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 145:sc= -0.463 USER MOD Set 1.2: A 222 HIS : no HD1:sc= -4.43! C(o=-4.9!,f=-10!) USER MOD Single : A 199 SER OG : rot 180:sc= 0 USER MOD Single : A 206 ASN : amide:sc= -6.18! C(o=-6.2!,f=-11!) USER MOD Single : A 210 THR OG1 : rot 43:sc= 0.19 USER MOD Single : A 212 THR OG1 : rot -160:sc= -1.89! USER MOD Single : A 223 TYR OH : rot 150:sc= -1.57! USER MOD Single : A 226 ASN : amide:sc= -0.179 K(o=-0.18,f=-1.5!) USER MOD Single : A 231 TYR OH : rot 180:sc= 0 USER MOD Single : A 232 HIS :FLIP no HE2:sc= -0.924 F(o=-2.7!,f=-0.92) 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= -1.06 X(o=-1.1,f=-0.65) USER MOD Single : A 237 GLN : amide:sc= -0.0131 K(o=-0.013,f=-1.6!) USER MOD Single : A 238 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 198 -1.178 -20.338 -3.357 1.00 1.00 N ATOM 2 CA GLY A 198 -0.061 -19.843 -4.212 1.00 1.00 C ATOM 3 C GLY A 198 -0.333 -18.394 -4.619 1.00 1.00 C ATOM 4 O GLY A 198 -1.344 -18.085 -5.218 1.00 1.00 O ATOM 0 HA2 GLY A 198 0.882 -19.909 -3.670 1.00 1.00 H new ATOM 0 HA3 GLY A 198 0.037 -20.469 -5.099 1.00 1.00 H new ATOM 10 N SER A 199 0.565 -17.501 -4.300 1.00 1.00 N ATOM 11 CA SER A 199 0.363 -16.072 -4.668 1.00 1.00 C ATOM 12 C SER A 199 -1.058 -15.623 -4.308 1.00 1.00 C ATOM 13 O SER A 199 -1.608 -14.725 -4.914 1.00 1.00 O ATOM 14 CB SER A 199 0.572 -16.020 -6.181 1.00 1.00 C ATOM 15 OG SER A 199 1.613 -15.099 -6.478 1.00 1.00 O ATOM 0 H SER A 199 1.431 -17.701 -3.800 1.00 1.00 H new ATOM 0 HA SER A 199 1.047 -15.411 -4.137 1.00 1.00 H new ATOM 0 HB2 SER A 199 0.827 -17.010 -6.559 1.00 1.00 H new ATOM 0 HB3 SER A 199 -0.350 -15.717 -6.677 1.00 1.00 H new ATOM 0 HG SER A 199 1.752 -15.064 -7.447 1.00 1.00 H new ATOM 21 N GLU A 200 -1.655 -16.242 -3.326 1.00 1.00 N ATOM 22 CA GLU A 200 -3.038 -15.849 -2.929 1.00 1.00 C ATOM 23 C GLU A 200 -3.079 -14.368 -2.547 1.00 1.00 C ATOM 24 O GLU A 200 -3.744 -13.570 -3.176 1.00 1.00 O ATOM 25 CB GLU A 200 -3.369 -16.727 -1.721 1.00 1.00 C ATOM 26 CG GLU A 200 -4.876 -16.988 -1.679 1.00 1.00 C ATOM 27 CD GLU A 200 -5.180 -18.050 -0.621 1.00 1.00 C ATOM 28 OE1 GLU A 200 -4.319 -18.296 0.208 1.00 1.00 O ATOM 29 OE2 GLU A 200 -6.270 -18.598 -0.656 1.00 1.00 O ATOM 0 H GLU A 200 -1.246 -17.002 -2.782 1.00 1.00 H new ATOM 0 HA GLU A 200 -3.755 -15.986 -3.739 1.00 1.00 H new ATOM 0 HB2 GLU A 200 -2.827 -17.671 -1.784 1.00 1.00 H new ATOM 0 HB3 GLU A 200 -3.048 -16.236 -0.802 1.00 1.00 H new ATOM 0 HG2 GLU A 200 -5.409 -16.066 -1.448 1.00 1.00 H new ATOM 0 HG3 GLU A 200 -5.225 -17.322 -2.656 1.00 1.00 H new ATOM 36 N ALA A 201 -2.374 -14.001 -1.517 1.00 1.00 N ATOM 37 CA ALA A 201 -2.367 -12.574 -1.085 1.00 1.00 C ATOM 38 C ALA A 201 -1.864 -11.678 -2.218 1.00 1.00 C ATOM 39 O ALA A 201 -1.159 -12.115 -3.105 1.00 1.00 O ATOM 40 CB ALA A 201 -1.407 -12.527 0.104 1.00 1.00 C ATOM 0 H ALA A 201 -1.800 -14.627 -0.953 1.00 1.00 H new ATOM 0 HA ALA A 201 -3.363 -12.218 -0.821 1.00 1.00 H new ATOM 0 HB1 ALA A 201 -1.346 -11.506 0.482 1.00 1.00 H new ATOM 0 HB2 ALA A 201 -1.772 -13.185 0.893 1.00 1.00 H new ATOM 0 HB3 ALA A 201 -0.418 -12.856 -0.214 1.00 1.00 H new ATOM 46 N ARG A 202 -2.221 -10.423 -2.194 1.00 1.00 N ATOM 47 CA ARG A 202 -1.764 -9.495 -3.268 1.00 1.00 C ATOM 48 C ARG A 202 -0.337 -9.019 -2.982 1.00 1.00 C ATOM 49 O ARG A 202 0.307 -9.478 -2.061 1.00 1.00 O ATOM 50 CB ARG A 202 -2.738 -8.318 -3.214 1.00 1.00 C ATOM 51 CG ARG A 202 -3.745 -8.432 -4.358 1.00 1.00 C ATOM 52 CD ARG A 202 -4.503 -9.756 -4.243 1.00 1.00 C ATOM 53 NE ARG A 202 -4.356 -10.398 -5.578 1.00 1.00 N ATOM 54 CZ ARG A 202 -4.895 -9.844 -6.631 1.00 1.00 C ATOM 55 NH1 ARG A 202 -6.188 -9.883 -6.797 1.00 1.00 N ATOM 56 NH2 ARG A 202 -4.139 -9.247 -7.514 1.00 1.00 N ATOM 0 H ARG A 202 -2.810 -10.000 -1.477 1.00 1.00 H new ATOM 0 HA ARG A 202 -1.752 -9.972 -4.248 1.00 1.00 H new ATOM 0 HB2 ARG A 202 -3.259 -8.308 -2.257 1.00 1.00 H new ATOM 0 HB3 ARG A 202 -2.192 -7.378 -3.289 1.00 1.00 H new ATOM 0 HG2 ARG A 202 -4.444 -7.597 -4.325 1.00 1.00 H new ATOM 0 HG3 ARG A 202 -3.229 -8.378 -5.317 1.00 1.00 H new ATOM 0 HD2 ARG A 202 -4.086 -10.383 -3.455 1.00 1.00 H new ATOM 0 HD3 ARG A 202 -5.552 -9.591 -3.997 1.00 1.00 H new ATOM 0 HE ARG A 202 -3.835 -11.270 -5.670 1.00 1.00 H new ATOM 0 HH11 ARG A 202 -6.777 -10.346 -6.105 1.00 1.00 H new ATOM 0 HH12 ARG A 202 -6.610 -9.451 -7.619 1.00 1.00 H new ATOM 0 HH21 ARG A 202 -3.128 -9.214 -7.381 1.00 1.00 H new ATOM 0 HH22 ARG A 202 -4.560 -8.814 -8.336 1.00 1.00 H new ATOM 70 N GLU A 203 0.155 -8.098 -3.761 1.00 1.00 N ATOM 71 CA GLU A 203 1.537 -7.586 -3.532 1.00 1.00 C ATOM 72 C GLU A 203 1.506 -6.065 -3.370 1.00 1.00 C ATOM 73 O GLU A 203 1.142 -5.343 -4.278 1.00 1.00 O ATOM 74 CB GLU A 203 2.323 -7.979 -4.783 1.00 1.00 C ATOM 75 CG GLU A 203 3.699 -8.508 -4.375 1.00 1.00 C ATOM 76 CD GLU A 203 4.306 -9.298 -5.536 1.00 1.00 C ATOM 77 OE1 GLU A 203 3.753 -9.239 -6.620 1.00 1.00 O ATOM 78 OE2 GLU A 203 5.314 -9.950 -5.319 1.00 1.00 O ATOM 0 H GLU A 203 -0.339 -7.676 -4.547 1.00 1.00 H new ATOM 0 HA GLU A 203 1.988 -7.997 -2.629 1.00 1.00 H new ATOM 0 HB2 GLU A 203 1.780 -8.741 -5.342 1.00 1.00 H new ATOM 0 HB3 GLU A 203 2.433 -7.118 -5.442 1.00 1.00 H new ATOM 0 HG2 GLU A 203 4.353 -7.679 -4.103 1.00 1.00 H new ATOM 0 HG3 GLU A 203 3.609 -9.145 -3.495 1.00 1.00 H new ATOM 85 N CYS A 204 1.881 -5.575 -2.224 1.00 1.00 N ATOM 86 CA CYS A 204 1.868 -4.105 -2.004 1.00 1.00 C ATOM 87 C CYS A 204 2.564 -3.391 -3.160 1.00 1.00 C ATOM 88 O CYS A 204 3.766 -3.471 -3.320 1.00 1.00 O ATOM 89 CB CYS A 204 2.642 -3.898 -0.709 1.00 1.00 C ATOM 90 SG CYS A 204 2.534 -2.166 -0.211 1.00 1.00 S ATOM 0 H CYS A 204 2.197 -6.130 -1.429 1.00 1.00 H new ATOM 0 HA CYS A 204 0.856 -3.704 -1.947 1.00 1.00 H new ATOM 0 HB2 CYS A 204 2.238 -4.538 0.075 1.00 1.00 H new ATOM 0 HB3 CYS A 204 3.685 -4.183 -0.847 1.00 1.00 H new ATOM 95 N VAL A 205 1.820 -2.685 -3.961 1.00 1.00 N ATOM 96 CA VAL A 205 2.438 -1.952 -5.102 1.00 1.00 C ATOM 97 C VAL A 205 3.624 -1.111 -4.616 1.00 1.00 C ATOM 98 O VAL A 205 4.453 -0.686 -5.396 1.00 1.00 O ATOM 99 CB VAL A 205 1.325 -1.047 -5.630 1.00 1.00 C ATOM 100 CG1 VAL A 205 0.869 -0.099 -4.520 1.00 1.00 C ATOM 101 CG2 VAL A 205 1.850 -0.229 -6.812 1.00 1.00 C ATOM 0 H VAL A 205 0.809 -2.582 -3.876 1.00 1.00 H new ATOM 0 HA VAL A 205 2.822 -2.626 -5.868 1.00 1.00 H new ATOM 0 HB VAL A 205 0.484 -1.659 -5.955 1.00 1.00 H new ATOM 0 HG11 VAL A 205 0.075 0.547 -4.896 1.00 1.00 H new ATOM 0 HG12 VAL A 205 0.495 -0.679 -3.676 1.00 1.00 H new ATOM 0 HG13 VAL A 205 1.711 0.513 -4.195 1.00 1.00 H new ATOM 0 HG21 VAL A 205 1.057 0.416 -7.189 1.00 1.00 H new ATOM 0 HG22 VAL A 205 2.691 0.383 -6.486 1.00 1.00 H new ATOM 0 HG23 VAL A 205 2.177 -0.903 -7.604 1.00 1.00 H new ATOM 111 N ASN A 206 3.702 -0.848 -3.338 1.00 1.00 N ATOM 112 CA ASN A 206 4.822 -0.014 -2.817 1.00 1.00 C ATOM 113 C ASN A 206 5.995 -0.869 -2.318 1.00 1.00 C ATOM 114 O ASN A 206 7.118 -0.694 -2.750 1.00 1.00 O ATOM 115 CB ASN A 206 4.215 0.778 -1.659 1.00 1.00 C ATOM 116 CG ASN A 206 3.643 2.095 -2.187 1.00 1.00 C ATOM 117 OD1 ASN A 206 2.529 2.458 -1.868 1.00 1.00 O ATOM 118 ND2 ASN A 206 4.366 2.829 -2.989 1.00 1.00 N ATOM 0 H ASN A 206 3.039 -1.174 -2.635 1.00 1.00 H new ATOM 0 HA ASN A 206 5.232 0.625 -3.599 1.00 1.00 H new ATOM 0 HB2 ASN A 206 3.430 0.195 -1.178 1.00 1.00 H new ATOM 0 HB3 ASN A 206 4.974 0.976 -0.902 1.00 1.00 H new ATOM 0 HD21 ASN A 206 3.995 3.709 -3.348 1.00 1.00 H new ATOM 0 HD22 ASN A 206 5.302 2.523 -3.256 1.00 1.00 H new ATOM 125 N CYS A 207 5.771 -1.768 -1.391 1.00 1.00 N ATOM 126 CA CYS A 207 6.905 -2.572 -0.871 1.00 1.00 C ATOM 127 C CYS A 207 6.715 -4.076 -1.143 1.00 1.00 C ATOM 128 O CYS A 207 7.557 -4.884 -0.803 1.00 1.00 O ATOM 129 CB CYS A 207 6.935 -2.248 0.626 1.00 1.00 C ATOM 130 SG CYS A 207 5.701 -3.218 1.525 1.00 1.00 S ATOM 0 H CYS A 207 4.861 -1.974 -0.980 1.00 1.00 H new ATOM 0 HA CYS A 207 7.848 -2.329 -1.360 1.00 1.00 H new ATOM 0 HB2 CYS A 207 7.927 -2.455 1.027 1.00 1.00 H new ATOM 0 HB3 CYS A 207 6.746 -1.185 0.775 1.00 1.00 H new ATOM 135 N GLY A 208 5.639 -4.458 -1.782 1.00 1.00 N ATOM 136 CA GLY A 208 5.430 -5.907 -2.107 1.00 1.00 C ATOM 137 C GLY A 208 4.945 -6.679 -0.877 1.00 1.00 C ATOM 138 O GLY A 208 4.809 -7.887 -0.906 1.00 1.00 O ATOM 0 H GLY A 208 4.896 -3.833 -2.094 1.00 1.00 H new ATOM 0 HA2 GLY A 208 4.701 -6.002 -2.912 1.00 1.00 H new ATOM 0 HA3 GLY A 208 6.362 -6.341 -2.469 1.00 1.00 H new ATOM 142 N ALA A 209 4.681 -5.999 0.196 1.00 1.00 N ATOM 143 CA ALA A 209 4.201 -6.689 1.427 1.00 1.00 C ATOM 144 C ALA A 209 3.045 -7.633 1.089 1.00 1.00 C ATOM 145 O ALA A 209 1.962 -7.201 0.757 1.00 1.00 O ATOM 146 CB ALA A 209 3.719 -5.561 2.336 1.00 1.00 C ATOM 0 H ALA A 209 4.776 -4.987 0.278 1.00 1.00 H new ATOM 0 HA ALA A 209 4.977 -7.295 1.895 1.00 1.00 H new ATOM 0 HB1 ALA A 209 3.347 -5.981 3.270 1.00 1.00 H new ATOM 0 HB2 ALA A 209 4.547 -4.884 2.547 1.00 1.00 H new ATOM 0 HB3 ALA A 209 2.919 -5.011 1.841 1.00 1.00 H new ATOM 152 N THR A 210 3.264 -8.917 1.173 1.00 1.00 N ATOM 153 CA THR A 210 2.169 -9.878 0.854 1.00 1.00 C ATOM 154 C THR A 210 1.602 -10.486 2.140 1.00 1.00 C ATOM 155 O THR A 210 0.655 -11.247 2.113 1.00 1.00 O ATOM 156 CB THR A 210 2.824 -10.960 -0.006 1.00 1.00 C ATOM 157 OG1 THR A 210 3.533 -10.349 -1.074 1.00 1.00 O ATOM 158 CG2 THR A 210 1.746 -11.887 -0.572 1.00 1.00 C ATOM 0 H THR A 210 4.150 -9.341 1.448 1.00 1.00 H new ATOM 0 HA THR A 210 1.338 -9.396 0.339 1.00 1.00 H new ATOM 0 HB THR A 210 3.515 -11.541 0.605 1.00 1.00 H new ATOM 0 HG1 THR A 210 4.025 -9.571 -0.737 1.00 1.00 H new ATOM 0 HG21 THR A 210 2.214 -12.658 -1.185 1.00 1.00 H new ATOM 0 HG22 THR A 210 1.202 -12.356 0.248 1.00 1.00 H new ATOM 0 HG23 THR A 210 1.053 -11.309 -1.183 1.00 1.00 H new ATOM 166 N ALA A 211 2.171 -10.156 3.268 1.00 1.00 N ATOM 167 CA ALA A 211 1.659 -10.717 4.551 1.00 1.00 C ATOM 168 C ALA A 211 0.786 -9.682 5.267 1.00 1.00 C ATOM 169 O ALA A 211 0.504 -9.800 6.441 1.00 1.00 O ATOM 170 CB ALA A 211 2.909 -11.025 5.377 1.00 1.00 C ATOM 0 H ALA A 211 2.966 -9.524 3.356 1.00 1.00 H new ATOM 0 HA ALA A 211 1.043 -11.603 4.398 1.00 1.00 H new ATOM 0 HB1 ALA A 211 2.615 -11.443 6.340 1.00 1.00 H new ATOM 0 HB2 ALA A 211 3.530 -11.745 4.843 1.00 1.00 H new ATOM 0 HB3 ALA A 211 3.474 -10.107 5.537 1.00 1.00 H new ATOM 176 N THR A 212 0.358 -8.669 4.565 1.00 1.00 N ATOM 177 CA THR A 212 -0.493 -7.627 5.205 1.00 1.00 C ATOM 178 C THR A 212 -1.773 -8.257 5.761 1.00 1.00 C ATOM 179 O THR A 212 -2.220 -9.281 5.283 1.00 1.00 O ATOM 180 CB THR A 212 -0.825 -6.644 4.080 1.00 1.00 C ATOM 181 OG1 THR A 212 -1.767 -5.691 4.548 1.00 1.00 O ATOM 182 CG2 THR A 212 -1.414 -7.406 2.891 1.00 1.00 C ATOM 0 H THR A 212 0.561 -8.518 3.577 1.00 1.00 H new ATOM 0 HA THR A 212 0.009 -7.139 6.040 1.00 1.00 H new ATOM 0 HB THR A 212 0.084 -6.131 3.765 1.00 1.00 H new ATOM 0 HG1 THR A 212 -2.216 -5.272 3.784 1.00 1.00 H new ATOM 0 HG21 THR A 212 -1.650 -6.705 2.090 1.00 1.00 H new ATOM 0 HG22 THR A 212 -0.689 -8.136 2.532 1.00 1.00 H new ATOM 0 HG23 THR A 212 -2.323 -7.920 3.203 1.00 1.00 H new ATOM 190 N PRO A 213 -2.321 -7.617 6.760 1.00 1.00 N ATOM 191 CA PRO A 213 -3.566 -8.116 7.396 1.00 1.00 C ATOM 192 C PRO A 213 -4.764 -7.900 6.467 1.00 1.00 C ATOM 193 O PRO A 213 -5.532 -8.804 6.207 1.00 1.00 O ATOM 194 CB PRO A 213 -3.693 -7.260 8.653 1.00 1.00 C ATOM 195 CG PRO A 213 -2.939 -6.007 8.345 1.00 1.00 C ATOM 196 CD PRO A 213 -1.838 -6.381 7.386 1.00 1.00 C ATOM 0 HA PRO A 213 -3.538 -9.184 7.613 1.00 1.00 H new ATOM 0 HB2 PRO A 213 -4.737 -7.046 8.881 1.00 1.00 H new ATOM 0 HB3 PRO A 213 -3.275 -7.769 9.521 1.00 1.00 H new ATOM 0 HG2 PRO A 213 -3.598 -5.259 7.904 1.00 1.00 H new ATOM 0 HG3 PRO A 213 -2.527 -5.571 9.255 1.00 1.00 H new ATOM 0 HD2 PRO A 213 -1.669 -5.598 6.647 1.00 1.00 H new ATOM 0 HD3 PRO A 213 -0.893 -6.539 7.905 1.00 1.00 H new ATOM 204 N LEU A 214 -4.925 -6.706 5.964 1.00 1.00 N ATOM 205 CA LEU A 214 -6.071 -6.430 5.051 1.00 1.00 C ATOM 206 C LEU A 214 -5.629 -5.491 3.925 1.00 1.00 C ATOM 207 O LEU A 214 -5.102 -4.423 4.166 1.00 1.00 O ATOM 208 CB LEU A 214 -7.125 -5.756 5.931 1.00 1.00 C ATOM 209 CG LEU A 214 -8.510 -5.960 5.316 1.00 1.00 C ATOM 210 CD1 LEU A 214 -9.326 -6.908 6.198 1.00 1.00 C ATOM 211 CD2 LEU A 214 -9.229 -4.613 5.220 1.00 1.00 C ATOM 0 H LEU A 214 -4.313 -5.910 6.146 1.00 1.00 H new ATOM 0 HA LEU A 214 -6.455 -7.335 4.580 1.00 1.00 H new ATOM 0 HB2 LEU A 214 -7.097 -6.176 6.937 1.00 1.00 H new ATOM 0 HB3 LEU A 214 -6.910 -4.691 6.024 1.00 1.00 H new ATOM 0 HG LEU A 214 -8.404 -6.389 4.320 1.00 1.00 H new ATOM 0 HD11 LEU A 214 -10.313 -7.053 5.760 1.00 1.00 H new ATOM 0 HD12 LEU A 214 -8.816 -7.868 6.269 1.00 1.00 H new ATOM 0 HD13 LEU A 214 -9.431 -6.478 7.194 1.00 1.00 H new ATOM 0 HD21 LEU A 214 -10.216 -4.758 4.782 1.00 1.00 H new ATOM 0 HD22 LEU A 214 -9.334 -4.185 6.217 1.00 1.00 H new ATOM 0 HD23 LEU A 214 -8.650 -3.935 4.593 1.00 1.00 H new ATOM 223 N TRP A 215 -5.837 -5.882 2.698 1.00 1.00 N ATOM 224 CA TRP A 215 -5.426 -5.013 1.559 1.00 1.00 C ATOM 225 C TRP A 215 -6.412 -3.853 1.392 1.00 1.00 C ATOM 226 O TRP A 215 -7.404 -3.759 2.089 1.00 1.00 O ATOM 227 CB TRP A 215 -5.458 -5.927 0.335 1.00 1.00 C ATOM 228 CG TRP A 215 -4.398 -6.974 0.465 1.00 1.00 C ATOM 229 CD1 TRP A 215 -4.571 -8.181 1.052 1.00 1.00 C ATOM 230 CD2 TRP A 215 -3.012 -6.932 0.013 1.00 1.00 C ATOM 231 NE1 TRP A 215 -3.381 -8.884 0.987 1.00 1.00 N ATOM 232 CE2 TRP A 215 -2.390 -8.158 0.356 1.00 1.00 C ATOM 233 CE3 TRP A 215 -2.240 -5.963 -0.656 1.00 1.00 C ATOM 234 CZ2 TRP A 215 -1.053 -8.411 0.049 1.00 1.00 C ATOM 235 CZ3 TRP A 215 -0.895 -6.216 -0.967 1.00 1.00 C ATOM 236 CH2 TRP A 215 -0.303 -7.438 -0.616 1.00 1.00 C ATOM 0 H TRP A 215 -6.274 -6.765 2.435 1.00 1.00 H new ATOM 0 HA TRP A 215 -4.442 -4.570 1.712 1.00 1.00 H new ATOM 0 HB2 TRP A 215 -6.438 -6.396 0.244 1.00 1.00 H new ATOM 0 HB3 TRP A 215 -5.298 -5.344 -0.572 1.00 1.00 H new ATOM 0 HD1 TRP A 215 -5.488 -8.537 1.498 1.00 1.00 H new ATOM 0 HE1 TRP A 215 -3.251 -9.824 1.360 1.00 1.00 H new ATOM 0 HE3 TRP A 215 -2.686 -5.019 -0.932 1.00 1.00 H new ATOM 0 HZ2 TRP A 215 -0.601 -9.353 0.324 1.00 1.00 H new ATOM 0 HZ3 TRP A 215 -0.312 -5.465 -1.480 1.00 1.00 H new ATOM 0 HH2 TRP A 215 0.732 -7.627 -0.860 1.00 1.00 H new ATOM 247 N ARG A 216 -6.145 -2.970 0.470 1.00 1.00 N ATOM 248 CA ARG A 216 -7.059 -1.812 0.250 1.00 1.00 C ATOM 249 C ARG A 216 -6.576 -0.993 -0.949 1.00 1.00 C ATOM 250 O ARG A 216 -5.441 -0.563 -0.999 1.00 1.00 O ATOM 251 CB ARG A 216 -6.969 -0.989 1.538 1.00 1.00 C ATOM 252 CG ARG A 216 -8.289 -0.250 1.769 1.00 1.00 C ATOM 253 CD ARG A 216 -9.368 -1.251 2.192 1.00 1.00 C ATOM 254 NE ARG A 216 -10.268 -0.484 3.096 1.00 1.00 N ATOM 255 CZ ARG A 216 -11.125 0.365 2.597 1.00 1.00 C ATOM 256 NH1 ARG A 216 -12.213 -0.067 2.020 1.00 1.00 N ATOM 257 NH2 ARG A 216 -10.893 1.647 2.674 1.00 1.00 N ATOM 0 H ARG A 216 -5.330 -3.000 -0.143 1.00 1.00 H new ATOM 0 HA ARG A 216 -8.083 -2.119 0.037 1.00 1.00 H new ATOM 0 HB2 ARG A 216 -6.753 -1.642 2.384 1.00 1.00 H new ATOM 0 HB3 ARG A 216 -6.148 -0.275 1.469 1.00 1.00 H new ATOM 0 HG2 ARG A 216 -8.162 0.511 2.539 1.00 1.00 H new ATOM 0 HG3 ARG A 216 -8.593 0.266 0.858 1.00 1.00 H new ATOM 0 HD2 ARG A 216 -9.910 -1.636 1.328 1.00 1.00 H new ATOM 0 HD3 ARG A 216 -8.932 -2.109 2.703 1.00 1.00 H new ATOM 0 HE ARG A 216 -10.215 -0.622 4.105 1.00 1.00 H new ATOM 0 HH11 ARG A 216 -12.394 -1.069 1.959 1.00 1.00 H new ATOM 0 HH12 ARG A 216 -12.882 0.597 1.630 1.00 1.00 H new ATOM 0 HH21 ARG A 216 -10.042 1.985 3.124 1.00 1.00 H new ATOM 0 HH22 ARG A 216 -11.562 2.311 2.284 1.00 1.00 H new ATOM 271 N ARG A 217 -7.421 -0.778 -1.920 1.00 1.00 N ATOM 272 CA ARG A 217 -6.994 0.004 -3.112 1.00 1.00 C ATOM 273 C ARG A 217 -7.258 1.495 -2.901 1.00 1.00 C ATOM 274 O ARG A 217 -8.031 1.888 -2.050 1.00 1.00 O ATOM 275 CB ARG A 217 -7.844 -0.526 -4.268 1.00 1.00 C ATOM 276 CG ARG A 217 -7.934 -2.052 -4.193 1.00 1.00 C ATOM 277 CD ARG A 217 -8.622 -2.579 -5.455 1.00 1.00 C ATOM 278 NE ARG A 217 -9.990 -1.992 -5.420 1.00 1.00 N ATOM 279 CZ ARG A 217 -10.948 -2.611 -4.788 1.00 1.00 C ATOM 280 NH1 ARG A 217 -11.536 -3.638 -5.340 1.00 1.00 N ATOM 281 NH2 ARG A 217 -11.318 -2.206 -3.604 1.00 1.00 N ATOM 0 H ARG A 217 -8.385 -1.109 -1.939 1.00 1.00 H new ATOM 0 HA ARG A 217 -5.927 -0.105 -3.305 1.00 1.00 H new ATOM 0 HB2 ARG A 217 -8.843 -0.092 -4.225 1.00 1.00 H new ATOM 0 HB3 ARG A 217 -7.406 -0.225 -5.220 1.00 1.00 H new ATOM 0 HG2 ARG A 217 -6.937 -2.483 -4.101 1.00 1.00 H new ATOM 0 HG3 ARG A 217 -8.494 -2.352 -3.307 1.00 1.00 H new ATOM 0 HD2 ARG A 217 -8.085 -2.276 -6.354 1.00 1.00 H new ATOM 0 HD3 ARG A 217 -8.660 -3.668 -5.459 1.00 1.00 H new ATOM 0 HE ARG A 217 -10.178 -1.106 -5.890 1.00 1.00 H new ATOM 0 HH11 ARG A 217 -11.246 -3.955 -6.265 1.00 1.00 H new ATOM 0 HH12 ARG A 217 -12.285 -4.123 -4.846 1.00 1.00 H new ATOM 0 HH21 ARG A 217 -10.858 -1.405 -3.172 1.00 1.00 H new ATOM 0 HH22 ARG A 217 -12.067 -2.691 -3.110 1.00 1.00 H new ATOM 295 N ASP A 218 -6.613 2.325 -3.670 1.00 1.00 N ATOM 296 CA ASP A 218 -6.807 3.789 -3.528 1.00 1.00 C ATOM 297 C ASP A 218 -7.156 4.404 -4.888 1.00 1.00 C ATOM 298 O ASP A 218 -7.625 3.726 -5.782 1.00 1.00 O ATOM 299 CB ASP A 218 -5.455 4.302 -3.037 1.00 1.00 C ATOM 300 CG ASP A 218 -4.332 3.679 -3.871 1.00 1.00 C ATOM 301 OD1 ASP A 218 -4.587 3.346 -5.017 1.00 1.00 O ATOM 302 OD2 ASP A 218 -3.237 3.546 -3.349 1.00 1.00 O ATOM 0 H ASP A 218 -5.954 2.047 -4.397 1.00 1.00 H new ATOM 0 HA ASP A 218 -7.619 4.046 -2.847 1.00 1.00 H new ATOM 0 HB2 ASP A 218 -5.418 5.389 -3.114 1.00 1.00 H new ATOM 0 HB3 ASP A 218 -5.321 4.052 -1.985 1.00 1.00 H new ATOM 307 N ARG A 219 -6.930 5.677 -5.057 1.00 1.00 N ATOM 308 CA ARG A 219 -7.245 6.326 -6.361 1.00 1.00 C ATOM 309 C ARG A 219 -6.561 5.576 -7.503 1.00 1.00 C ATOM 310 O ARG A 219 -7.029 5.571 -8.625 1.00 1.00 O ATOM 311 CB ARG A 219 -6.667 7.736 -6.251 1.00 1.00 C ATOM 312 CG ARG A 219 -7.790 8.765 -6.380 1.00 1.00 C ATOM 313 CD ARG A 219 -7.508 9.951 -5.456 1.00 1.00 C ATOM 314 NE ARG A 219 -8.732 10.796 -5.529 1.00 1.00 N ATOM 315 CZ ARG A 219 -9.570 10.819 -4.528 1.00 1.00 C ATOM 316 NH1 ARG A 219 -9.214 11.349 -3.390 1.00 1.00 N ATOM 317 NH2 ARG A 219 -10.766 10.315 -4.665 1.00 1.00 N ATOM 0 H ARG A 219 -6.540 6.297 -4.347 1.00 1.00 H new ATOM 0 HA ARG A 219 -8.315 6.330 -6.567 1.00 1.00 H new ATOM 0 HB2 ARG A 219 -6.158 7.857 -5.295 1.00 1.00 H new ATOM 0 HB3 ARG A 219 -5.923 7.896 -7.031 1.00 1.00 H new ATOM 0 HG2 ARG A 219 -7.868 9.106 -7.412 1.00 1.00 H new ATOM 0 HG3 ARG A 219 -8.746 8.309 -6.122 1.00 1.00 H new ATOM 0 HD2 ARG A 219 -7.318 9.619 -4.435 1.00 1.00 H new ATOM 0 HD3 ARG A 219 -6.627 10.504 -5.781 1.00 1.00 H new ATOM 0 HE ARG A 219 -8.916 11.357 -6.361 1.00 1.00 H new ATOM 0 HH11 ARG A 219 -8.281 11.746 -3.282 1.00 1.00 H new ATOM 0 HH12 ARG A 219 -9.869 11.367 -2.608 1.00 1.00 H new ATOM 0 HH21 ARG A 219 -11.047 9.903 -5.555 1.00 1.00 H new ATOM 0 HH22 ARG A 219 -11.420 10.333 -3.882 1.00 1.00 H new ATOM 331 N THR A 220 -5.447 4.960 -7.230 1.00 1.00 N ATOM 332 CA THR A 220 -4.718 4.229 -8.302 1.00 1.00 C ATOM 333 C THR A 220 -5.170 2.765 -8.366 1.00 1.00 C ATOM 334 O THR A 220 -4.714 2.001 -9.193 1.00 1.00 O ATOM 335 CB THR A 220 -3.245 4.329 -7.902 1.00 1.00 C ATOM 336 OG1 THR A 220 -2.991 3.457 -6.811 1.00 1.00 O ATOM 337 CG2 THR A 220 -2.928 5.770 -7.495 1.00 1.00 C ATOM 0 H THR A 220 -5.009 4.931 -6.309 1.00 1.00 H new ATOM 0 HA THR A 220 -4.906 4.648 -9.291 1.00 1.00 H new ATOM 0 HB THR A 220 -2.616 4.043 -8.745 1.00 1.00 H new ATOM 0 HG1 THR A 220 -2.089 3.084 -6.894 1.00 1.00 H new ATOM 0 HG21 THR A 220 -1.879 5.845 -7.209 1.00 1.00 H new ATOM 0 HG22 THR A 220 -3.124 6.437 -8.335 1.00 1.00 H new ATOM 0 HG23 THR A 220 -3.555 6.056 -6.651 1.00 1.00 H new ATOM 345 N GLY A 221 -6.070 2.373 -7.505 1.00 1.00 N ATOM 346 CA GLY A 221 -6.559 0.966 -7.524 1.00 1.00 C ATOM 347 C GLY A 221 -5.410 0.001 -7.225 1.00 1.00 C ATOM 348 O GLY A 221 -5.365 -1.099 -7.738 1.00 1.00 O ATOM 0 H GLY A 221 -6.488 2.967 -6.789 1.00 1.00 H new ATOM 0 HA2 GLY A 221 -7.351 0.839 -6.786 1.00 1.00 H new ATOM 0 HA3 GLY A 221 -6.991 0.737 -8.498 1.00 1.00 H new ATOM 352 N HIS A 222 -4.482 0.396 -6.395 1.00 1.00 N ATOM 353 CA HIS A 222 -3.347 -0.515 -6.065 1.00 1.00 C ATOM 354 C HIS A 222 -3.700 -1.362 -4.840 1.00 1.00 C ATOM 355 O HIS A 222 -4.851 -1.491 -4.475 1.00 1.00 O ATOM 356 CB HIS A 222 -2.166 0.409 -5.763 1.00 1.00 C ATOM 357 CG HIS A 222 -1.404 0.675 -7.031 1.00 1.00 C ATOM 358 ND1 HIS A 222 -0.954 1.941 -7.374 1.00 1.00 N ATOM 359 CD2 HIS A 222 -1.004 -0.153 -8.052 1.00 1.00 C ATOM 360 CE1 HIS A 222 -0.316 1.838 -8.555 1.00 1.00 C ATOM 361 NE2 HIS A 222 -0.318 0.584 -9.012 1.00 1.00 N ATOM 0 H HIS A 222 -4.460 1.305 -5.933 1.00 1.00 H new ATOM 0 HA HIS A 222 -3.118 -1.206 -6.876 1.00 1.00 H new ATOM 0 HB2 HIS A 222 -2.523 1.346 -5.337 1.00 1.00 H new ATOM 0 HB3 HIS A 222 -1.512 -0.049 -5.022 1.00 1.00 H new ATOM 0 HD2 HIS A 222 -1.193 -1.215 -8.102 1.00 1.00 H new ATOM 0 HE1 HIS A 222 0.142 2.669 -9.070 1.00 1.00 H new ATOM 0 HE2 HIS A 222 0.095 0.240 -9.879 1.00 1.00 H new ATOM 369 N TYR A 223 -2.724 -1.948 -4.205 1.00 1.00 N ATOM 370 CA TYR A 223 -3.010 -2.787 -3.010 1.00 1.00 C ATOM 371 C TYR A 223 -1.908 -2.618 -1.961 1.00 1.00 C ATOM 372 O TYR A 223 -1.207 -3.555 -1.633 1.00 1.00 O ATOM 373 CB TYR A 223 -3.025 -4.219 -3.539 1.00 1.00 C ATOM 374 CG TYR A 223 -4.427 -4.599 -3.944 1.00 1.00 C ATOM 375 CD1 TYR A 223 -5.472 -4.509 -3.018 1.00 1.00 C ATOM 376 CD2 TYR A 223 -4.684 -5.048 -5.245 1.00 1.00 C ATOM 377 CE1 TYR A 223 -6.773 -4.866 -3.390 1.00 1.00 C ATOM 378 CE2 TYR A 223 -5.986 -5.405 -5.620 1.00 1.00 C ATOM 379 CZ TYR A 223 -7.031 -5.315 -4.690 1.00 1.00 C ATOM 380 OH TYR A 223 -8.313 -5.672 -5.057 1.00 1.00 O ATOM 0 H TYR A 223 -1.739 -1.882 -4.463 1.00 1.00 H new ATOM 0 HA TYR A 223 -3.948 -2.513 -2.527 1.00 1.00 H new ATOM 0 HB2 TYR A 223 -2.353 -4.308 -4.393 1.00 1.00 H new ATOM 0 HB3 TYR A 223 -2.660 -4.903 -2.773 1.00 1.00 H new ATOM 0 HD1 TYR A 223 -5.274 -4.163 -2.014 1.00 1.00 H new ATOM 0 HD2 TYR A 223 -3.878 -5.119 -5.960 1.00 1.00 H new ATOM 0 HE1 TYR A 223 -7.578 -4.795 -2.674 1.00 1.00 H new ATOM 0 HE2 TYR A 223 -6.184 -5.749 -6.624 1.00 1.00 H new ATOM 0 HH TYR A 223 -8.439 -5.500 -6.013 1.00 1.00 H new ATOM 390 N LEU A 224 -1.748 -1.437 -1.429 1.00 1.00 N ATOM 391 CA LEU A 224 -0.686 -1.229 -0.401 1.00 1.00 C ATOM 392 C LEU A 224 -0.840 -2.256 0.725 1.00 1.00 C ATOM 393 O LEU A 224 -1.796 -3.002 0.770 1.00 1.00 O ATOM 394 CB LEU A 224 -0.907 0.188 0.131 1.00 1.00 C ATOM 395 CG LEU A 224 0.231 1.096 -0.341 1.00 1.00 C ATOM 396 CD1 LEU A 224 0.172 1.237 -1.864 1.00 1.00 C ATOM 397 CD2 LEU A 224 0.080 2.473 0.306 1.00 1.00 C ATOM 0 H LEU A 224 -2.302 -0.612 -1.659 1.00 1.00 H new ATOM 0 HA LEU A 224 0.315 -1.351 -0.814 1.00 1.00 H new ATOM 0 HB2 LEU A 224 -1.864 0.574 -0.220 1.00 1.00 H new ATOM 0 HB3 LEU A 224 -0.949 0.176 1.220 1.00 1.00 H new ATOM 0 HG LEU A 224 1.189 0.662 -0.055 1.00 1.00 H new ATOM 0 HD11 LEU A 224 0.982 1.884 -2.201 1.00 1.00 H new ATOM 0 HD12 LEU A 224 0.276 0.255 -2.325 1.00 1.00 H new ATOM 0 HD13 LEU A 224 -0.784 1.673 -2.152 1.00 1.00 H new ATOM 0 HD21 LEU A 224 0.889 3.123 -0.028 1.00 1.00 H new ATOM 0 HD22 LEU A 224 -0.877 2.908 0.017 1.00 1.00 H new ATOM 0 HD23 LEU A 224 0.120 2.372 1.391 1.00 1.00 H new ATOM 409 N CYS A 225 0.092 -2.298 1.637 1.00 1.00 N ATOM 410 CA CYS A 225 -0.006 -3.275 2.759 1.00 1.00 C ATOM 411 C CYS A 225 -0.374 -2.548 4.052 1.00 1.00 C ATOM 412 O CYS A 225 0.111 -2.872 5.119 1.00 1.00 O ATOM 413 CB CYS A 225 1.385 -3.901 2.870 1.00 1.00 C ATOM 414 SG CYS A 225 2.553 -2.672 3.499 1.00 1.00 S ATOM 0 H CYS A 225 0.917 -1.698 1.654 1.00 1.00 H new ATOM 0 HA CYS A 225 -0.774 -4.029 2.585 1.00 1.00 H new ATOM 0 HB2 CYS A 225 1.355 -4.763 3.536 1.00 1.00 H new ATOM 0 HB3 CYS A 225 1.711 -4.262 1.895 1.00 1.00 H new ATOM 419 N ASN A 226 -1.228 -1.563 3.967 1.00 1.00 N ATOM 420 CA ASN A 226 -1.629 -0.808 5.190 1.00 1.00 C ATOM 421 C ASN A 226 -0.459 0.039 5.699 1.00 1.00 C ATOM 422 O ASN A 226 -0.568 1.240 5.844 1.00 1.00 O ATOM 423 CB ASN A 226 -2.005 -1.878 6.217 1.00 1.00 C ATOM 424 CG ASN A 226 -2.996 -1.293 7.225 1.00 1.00 C ATOM 425 OD1 ASN A 226 -3.829 -0.481 6.874 1.00 1.00 O ATOM 426 ND2 ASN A 226 -2.938 -1.671 8.471 1.00 1.00 N ATOM 0 H ASN A 226 -1.666 -1.248 3.101 1.00 1.00 H new ATOM 0 HA ASN A 226 -2.455 -0.123 4.997 1.00 1.00 H new ATOM 0 HB2 ASN A 226 -2.446 -2.739 5.715 1.00 1.00 H new ATOM 0 HB3 ASN A 226 -1.112 -2.232 6.732 1.00 1.00 H new ATOM 0 HD21 ASN A 226 -3.592 -1.285 9.152 1.00 1.00 H new ATOM 0 HD22 ASN A 226 -2.239 -2.353 8.765 1.00 1.00 H new ATOM 433 N ALA A 227 0.658 -0.578 5.974 1.00 1.00 N ATOM 434 CA ALA A 227 1.832 0.193 6.477 1.00 1.00 C ATOM 435 C ALA A 227 2.230 1.276 5.470 1.00 1.00 C ATOM 436 O ALA A 227 2.589 2.377 5.838 1.00 1.00 O ATOM 437 CB ALA A 227 2.951 -0.839 6.623 1.00 1.00 C ATOM 0 H ALA A 227 0.809 -1.582 5.872 1.00 1.00 H new ATOM 0 HA ALA A 227 1.618 0.700 7.418 1.00 1.00 H new ATOM 0 HB1 ALA A 227 3.853 -0.349 6.990 1.00 1.00 H new ATOM 0 HB2 ALA A 227 2.644 -1.611 7.329 1.00 1.00 H new ATOM 0 HB3 ALA A 227 3.155 -1.294 5.654 1.00 1.00 H new ATOM 443 N CYS A 228 2.172 0.971 4.206 1.00 1.00 N ATOM 444 CA CYS A 228 2.549 1.981 3.178 1.00 1.00 C ATOM 445 C CYS A 228 1.428 3.010 3.001 1.00 1.00 C ATOM 446 O CYS A 228 1.658 4.126 2.582 1.00 1.00 O ATOM 447 CB CYS A 228 2.753 1.185 1.896 1.00 1.00 C ATOM 448 SG CYS A 228 4.315 0.272 1.991 1.00 1.00 S ATOM 0 H CYS A 228 1.880 0.066 3.838 1.00 1.00 H new ATOM 0 HA CYS A 228 3.443 2.537 3.459 1.00 1.00 H new ATOM 0 HB2 CYS A 228 1.924 0.493 1.750 1.00 1.00 H new ATOM 0 HB3 CYS A 228 2.764 1.856 1.037 1.00 1.00 H new ATOM 453 N GLY A 229 0.217 2.640 3.318 1.00 1.00 N ATOM 454 CA GLY A 229 -0.918 3.598 3.168 1.00 1.00 C ATOM 455 C GLY A 229 -0.943 4.557 4.359 1.00 1.00 C ATOM 456 O GLY A 229 -1.489 5.639 4.284 1.00 1.00 O ATOM 0 H GLY A 229 -0.036 1.718 3.674 1.00 1.00 H new ATOM 0 HA2 GLY A 229 -0.813 4.159 2.239 1.00 1.00 H new ATOM 0 HA3 GLY A 229 -1.860 3.054 3.107 1.00 1.00 H new ATOM 460 N LEU A 230 -0.355 4.171 5.459 1.00 1.00 N ATOM 461 CA LEU A 230 -0.349 5.067 6.651 1.00 1.00 C ATOM 462 C LEU A 230 -0.036 6.505 6.232 1.00 1.00 C ATOM 463 O LEU A 230 -0.715 7.437 6.617 1.00 1.00 O ATOM 464 CB LEU A 230 0.749 4.520 7.556 1.00 1.00 C ATOM 465 CG LEU A 230 0.165 4.208 8.935 1.00 1.00 C ATOM 466 CD1 LEU A 230 1.248 3.589 9.822 1.00 1.00 C ATOM 467 CD2 LEU A 230 -0.342 5.500 9.577 1.00 1.00 C ATOM 0 H LEU A 230 0.120 3.277 5.584 1.00 1.00 H new ATOM 0 HA LEU A 230 -1.316 5.088 7.154 1.00 1.00 H new ATOM 0 HB2 LEU A 230 1.180 3.619 7.119 1.00 1.00 H new ATOM 0 HB3 LEU A 230 1.556 5.247 7.647 1.00 1.00 H new ATOM 0 HG LEU A 230 -0.661 3.505 8.828 1.00 1.00 H new ATOM 0 HD11 LEU A 230 0.831 3.367 10.804 1.00 1.00 H new ATOM 0 HD12 LEU A 230 1.610 2.668 9.365 1.00 1.00 H new ATOM 0 HD13 LEU A 230 2.075 4.290 9.929 1.00 1.00 H new ATOM 0 HD21 LEU A 230 -0.758 5.279 10.560 1.00 1.00 H new ATOM 0 HD22 LEU A 230 0.485 6.202 9.683 1.00 1.00 H new ATOM 0 HD23 LEU A 230 -1.114 5.941 8.947 1.00 1.00 H new ATOM 479 N TYR A 231 0.988 6.694 5.446 1.00 1.00 N ATOM 480 CA TYR A 231 1.341 8.073 5.004 1.00 1.00 C ATOM 481 C TYR A 231 0.171 8.699 4.241 1.00 1.00 C ATOM 482 O TYR A 231 -0.232 9.813 4.508 1.00 1.00 O ATOM 483 CB TYR A 231 2.549 7.897 4.082 1.00 1.00 C ATOM 484 CG TYR A 231 3.413 9.133 4.142 1.00 1.00 C ATOM 485 CD1 TYR A 231 3.885 9.597 5.377 1.00 1.00 C ATOM 486 CD2 TYR A 231 3.741 9.817 2.966 1.00 1.00 C ATOM 487 CE1 TYR A 231 4.686 10.744 5.433 1.00 1.00 C ATOM 488 CE2 TYR A 231 4.541 10.965 3.022 1.00 1.00 C ATOM 489 CZ TYR A 231 5.014 11.427 4.256 1.00 1.00 C ATOM 490 OH TYR A 231 5.802 12.559 4.312 1.00 1.00 O ATOM 0 H TYR A 231 1.595 5.955 5.091 1.00 1.00 H new ATOM 0 HA TYR A 231 1.562 8.732 5.844 1.00 1.00 H new ATOM 0 HB2 TYR A 231 3.126 7.022 4.384 1.00 1.00 H new ATOM 0 HB3 TYR A 231 2.216 7.722 3.059 1.00 1.00 H new ATOM 0 HD1 TYR A 231 3.631 9.070 6.285 1.00 1.00 H new ATOM 0 HD2 TYR A 231 3.377 9.459 2.014 1.00 1.00 H new ATOM 0 HE1 TYR A 231 5.051 11.102 6.384 1.00 1.00 H new ATOM 0 HE2 TYR A 231 4.793 11.493 2.114 1.00 1.00 H new ATOM 0 HH TYR A 231 5.935 12.910 3.407 1.00 1.00 H new ATOM 500 N HIS A 232 -0.375 7.990 3.293 1.00 1.00 N ATOM 501 CA HIS A 232 -1.517 8.541 2.511 1.00 1.00 C ATOM 502 C HIS A 232 -2.698 8.849 3.437 1.00 1.00 C ATOM 503 O HIS A 232 -3.585 9.607 3.096 1.00 1.00 O ATOM 504 CB HIS A 232 -1.886 7.436 1.521 1.00 1.00 C ATOM 505 CG HIS A 232 -2.514 8.046 0.299 1.00 1.00 C ATOM 506 ND1 HIS A 232 -2.036 8.937 -0.630 1.00 1.00 N flip ATOM 507 CD2 HIS A 232 -3.809 7.750 -0.093 1.00 1.00 C flip ATOM 508 CE1 HIS A 232 -3.018 9.191 -1.585 1.00 1.00 C flip ATOM 509 NE2 HIS A 232 -4.066 8.451 -1.212 1.00 1.00 N flip ATOM 0 H HIS A 232 -0.079 7.051 3.025 1.00 1.00 H new ATOM 0 HA HIS A 232 -1.260 9.473 2.007 1.00 1.00 H new ATOM 0 HB2 HIS A 232 -0.996 6.871 1.242 1.00 1.00 H new ATOM 0 HB3 HIS A 232 -2.577 6.733 1.986 1.00 1.00 H new ATOM 0 HD1 HIS A 232 -1.103 9.350 -0.622 1.00 1.00 H new ATOM 0 HD2 HIS A 232 -4.489 7.078 0.409 1.00 1.00 H new ATOM 0 HE1 HIS A 232 -2.947 9.845 -2.442 1.00 1.00 H new ATOM 517 N LYS A 233 -2.719 8.266 4.603 1.00 1.00 N ATOM 518 CA LYS A 233 -3.845 8.526 5.545 1.00 1.00 C ATOM 519 C LYS A 233 -3.648 9.870 6.251 1.00 1.00 C ATOM 520 O LYS A 233 -4.552 10.677 6.333 1.00 1.00 O ATOM 521 CB LYS A 233 -3.790 7.377 6.553 1.00 1.00 C ATOM 522 CG LYS A 233 -3.752 6.044 5.802 1.00 1.00 C ATOM 523 CD LYS A 233 -5.062 5.291 6.031 1.00 1.00 C ATOM 524 CE LYS A 233 -5.918 5.353 4.763 1.00 1.00 C ATOM 525 NZ LYS A 233 -5.746 4.022 4.118 1.00 1.00 N ATOM 0 H LYS A 233 -2.006 7.621 4.945 1.00 1.00 H new ATOM 0 HA LYS A 233 -4.807 8.576 5.034 1.00 1.00 H new ATOM 0 HB2 LYS A 233 -2.908 7.476 7.186 1.00 1.00 H new ATOM 0 HB3 LYS A 233 -4.659 7.413 7.210 1.00 1.00 H new ATOM 0 HG2 LYS A 233 -3.603 6.219 4.737 1.00 1.00 H new ATOM 0 HG3 LYS A 233 -2.910 5.444 6.148 1.00 1.00 H new ATOM 0 HD2 LYS A 233 -4.856 4.253 6.292 1.00 1.00 H new ATOM 0 HD3 LYS A 233 -5.603 5.729 6.869 1.00 1.00 H new ATOM 0 HE2 LYS A 233 -6.964 5.544 5.002 1.00 1.00 H new ATOM 0 HE3 LYS A 233 -5.590 6.157 4.104 1.00 1.00 H new ATOM 0 HZ1 LYS A 233 -6.303 3.987 3.241 1.00 1.00 H new ATOM 0 HZ2 LYS A 233 -4.741 3.871 3.896 1.00 1.00 H new ATOM 0 HZ3 LYS A 233 -6.073 3.277 4.766 1.00 1.00 H new ATOM 539 N MET A 234 -2.472 10.118 6.762 1.00 1.00 N ATOM 540 CA MET A 234 -2.222 11.411 7.462 1.00 1.00 C ATOM 541 C MET A 234 -1.632 12.436 6.492 1.00 1.00 C ATOM 542 O MET A 234 -2.213 13.472 6.238 1.00 1.00 O ATOM 543 CB MET A 234 -1.219 11.076 8.566 1.00 1.00 C ATOM 544 CG MET A 234 -1.967 10.568 9.799 1.00 1.00 C ATOM 545 SD MET A 234 -1.560 11.608 11.223 1.00 1.00 S ATOM 546 CE MET A 234 -2.423 10.625 12.474 1.00 1.00 C ATOM 0 H MET A 234 -1.675 9.482 6.725 1.00 1.00 H new ATOM 0 HA MET A 234 -3.138 11.847 7.861 1.00 1.00 H new ATOM 0 HB2 MET A 234 -0.517 10.319 8.216 1.00 1.00 H new ATOM 0 HB3 MET A 234 -0.634 11.960 8.821 1.00 1.00 H new ATOM 0 HG2 MET A 234 -3.042 10.585 9.618 1.00 1.00 H new ATOM 0 HG3 MET A 234 -1.694 9.532 10.002 1.00 1.00 H new ATOM 0 HE1 MET A 234 -2.302 11.093 13.451 1.00 1.00 H new ATOM 0 HE2 MET A 234 -3.483 10.571 12.226 1.00 1.00 H new ATOM 0 HE3 MET A 234 -2.004 9.619 12.499 1.00 1.00 H new ATOM 556 N ASN A 235 -0.481 12.155 5.954 1.00 1.00 N ATOM 557 CA ASN A 235 0.155 13.111 5.002 1.00 1.00 C ATOM 558 C ASN A 235 -0.631 13.155 3.690 1.00 1.00 C ATOM 559 O ASN A 235 -0.762 14.189 3.065 1.00 1.00 O ATOM 560 CB ASN A 235 1.561 12.564 4.766 1.00 1.00 C ATOM 561 CG ASN A 235 2.505 13.091 5.848 1.00 1.00 C ATOM 562 OD1 ASN A 235 3.149 14.107 5.666 1.00 1.00 O ATOM 563 ND2 ASN A 235 2.616 12.442 6.974 1.00 1.00 N ATOM 0 H ASN A 235 0.050 11.303 6.131 1.00 1.00 H new ATOM 0 HA ASN A 235 0.175 14.128 5.394 1.00 1.00 H new ATOM 0 HB2 ASN A 235 1.546 11.474 4.782 1.00 1.00 H new ATOM 0 HB3 ASN A 235 1.918 12.863 3.781 1.00 1.00 H new ATOM 0 HD21 ASN A 235 3.243 12.786 7.702 1.00 1.00 H new ATOM 0 HD22 ASN A 235 2.076 11.590 7.127 1.00 1.00 H new ATOM 570 N GLY A 236 -1.156 12.039 3.270 1.00 1.00 N ATOM 571 CA GLY A 236 -1.935 12.009 2.005 1.00 1.00 C ATOM 572 C GLY A 236 -0.990 11.813 0.816 1.00 1.00 C ATOM 573 O GLY A 236 -1.405 11.437 -0.262 1.00 1.00 O ATOM 0 H GLY A 236 -1.078 11.143 3.752 1.00 1.00 H new ATOM 0 HA2 GLY A 236 -2.666 11.201 2.037 1.00 1.00 H new ATOM 0 HA3 GLY A 236 -2.492 12.939 1.889 1.00 1.00 H new ATOM 577 N GLN A 237 0.278 12.063 1.000 1.00 1.00 N ATOM 578 CA GLN A 237 1.244 11.887 -0.122 1.00 1.00 C ATOM 579 C GLN A 237 1.608 10.408 -0.280 1.00 1.00 C ATOM 580 O GLN A 237 1.149 9.566 0.465 1.00 1.00 O ATOM 581 CB GLN A 237 2.474 12.703 0.282 1.00 1.00 C ATOM 582 CG GLN A 237 2.094 14.179 0.400 1.00 1.00 C ATOM 583 CD GLN A 237 3.238 14.952 1.063 1.00 1.00 C ATOM 584 OE1 GLN A 237 4.256 14.380 1.400 1.00 1.00 O ATOM 585 NE2 GLN A 237 3.112 16.233 1.266 1.00 1.00 N ATOM 0 H GLN A 237 0.687 12.381 1.879 1.00 1.00 H new ATOM 0 HA GLN A 237 0.833 12.216 -1.076 1.00 1.00 H new ATOM 0 HB2 GLN A 237 2.867 12.341 1.232 1.00 1.00 H new ATOM 0 HB3 GLN A 237 3.265 12.579 -0.458 1.00 1.00 H new ATOM 0 HG2 GLN A 237 1.887 14.592 -0.587 1.00 1.00 H new ATOM 0 HG3 GLN A 237 1.182 14.284 0.987 1.00 1.00 H new ATOM 0 HE21 GLN A 237 2.257 16.713 0.983 1.00 1.00 H new ATOM 0 HE22 GLN A 237 3.868 16.756 1.708 1.00 1.00 H new ATOM 594 N ASN A 238 2.427 10.087 -1.244 1.00 1.00 N ATOM 595 CA ASN A 238 2.819 8.662 -1.446 1.00 1.00 C ATOM 596 C ASN A 238 4.062 8.334 -0.614 1.00 1.00 C ATOM 597 O ASN A 238 4.974 9.129 -0.502 1.00 1.00 O ATOM 598 CB ASN A 238 3.124 8.544 -2.939 1.00 1.00 C ATOM 599 CG ASN A 238 1.813 8.483 -3.726 1.00 1.00 C ATOM 600 OD1 ASN A 238 1.286 9.500 -4.131 1.00 1.00 O ATOM 601 ND2 ASN A 238 1.260 7.324 -3.962 1.00 1.00 N ATOM 0 H ASN A 238 2.842 10.749 -1.900 1.00 1.00 H new ATOM 0 HA ASN A 238 2.037 7.969 -1.135 1.00 1.00 H new ATOM 0 HB2 ASN A 238 3.718 9.397 -3.268 1.00 1.00 H new ATOM 0 HB3 ASN A 238 3.717 7.650 -3.130 1.00 1.00 H new ATOM 0 HD21 ASN A 238 0.386 7.273 -4.486 1.00 1.00 H new ATOM 0 HD22 ASN A 238 1.702 6.470 -3.622 1.00 1.00 H new ATOM 608 N ARG A 239 4.104 7.168 -0.029 1.00 1.00 N ATOM 609 CA ARG A 239 5.288 6.789 0.796 1.00 1.00 C ATOM 610 C ARG A 239 6.411 6.259 -0.101 1.00 1.00 C ATOM 611 O ARG A 239 6.183 5.419 -0.949 1.00 1.00 O ATOM 612 CB ARG A 239 4.783 5.688 1.729 1.00 1.00 C ATOM 613 CG ARG A 239 5.956 5.115 2.526 1.00 1.00 C ATOM 614 CD ARG A 239 5.803 5.491 4.002 1.00 1.00 C ATOM 615 NE ARG A 239 6.464 4.384 4.748 1.00 1.00 N ATOM 616 CZ ARG A 239 7.175 4.646 5.810 1.00 1.00 C ATOM 617 NH1 ARG A 239 7.978 5.675 5.819 1.00 1.00 N ATOM 618 NH2 ARG A 239 7.084 3.881 6.863 1.00 1.00 N ATOM 0 H ARG A 239 3.371 6.461 -0.086 1.00 1.00 H new ATOM 0 HA ARG A 239 5.696 7.636 1.347 1.00 1.00 H new ATOM 0 HB2 ARG A 239 4.030 6.089 2.408 1.00 1.00 H new ATOM 0 HB3 ARG A 239 4.303 4.899 1.151 1.00 1.00 H new ATOM 0 HG2 ARG A 239 5.988 4.031 2.417 1.00 1.00 H new ATOM 0 HG3 ARG A 239 6.898 5.502 2.137 1.00 1.00 H new ATOM 0 HD2 ARG A 239 6.275 6.450 4.217 1.00 1.00 H new ATOM 0 HD3 ARG A 239 4.753 5.583 4.280 1.00 1.00 H new ATOM 0 HE ARG A 239 6.361 3.421 4.428 1.00 1.00 H new ATOM 0 HH11 ARG A 239 8.049 6.274 4.996 1.00 1.00 H new ATOM 0 HH12 ARG A 239 8.534 5.881 6.649 1.00 1.00 H new ATOM 0 HH21 ARG A 239 6.456 3.077 6.857 1.00 1.00 H new ATOM 0 HH22 ARG A 239 7.640 4.087 7.693 1.00 1.00 H new ATOM 632 N PRO A 240 7.591 6.771 0.119 1.00 1.00 N ATOM 633 CA PRO A 240 8.768 6.344 -0.680 1.00 1.00 C ATOM 634 C PRO A 240 9.204 4.937 -0.269 1.00 1.00 C ATOM 635 O PRO A 240 8.591 4.305 0.568 1.00 1.00 O ATOM 636 CB PRO A 240 9.838 7.372 -0.320 1.00 1.00 C ATOM 637 CG PRO A 240 9.444 7.883 1.029 1.00 1.00 C ATOM 638 CD PRO A 240 7.943 7.786 1.119 1.00 1.00 C ATOM 0 HA PRO A 240 8.569 6.302 -1.751 1.00 1.00 H new ATOM 0 HB2 PRO A 240 10.829 6.919 -0.297 1.00 1.00 H new ATOM 0 HB3 PRO A 240 9.873 8.178 -1.053 1.00 1.00 H new ATOM 0 HG2 PRO A 240 9.916 7.295 1.816 1.00 1.00 H new ATOM 0 HG3 PRO A 240 9.772 8.914 1.161 1.00 1.00 H new ATOM 0 HD2 PRO A 240 7.622 7.490 2.118 1.00 1.00 H new ATOM 0 HD3 PRO A 240 7.468 8.742 0.901 1.00 1.00 H new ATOM 646 N LEU A 241 10.260 4.440 -0.853 1.00 1.00 N ATOM 647 CA LEU A 241 10.735 3.078 -0.500 1.00 1.00 C ATOM 648 C LEU A 241 12.043 3.159 0.296 1.00 1.00 C ATOM 649 O LEU A 241 12.035 3.369 1.493 1.00 1.00 O ATOM 650 CB LEU A 241 10.951 2.375 -1.840 1.00 1.00 C ATOM 651 CG LEU A 241 9.643 1.724 -2.294 1.00 1.00 C ATOM 652 CD1 LEU A 241 9.233 0.646 -1.290 1.00 1.00 C ATOM 653 CD2 LEU A 241 8.546 2.790 -2.374 1.00 1.00 C ATOM 0 H LEU A 241 10.814 4.922 -1.561 1.00 1.00 H new ATOM 0 HA LEU A 241 10.024 2.540 0.127 1.00 1.00 H new ATOM 0 HB2 LEU A 241 11.291 3.092 -2.588 1.00 1.00 H new ATOM 0 HB3 LEU A 241 11.731 1.620 -1.744 1.00 1.00 H new ATOM 0 HG LEU A 241 9.784 1.271 -3.275 1.00 1.00 H new ATOM 0 HD11 LEU A 241 8.301 0.183 -1.614 1.00 1.00 H new ATOM 0 HD12 LEU A 241 10.014 -0.112 -1.231 1.00 1.00 H new ATOM 0 HD13 LEU A 241 9.091 1.098 -0.308 1.00 1.00 H new ATOM 0 HD21 LEU A 241 7.613 2.328 -2.697 1.00 1.00 H new ATOM 0 HD22 LEU A 241 8.406 3.242 -1.392 1.00 1.00 H new ATOM 0 HD23 LEU A 241 8.837 3.559 -3.089 1.00 1.00 H new ATOM 665 N ILE A 242 13.165 2.994 -0.354 1.00 1.00 N ATOM 666 CA ILE A 242 14.462 3.060 0.372 1.00 1.00 C ATOM 667 C ILE A 242 15.039 4.478 0.302 1.00 1.00 C ATOM 668 O ILE A 242 14.986 5.227 1.258 1.00 1.00 O ATOM 669 CB ILE A 242 15.374 2.072 -0.354 1.00 1.00 C ATOM 670 CG1 ILE A 242 14.752 0.674 -0.302 1.00 1.00 C ATOM 671 CG2 ILE A 242 16.743 2.046 0.325 1.00 1.00 C ATOM 672 CD1 ILE A 242 14.986 -0.039 -1.635 1.00 1.00 C ATOM 0 H ILE A 242 13.237 2.817 -1.356 1.00 1.00 H new ATOM 0 HA ILE A 242 14.356 2.815 1.429 1.00 1.00 H new ATOM 0 HB ILE A 242 15.491 2.381 -1.393 1.00 1.00 H new ATOM 0 HG12 ILE A 242 15.192 0.099 0.512 1.00 1.00 H new ATOM 0 HG13 ILE A 242 13.684 0.747 -0.099 1.00 1.00 H new ATOM 0 HG21 ILE A 242 17.393 1.341 -0.193 1.00 1.00 H new ATOM 0 HG22 ILE A 242 17.186 3.041 0.289 1.00 1.00 H new ATOM 0 HG23 ILE A 242 16.628 1.737 1.364 1.00 1.00 H new ATOM 0 HD11 ILE A 242 14.543 -1.034 -1.598 1.00 1.00 H new ATOM 0 HD12 ILE A 242 14.525 0.534 -2.440 1.00 1.00 H new ATOM 0 HD13 ILE A 242 16.057 -0.125 -1.819 1.00 1.00 H new ATOM 684 N ARG A 243 15.590 4.850 -0.822 1.00 1.00 N ATOM 685 CA ARG A 243 16.169 6.218 -0.952 1.00 1.00 C ATOM 686 C ARG A 243 15.070 7.231 -1.284 1.00 1.00 C ATOM 687 O ARG A 243 14.396 7.038 -2.281 1.00 1.00 O ATOM 688 CB ARG A 243 17.168 6.117 -2.099 1.00 1.00 C ATOM 689 CG ARG A 243 18.542 6.591 -1.623 1.00 1.00 C ATOM 690 CD ARG A 243 19.473 6.754 -2.827 1.00 1.00 C ATOM 691 NE ARG A 243 20.812 6.323 -2.340 1.00 1.00 N ATOM 692 CZ ARG A 243 21.870 7.025 -2.637 1.00 1.00 C ATOM 693 NH1 ARG A 243 22.536 6.771 -3.731 1.00 1.00 N ATOM 694 NH2 ARG A 243 22.263 7.981 -1.841 1.00 1.00 N ATOM 695 OXT ARG A 243 14.924 8.183 -0.535 1.00 0.00 O ATOM 0 H ARG A 243 15.664 4.266 -1.655 1.00 1.00 H new ATOM 0 HA ARG A 243 16.641 6.555 -0.029 1.00 1.00 H new ATOM 0 HB2 ARG A 243 17.229 5.088 -2.452 1.00 1.00 H new ATOM 0 HB3 ARG A 243 16.834 6.724 -2.941 1.00 1.00 H new ATOM 0 HG2 ARG A 243 18.448 7.538 -1.092 1.00 1.00 H new ATOM 0 HG3 ARG A 243 18.963 5.872 -0.920 1.00 1.00 H new ATOM 0 HD2 ARG A 243 19.143 6.142 -3.667 1.00 1.00 H new ATOM 0 HD3 ARG A 243 19.493 7.787 -3.173 1.00 1.00 H new ATOM 0 HE ARG A 243 20.902 5.479 -1.774 1.00 1.00 H new ATOM 0 HH11 ARG A 243 22.229 6.024 -4.353 1.00 1.00 H new ATOM 0 HH12 ARG A 243 23.364 7.320 -3.963 1.00 1.00 H new ATOM 0 HH21 ARG A 243 21.743 8.179 -0.986 1.00 1.00 H new ATOM 0 HH22 ARG A 243 23.091 8.530 -2.073 1.00 1.00 H new TER 709 ARG A 243 HETATM 710 ZN ZN A 244 3.786 -1.944 1.700 1.00 1.00 ZN