.342 -2.396 1.00 1.00 H new ATOM 0 HB2 TYR A 223 -2.746 -4.282 -4.311 1.00 1.00 H new ATOM 0 HB3 TYR A 223 -2.987 -4.825 -2.662 1.00 1.00 H new ATOM 0 HD1 TYR A 223 -5.462 -3.946 -1.725 1.00 1.00 H new ATOM 0 HD2 TYR A 223 -4.449 -4.921 -5.783 1.00 1.00 H new ATOM 0 HE1 TYR A 223 -7.851 -4.403 -2.210 1.00 1.00 H new ATOM 0 HE2 TYR A 223 -6.840 -5.370 -6.270 1.00 1.00 H new ATOM 0 HH TYR A 223 -8.929 -5.430 -5.479 1.00 1.00 H new ATOM 390 N LEU A 224 -1.883 -1.457 -1.302 1.00 1.00 N ATOM 391 CA LEU A 224 -0.763 -1.307 -0.327 1.00 1.00 C ATOM 392 C LEU A 224 -0.900 -2.335 0.801 1.00 1.00 C ATOM 393 O LEU A 224 -1.840 -3.105 0.841 1.00 1.00 O ATOM 394 CB LEU A 224 -0.894 0.114 0.223 1.00 1.00 C ATOM 395 CG LEU A 224 0.262 0.969 -0.294 1.00 1.00 C ATOM 396 CD1 LEU A 224 0.311 0.891 -1.820 1.00 1.00 C ATOM 397 CD2 LEU A 224 0.051 2.424 0.135 1.00 1.00 C ATOM 0 H LEU A 224 -2.476 -0.635 -1.414 1.00 1.00 H new ATOM 0 HA LEU A 224 0.209 -1.473 -0.792 1.00 1.00 H new ATOM 0 HB2 LEU A 224 -1.846 0.547 -0.083 1.00 1.00 H new ATOM 0 HB3 LEU A 224 -0.888 0.096 1.313 1.00 1.00 H new ATOM 0 HG LEU A 224 1.201 0.600 0.119 1.00 1.00 H new ATOM 0 HD11 LEU A 224 1.136 1.501 -2.189 1.00 1.00 H new ATOM 0 HD12 LEU A 224 0.460 -0.144 -2.127 1.00 1.00 H new ATOM 0 HD13 LEU A 224 -0.627 1.261 -2.234 1.00 1.00 H new ATOM 0 HD21 LEU A 224 0.875 3.035 -0.233 1.00 1.00 H new ATOM 0 HD22 LEU A 224 -0.887 2.793 -0.279 1.00 1.00 H new ATOM 0 HD23 LEU A 224 0.015 2.481 1.223 1.00 1.00 H new ATOM 409 N CYS A 225 0.031 -2.355 1.717 1.00 1.00 N ATOM 410 CA CYS A 225 -0.049 -3.335 2.841 1.00 1.00 C ATOM 411 C CYS A 225 -0.381 -2.615 4.153 1.00 1.00 C ATOM 412 O CYS A 225 0.146 -2.937 5.199 1.00 1.00 O ATOM 413 CB CYS A 225 1.343 -3.968 2.914 1.00 1.00 C ATOM 414 SG CYS A 225 2.530 -2.761 3.553 1.00 1.00 S ATOM 0 H CYS A 225 0.842 -1.737 1.736 1.00 1.00 H new ATOM 0 HA CYS A 225 -0.829 -4.080 2.683 1.00 1.00 H new ATOM 0 HB2 CYS A 225 1.320 -4.846 3.559 1.00 1.00 H new ATOM 0 HB3 CYS A 225 1.651 -4.307 1.925 1.00 1.00 H new ATOM 419 N ASN A 226 -1.254 -1.645 4.106 1.00 1.00 N ATOM 420 CA ASN A 226 -1.623 -0.905 5.351 1.00 1.00 C ATOM 421 C ASN A 226 -0.446 -0.049 5.831 1.00 1.00 C ATOM 422 O ASN A 226 -0.552 1.157 5.949 1.00 1.00 O ATOM 423 CB ASN A 226 -1.950 -1.988 6.383 1.00 1.00 C ATOM 424 CG ASN A 226 -2.888 -1.413 7.448 1.00 1.00 C ATOM 425 OD1 ASN A 226 -3.546 -0.418 7.219 1.00 1.00 O ATOM 426 ND2 ASN A 226 -2.977 -2.002 8.608 1.00 1.00 N ATOM 0 H ASN A 226 -1.729 -1.332 3.259 1.00 1.00 H new ATOM 0 HA ASN A 226 -2.463 -0.230 5.189 1.00 1.00 H new ATOM 0 HB2 ASN A 226 -2.418 -2.842 5.894 1.00 1.00 H new ATOM 0 HB3 ASN A 226 -1.033 -2.351 6.848 1.00 1.00 H new ATOM 0 HD21 ASN A 226 -3.600 -1.627 9.324 1.00 1.00 H new ATOM 0 HD22 ASN A 226 -2.424 -2.838 8.799 1.00 1.00 H new ATOM 433 N ALA A 227 0.672 -0.661 6.114 1.00 1.00 N ATOM 434 CA ALA A 227 1.849 0.120 6.592 1.00 1.00 C ATOM 435 C ALA A 227 2.209 1.218 5.588 1.00 1.00 C ATOM 436 O ALA A 227 2.483 2.343 5.955 1.00 1.00 O ATOM 437 CB ALA A 227 2.986 -0.897 6.700 1.00 1.00 C ATOM 0 H ALA A 227 0.821 -1.667 6.035 1.00 1.00 H new ATOM 0 HA ALA A 227 1.650 0.615 7.543 1.00 1.00 H new ATOM 0 HB1 ALA A 227 3.890 -0.397 7.047 1.00 1.00 H new ATOM 0 HB2 ALA A 227 2.709 -1.678 7.408 1.00 1.00 H new ATOM 0 HB3 ALA A 227 3.170 -1.342 5.722 1.00 1.00 H new ATOM 443 N CYS A 228 2.208 0.900 4.326 1.00 1.00 N ATOM 444 CA CYS A 228 2.550 1.926 3.300 1.00 1.00 C ATOM 445 C CYS A 228 1.402 2.926 3.149 1.00 1.00 C ATOM 446 O CYS A 228 1.614 4.101 2.928 1.00 1.00 O ATOM 447 CB CYS A 228 2.754 1.146 2.011 1.00 1.00 C ATOM 448 SG CYS A 228 4.301 0.207 2.104 1.00 1.00 S ATOM 0 H CYS A 228 1.986 -0.025 3.958 1.00 1.00 H new ATOM 0 HA CYS A 228 3.436 2.500 3.571 1.00 1.00 H new ATOM 0 HB2 CYS A 228 1.916 0.469 1.848 1.00 1.00 H new ATOM 0 HB3 CYS A 228 2.782 1.829 1.162 1.00 1.00 H new ATOM 453 N GLY A 229 0.186 2.468 3.268 1.00 1.00 N ATOM 454 CA GLY A 229 -0.977 3.390 3.130 1.00 1.00 C ATOM 455 C GLY A 229 -0.955 4.417 4.264 1.00 1.00 C ATOM 456 O GLY A 229 -1.546 5.474 4.167 1.00 1.00 O ATOM 0 H GLY A 229 -0.053 1.494 3.455 1.00 1.00 H new ATOM 0 HA2 GLY A 229 -0.940 3.897 2.166 1.00 1.00 H new ATOM 0 HA3 GLY A 229 -1.908 2.824 3.157 1.00 1.00 H new ATOM 460 N LEU A 230 -0.279 4.117 5.340 1.00 1.00 N ATOM 461 CA LEU A 230 -0.222 5.079 6.476 1.00 1.00 C ATOM 462 C LEU A 230 -0.014 6.503 5.955 1.00 1.00 C ATOM 463 O LEU A 230 -0.793 7.394 6.226 1.00 1.00 O ATOM 464 CB LEU A 230 0.972 4.639 7.313 1.00 1.00 C ATOM 465 CG LEU A 230 0.644 4.800 8.797 1.00 1.00 C ATOM 466 CD1 LEU A 230 0.443 6.282 9.118 1.00 1.00 C ATOM 467 CD2 LEU A 230 -0.639 4.030 9.124 1.00 1.00 C ATOM 0 H LEU A 230 0.236 3.248 5.481 1.00 1.00 H new ATOM 0 HA LEU A 230 -1.145 5.083 7.056 1.00 1.00 H new ATOM 0 HB2 LEU A 230 1.219 3.600 7.095 1.00 1.00 H new ATOM 0 HB3 LEU A 230 1.848 5.235 7.057 1.00 1.00 H new ATOM 0 HG LEU A 230 1.467 4.407 9.394 1.00 1.00 H new ATOM 0 HD11 LEU A 230 0.209 6.397 10.176 1.00 1.00 H new ATOM 0 HD12 LEU A 230 1.355 6.831 8.887 1.00 1.00 H new ATOM 0 HD13 LEU A 230 -0.379 6.676 8.520 1.00 1.00 H new ATOM 0 HD21 LEU A 230 -0.873 4.145 10.182 1.00 1.00 H new ATOM 0 HD22 LEU A 230 -1.461 4.423 8.526 1.00 1.00 H new ATOM 0 HD23 LEU A 230 -0.497 2.973 8.896 1.00 1.00 H new ATOM 479 N TYR A 231 1.032 6.722 5.207 1.00 1.00 N ATOM 480 CA TYR A 231 1.288 8.087 4.667 1.00 1.00 C ATOM 481 C TYR A 231 0.021 8.632 4.000 1.00 1.00 C ATOM 482 O TYR A 231 -0.401 9.742 4.258 1.00 1.00 O ATOM 483 CB TYR A 231 2.402 7.902 3.638 1.00 1.00 C ATOM 484 CG TYR A 231 3.229 9.162 3.556 1.00 1.00 C ATOM 485 CD1 TYR A 231 4.336 9.329 4.396 1.00 1.00 C ATOM 486 CD2 TYR A 231 2.889 10.162 2.639 1.00 1.00 C ATOM 487 CE1 TYR A 231 5.103 10.498 4.320 1.00 1.00 C ATOM 488 CE2 TYR A 231 3.655 11.331 2.563 1.00 1.00 C ATOM 489 CZ TYR A 231 4.763 11.499 3.403 1.00 1.00 C ATOM 490 OH TYR A 231 5.519 12.651 3.326 1.00 1.00 O ATOM 0 H TYR A 231 1.720 6.015 4.946 1.00 1.00 H new ATOM 0 HA TYR A 231 1.569 8.797 5.445 1.00 1.00 H new ATOM 0 HB2 TYR A 231 3.033 7.058 3.918 1.00 1.00 H new ATOM 0 HB3 TYR A 231 1.975 7.671 2.662 1.00 1.00 H new ATOM 0 HD1 TYR A 231 4.599 8.556 5.103 1.00 1.00 H new ATOM 0 HD2 TYR A 231 2.036 10.032 1.990 1.00 1.00 H new ATOM 0 HE1 TYR A 231 5.957 10.627 4.969 1.00 1.00 H new ATOM 0 HE2 TYR A 231 3.391 12.104 1.856 1.00 1.00 H new ATOM 0 HH TYR A 231 5.147 13.241 2.638 1.00 1.00 H new ATOM 500 N HIS A 232 -0.587 7.858 3.143 1.00 1.00 N ATOM 501 CA HIS A 232 -1.826 8.327 2.460 1.00 1.00 C ATOM 502 C HIS A 232 -2.938 8.564 3.485 1.00 1.00 C ATOM 503 O HIS A 232 -3.833 9.356 3.274 1.00 1.00 O ATOM 504 CB HIS A 232 -2.206 7.193 1.509 1.00 1.00 C ATOM 505 CG HIS A 232 -3.076 7.731 0.405 1.00 1.00 C ATOM 506 ND1 HIS A 232 -2.790 8.507 -0.691 1.00 1.00 N flip ATOM 507 CD2 HIS A 232 -4.437 7.481 0.346 1.00 1.00 C flip ATOM 508 CE1 HIS A 232 -3.954 8.735 -1.421 1.00 1.00 C flip ATOM 509 NE2 HIS A 232 -4.916 8.094 -0.752 1.00 1.00 N flip ATOM 0 H HIS A 232 -0.279 6.920 2.886 1.00 1.00 H new ATOM 0 HA HIS A 232 -1.676 9.269 1.932 1.00 1.00 H new ATOM 0 HB2 HIS A 232 -1.308 6.740 1.090 1.00 1.00 H new ATOM 0 HB3 HIS A 232 -2.734 6.410 2.053 1.00 1.00 H new ATOM 0 HD1 HIS A 232 -1.865 8.863 -0.934 1.00 1.00 H new ATOM 0 HD2 HIS A 232 -5.010 6.899 1.053 1.00 1.00 H new ATOM 0 HE1 HIS A 232 -4.057 9.307 -2.332 1.00 1.00 H new ATOM 517 N LYS A 233 -2.889 7.878 4.595 1.00 1.00 N ATOM 518 CA LYS A 233 -3.945 8.058 5.633 1.00 1.00 C ATOM 519 C LYS A 233 -3.737 9.379 6.383 1.00 1.00 C ATOM 520 O LYS A 233 -4.680 10.039 6.765 1.00 1.00 O ATOM 521 CB LYS A 233 -3.772 6.872 6.581 1.00 1.00 C ATOM 522 CG LYS A 233 -3.911 5.566 5.797 1.00 1.00 C ATOM 523 CD LYS A 233 -5.155 4.814 6.273 1.00 1.00 C ATOM 524 CE LYS A 233 -4.802 3.964 7.496 1.00 1.00 C ATOM 525 NZ LYS A 233 -5.786 4.362 8.540 1.00 1.00 N ATOM 0 H LYS A 233 -2.163 7.200 4.828 1.00 1.00 H new ATOM 0 HA LYS A 233 -4.945 8.095 5.201 1.00 1.00 H new ATOM 0 HB2 LYS A 233 -2.795 6.917 7.062 1.00 1.00 H new ATOM 0 HB3 LYS A 233 -4.520 6.914 7.373 1.00 1.00 H new ATOM 0 HG2 LYS A 233 -3.986 5.776 4.730 1.00 1.00 H new ATOM 0 HG3 LYS A 233 -3.024 4.949 5.938 1.00 1.00 H new ATOM 0 HD2 LYS A 233 -5.946 5.521 6.524 1.00 1.00 H new ATOM 0 HD3 LYS A 233 -5.537 4.179 5.474 1.00 1.00 H new ATOM 0 HE2 LYS A 233 -4.874 2.900 7.271 1.00 1.00 H new ATOM 0 HE3 LYS A 233 -3.780 4.152 7.825 1.00 1.00 H new ATOM 0 HZ1 LYS A 233 -5.607 3.821 9.410 1.00 1.00 H new ATOM 0 HZ2 LYS A 233 -5.689 5.378 8.739 1.00 1.00 H new ATOM 0 HZ3 LYS A 233 -6.750 4.165 8.202 1.00 1.00 H new ATOM 539 N MET A 234 -2.509 9.762 6.601 1.00 1.00 N ATOM 540 CA MET A 234 -2.245 11.032 7.333 1.00 1.00 C ATOM 541 C MET A 234 -1.885 12.151 6.353 1.00 1.00 C ATOM 542 O MET A 234 -2.602 13.119 6.206 1.00 1.00 O ATOM 543 CB MET A 234 -1.063 10.718 8.249 1.00 1.00 C ATOM 544 CG MET A 234 -1.558 9.963 9.483 1.00 1.00 C ATOM 545 SD MET A 234 -0.751 10.625 10.962 1.00 1.00 S ATOM 546 CE MET A 234 -2.145 10.414 12.097 1.00 1.00 C ATOM 0 H MET A 234 -1.678 9.251 6.304 1.00 1.00 H new ATOM 0 HA MET A 234 -3.116 11.375 7.891 1.00 1.00 H new ATOM 0 HB2 MET A 234 -0.325 10.119 7.715 1.00 1.00 H new ATOM 0 HB3 MET A 234 -0.567 11.641 8.549 1.00 1.00 H new ATOM 0 HG2 MET A 234 -2.640 10.060 9.572 1.00 1.00 H new ATOM 0 HG3 MET A 234 -1.341 8.900 9.383 1.00 1.00 H new ATOM 0 HE1 MET A 234 -1.863 10.766 13.089 1.00 1.00 H new ATOM 0 HE2 MET A 234 -2.998 10.990 11.737 1.00 1.00 H new ATOM 0 HE3 MET A 234 -2.415 9.359 12.149 1.00 1.00 H new ATOM 556 N ASN A 235 -0.773 12.023 5.689 1.00 1.00 N ATOM 557 CA ASN A 235 -0.356 13.079 4.720 1.00 1.00 C ATOM 558 C ASN A 235 -1.254 13.055 3.480 1.00 1.00 C ATOM 559 O ASN A 235 -1.478 14.067 2.845 1.00 1.00 O ATOM 560 CB ASN A 235 1.083 12.723 4.346 1.00 1.00 C ATOM 561 CG ASN A 235 2.044 13.364 5.348 1.00 1.00 C ATOM 562 OD1 ASN A 235 1.784 14.436 5.858 1.00 1.00 O ATOM 563 ND2 ASN A 235 3.154 12.748 5.655 1.00 1.00 N ATOM 0 H ASN A 235 -0.132 11.234 5.773 1.00 1.00 H new ATOM 0 HA ASN A 235 -0.435 14.080 5.144 1.00 1.00 H new ATOM 0 HB2 ASN A 235 1.212 11.641 4.343 1.00 1.00 H new ATOM 0 HB3 ASN A 235 1.305 13.073 3.338 1.00 1.00 H new ATOM 0 HD21 ASN A 235 3.802 13.167 6.322 1.00 1.00 H new ATOM 0 HD22 ASN A 235 3.373 11.848 5.227 1.00 1.00 H new ATOM 570 N GLY A 236 -1.772 11.911 3.134 1.00 1.00 N ATOM 571 CA GLY A 236 -2.655 11.822 1.942 1.00 1.00 C ATOM 572 C GLY A 236 -1.819 11.496 0.703 1.00 1.00 C ATOM 573 O GLY A 236 -2.325 11.004 -0.286 1.00 1.00 O ATOM 0 H GLY A 236 -1.621 11.031 3.628 1.00 1.00 H new ATOM 0 HA2 GLY A 236 -3.411 11.052 2.095 1.00 1.00 H new ATOM 0 HA3 GLY A 236 -3.184 12.764 1.798 1.00 1.00 H new ATOM 577 N GLN A 237 -0.543 11.764 0.746 1.00 1.00 N ATOM 578 CA GLN A 237 0.320 11.465 -0.432 1.00 1.00 C ATOM 579 C GLN A 237 0.660 9.972 -0.469 1.00 1.00 C ATOM 580 O GLN A 237 0.070 9.175 0.233 1.00 1.00 O ATOM 581 CB GLN A 237 1.585 12.298 -0.221 1.00 1.00 C ATOM 582 CG GLN A 237 1.386 13.691 -0.823 1.00 1.00 C ATOM 583 CD GLN A 237 0.267 14.415 -0.074 1.00 1.00 C ATOM 584 OE1 GLN A 237 0.398 14.715 1.095 1.00 1.00 O ATOM 585 NE2 GLN A 237 -0.838 14.709 -0.703 1.00 1.00 N ATOM 0 H GLN A 237 -0.061 12.177 1.545 1.00 1.00 H new ATOM 0 HA GLN A 237 -0.171 11.704 -1.375 1.00 1.00 H new ATOM 0 HB2 GLN A 237 1.807 12.379 0.843 1.00 1.00 H new ATOM 0 HB3 GLN A 237 2.439 11.807 -0.688 1.00 1.00 H new ATOM 0 HG2 GLN A 237 2.312 14.263 -0.757 1.00 1.00 H new ATOM 0 HG3 GLN A 237 1.136 13.609 -1.881 1.00 1.00 H new ATOM 0 HE21 GLN A 237 -0.948 14.457 -1.685 1.00 1.00 H new ATOM 0 HE22 GLN A 237 -1.591 15.191 -0.212 1.00 1.00 H new ATOM 594 N ASN A 238 1.606 9.589 -1.282 1.00 1.00 N ATOM 595 CA ASN A 238 1.980 8.147 -1.358 1.00 1.00 C ATOM 596 C ASN A 238 3.051 7.826 -0.312 1.00 1.00 C ATOM 597 O ASN A 238 3.297 8.598 0.594 1.00 1.00 O ATOM 598 CB ASN A 238 2.534 7.955 -2.770 1.00 1.00 C ATOM 599 CG ASN A 238 1.378 7.878 -3.768 1.00 1.00 C ATOM 600 OD1 ASN A 238 0.258 7.590 -3.396 1.00 1.00 O ATOM 601 ND2 ASN A 238 1.604 8.127 -5.030 1.00 1.00 N ATOM 0 H ASN A 238 2.135 10.209 -1.895 1.00 1.00 H new ATOM 0 HA ASN A 238 1.134 7.488 -1.160 1.00 1.00 H new ATOM 0 HB2 ASN A 238 3.196 8.782 -3.028 1.00 1.00 H new ATOM 0 HB3 ASN A 238 3.130 7.043 -2.817 1.00 1.00 H new ATOM 0 HD21 ASN A 238 0.840 8.080 -5.704 1.00 1.00 H new ATOM 0 HD22 ASN A 238 2.545 8.369 -5.342 1.00 1.00 H new ATOM 608 N ARG A 239 3.690 6.696 -0.430 1.00 1.00 N ATOM 609 CA ARG A 239 4.746 6.332 0.560 1.00 1.00 C ATOM 610 C ARG A 239 6.014 5.873 -0.165 1.00 1.00 C ATOM 611 O ARG A 239 6.011 4.866 -0.844 1.00 1.00 O ATOM 612 CB ARG A 239 4.148 5.181 1.370 1.00 1.00 C ATOM 613 CG ARG A 239 5.206 4.631 2.329 1.00 1.00 C ATOM 614 CD ARG A 239 4.755 4.857 3.775 1.00 1.00 C ATOM 615 NE ARG A 239 5.689 4.044 4.600 1.00 1.00 N ATOM 616 CZ ARG A 239 6.570 4.635 5.362 1.00 1.00 C ATOM 617 NH1 ARG A 239 6.177 5.459 6.294 1.00 1.00 N ATOM 618 NH2 ARG A 239 7.843 4.401 5.190 1.00 1.00 N ATOM 0 H ARG A 239 3.529 6.009 -1.167 1.00 1.00 H new ATOM 0 HA ARG A 239 5.028 7.174 1.192 1.00 1.00 H new ATOM 0 HB2 ARG A 239 3.279 5.528 1.930 1.00 1.00 H new ATOM 0 HB3 ARG A 239 3.802 4.393 0.702 1.00 1.00 H new ATOM 0 HG2 ARG A 239 5.359 3.567 2.147 1.00 1.00 H new ATOM 0 HG3 ARG A 239 6.162 5.125 2.154 1.00 1.00 H new ATOM 0 HD2 ARG A 239 4.806 5.912 4.044 1.00 1.00 H new ATOM 0 HD3 ARG A 239 3.722 4.541 3.921 1.00 1.00 H new ATOM 0 HE ARG A 239 5.641 3.026 4.571 1.00 1.00 H new ATOM 0 HH11 ARG A 239 5.182 5.641 6.427 1.00 1.00 H new ATOM 0 HH12 ARG A 239 6.864 5.921 6.889 1.00 1.00 H new ATOM 0 HH21 ARG A 239 8.149 3.757 4.461 1.00 1.00 H new ATOM 0 HH22 ARG A 239 8.531 4.862 5.785 1.00 1.00 H new ATOM 632 N PRO A 240 7.063 6.631 0.008 1.00 1.00 N ATOM 633 CA PRO A 240 8.357 6.298 -0.637 1.00 1.00 C ATOM 634 C PRO A 240 8.995 5.087 0.051 1.00 1.00 C ATOM 635 O PRO A 240 8.431 4.509 0.958 1.00 1.00 O ATOM 636 CB PRO A 240 9.198 7.552 -0.425 1.00 1.00 C ATOM 637 CG PRO A 240 8.610 8.216 0.779 1.00 1.00 C ATOM 638 CD PRO A 240 7.146 7.858 0.810 1.00 1.00 C ATOM 0 HA PRO A 240 8.258 6.034 -1.690 1.00 1.00 H new ATOM 0 HB2 PRO A 240 10.246 7.301 -0.264 1.00 1.00 H new ATOM 0 HB3 PRO A 240 9.157 8.206 -1.296 1.00 1.00 H new ATOM 0 HG2 PRO A 240 9.109 7.878 1.688 1.00 1.00 H new ATOM 0 HG3 PRO A 240 8.742 9.297 0.726 1.00 1.00 H new ATOM 0 HD2 PRO A 240 6.797 7.693 1.829 1.00 1.00 H new ATOM 0 HD3 PRO A 240 6.532 8.653 0.388 1.00 1.00 H new ATOM 646 N LEU A 241 10.165 4.698 -0.375 1.00 1.00 N ATOM 647 CA LEU A 241 10.832 3.528 0.253 1.00 1.00 C ATOM 648 C LEU A 241 12.236 3.911 0.728 1.00 1.00 C ATOM 649 O LEU A 241 12.595 5.071 0.762 1.00 1.00 O ATOM 650 CB LEU A 241 10.899 2.472 -0.851 1.00 1.00 C ATOM 651 CG LEU A 241 9.483 2.126 -1.313 1.00 1.00 C ATOM 652 CD1 LEU A 241 9.475 1.918 -2.828 1.00 1.00 C ATOM 653 CD2 LEU A 241 9.021 0.841 -0.621 1.00 1.00 C ATOM 0 H LEU A 241 10.686 5.141 -1.131 1.00 1.00 H new ATOM 0 HA LEU A 241 10.295 3.164 1.129 1.00 1.00 H new ATOM 0 HB2 LEU A 241 11.486 2.845 -1.690 1.00 1.00 H new ATOM 0 HB3 LEU A 241 11.402 1.577 -0.483 1.00 1.00 H new ATOM 0 HG LEU A 241 8.808 2.942 -1.055 1.00 1.00 H new ATOM 0 HD11 LEU A 241 8.465 1.671 -3.156 1.00 1.00 H new ATOM 0 HD12 LEU A 241 9.804 2.832 -3.322 1.00 1.00 H new ATOM 0 HD13 LEU A 241 10.150 1.102 -3.087 1.00 1.00 H new ATOM 0 HD21 LEU A 241 8.012 0.593 -0.950 1.00 1.00 H new ATOM 0 HD22 LEU A 241 9.697 0.026 -0.879 1.00 1.00 H new ATOM 0 HD23 LEU A 241 9.025 0.988 0.459 1.00 1.00 H new ATOM 665 N ILE A 242 13.035 2.945 1.091 1.00 1.00 N ATOM 666 CA ILE A 242 14.411 3.254 1.560 1.00 1.00 C ATOM 667 C ILE A 242 15.366 2.114 1.191 1.00 1.00 C ATOM 668 O ILE A 242 15.757 1.326 2.027 1.00 1.00 O ATOM 669 CB ILE A 242 14.297 3.387 3.078 1.00 1.00 C ATOM 670 CG1 ILE A 242 13.394 4.575 3.421 1.00 1.00 C ATOM 671 CG2 ILE A 242 15.686 3.614 3.677 1.00 1.00 C ATOM 672 CD1 ILE A 242 13.326 4.744 4.939 1.00 1.00 C ATOM 0 H ILE A 242 12.792 1.954 1.082 1.00 1.00 H new ATOM 0 HA ILE A 242 14.806 4.161 1.102 1.00 1.00 H new ATOM 0 HB ILE A 242 13.868 2.474 3.490 1.00 1.00 H new ATOM 0 HG12 ILE A 242 13.781 5.484 2.960 1.00 1.00 H new ATOM 0 HG13 ILE A 242 12.394 4.414 3.017 1.00 1.00 H new ATOM 0 HG21 ILE A 242 15.604 3.709 4.760 1.00 1.00 H new ATOM 0 HG22 ILE A 242 16.330 2.768 3.434 1.00 1.00 H new ATOM 0 HG23 ILE A 242 16.115 4.527 3.264 1.00 1.00 H new ATOM 0 HD11 ILE A 242 12.683 5.590 5.182 1.00 1.00 H new ATOM 0 HD12 ILE A 242 12.919 3.838 5.388 1.00 1.00 H new ATOM 0 HD13 ILE A 242 14.327 4.925 5.330 1.00 1.00 H new ATOM 684 N ARG A 243 15.744 2.025 -0.055 1.00 1.00 N ATOM 685 CA ARG A 243 16.675 0.937 -0.472 1.00 1.00 C ATOM 686 C ARG A 243 18.124 1.418 -0.385 1.00 1.00 C ATOM 687 O ARG A 243 18.962 0.642 0.044 1.00 1.00 O ATOM 688 CB ARG A 243 16.299 0.626 -1.918 1.00 1.00 C ATOM 689 CG ARG A 243 15.963 -0.859 -2.048 1.00 1.00 C ATOM 690 CD ARG A 243 15.088 -1.082 -3.285 1.00 1.00 C ATOM 691 NE ARG A 243 14.555 -2.465 -3.135 1.00 1.00 N ATOM 692 CZ ARG A 243 14.372 -3.213 -4.187 1.00 1.00 C ATOM 693 NH1 ARG A 243 13.503 -2.861 -5.096 1.00 1.00 N ATOM 694 NH2 ARG A 243 15.057 -4.314 -4.333 1.00 1.00 N ATOM 695 OXT ARG A 243 18.373 2.556 -0.748 1.00 0.00 O ATOM 0 H ARG A 243 15.450 2.656 -0.800 1.00 1.00 H new ATOM 0 HA ARG A 243 16.595 0.058 0.167 1.00 1.00 H new ATOM 0 HB2 ARG A 243 15.445 1.231 -2.221 1.00 1.00 H new ATOM 0 HB3 ARG A 243 17.124 0.883 -2.583 1.00 1.00 H new ATOM 0 HG2 ARG A 243 16.879 -1.444 -2.128 1.00 1.00 H new ATOM 0 HG3 ARG A 243 15.442 -1.204 -1.155 1.00 1.00 H new ATOM 0 HD2 ARG A 243 14.281 -0.351 -3.335 1.00 1.00 H new ATOM 0 HD3 ARG A 243 15.668 -0.980 -4.202 1.00 1.00 H new ATOM 0 HE ARG A 243 14.333 -2.827 -2.208 1.00 1.00 H new ATOM 0 HH11 ARG A 243 12.967 -2.001 -4.983 1.00 1.00 H new ATOM 0 HH12 ARG A 243 13.360 -3.447 -5.919 1.00 1.00 H new ATOM 0 HH21 ARG A 243 15.736 -4.590 -3.624 1.00 1.00 H new ATOM 0 HH22 ARG A 243 14.913 -4.899 -5.156 1.00 1.00 H new TER 709 ARG A 243 HETATM 710 ZN ZN A 244 3.743 -1.992 1.758 1.00 1.00 ZN