USER MOD reduce.3.24.130724 H: found=0, std=0, add=443, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 444 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 Single : A 198 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 214 SER OG : rot 180:sc= 0 USER MOD Single : A 215 LYS NZ :NH3+ 176:sc= 0.537 (180deg=0.437) USER MOD Single : A 221 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 224 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 231 LYS NZ :NH3+ -173:sc= 1.2 (180deg=1.06) USER MOD Single : A 232 LYS NZ :NH3+ -130:sc= -0.0209 (180deg=-0.494) USER MOD Single : A 240 MET CE :methyl -169:sc= -0.748 (180deg=-0.862) USER MOD Single : A 250 GLN : amide:sc= -0.929 K(o=-0.93,f=-0.034) USER MOD Single : A 251 ASN : amide:sc= -0.297 K(o=-0.3,f=-8.2!) USER MOD Single : A 254 TYR OH : rot 180:sc= 0 USER MOD Single : A 255 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00651) USER MOD Single : A 259 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 123 N ASP A 195 -6.227 -0.211 29.390 1.00 0.00 N ATOM 124 CA ASP A 195 -6.743 0.291 30.653 1.00 0.00 C ATOM 125 C ASP A 195 -8.222 0.013 30.824 1.00 0.00 C ATOM 126 O ASP A 195 -8.619 -0.988 31.425 1.00 0.00 O ATOM 127 CB ASP A 195 -6.383 1.769 30.828 1.00 0.00 C ATOM 128 CG ASP A 195 -4.895 1.931 31.093 1.00 0.00 C ATOM 129 OD1 ASP A 195 -4.485 1.773 32.265 1.00 0.00 O ATOM 130 OD2 ASP A 195 -4.144 2.172 30.121 1.00 0.00 O ATOM 0 HA ASP A 195 -6.257 -0.258 31.460 1.00 0.00 H new ATOM 0 HB2 ASP A 195 -6.661 2.325 29.932 1.00 0.00 H new ATOM 0 HB3 ASP A 195 -6.953 2.192 31.655 1.00 0.00 H new ATOM 135 N ALA A 196 -9.030 0.897 30.263 1.00 0.00 N ATOM 136 CA ALA A 196 -10.477 0.821 30.306 1.00 0.00 C ATOM 137 C ALA A 196 -11.149 1.301 29.017 1.00 0.00 C ATOM 138 O ALA A 196 -12.366 1.508 29.013 1.00 0.00 O ATOM 139 CB ALA A 196 -10.978 1.583 31.534 1.00 0.00 C ATOM 0 H ALA A 196 -8.686 1.709 29.751 1.00 0.00 H new ATOM 0 HA ALA A 196 -10.758 -0.229 30.390 1.00 0.00 H new ATOM 0 HB1 ALA A 196 -12.066 1.532 31.575 1.00 0.00 H new ATOM 0 HB2 ALA A 196 -10.559 1.136 32.436 1.00 0.00 H new ATOM 0 HB3 ALA A 196 -10.666 2.625 31.468 1.00 0.00 H new ATOM 145 N ALA A 197 -10.395 1.476 27.931 1.00 0.00 N ATOM 146 CA ALA A 197 -10.879 1.915 26.627 1.00 0.00 C ATOM 147 C ALA A 197 -9.964 1.325 25.556 1.00 0.00 C ATOM 148 O ALA A 197 -8.744 1.376 25.707 1.00 0.00 O ATOM 149 CB ALA A 197 -10.853 3.446 26.554 1.00 0.00 C ATOM 0 H ALA A 197 -9.389 1.308 27.939 1.00 0.00 H new ATOM 0 HA ALA A 197 -11.904 1.578 26.470 1.00 0.00 H new ATOM 0 HB1 ALA A 197 -11.215 3.770 25.578 1.00 0.00 H new ATOM 0 HB2 ALA A 197 -11.493 3.858 27.334 1.00 0.00 H new ATOM 0 HB3 ALA A 197 -9.832 3.800 26.698 1.00 0.00 H new ATOM 155 N LYS A 198 -10.538 0.772 24.482 1.00 0.00 N ATOM 156 CA LYS A 198 -9.806 0.183 23.362 1.00 0.00 C ATOM 157 C LYS A 198 -10.458 0.637 22.048 1.00 0.00 C ATOM 158 O LYS A 198 -11.156 -0.163 21.422 1.00 0.00 O ATOM 159 CB LYS A 198 -9.702 -1.347 23.549 1.00 0.00 C ATOM 160 CG LYS A 198 -11.036 -2.110 23.651 1.00 0.00 C ATOM 161 CD LYS A 198 -10.912 -3.531 24.203 1.00 0.00 C ATOM 162 CE LYS A 198 -10.999 -3.510 25.728 1.00 0.00 C ATOM 163 NZ LYS A 198 -11.036 -4.863 26.313 1.00 0.00 N ATOM 0 H LYS A 198 -11.550 0.722 24.367 1.00 0.00 H new ATOM 0 HA LYS A 198 -8.775 0.534 23.324 1.00 0.00 H new ATOM 0 HB2 LYS A 198 -9.135 -1.757 22.713 1.00 0.00 H new ATOM 0 HB3 LYS A 198 -9.124 -1.544 24.452 1.00 0.00 H new ATOM 0 HG2 LYS A 198 -11.716 -1.544 24.288 1.00 0.00 H new ATOM 0 HG3 LYS A 198 -11.490 -2.156 22.661 1.00 0.00 H new ATOM 0 HD2 LYS A 198 -11.704 -4.159 23.794 1.00 0.00 H new ATOM 0 HD3 LYS A 198 -9.964 -3.970 23.891 1.00 0.00 H new ATOM 0 HE2 LYS A 198 -10.143 -2.968 26.130 1.00 0.00 H new ATOM 0 HE3 LYS A 198 -11.892 -2.963 26.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 198 -11.095 -4.792 27.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 198 -11.867 -5.374 25.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 198 -10.172 -5.379 26.050 1.00 0.00 H new ATOM 177 N PRO A 199 -10.313 1.917 21.653 1.00 0.00 N ATOM 178 CA PRO A 199 -11.058 2.514 20.548 1.00 0.00 C ATOM 179 C PRO A 199 -10.518 2.049 19.183 1.00 0.00 C ATOM 180 O PRO A 199 -9.927 2.815 18.426 1.00 0.00 O ATOM 181 CB PRO A 199 -10.985 4.024 20.796 1.00 0.00 C ATOM 182 CG PRO A 199 -9.600 4.186 21.420 1.00 0.00 C ATOM 183 CD PRO A 199 -9.488 2.936 22.296 1.00 0.00 C ATOM 0 HA PRO A 199 -12.101 2.199 20.511 1.00 0.00 H new ATOM 0 HB2 PRO A 199 -11.083 4.593 19.871 1.00 0.00 H new ATOM 0 HB3 PRO A 199 -11.775 4.365 21.465 1.00 0.00 H new ATOM 0 HG2 PRO A 199 -8.816 4.224 20.664 1.00 0.00 H new ATOM 0 HG3 PRO A 199 -9.523 5.102 22.006 1.00 0.00 H new ATOM 0 HD2 PRO A 199 -8.452 2.606 22.375 1.00 0.00 H new ATOM 0 HD3 PRO A 199 -9.836 3.137 23.309 1.00 0.00 H new ATOM 191 N GLU A 200 -10.697 0.762 18.898 1.00 0.00 N ATOM 192 CA GLU A 200 -10.430 0.058 17.647 1.00 0.00 C ATOM 193 C GLU A 200 -11.056 -1.346 17.721 1.00 0.00 C ATOM 194 O GLU A 200 -11.402 -1.943 16.695 1.00 0.00 O ATOM 195 CB GLU A 200 -8.909 -0.053 17.432 1.00 0.00 C ATOM 196 CG GLU A 200 -8.536 -0.912 16.214 1.00 0.00 C ATOM 197 CD GLU A 200 -7.051 -0.795 15.906 1.00 0.00 C ATOM 198 OE1 GLU A 200 -6.236 -1.210 16.764 1.00 0.00 O ATOM 199 OE2 GLU A 200 -6.700 -0.234 14.844 1.00 0.00 O ATOM 0 H GLU A 200 -11.068 0.126 19.604 1.00 0.00 H new ATOM 0 HA GLU A 200 -10.865 0.606 16.811 1.00 0.00 H new ATOM 0 HB2 GLU A 200 -8.491 0.946 17.307 1.00 0.00 H new ATOM 0 HB3 GLU A 200 -8.452 -0.480 18.325 1.00 0.00 H new ATOM 0 HG2 GLU A 200 -8.791 -1.954 16.406 1.00 0.00 H new ATOM 0 HG3 GLU A 200 -9.118 -0.596 15.348 1.00 0.00 H new ATOM 206 N ASP A 201 -11.188 -1.888 18.935 1.00 0.00 N ATOM 207 CA ASP A 201 -11.513 -3.285 19.213 1.00 0.00 C ATOM 208 C ASP A 201 -12.811 -3.450 20.001 1.00 0.00 C ATOM 209 O ASP A 201 -13.400 -4.533 19.985 1.00 0.00 O ATOM 210 CB ASP A 201 -10.342 -3.877 19.992 1.00 0.00 C ATOM 211 CG ASP A 201 -10.620 -5.288 20.498 1.00 0.00 C ATOM 212 OD1 ASP A 201 -10.513 -6.259 19.720 1.00 0.00 O ATOM 213 OD2 ASP A 201 -10.876 -5.462 21.714 1.00 0.00 O ATOM 0 H ASP A 201 -11.065 -1.339 19.786 1.00 0.00 H new ATOM 0 HA ASP A 201 -11.671 -3.805 18.268 1.00 0.00 H new ATOM 0 HB2 ASP A 201 -9.458 -3.893 19.354 1.00 0.00 H new ATOM 0 HB3 ASP A 201 -10.112 -3.231 20.839 1.00 0.00 H new ATOM 218 N TRP A 202 -13.257 -2.402 20.699 1.00 0.00 N ATOM 219 CA TRP A 202 -14.409 -2.504 21.581 1.00 0.00 C ATOM 220 C TRP A 202 -15.732 -2.657 20.830 1.00 0.00 C ATOM 221 O TRP A 202 -16.671 -3.181 21.435 1.00 0.00 O ATOM 222 CB TRP A 202 -14.487 -1.336 22.577 1.00 0.00 C ATOM 223 CG TRP A 202 -14.747 0.038 22.043 1.00 0.00 C ATOM 224 CD1 TRP A 202 -14.140 0.616 20.984 1.00 0.00 C ATOM 225 CD2 TRP A 202 -15.680 1.042 22.543 1.00 0.00 C ATOM 226 NE1 TRP A 202 -14.619 1.889 20.800 1.00 0.00 N ATOM 227 CE2 TRP A 202 -15.553 2.214 21.748 1.00 0.00 C ATOM 228 CE3 TRP A 202 -16.614 1.092 23.597 1.00 0.00 C ATOM 229 CZ2 TRP A 202 -16.289 3.374 21.993 1.00 0.00 C ATOM 230 CZ3 TRP A 202 -17.426 2.223 23.802 1.00 0.00 C ATOM 231 CH2 TRP A 202 -17.273 3.362 22.995 1.00 0.00 C ATOM 0 H TRP A 202 -12.833 -1.475 20.666 1.00 0.00 H new ATOM 0 HA TRP A 202 -14.253 -3.423 22.147 1.00 0.00 H new ATOM 0 HB2 TRP A 202 -15.272 -1.566 23.298 1.00 0.00 H new ATOM 0 HB3 TRP A 202 -13.547 -1.306 23.128 1.00 0.00 H new ATOM 0 HD1 TRP A 202 -13.386 0.145 20.371 1.00 0.00 H new ATOM 0 HE1 TRP A 202 -14.318 2.514 20.052 1.00 0.00 H new ATOM 0 HE3 TRP A 202 -16.709 0.245 24.261 1.00 0.00 H new ATOM 0 HZ2 TRP A 202 -16.104 4.270 21.419 1.00 0.00 H new ATOM 0 HZ3 TRP A 202 -18.171 2.215 24.584 1.00 0.00 H new ATOM 0 HH2 TRP A 202 -17.908 4.223 23.144 1.00 0.00 H new ATOM 242 N ASP A 203 -15.800 -2.248 19.558 1.00 0.00 N ATOM 243 CA ASP A 203 -16.982 -2.337 18.688 1.00 0.00 C ATOM 244 C ASP A 203 -18.184 -1.684 19.382 1.00 0.00 C ATOM 245 O ASP A 203 -19.168 -2.339 19.707 1.00 0.00 O ATOM 246 CB ASP A 203 -17.193 -3.811 18.295 1.00 0.00 C ATOM 247 CG ASP A 203 -18.230 -4.068 17.200 1.00 0.00 C ATOM 248 OD1 ASP A 203 -19.051 -3.195 16.859 1.00 0.00 O ATOM 249 OD2 ASP A 203 -18.207 -5.215 16.684 1.00 0.00 O ATOM 0 H ASP A 203 -15.000 -1.828 19.085 1.00 0.00 H new ATOM 0 HA ASP A 203 -16.845 -1.783 17.760 1.00 0.00 H new ATOM 0 HB2 ASP A 203 -16.237 -4.220 17.967 1.00 0.00 H new ATOM 0 HB3 ASP A 203 -17.488 -4.366 19.186 1.00 0.00 H new ATOM 254 N GLU A 204 -18.038 -0.408 19.768 1.00 0.00 N ATOM 255 CA GLU A 204 -18.978 0.385 20.567 1.00 0.00 C ATOM 256 C GLU A 204 -19.489 -0.314 21.845 1.00 0.00 C ATOM 257 O GLU A 204 -20.545 0.005 22.398 1.00 0.00 O ATOM 258 CB GLU A 204 -20.073 0.936 19.648 1.00 0.00 C ATOM 259 CG GLU A 204 -20.468 2.356 20.074 1.00 0.00 C ATOM 260 CD GLU A 204 -19.605 3.469 19.461 1.00 0.00 C ATOM 261 OE1 GLU A 204 -18.387 3.546 19.741 1.00 0.00 O ATOM 262 OE2 GLU A 204 -20.155 4.358 18.774 1.00 0.00 O ATOM 0 H GLU A 204 -17.209 0.129 19.514 1.00 0.00 H new ATOM 0 HA GLU A 204 -18.437 1.232 20.990 1.00 0.00 H new ATOM 0 HB2 GLU A 204 -19.720 0.944 18.617 1.00 0.00 H new ATOM 0 HB3 GLU A 204 -20.946 0.284 19.681 1.00 0.00 H new ATOM 0 HG2 GLU A 204 -21.509 2.528 19.799 1.00 0.00 H new ATOM 0 HG3 GLU A 204 -20.410 2.425 21.160 1.00 0.00 H new ATOM 269 N ARG A 205 -18.680 -1.249 22.348 1.00 0.00 N ATOM 270 CA ARG A 205 -18.822 -2.130 23.498 1.00 0.00 C ATOM 271 C ARG A 205 -19.811 -3.278 23.265 1.00 0.00 C ATOM 272 O ARG A 205 -20.269 -3.915 24.215 1.00 0.00 O ATOM 273 CB ARG A 205 -19.134 -1.298 24.732 1.00 0.00 C ATOM 274 CG ARG A 205 -18.261 -1.703 25.915 1.00 0.00 C ATOM 275 CD ARG A 205 -18.356 -3.159 26.370 1.00 0.00 C ATOM 276 NE ARG A 205 -17.570 -3.358 27.595 1.00 0.00 N ATOM 277 CZ ARG A 205 -16.303 -3.777 27.690 1.00 0.00 C ATOM 278 NH1 ARG A 205 -15.563 -4.076 26.628 1.00 0.00 N ATOM 279 NH2 ARG A 205 -15.752 -3.889 28.888 1.00 0.00 N ATOM 0 H ARG A 205 -17.786 -1.425 21.889 1.00 0.00 H new ATOM 0 HA ARG A 205 -17.872 -2.639 23.663 1.00 0.00 H new ATOM 0 HB2 ARG A 205 -18.979 -0.242 24.509 1.00 0.00 H new ATOM 0 HB3 ARG A 205 -20.185 -1.417 24.996 1.00 0.00 H new ATOM 0 HG2 ARG A 205 -17.222 -1.493 25.659 1.00 0.00 H new ATOM 0 HG3 ARG A 205 -18.516 -1.065 26.761 1.00 0.00 H new ATOM 0 HD2 ARG A 205 -19.398 -3.425 26.550 1.00 0.00 H new ATOM 0 HD3 ARG A 205 -17.990 -3.819 25.583 1.00 0.00 H new ATOM 0 HE ARG A 205 -18.045 -3.153 28.474 1.00 0.00 H new ATOM 0 HH11 ARG A 205 -15.957 -3.990 25.691 1.00 0.00 H new ATOM 0 HH12 ARG A 205 -14.601 -4.392 26.749 1.00 0.00 H new ATOM 0 HH21 ARG A 205 -16.292 -3.657 29.722 1.00 0.00 H new ATOM 0 HH22 ARG A 205 -14.787 -4.207 28.978 1.00 0.00 H new ATOM 293 N ALA A 206 -20.103 -3.534 21.998 1.00 0.00 N ATOM 294 CA ALA A 206 -21.313 -4.103 21.422 1.00 0.00 C ATOM 295 C ALA A 206 -22.558 -3.377 21.936 1.00 0.00 C ATOM 296 O ALA A 206 -22.646 -2.989 23.106 1.00 0.00 O ATOM 297 CB ALA A 206 -21.389 -5.620 21.636 1.00 0.00 C ATOM 0 H ALA A 206 -19.422 -3.325 21.268 1.00 0.00 H new ATOM 0 HA ALA A 206 -21.273 -3.950 20.344 1.00 0.00 H new ATOM 0 HB1 ALA A 206 -22.307 -6.005 21.191 1.00 0.00 H new ATOM 0 HB2 ALA A 206 -20.530 -6.097 21.165 1.00 0.00 H new ATOM 0 HB3 ALA A 206 -21.385 -5.837 22.704 1.00 0.00 H new ATOM 408 N SER A 214 -24.293 4.303 9.369 1.00 0.00 N ATOM 409 CA SER A 214 -23.308 5.349 9.103 1.00 0.00 C ATOM 410 C SER A 214 -21.866 4.824 9.207 1.00 0.00 C ATOM 411 O SER A 214 -21.079 5.273 10.042 1.00 0.00 O ATOM 412 CB SER A 214 -23.603 6.518 10.059 1.00 0.00 C ATOM 413 OG SER A 214 -24.566 7.373 9.463 1.00 0.00 O ATOM 0 HA SER A 214 -23.393 5.700 8.075 1.00 0.00 H new ATOM 0 HB2 SER A 214 -23.974 6.140 11.012 1.00 0.00 H new ATOM 0 HB3 SER A 214 -22.688 7.071 10.270 1.00 0.00 H new ATOM 0 HG SER A 214 -24.760 8.119 10.068 1.00 0.00 H new ATOM 419 N LYS A 215 -21.490 3.951 8.264 1.00 0.00 N ATOM 420 CA LYS A 215 -20.137 3.416 8.068 1.00 0.00 C ATOM 421 C LYS A 215 -19.665 2.565 9.260 1.00 0.00 C ATOM 422 O LYS A 215 -19.180 3.109 10.255 1.00 0.00 O ATOM 423 CB LYS A 215 -19.139 4.540 7.747 1.00 0.00 C ATOM 424 CG LYS A 215 -18.324 4.259 6.494 1.00 0.00 C ATOM 425 CD LYS A 215 -17.469 5.510 6.215 1.00 0.00 C ATOM 426 CE LYS A 215 -16.666 5.459 4.912 1.00 0.00 C ATOM 427 NZ LYS A 215 -15.959 6.732 4.686 1.00 0.00 N ATOM 0 H LYS A 215 -22.154 3.581 7.584 1.00 0.00 H new ATOM 0 HA LYS A 215 -20.179 2.748 7.208 1.00 0.00 H new ATOM 0 HB2 LYS A 215 -19.681 5.477 7.621 1.00 0.00 H new ATOM 0 HB3 LYS A 215 -18.464 4.674 8.592 1.00 0.00 H new ATOM 0 HG2 LYS A 215 -17.690 3.384 6.636 1.00 0.00 H new ATOM 0 HG3 LYS A 215 -18.979 4.045 5.649 1.00 0.00 H new ATOM 0 HD2 LYS A 215 -18.123 6.382 6.189 1.00 0.00 H new ATOM 0 HD3 LYS A 215 -16.778 5.654 7.046 1.00 0.00 H new ATOM 0 HE2 LYS A 215 -15.947 4.641 4.954 1.00 0.00 H new ATOM 0 HE3 LYS A 215 -17.334 5.255 4.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 215 -15.367 6.654 3.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 215 -16.653 7.496 4.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 215 -15.357 6.945 5.507 1.00 0.00 H new ATOM 441 N PRO A 216 -19.780 1.232 9.186 1.00 0.00 N ATOM 442 CA PRO A 216 -19.278 0.367 10.231 1.00 0.00 C ATOM 443 C PRO A 216 -17.751 0.352 10.175 1.00 0.00 C ATOM 444 O PRO A 216 -17.132 0.650 9.145 1.00 0.00 O ATOM 445 CB PRO A 216 -19.880 -1.009 9.932 1.00 0.00 C ATOM 446 CG PRO A 216 -20.054 -1.014 8.412 1.00 0.00 C ATOM 447 CD PRO A 216 -20.163 0.462 8.023 1.00 0.00 C ATOM 0 HA PRO A 216 -19.551 0.693 11.235 1.00 0.00 H new ATOM 0 HB2 PRO A 216 -19.222 -1.813 10.261 1.00 0.00 H new ATOM 0 HB3 PRO A 216 -20.833 -1.148 10.443 1.00 0.00 H new ATOM 0 HG2 PRO A 216 -19.207 -1.491 7.919 1.00 0.00 H new ATOM 0 HG3 PRO A 216 -20.946 -1.567 8.118 1.00 0.00 H new ATOM 0 HD2 PRO A 216 -19.512 0.688 7.179 1.00 0.00 H new ATOM 0 HD3 PRO A 216 -21.180 0.706 7.716 1.00 0.00 H new ATOM 455 N GLU A 217 -17.157 -0.126 11.258 1.00 0.00 N ATOM 456 CA GLU A 217 -15.732 -0.196 11.540 1.00 0.00 C ATOM 457 C GLU A 217 -15.032 -1.322 10.768 1.00 0.00 C ATOM 458 O GLU A 217 -13.982 -1.824 11.185 1.00 0.00 O ATOM 459 CB GLU A 217 -15.502 -0.262 13.061 1.00 0.00 C ATOM 460 CG GLU A 217 -16.393 -1.217 13.873 1.00 0.00 C ATOM 461 CD GLU A 217 -17.655 -0.486 14.357 1.00 0.00 C ATOM 462 OE1 GLU A 217 -17.605 0.140 15.441 1.00 0.00 O ATOM 463 OE2 GLU A 217 -18.649 -0.449 13.589 1.00 0.00 O ATOM 0 H GLU A 217 -17.707 -0.507 12.028 1.00 0.00 H new ATOM 0 HA GLU A 217 -15.263 0.718 11.175 1.00 0.00 H new ATOM 0 HB2 GLU A 217 -14.463 -0.544 13.232 1.00 0.00 H new ATOM 0 HB3 GLU A 217 -15.630 0.742 13.464 1.00 0.00 H new ATOM 0 HG2 GLU A 217 -16.673 -2.074 13.260 1.00 0.00 H new ATOM 0 HG3 GLU A 217 -15.838 -1.604 14.728 1.00 0.00 H new ATOM 470 N ASP A 218 -15.597 -1.707 9.625 1.00 0.00 N ATOM 471 CA ASP A 218 -14.955 -2.552 8.629 1.00 0.00 C ATOM 472 C ASP A 218 -14.986 -1.942 7.220 1.00 0.00 C ATOM 473 O ASP A 218 -14.219 -2.373 6.352 1.00 0.00 O ATOM 474 CB ASP A 218 -15.600 -3.942 8.633 1.00 0.00 C ATOM 475 CG ASP A 218 -14.861 -4.873 7.676 1.00 0.00 C ATOM 476 OD1 ASP A 218 -13.677 -5.202 7.942 1.00 0.00 O ATOM 477 OD2 ASP A 218 -15.411 -5.254 6.619 1.00 0.00 O ATOM 0 H ASP A 218 -16.543 -1.429 9.362 1.00 0.00 H new ATOM 0 HA ASP A 218 -13.904 -2.636 8.904 1.00 0.00 H new ATOM 0 HB2 ASP A 218 -15.581 -4.356 9.641 1.00 0.00 H new ATOM 0 HB3 ASP A 218 -16.647 -3.865 8.340 1.00 0.00 H new ATOM 482 N TRP A 219 -15.842 -0.939 6.962 1.00 0.00 N ATOM 483 CA TRP A 219 -15.974 -0.384 5.617 1.00 0.00 C ATOM 484 C TRP A 219 -14.877 0.641 5.360 1.00 0.00 C ATOM 485 O TRP A 219 -14.336 0.717 4.252 1.00 0.00 O ATOM 486 CB TRP A 219 -17.354 0.267 5.442 1.00 0.00 C ATOM 487 CG TRP A 219 -17.662 0.804 4.070 1.00 0.00 C ATOM 488 CD1 TRP A 219 -17.057 1.856 3.465 1.00 0.00 C ATOM 489 CD2 TRP A 219 -18.654 0.327 3.112 1.00 0.00 C ATOM 490 NE1 TRP A 219 -17.573 2.031 2.197 1.00 0.00 N ATOM 491 CE2 TRP A 219 -18.570 1.129 1.937 1.00 0.00 C ATOM 492 CE3 TRP A 219 -19.625 -0.697 3.112 1.00 0.00 C ATOM 493 CZ2 TRP A 219 -19.391 0.932 0.824 1.00 0.00 C ATOM 494 CZ3 TRP A 219 -20.466 -0.903 2.003 1.00 0.00 C ATOM 495 CH2 TRP A 219 -20.343 -0.091 0.864 1.00 0.00 C ATOM 0 H TRP A 219 -16.443 -0.505 7.662 1.00 0.00 H new ATOM 0 HA TRP A 219 -15.874 -1.195 4.895 1.00 0.00 H new ATOM 0 HB2 TRP A 219 -18.116 -0.468 5.702 1.00 0.00 H new ATOM 0 HB3 TRP A 219 -17.442 1.084 6.158 1.00 0.00 H new ATOM 0 HD1 TRP A 219 -16.285 2.467 3.910 1.00 0.00 H new ATOM 0 HE1 TRP A 219 -17.253 2.741 1.538 1.00 0.00 H new ATOM 0 HE3 TRP A 219 -19.724 -1.334 3.979 1.00 0.00 H new ATOM 0 HZ2 TRP A 219 -19.292 1.558 -0.051 1.00 0.00 H new ATOM 0 HZ3 TRP A 219 -21.208 -1.687 2.028 1.00 0.00 H new ATOM 0 HH2 TRP A 219 -20.988 -0.258 0.014 1.00 0.00 H new ATOM 506 N ASP A 220 -14.603 1.499 6.347 1.00 0.00 N ATOM 507 CA ASP A 220 -13.773 2.664 6.130 1.00 0.00 C ATOM 508 C ASP A 220 -12.324 2.247 6.245 1.00 0.00 C ATOM 509 O ASP A 220 -11.808 2.002 7.334 1.00 0.00 O ATOM 510 CB ASP A 220 -14.125 3.866 7.017 1.00 0.00 C ATOM 511 CG ASP A 220 -13.747 5.178 6.314 1.00 0.00 C ATOM 512 OD1 ASP A 220 -13.300 5.153 5.144 1.00 0.00 O ATOM 513 OD2 ASP A 220 -14.100 6.267 6.819 1.00 0.00 O ATOM 0 H ASP A 220 -14.949 1.399 7.301 1.00 0.00 H new ATOM 0 HA ASP A 220 -13.967 3.037 5.124 1.00 0.00 H new ATOM 0 HB2 ASP A 220 -15.192 3.860 7.242 1.00 0.00 H new ATOM 0 HB3 ASP A 220 -13.598 3.791 7.968 1.00 0.00 H new ATOM 518 N LYS A 221 -11.723 2.032 5.088 1.00 0.00 N ATOM 519 CA LYS A 221 -10.373 1.528 4.924 1.00 0.00 C ATOM 520 C LYS A 221 -9.493 2.638 4.363 1.00 0.00 C ATOM 521 O LYS A 221 -9.963 3.392 3.503 1.00 0.00 O ATOM 522 CB LYS A 221 -10.426 0.323 3.977 1.00 0.00 C ATOM 523 CG LYS A 221 -11.101 -0.894 4.642 1.00 0.00 C ATOM 524 CD LYS A 221 -10.166 -1.582 5.645 1.00 0.00 C ATOM 525 CE LYS A 221 -10.854 -2.832 6.194 1.00 0.00 C ATOM 526 NZ LYS A 221 -9.918 -3.702 6.932 1.00 0.00 N ATOM 0 H LYS A 221 -12.185 2.213 4.197 1.00 0.00 H new ATOM 0 HA LYS A 221 -9.949 1.211 5.877 1.00 0.00 H new ATOM 0 HB2 LYS A 221 -10.972 0.594 3.073 1.00 0.00 H new ATOM 0 HB3 LYS A 221 -9.415 0.056 3.670 1.00 0.00 H new ATOM 0 HG2 LYS A 221 -12.009 -0.573 5.152 1.00 0.00 H new ATOM 0 HG3 LYS A 221 -11.401 -1.608 3.875 1.00 0.00 H new ATOM 0 HD2 LYS A 221 -9.228 -1.851 5.160 1.00 0.00 H new ATOM 0 HD3 LYS A 221 -9.920 -0.900 6.459 1.00 0.00 H new ATOM 0 HE2 LYS A 221 -11.670 -2.536 6.854 1.00 0.00 H new ATOM 0 HE3 LYS A 221 -11.297 -3.393 5.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 221 -10.426 -4.537 7.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 221 -9.153 -4.006 6.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 221 -9.514 -3.177 7.734 1.00 0.00 H new ATOM 540 N PRO A 222 -8.205 2.672 4.734 1.00 0.00 N ATOM 541 CA PRO A 222 -7.317 3.787 4.451 1.00 0.00 C ATOM 542 C PRO A 222 -7.065 3.901 2.951 1.00 0.00 C ATOM 543 O PRO A 222 -6.763 2.906 2.288 1.00 0.00 O ATOM 544 CB PRO A 222 -6.039 3.481 5.242 1.00 0.00 C ATOM 545 CG PRO A 222 -6.026 1.959 5.348 1.00 0.00 C ATOM 546 CD PRO A 222 -7.505 1.622 5.459 1.00 0.00 C ATOM 0 HA PRO A 222 -7.735 4.750 4.746 1.00 0.00 H new ATOM 0 HB2 PRO A 222 -5.153 3.853 4.728 1.00 0.00 H new ATOM 0 HB3 PRO A 222 -6.057 3.950 6.226 1.00 0.00 H new ATOM 0 HG2 PRO A 222 -5.569 1.496 4.474 1.00 0.00 H new ATOM 0 HG3 PRO A 222 -5.466 1.618 6.219 1.00 0.00 H new ATOM 0 HD2 PRO A 222 -7.716 0.643 5.030 1.00 0.00 H new ATOM 0 HD3 PRO A 222 -7.822 1.588 6.501 1.00 0.00 H new ATOM 554 N GLU A 223 -7.225 5.098 2.393 1.00 0.00 N ATOM 555 CA GLU A 223 -7.160 5.313 0.948 1.00 0.00 C ATOM 556 C GLU A 223 -5.770 4.992 0.416 1.00 0.00 C ATOM 557 O GLU A 223 -5.650 4.350 -0.626 1.00 0.00 O ATOM 558 CB GLU A 223 -7.509 6.754 0.556 1.00 0.00 C ATOM 559 CG GLU A 223 -8.710 7.330 1.303 1.00 0.00 C ATOM 560 CD GLU A 223 -8.276 8.114 2.540 1.00 0.00 C ATOM 561 OE1 GLU A 223 -8.075 7.513 3.624 1.00 0.00 O ATOM 562 OE2 GLU A 223 -8.108 9.347 2.415 1.00 0.00 O ATOM 0 H GLU A 223 -7.403 5.947 2.929 1.00 0.00 H new ATOM 0 HA GLU A 223 -7.898 4.643 0.507 1.00 0.00 H new ATOM 0 HB2 GLU A 223 -6.642 7.389 0.739 1.00 0.00 H new ATOM 0 HB3 GLU A 223 -7.710 6.789 -0.515 1.00 0.00 H new ATOM 0 HG2 GLU A 223 -9.275 7.982 0.637 1.00 0.00 H new ATOM 0 HG3 GLU A 223 -9.378 6.521 1.599 1.00 0.00 H new ATOM 569 N HIS A 224 -4.742 5.448 1.133 1.00 0.00 N ATOM 570 CA HIS A 224 -3.339 5.169 0.848 1.00 0.00 C ATOM 571 C HIS A 224 -2.880 3.981 1.696 1.00 0.00 C ATOM 572 O HIS A 224 -3.063 4.000 2.917 1.00 0.00 O ATOM 573 CB HIS A 224 -2.467 6.411 1.103 1.00 0.00 C ATOM 574 CG HIS A 224 -3.020 7.643 0.442 1.00 0.00 C ATOM 575 ND1 HIS A 224 -3.888 8.547 1.005 1.00 0.00 N ATOM 576 CD2 HIS A 224 -2.850 7.987 -0.868 1.00 0.00 C ATOM 577 CE1 HIS A 224 -4.256 9.410 0.051 1.00 0.00 C ATOM 578 NE2 HIS A 224 -3.639 9.122 -1.116 1.00 0.00 N ATOM 0 H HIS A 224 -4.870 6.040 1.954 1.00 0.00 H new ATOM 0 HA HIS A 224 -3.229 4.913 -0.206 1.00 0.00 H new ATOM 0 HB2 HIS A 224 -2.388 6.582 2.177 1.00 0.00 H new ATOM 0 HB3 HIS A 224 -1.458 6.226 0.734 1.00 0.00 H new ATOM 0 HD2 HIS A 224 -2.222 7.478 -1.584 1.00 0.00 H new ATOM 0 HE1 HIS A 224 -4.951 10.225 0.194 1.00 0.00 H new ATOM 0 HE2 HIS A 224 -3.728 9.626 -1.998 1.00 0.00 H new ATOM 586 N ILE A 225 -2.243 2.987 1.077 1.00 0.00 N ATOM 587 CA ILE A 225 -1.589 1.847 1.727 1.00 0.00 C ATOM 588 C ILE A 225 -0.199 1.647 1.100 1.00 0.00 C ATOM 589 O ILE A 225 -0.020 2.039 -0.052 1.00 0.00 O ATOM 590 CB ILE A 225 -2.455 0.579 1.582 1.00 0.00 C ATOM 591 CG1 ILE A 225 -2.734 0.228 0.098 1.00 0.00 C ATOM 592 CG2 ILE A 225 -3.760 0.749 2.382 1.00 0.00 C ATOM 593 CD1 ILE A 225 -3.365 -1.151 -0.104 1.00 0.00 C ATOM 0 H ILE A 225 -2.164 2.951 0.061 1.00 0.00 H new ATOM 0 HA ILE A 225 -1.472 2.044 2.793 1.00 0.00 H new ATOM 0 HB ILE A 225 -1.899 -0.264 1.992 1.00 0.00 H new ATOM 0 HG12 ILE A 225 -3.394 0.985 -0.326 1.00 0.00 H new ATOM 0 HG13 ILE A 225 -1.798 0.274 -0.458 1.00 0.00 H new ATOM 0 HG21 ILE A 225 -4.370 -0.148 2.278 1.00 0.00 H new ATOM 0 HG22 ILE A 225 -3.524 0.907 3.434 1.00 0.00 H new ATOM 0 HG23 ILE A 225 -4.311 1.609 2.001 1.00 0.00 H new ATOM 0 HD11 ILE A 225 -3.530 -1.323 -1.168 1.00 0.00 H new ATOM 0 HD12 ILE A 225 -2.697 -1.918 0.289 1.00 0.00 H new ATOM 0 HD13 ILE A 225 -4.318 -1.196 0.423 1.00 0.00 H new ATOM 605 N PRO A 226 0.792 1.071 1.799 1.00 0.00 N ATOM 606 CA PRO A 226 2.112 0.864 1.220 1.00 0.00 C ATOM 607 C PRO A 226 2.023 -0.233 0.158 1.00 0.00 C ATOM 608 O PRO A 226 1.244 -1.171 0.332 1.00 0.00 O ATOM 609 CB PRO A 226 3.015 0.490 2.392 1.00 0.00 C ATOM 610 CG PRO A 226 2.065 -0.173 3.389 1.00 0.00 C ATOM 611 CD PRO A 226 0.698 0.461 3.113 1.00 0.00 C ATOM 0 HA PRO A 226 2.512 1.743 0.715 1.00 0.00 H new ATOM 0 HB2 PRO A 226 3.809 -0.190 2.084 1.00 0.00 H new ATOM 0 HB3 PRO A 226 3.496 1.368 2.822 1.00 0.00 H new ATOM 0 HG2 PRO A 226 2.035 -1.253 3.248 1.00 0.00 H new ATOM 0 HG3 PRO A 226 2.383 0.005 4.416 1.00 0.00 H new ATOM 0 HD2 PRO A 226 -0.092 -0.290 3.138 1.00 0.00 H new ATOM 0 HD3 PRO A 226 0.454 1.205 3.871 1.00 0.00 H new ATOM 619 N ASP A 227 2.799 -0.113 -0.923 1.00 0.00 N ATOM 620 CA ASP A 227 2.870 -1.043 -2.042 1.00 0.00 C ATOM 621 C ASP A 227 3.065 -2.512 -1.616 1.00 0.00 C ATOM 622 O ASP A 227 4.190 -2.964 -1.417 1.00 0.00 O ATOM 623 CB ASP A 227 3.938 -0.562 -3.041 1.00 0.00 C ATOM 624 CG ASP A 227 5.406 -0.558 -2.629 1.00 0.00 C ATOM 625 OD1 ASP A 227 5.722 -0.603 -1.429 1.00 0.00 O ATOM 626 OD2 ASP A 227 6.246 -0.395 -3.560 1.00 0.00 O ATOM 0 H ASP A 227 3.427 0.681 -1.043 1.00 0.00 H new ATOM 0 HA ASP A 227 1.900 -1.041 -2.539 1.00 0.00 H new ATOM 0 HB2 ASP A 227 3.851 -1.181 -3.934 1.00 0.00 H new ATOM 0 HB3 ASP A 227 3.678 0.456 -3.332 1.00 0.00 H new ATOM 631 N PRO A 228 2.000 -3.334 -1.520 1.00 0.00 N ATOM 632 CA PRO A 228 2.101 -4.654 -0.899 1.00 0.00 C ATOM 633 C PRO A 228 2.878 -5.644 -1.772 1.00 0.00 C ATOM 634 O PRO A 228 3.222 -6.745 -1.325 1.00 0.00 O ATOM 635 CB PRO A 228 0.653 -5.108 -0.692 1.00 0.00 C ATOM 636 CG PRO A 228 -0.082 -4.451 -1.855 1.00 0.00 C ATOM 637 CD PRO A 228 0.647 -3.116 -2.022 1.00 0.00 C ATOM 0 HA PRO A 228 2.655 -4.610 0.039 1.00 0.00 H new ATOM 0 HB2 PRO A 228 0.563 -6.194 -0.719 1.00 0.00 H new ATOM 0 HB3 PRO A 228 0.261 -4.780 0.271 1.00 0.00 H new ATOM 0 HG2 PRO A 228 -0.026 -5.056 -2.760 1.00 0.00 H new ATOM 0 HG3 PRO A 228 -1.139 -4.307 -1.633 1.00 0.00 H new ATOM 0 HD2 PRO A 228 0.663 -2.808 -3.067 1.00 0.00 H new ATOM 0 HD3 PRO A 228 0.146 -2.325 -1.464 1.00 0.00 H new ATOM 645 N ASP A 229 3.145 -5.283 -3.028 1.00 0.00 N ATOM 646 CA ASP A 229 3.957 -6.083 -3.916 1.00 0.00 C ATOM 647 C ASP A 229 5.429 -5.903 -3.588 1.00 0.00 C ATOM 648 O ASP A 229 6.163 -6.895 -3.616 1.00 0.00 O ATOM 649 CB ASP A 229 3.650 -5.742 -5.384 1.00 0.00 C ATOM 650 CG ASP A 229 2.555 -6.633 -5.979 1.00 0.00 C ATOM 651 OD1 ASP A 229 2.313 -7.747 -5.441 1.00 0.00 O ATOM 652 OD2 ASP A 229 1.927 -6.255 -6.983 1.00 0.00 O ATOM 0 H ASP A 229 2.798 -4.422 -3.450 1.00 0.00 H new ATOM 0 HA ASP A 229 3.713 -7.135 -3.770 1.00 0.00 H new ATOM 0 HB2 ASP A 229 3.342 -4.699 -5.454 1.00 0.00 H new ATOM 0 HB3 ASP A 229 4.560 -5.847 -5.975 1.00 0.00 H new ATOM 657 N ALA A 230 5.874 -4.690 -3.248 1.00 0.00 N ATOM 658 CA ALA A 230 7.264 -4.457 -2.916 1.00 0.00 C ATOM 659 C ALA A 230 7.563 -4.859 -1.481 1.00 0.00 C ATOM 660 O ALA A 230 6.675 -4.929 -0.627 1.00 0.00 O ATOM 661 CB ALA A 230 7.581 -2.989 -3.085 1.00 0.00 C ATOM 0 H ALA A 230 5.284 -3.860 -3.198 1.00 0.00 H new ATOM 0 HA ALA A 230 7.877 -5.062 -3.584 1.00 0.00 H new ATOM 0 HB1 ALA A 230 8.627 -2.812 -2.835 1.00 0.00 H new ATOM 0 HB2 ALA A 230 7.399 -2.694 -4.119 1.00 0.00 H new ATOM 0 HB3 ALA A 230 6.945 -2.401 -2.423 1.00 0.00 H new ATOM 667 N LYS A 231 8.842 -5.111 -1.200 1.00 0.00 N ATOM 668 CA LYS A 231 9.230 -5.662 0.091 1.00 0.00 C ATOM 669 C LYS A 231 10.690 -5.399 0.434 1.00 0.00 C ATOM 670 O LYS A 231 11.301 -6.223 1.110 1.00 0.00 O ATOM 671 CB LYS A 231 8.848 -7.165 0.081 1.00 0.00 C ATOM 672 CG LYS A 231 7.836 -7.567 1.147 1.00 0.00 C ATOM 673 CD LYS A 231 8.553 -7.607 2.487 1.00 0.00 C ATOM 674 CE LYS A 231 9.507 -8.804 2.613 1.00 0.00 C ATOM 675 NZ LYS A 231 10.891 -8.362 2.881 1.00 0.00 N ATOM 0 H LYS A 231 9.616 -4.944 -1.843 1.00 0.00 H new ATOM 0 HA LYS A 231 8.693 -5.159 0.895 1.00 0.00 H new ATOM 0 HB2 LYS A 231 8.444 -7.418 -0.899 1.00 0.00 H new ATOM 0 HB3 LYS A 231 9.753 -7.758 0.215 1.00 0.00 H new ATOM 0 HG2 LYS A 231 7.012 -6.854 1.177 1.00 0.00 H new ATOM 0 HG3 LYS A 231 7.406 -8.542 0.916 1.00 0.00 H new ATOM 0 HD2 LYS A 231 9.116 -6.683 2.621 1.00 0.00 H new ATOM 0 HD3 LYS A 231 7.815 -7.650 3.288 1.00 0.00 H new ATOM 0 HE2 LYS A 231 9.170 -9.457 3.417 1.00 0.00 H new ATOM 0 HE3 LYS A 231 9.482 -9.390 1.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 231 11.531 -9.181 2.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 231 11.178 -7.665 2.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 231 10.940 -7.928 3.825 1.00 0.00 H new ATOM 689 N LYS A 232 11.221 -4.243 0.024 1.00 0.00 N ATOM 690 CA LYS A 232 12.627 -3.893 -0.056 1.00 0.00 C ATOM 691 C LYS A 232 13.291 -4.795 -1.095 1.00 0.00 C ATOM 692 O LYS A 232 13.293 -6.015 -0.920 1.00 0.00 O ATOM 693 CB LYS A 232 13.309 -3.960 1.309 1.00 0.00 C ATOM 694 CG LYS A 232 14.748 -3.458 1.244 1.00 0.00 C ATOM 695 CD LYS A 232 15.520 -3.658 2.548 1.00 0.00 C ATOM 696 CE LYS A 232 14.866 -3.114 3.821 1.00 0.00 C ATOM 697 NZ LYS A 232 13.938 -4.077 4.447 1.00 0.00 N ATOM 0 H LYS A 232 10.626 -3.474 -0.282 1.00 0.00 H new ATOM 0 HA LYS A 232 12.731 -2.856 -0.374 1.00 0.00 H new ATOM 0 HB2 LYS A 232 12.747 -3.363 2.027 1.00 0.00 H new ATOM 0 HB3 LYS A 232 13.298 -4.988 1.672 1.00 0.00 H new ATOM 0 HG2 LYS A 232 15.269 -3.975 0.439 1.00 0.00 H new ATOM 0 HG3 LYS A 232 14.744 -2.398 0.992 1.00 0.00 H new ATOM 0 HD2 LYS A 232 15.691 -4.726 2.682 1.00 0.00 H new ATOM 0 HD3 LYS A 232 16.498 -3.189 2.440 1.00 0.00 H new ATOM 0 HE2 LYS A 232 15.643 -2.848 4.537 1.00 0.00 H new ATOM 0 HE3 LYS A 232 14.325 -2.198 3.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 232 13.030 -3.608 4.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 232 13.783 -4.879 3.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 232 14.346 -4.423 5.339 1.00 0.00 H new ATOM 711 N PRO A 233 13.827 -4.234 -2.186 1.00 0.00 N ATOM 712 CA PRO A 233 14.558 -5.033 -3.144 1.00 0.00 C ATOM 713 C PRO A 233 15.759 -5.673 -2.450 1.00 0.00 C ATOM 714 O PRO A 233 16.414 -5.060 -1.606 1.00 0.00 O ATOM 715 CB PRO A 233 14.961 -4.090 -4.281 1.00 0.00 C ATOM 716 CG PRO A 233 14.677 -2.674 -3.779 1.00 0.00 C ATOM 717 CD PRO A 233 13.813 -2.825 -2.537 1.00 0.00 C ATOM 0 HA PRO A 233 13.965 -5.851 -3.552 1.00 0.00 H new ATOM 0 HB2 PRO A 233 16.015 -4.210 -4.532 1.00 0.00 H new ATOM 0 HB3 PRO A 233 14.391 -4.304 -5.185 1.00 0.00 H new ATOM 0 HG2 PRO A 233 15.605 -2.151 -3.546 1.00 0.00 H new ATOM 0 HG3 PRO A 233 14.163 -2.087 -4.541 1.00 0.00 H new ATOM 0 HD2 PRO A 233 14.202 -2.219 -1.719 1.00 0.00 H new ATOM 0 HD3 PRO A 233 12.796 -2.485 -2.730 1.00 0.00 H new ATOM 725 N GLU A 234 16.114 -6.889 -2.846 1.00 0.00 N ATOM 726 CA GLU A 234 17.376 -7.506 -2.498 1.00 0.00 C ATOM 727 C GLU A 234 18.550 -6.734 -3.104 1.00 0.00 C ATOM 728 O GLU A 234 19.679 -6.834 -2.634 1.00 0.00 O ATOM 729 CB GLU A 234 17.326 -8.966 -2.949 1.00 0.00 C ATOM 730 CG GLU A 234 17.643 -9.237 -4.426 1.00 0.00 C ATOM 731 CD GLU A 234 17.314 -10.677 -4.822 1.00 0.00 C ATOM 732 OE1 GLU A 234 17.713 -11.633 -4.109 1.00 0.00 O ATOM 733 OE2 GLU A 234 16.690 -10.895 -5.881 1.00 0.00 O ATOM 0 H GLU A 234 15.519 -7.479 -3.427 1.00 0.00 H new ATOM 0 HA GLU A 234 17.535 -7.478 -1.420 1.00 0.00 H new ATOM 0 HB2 GLU A 234 18.027 -9.536 -2.339 1.00 0.00 H new ATOM 0 HB3 GLU A 234 16.330 -9.355 -2.737 1.00 0.00 H new ATOM 0 HG2 GLU A 234 17.075 -8.549 -5.052 1.00 0.00 H new ATOM 0 HG3 GLU A 234 18.699 -9.041 -4.613 1.00 0.00 H new ATOM 740 N ASP A 235 18.259 -5.933 -4.127 1.00 0.00 N ATOM 741 CA ASP A 235 19.165 -5.022 -4.798 1.00 0.00 C ATOM 742 C ASP A 235 19.098 -3.624 -4.151 1.00 0.00 C ATOM 743 O ASP A 235 19.549 -2.661 -4.771 1.00 0.00 O ATOM 744 CB ASP A 235 18.790 -4.918 -6.288 1.00 0.00 C ATOM 745 CG ASP A 235 18.459 -6.231 -7.003 1.00 0.00 C ATOM 746 OD1 ASP A 235 17.278 -6.655 -6.960 1.00 0.00 O ATOM 747 OD2 ASP A 235 19.281 -6.718 -7.811 1.00 0.00 O ATOM 0 H ASP A 235 17.322 -5.906 -4.530 1.00 0.00 H new ATOM 0 HA ASP A 235 20.180 -5.407 -4.703 1.00 0.00 H new ATOM 0 HB2 ASP A 235 17.930 -4.255 -6.378 1.00 0.00 H new ATOM 0 HB3 ASP A 235 19.616 -4.441 -6.815 1.00 0.00 H new ATOM 752 N TRP A 236 18.450 -3.454 -2.986 1.00 0.00 N ATOM 753 CA TRP A 236 18.550 -2.222 -2.201 1.00 0.00 C ATOM 754 C TRP A 236 19.890 -2.212 -1.493 1.00 0.00 C ATOM 755 O TRP A 236 20.424 -3.268 -1.130 1.00 0.00 O ATOM 756 CB TRP A 236 17.449 -2.118 -1.125 1.00 0.00 C ATOM 757 CG TRP A 236 17.368 -0.804 -0.399 1.00 0.00 C ATOM 758 CD1 TRP A 236 17.901 -0.509 0.815 1.00 0.00 C ATOM 759 CD2 TRP A 236 16.788 0.440 -0.883 1.00 0.00 C ATOM 760 NE1 TRP A 236 17.691 0.829 1.097 1.00 0.00 N ATOM 761 CE2 TRP A 236 17.045 1.469 0.066 1.00 0.00 C ATOM 762 CE3 TRP A 236 16.117 0.811 -2.065 1.00 0.00 C ATOM 763 CZ2 TRP A 236 16.690 2.805 -0.164 1.00 0.00 C ATOM 764 CZ3 TRP A 236 15.726 2.145 -2.291 1.00 0.00 C ATOM 765 CH2 TRP A 236 16.019 3.143 -1.348 1.00 0.00 C ATOM 0 H TRP A 236 17.848 -4.164 -2.569 1.00 0.00 H new ATOM 0 HA TRP A 236 18.438 -1.383 -2.888 1.00 0.00 H new ATOM 0 HB2 TRP A 236 16.486 -2.311 -1.597 1.00 0.00 H new ATOM 0 HB3 TRP A 236 17.608 -2.908 -0.391 1.00 0.00 H new ATOM 0 HD1 TRP A 236 18.410 -1.210 1.460 1.00 0.00 H new ATOM 0 HE1 TRP A 236 17.980 1.284 1.963 1.00 0.00 H new ATOM 0 HE3 TRP A 236 15.899 0.060 -2.810 1.00 0.00 H new ATOM 0 HZ2 TRP A 236 16.931 3.566 0.563 1.00 0.00 H new ATOM 0 HZ3 TRP A 236 15.197 2.402 -3.197 1.00 0.00 H new ATOM 0 HH2 TRP A 236 15.729 4.167 -1.534 1.00 0.00 H new ATOM 776 N ASP A 237 20.363 -1.012 -1.187 1.00 0.00 N ATOM 777 CA ASP A 237 21.522 -0.787 -0.355 1.00 0.00 C ATOM 778 C ASP A 237 21.282 0.405 0.569 1.00 0.00 C ATOM 779 O ASP A 237 20.911 1.491 0.103 1.00 0.00 O ATOM 780 CB ASP A 237 22.736 -0.541 -1.221 1.00 0.00 C ATOM 781 CG ASP A 237 23.928 -0.614 -0.270 1.00 0.00 C ATOM 782 OD1 ASP A 237 24.371 -1.752 0.011 1.00 0.00 O ATOM 783 OD2 ASP A 237 24.272 0.436 0.311 1.00 0.00 O ATOM 0 H ASP A 237 19.935 -0.149 -1.523 1.00 0.00 H new ATOM 0 HA ASP A 237 21.698 -1.672 0.256 1.00 0.00 H new ATOM 0 HB2 ASP A 237 22.815 -1.289 -2.010 1.00 0.00 H new ATOM 0 HB3 ASP A 237 22.681 0.432 -1.709 1.00 0.00 H new ATOM 788 N GLU A 238 21.455 0.190 1.875 1.00 0.00 N ATOM 789 CA GLU A 238 21.141 1.170 2.909 1.00 0.00 C ATOM 790 C GLU A 238 22.306 2.091 3.213 1.00 0.00 C ATOM 791 O GLU A 238 22.114 3.215 3.677 1.00 0.00 O ATOM 792 CB GLU A 238 20.719 0.451 4.204 1.00 0.00 C ATOM 793 CG GLU A 238 19.206 0.411 4.392 1.00 0.00 C ATOM 794 CD GLU A 238 18.678 -0.656 5.353 1.00 0.00 C ATOM 795 OE1 GLU A 238 19.465 -1.441 5.939 1.00 0.00 O ATOM 796 OE2 GLU A 238 17.431 -0.802 5.434 1.00 0.00 O ATOM 0 H GLU A 238 21.824 -0.686 2.247 1.00 0.00 H new ATOM 0 HA GLU A 238 20.324 1.781 2.526 1.00 0.00 H new ATOM 0 HB2 GLU A 238 21.106 -0.568 4.191 1.00 0.00 H new ATOM 0 HB3 GLU A 238 21.173 0.954 5.058 1.00 0.00 H new ATOM 0 HG2 GLU A 238 18.878 1.387 4.749 1.00 0.00 H new ATOM 0 HG3 GLU A 238 18.743 0.256 3.418 1.00 0.00 H new ATOM 803 N GLU A 239 23.519 1.650 2.924 1.00 0.00 N ATOM 804 CA GLU A 239 24.681 2.515 3.045 1.00 0.00 C ATOM 805 C GLU A 239 24.654 3.530 1.897 1.00 0.00 C ATOM 806 O GLU A 239 25.151 4.647 2.054 1.00 0.00 O ATOM 807 CB GLU A 239 25.964 1.676 3.074 1.00 0.00 C ATOM 808 CG GLU A 239 26.019 0.787 4.327 1.00 0.00 C ATOM 809 CD GLU A 239 26.305 1.569 5.621 1.00 0.00 C ATOM 810 OE1 GLU A 239 27.419 2.109 5.790 1.00 0.00 O ATOM 811 OE2 GLU A 239 25.400 1.613 6.494 1.00 0.00 O ATOM 0 H GLU A 239 23.724 0.703 2.606 1.00 0.00 H new ATOM 0 HA GLU A 239 24.658 3.069 3.984 1.00 0.00 H new ATOM 0 HB2 GLU A 239 26.015 1.053 2.181 1.00 0.00 H new ATOM 0 HB3 GLU A 239 26.833 2.334 3.054 1.00 0.00 H new ATOM 0 HG2 GLU A 239 25.070 0.261 4.432 1.00 0.00 H new ATOM 0 HG3 GLU A 239 26.790 0.029 4.192 1.00 0.00 H new ATOM 818 N MET A 240 23.986 3.193 0.790 1.00 0.00 N ATOM 819 CA MET A 240 23.964 3.979 -0.427 1.00 0.00 C ATOM 820 C MET A 240 22.843 5.013 -0.393 1.00 0.00 C ATOM 821 O MET A 240 23.107 6.194 -0.634 1.00 0.00 O ATOM 822 CB MET A 240 23.864 3.024 -1.632 1.00 0.00 C ATOM 823 CG MET A 240 24.047 3.731 -2.986 1.00 0.00 C ATOM 824 SD MET A 240 25.727 3.729 -3.697 1.00 0.00 S ATOM 825 CE MET A 240 26.726 4.424 -2.352 1.00 0.00 C ATOM 0 H MET A 240 23.432 2.339 0.724 1.00 0.00 H new ATOM 0 HA MET A 240 24.888 4.550 -0.521 1.00 0.00 H new ATOM 0 HB2 MET A 240 24.619 2.244 -1.532 1.00 0.00 H new ATOM 0 HB3 MET A 240 22.892 2.531 -1.616 1.00 0.00 H new ATOM 0 HG2 MET A 240 23.373 3.266 -3.706 1.00 0.00 H new ATOM 0 HG3 MET A 240 23.727 4.767 -2.874 1.00 0.00 H new ATOM 0 HE1 MET A 240 27.724 4.656 -2.723 1.00 0.00 H new ATOM 0 HE2 MET A 240 26.255 5.335 -1.982 1.00 0.00 H new ATOM 0 HE3 MET A 240 26.800 3.699 -1.541 1.00 0.00 H new ATOM 835 N ASP A 241 21.604 4.601 -0.103 1.00 0.00 N ATOM 836 CA ASP A 241 20.428 5.483 -0.219 1.00 0.00 C ATOM 837 C ASP A 241 19.648 5.617 1.088 1.00 0.00 C ATOM 838 O ASP A 241 18.592 6.249 1.130 1.00 0.00 O ATOM 839 CB ASP A 241 19.515 5.026 -1.368 1.00 0.00 C ATOM 840 CG ASP A 241 18.656 6.156 -1.966 1.00 0.00 C ATOM 841 OD1 ASP A 241 18.943 7.358 -1.761 1.00 0.00 O ATOM 842 OD2 ASP A 241 17.790 5.850 -2.822 1.00 0.00 O ATOM 0 H ASP A 241 21.385 3.657 0.216 1.00 0.00 H new ATOM 0 HA ASP A 241 20.806 6.479 -0.449 1.00 0.00 H new ATOM 0 HB2 ASP A 241 20.129 4.593 -2.157 1.00 0.00 H new ATOM 0 HB3 ASP A 241 18.858 4.236 -1.005 1.00 0.00 H new ATOM 847 N GLY A 242 20.167 5.032 2.168 1.00 0.00 N ATOM 848 CA GLY A 242 19.508 4.992 3.454 1.00 0.00 C ATOM 849 C GLY A 242 18.413 3.944 3.443 1.00 0.00 C ATOM 850 O GLY A 242 18.401 3.031 2.622 1.00 0.00 O ATOM 0 H GLY A 242 21.075 4.567 2.163 1.00 0.00 H new ATOM 0 HA2 GLY A 242 20.232 4.765 4.236 1.00 0.00 H new ATOM 0 HA3 GLY A 242 19.085 5.969 3.686 1.00 0.00 H new ATOM 854 N GLU A 243 17.558 3.979 4.453 1.00 0.00 N ATOM 855 CA GLU A 243 16.561 2.952 4.663 1.00 0.00 C ATOM 856 C GLU A 243 15.537 2.927 3.527 1.00 0.00 C ATOM 857 O GLU A 243 15.100 3.969 3.040 1.00 0.00 O ATOM 858 CB GLU A 243 15.854 3.181 5.996 1.00 0.00 C ATOM 859 CG GLU A 243 15.468 1.823 6.586 1.00 0.00 C ATOM 860 CD GLU A 243 14.306 1.824 7.579 1.00 0.00 C ATOM 861 OE1 GLU A 243 13.750 2.892 7.914 1.00 0.00 O ATOM 862 OE2 GLU A 243 13.902 0.704 7.981 1.00 0.00 O ATOM 0 H GLU A 243 17.539 4.724 5.149 1.00 0.00 H new ATOM 0 HA GLU A 243 17.068 1.987 4.679 1.00 0.00 H new ATOM 0 HB2 GLU A 243 16.507 3.719 6.683 1.00 0.00 H new ATOM 0 HB3 GLU A 243 14.966 3.797 5.852 1.00 0.00 H new ATOM 0 HG2 GLU A 243 15.216 1.152 5.765 1.00 0.00 H new ATOM 0 HG3 GLU A 243 16.343 1.404 7.083 1.00 0.00 H new ATOM 869 N TRP A 244 15.087 1.726 3.175 1.00 0.00 N ATOM 870 CA TRP A 244 13.937 1.537 2.310 1.00 0.00 C ATOM 871 C TRP A 244 12.656 1.843 3.070 1.00 0.00 C ATOM 872 O TRP A 244 12.152 1.079 3.903 1.00 0.00 O ATOM 873 CB TRP A 244 13.907 0.123 1.765 1.00 0.00 C ATOM 874 CG TRP A 244 12.872 -0.110 0.716 1.00 0.00 C ATOM 875 CD1 TRP A 244 12.950 0.332 -0.556 1.00 0.00 C ATOM 876 CD2 TRP A 244 11.566 -0.750 0.840 1.00 0.00 C ATOM 877 NE1 TRP A 244 11.805 -0.015 -1.238 1.00 0.00 N ATOM 878 CE2 TRP A 244 10.917 -0.688 -0.428 1.00 0.00 C ATOM 879 CE3 TRP A 244 10.856 -1.360 1.898 1.00 0.00 C ATOM 880 CZ2 TRP A 244 9.641 -1.225 -0.635 1.00 0.00 C ATOM 881 CZ3 TRP A 244 9.568 -1.892 1.699 1.00 0.00 C ATOM 882 CH2 TRP A 244 8.968 -1.842 0.429 1.00 0.00 C ATOM 0 H TRP A 244 15.516 0.854 3.486 1.00 0.00 H new ATOM 0 HA TRP A 244 14.017 2.225 1.468 1.00 0.00 H new ATOM 0 HB2 TRP A 244 14.887 -0.115 1.351 1.00 0.00 H new ATOM 0 HB3 TRP A 244 13.733 -0.568 2.590 1.00 0.00 H new ATOM 0 HD1 TRP A 244 13.784 0.875 -0.976 1.00 0.00 H new ATOM 0 HE1 TRP A 244 11.636 0.200 -2.221 1.00 0.00 H new ATOM 0 HE3 TRP A 244 11.309 -1.419 2.877 1.00 0.00 H new ATOM 0 HZ2 TRP A 244 9.178 -1.164 -1.609 1.00 0.00 H new ATOM 0 HZ3 TRP A 244 9.038 -2.341 2.526 1.00 0.00 H new ATOM 0 HH2 TRP A 244 7.992 -2.277 0.273 1.00 0.00 H new ATOM 893 N GLU A 245 12.130 2.994 2.711 1.00 0.00 N ATOM 894 CA GLU A 245 10.735 3.333 2.830 1.00 0.00 C ATOM 895 C GLU A 245 10.044 2.900 1.518 1.00 0.00 C ATOM 896 O GLU A 245 10.521 3.265 0.434 1.00 0.00 O ATOM 897 CB GLU A 245 10.610 4.838 3.111 1.00 0.00 C ATOM 898 CG GLU A 245 9.236 5.337 2.675 1.00 0.00 C ATOM 899 CD GLU A 245 8.838 6.696 3.229 1.00 0.00 C ATOM 900 OE1 GLU A 245 8.835 6.884 4.468 1.00 0.00 O ATOM 901 OE2 GLU A 245 8.422 7.575 2.443 1.00 0.00 O ATOM 0 H GLU A 245 12.689 3.748 2.312 1.00 0.00 H new ATOM 0 HA GLU A 245 10.248 2.819 3.659 1.00 0.00 H new ATOM 0 HB2 GLU A 245 10.756 5.031 4.174 1.00 0.00 H new ATOM 0 HB3 GLU A 245 11.390 5.382 2.578 1.00 0.00 H new ATOM 0 HG2 GLU A 245 9.213 5.385 1.586 1.00 0.00 H new ATOM 0 HG3 GLU A 245 8.488 4.605 2.978 1.00 0.00 H new ATOM 908 N PRO A 246 8.919 2.167 1.594 1.00 0.00 N ATOM 909 CA PRO A 246 8.049 1.924 0.452 1.00 0.00 C ATOM 910 C PRO A 246 7.319 3.203 0.011 1.00 0.00 C ATOM 911 O PRO A 246 7.105 4.103 0.828 1.00 0.00 O ATOM 912 CB PRO A 246 7.013 0.898 0.919 1.00 0.00 C ATOM 913 CG PRO A 246 7.222 0.698 2.412 1.00 0.00 C ATOM 914 CD PRO A 246 8.331 1.654 2.816 1.00 0.00 C ATOM 0 HA PRO A 246 8.636 1.576 -0.398 1.00 0.00 H new ATOM 0 HB2 PRO A 246 6.002 1.252 0.716 1.00 0.00 H new ATOM 0 HB3 PRO A 246 7.135 -0.044 0.384 1.00 0.00 H new ATOM 0 HG2 PRO A 246 6.306 0.908 2.965 1.00 0.00 H new ATOM 0 HG3 PRO A 246 7.498 -0.333 2.632 1.00 0.00 H new ATOM 0 HD2 PRO A 246 7.935 2.468 3.424 1.00 0.00 H new ATOM 0 HD3 PRO A 246 9.081 1.141 3.418 1.00 0.00 H new ATOM 922 N PRO A 247 6.847 3.287 -1.240 1.00 0.00 N ATOM 923 CA PRO A 247 5.829 4.244 -1.648 1.00 0.00 C ATOM 924 C PRO A 247 4.471 3.863 -1.042 1.00 0.00 C ATOM 925 O PRO A 247 4.237 2.713 -0.665 1.00 0.00 O ATOM 926 CB PRO A 247 5.803 4.139 -3.174 1.00 0.00 C ATOM 927 CG PRO A 247 6.094 2.658 -3.408 1.00 0.00 C ATOM 928 CD PRO A 247 7.052 2.300 -2.279 1.00 0.00 C ATOM 0 HA PRO A 247 6.040 5.259 -1.312 1.00 0.00 H new ATOM 0 HB2 PRO A 247 4.837 4.433 -3.585 1.00 0.00 H new ATOM 0 HB3 PRO A 247 6.554 4.778 -3.638 1.00 0.00 H new ATOM 0 HG2 PRO A 247 5.184 2.059 -3.367 1.00 0.00 H new ATOM 0 HG3 PRO A 247 6.544 2.487 -4.386 1.00 0.00 H new ATOM 0 HD2 PRO A 247 6.853 1.296 -1.905 1.00 0.00 H new ATOM 0 HD3 PRO A 247 8.085 2.312 -2.628 1.00 0.00 H new ATOM 936 N VAL A 248 3.529 4.806 -1.016 1.00 0.00 N ATOM 937 CA VAL A 248 2.157 4.562 -0.615 1.00 0.00 C ATOM 938 C VAL A 248 1.315 4.702 -1.873 1.00 0.00 C ATOM 939 O VAL A 248 1.337 5.743 -2.536 1.00 0.00 O ATOM 940 CB VAL A 248 1.690 5.526 0.491 1.00 0.00 C ATOM 941 CG1 VAL A 248 0.711 4.800 1.409 1.00 0.00 C ATOM 942 CG2 VAL A 248 2.785 6.085 1.403 1.00 0.00 C ATOM 0 H VAL A 248 3.708 5.775 -1.279 1.00 0.00 H new ATOM 0 HA VAL A 248 2.057 3.567 -0.182 1.00 0.00 H new ATOM 0 HB VAL A 248 1.260 6.366 -0.055 1.00 0.00 H new ATOM 0 HG11 VAL A 248 0.377 5.478 2.194 1.00 0.00 H new ATOM 0 HG12 VAL A 248 -0.149 4.463 0.830 1.00 0.00 H new ATOM 0 HG13 VAL A 248 1.205 3.939 1.859 1.00 0.00 H new ATOM 0 HG21 VAL A 248 2.339 6.750 2.142 1.00 0.00 H new ATOM 0 HG22 VAL A 248 3.289 5.263 1.912 1.00 0.00 H new ATOM 0 HG23 VAL A 248 3.508 6.640 0.805 1.00 0.00 H new ATOM 952 N ILE A 249 0.583 3.654 -2.212 1.00 0.00 N ATOM 953 CA ILE A 249 -0.279 3.568 -3.375 1.00 0.00 C ATOM 954 C ILE A 249 -1.716 3.813 -2.932 1.00 0.00 C ATOM 955 O ILE A 249 -2.025 3.767 -1.740 1.00 0.00 O ATOM 956 CB ILE A 249 -0.088 2.194 -4.050 1.00 0.00 C ATOM 957 CG1 ILE A 249 -0.592 1.017 -3.180 1.00 0.00 C ATOM 958 CG2 ILE A 249 1.410 2.048 -4.382 1.00 0.00 C ATOM 959 CD1 ILE A 249 -0.801 -0.273 -3.971 1.00 0.00 C ATOM 0 H ILE A 249 0.575 2.799 -1.655 1.00 0.00 H new ATOM 0 HA ILE A 249 -0.025 4.326 -4.116 1.00 0.00 H new ATOM 0 HB ILE A 249 -0.692 2.153 -4.956 1.00 0.00 H new ATOM 0 HG12 ILE A 249 0.125 0.832 -2.380 1.00 0.00 H new ATOM 0 HG13 ILE A 249 -1.532 1.301 -2.706 1.00 0.00 H new ATOM 0 HG21 ILE A 249 1.584 1.085 -4.862 1.00 0.00 H new ATOM 0 HG22 ILE A 249 1.713 2.849 -5.056 1.00 0.00 H new ATOM 0 HG23 ILE A 249 1.994 2.106 -3.463 1.00 0.00 H new ATOM 0 HD11 ILE A 249 -1.154 -1.057 -3.301 1.00 0.00 H new ATOM 0 HD12 ILE A 249 -1.540 -0.104 -4.754 1.00 0.00 H new ATOM 0 HD13 ILE A 249 0.142 -0.580 -4.423 1.00 0.00 H new ATOM 971 N GLN A 250 -2.603 4.051 -3.890 1.00 0.00 N ATOM 972 CA GLN A 250 -4.028 4.089 -3.631 1.00 0.00 C ATOM 973 C GLN A 250 -4.506 2.635 -3.553 1.00 0.00 C ATOM 974 O GLN A 250 -4.273 1.860 -4.477 1.00 0.00 O ATOM 975 CB GLN A 250 -4.715 4.913 -4.733 1.00 0.00 C ATOM 976 CG GLN A 250 -6.018 5.587 -4.282 1.00 0.00 C ATOM 977 CD GLN A 250 -7.156 4.584 -4.149 1.00 0.00 C ATOM 978 OE1 GLN A 250 -7.744 4.158 -5.137 1.00 0.00 O ATOM 979 NE2 GLN A 250 -7.449 4.128 -2.945 1.00 0.00 N ATOM 0 H GLN A 250 -2.351 4.222 -4.864 1.00 0.00 H new ATOM 0 HA GLN A 250 -4.279 4.578 -2.690 1.00 0.00 H new ATOM 0 HB2 GLN A 250 -4.024 5.679 -5.085 1.00 0.00 H new ATOM 0 HB3 GLN A 250 -4.928 4.262 -5.581 1.00 0.00 H new ATOM 0 HG2 GLN A 250 -5.858 6.084 -3.325 1.00 0.00 H new ATOM 0 HG3 GLN A 250 -6.296 6.359 -5.000 1.00 0.00 H new ATOM 0 HE21 GLN A 250 -6.955 4.488 -2.129 1.00 0.00 H new ATOM 0 HE22 GLN A 250 -8.170 3.415 -2.831 1.00 0.00 H new ATOM 988 N ASN A 251 -5.134 2.264 -2.437 1.00 0.00 N ATOM 989 CA ASN A 251 -5.726 0.955 -2.188 1.00 0.00 C ATOM 990 C ASN A 251 -6.700 0.569 -3.307 1.00 0.00 C ATOM 991 O ASN A 251 -7.761 1.195 -3.390 1.00 0.00 O ATOM 992 CB ASN A 251 -6.482 0.966 -0.846 1.00 0.00 C ATOM 993 CG ASN A 251 -6.993 -0.413 -0.454 1.00 0.00 C ATOM 994 OD1 ASN A 251 -6.699 -1.402 -1.113 1.00 0.00 O ATOM 995 ND2 ASN A 251 -7.761 -0.506 0.618 1.00 0.00 N ATOM 0 H ASN A 251 -5.248 2.899 -1.647 1.00 0.00 H new ATOM 0 HA ASN A 251 -4.919 0.223 -2.155 1.00 0.00 H new ATOM 0 HB2 ASN A 251 -5.822 1.341 -0.064 1.00 0.00 H new ATOM 0 HB3 ASN A 251 -7.323 1.656 -0.912 1.00 0.00 H new ATOM 0 HD21 ASN A 251 -8.121 -1.415 0.910 1.00 0.00 H new ATOM 0 HD22 ASN A 251 -7.994 0.331 1.153 1.00 0.00 H new ATOM 1002 N PRO A 252 -6.424 -0.463 -4.124 1.00 0.00 N ATOM 1003 CA PRO A 252 -7.320 -0.882 -5.193 1.00 0.00 C ATOM 1004 C PRO A 252 -8.609 -1.539 -4.667 1.00 0.00 C ATOM 1005 O PRO A 252 -9.505 -1.831 -5.459 1.00 0.00 O ATOM 1006 CB PRO A 252 -6.497 -1.837 -6.056 1.00 0.00 C ATOM 1007 CG PRO A 252 -5.569 -2.487 -5.038 1.00 0.00 C ATOM 1008 CD PRO A 252 -5.253 -1.325 -4.097 1.00 0.00 C ATOM 0 HA PRO A 252 -7.675 -0.025 -5.766 1.00 0.00 H new ATOM 0 HB2 PRO A 252 -7.125 -2.572 -6.560 1.00 0.00 H new ATOM 0 HB3 PRO A 252 -5.942 -1.308 -6.831 1.00 0.00 H new ATOM 0 HG2 PRO A 252 -6.052 -3.313 -4.516 1.00 0.00 H new ATOM 0 HG3 PRO A 252 -4.670 -2.888 -5.505 1.00 0.00 H new ATOM 0 HD2 PRO A 252 -5.054 -1.683 -3.087 1.00 0.00 H new ATOM 0 HD3 PRO A 252 -4.364 -0.787 -4.425 1.00 0.00 H new ATOM 1016 N GLU A 253 -8.749 -1.759 -3.352 1.00 0.00 N ATOM 1017 CA GLU A 253 -10.002 -2.196 -2.739 1.00 0.00 C ATOM 1018 C GLU A 253 -10.659 -1.081 -1.901 1.00 0.00 C ATOM 1019 O GLU A 253 -11.715 -1.322 -1.310 1.00 0.00 O ATOM 1020 CB GLU A 253 -9.832 -3.559 -2.028 1.00 0.00 C ATOM 1021 CG GLU A 253 -9.494 -3.377 -0.553 1.00 0.00 C ATOM 1022 CD GLU A 253 -9.178 -4.645 0.230 1.00 0.00 C ATOM 1023 OE1 GLU A 253 -8.046 -5.167 0.142 1.00 0.00 O ATOM 1024 OE2 GLU A 253 -10.013 -5.002 1.098 1.00 0.00 O ATOM 0 H GLU A 253 -7.988 -1.637 -2.683 1.00 0.00 H new ATOM 0 HA GLU A 253 -10.731 -2.386 -3.526 1.00 0.00 H new ATOM 0 HB2 GLU A 253 -10.750 -4.138 -2.124 1.00 0.00 H new ATOM 0 HB3 GLU A 253 -9.042 -4.130 -2.516 1.00 0.00 H new ATOM 0 HG2 GLU A 253 -8.637 -2.707 -0.479 1.00 0.00 H new ATOM 0 HG3 GLU A 253 -10.333 -2.877 -0.069 1.00 0.00 H new ATOM 1031 N TYR A 254 -10.112 0.150 -1.855 1.00 0.00 N ATOM 1032 CA TYR A 254 -10.896 1.327 -1.503 1.00 0.00 C ATOM 1033 C TYR A 254 -12.192 1.264 -2.299 1.00 0.00 C ATOM 1034 O TYR A 254 -12.192 1.164 -3.528 1.00 0.00 O ATOM 1035 CB TYR A 254 -10.151 2.634 -1.789 1.00 0.00 C ATOM 1036 CG TYR A 254 -10.956 3.875 -1.449 1.00 0.00 C ATOM 1037 CD1 TYR A 254 -10.957 4.395 -0.138 1.00 0.00 C ATOM 1038 CD2 TYR A 254 -11.743 4.483 -2.445 1.00 0.00 C ATOM 1039 CE1 TYR A 254 -11.702 5.552 0.162 1.00 0.00 C ATOM 1040 CE2 TYR A 254 -12.527 5.609 -2.142 1.00 0.00 C ATOM 1041 CZ TYR A 254 -12.482 6.172 -0.846 1.00 0.00 C ATOM 1042 OH TYR A 254 -13.288 7.226 -0.552 1.00 0.00 O ATOM 0 H TYR A 254 -9.132 0.344 -2.059 1.00 0.00 H new ATOM 0 HA TYR A 254 -11.091 1.322 -0.431 1.00 0.00 H new ATOM 0 HB2 TYR A 254 -9.222 2.646 -1.219 1.00 0.00 H new ATOM 0 HB3 TYR A 254 -9.879 2.665 -2.844 1.00 0.00 H new ATOM 0 HD1 TYR A 254 -10.386 3.905 0.637 1.00 0.00 H new ATOM 0 HD2 TYR A 254 -11.744 4.082 -3.448 1.00 0.00 H new ATOM 0 HE1 TYR A 254 -11.679 5.966 1.159 1.00 0.00 H new ATOM 0 HE2 TYR A 254 -13.163 6.044 -2.898 1.00 0.00 H new ATOM 0 HH TYR A 254 -13.747 7.524 -1.365 1.00 0.00 H new ATOM 1052 N LYS A 255 -13.290 1.222 -1.561 1.00 0.00 N ATOM 1053 CA LYS A 255 -14.596 0.809 -2.058 1.00 0.00 C ATOM 1054 C LYS A 255 -15.238 1.862 -2.965 1.00 0.00 C ATOM 1055 O LYS A 255 -16.250 1.568 -3.601 1.00 0.00 O ATOM 1056 CB LYS A 255 -15.532 0.482 -0.888 1.00 0.00 C ATOM 1057 CG LYS A 255 -15.006 -0.704 -0.073 1.00 0.00 C ATOM 1058 CD LYS A 255 -15.981 -0.998 1.059 1.00 0.00 C ATOM 1059 CE LYS A 255 -15.537 -2.162 1.943 1.00 0.00 C ATOM 1060 NZ LYS A 255 -15.548 -3.452 1.226 1.00 0.00 N ATOM 0 H LYS A 255 -13.299 1.481 -0.574 1.00 0.00 H new ATOM 0 HA LYS A 255 -14.439 -0.085 -2.661 1.00 0.00 H new ATOM 0 HB2 LYS A 255 -15.631 1.355 -0.243 1.00 0.00 H new ATOM 0 HB3 LYS A 255 -16.527 0.253 -1.268 1.00 0.00 H new ATOM 0 HG2 LYS A 255 -14.895 -1.580 -0.712 1.00 0.00 H new ATOM 0 HG3 LYS A 255 -14.019 -0.476 0.330 1.00 0.00 H new ATOM 0 HD2 LYS A 255 -16.095 -0.105 1.674 1.00 0.00 H new ATOM 0 HD3 LYS A 255 -16.961 -1.222 0.638 1.00 0.00 H new ATOM 0 HE2 LYS A 255 -14.532 -1.967 2.318 1.00 0.00 H new ATOM 0 HE3 LYS A 255 -16.194 -2.226 2.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 255 -15.272 -4.214 1.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 255 -16.504 -3.638 0.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 255 -14.876 -3.414 0.433 1.00 0.00 H new ATOM 1074 N GLY A 256 -14.690 3.078 -3.010 1.00 0.00 N ATOM 1075 CA GLY A 256 -15.344 4.216 -3.628 1.00 0.00 C ATOM 1076 C GLY A 256 -16.329 4.809 -2.631 1.00 0.00 C ATOM 1077 O GLY A 256 -17.537 4.847 -2.876 1.00 0.00 O ATOM 0 H GLY A 256 -13.775 3.294 -2.615 1.00 0.00 H new ATOM 0 HA2 GLY A 256 -14.606 4.963 -3.921 1.00 0.00 H new ATOM 0 HA3 GLY A 256 -15.863 3.907 -4.535 1.00 0.00 H new ATOM 1081 N GLU A 257 -15.773 5.280 -1.511 1.00 0.00 N ATOM 1082 CA GLU A 257 -16.414 5.847 -0.355 1.00 0.00 C ATOM 1083 C GLU A 257 -17.483 4.937 0.257 1.00 0.00 C ATOM 1084 O GLU A 257 -17.543 3.742 -0.042 1.00 0.00 O ATOM 1085 CB GLU A 257 -16.766 7.306 -0.642 1.00 0.00 C ATOM 1086 CG GLU A 257 -18.127 7.662 -1.213 1.00 0.00 C ATOM 1087 CD GLU A 257 -18.492 9.112 -0.879 1.00 0.00 C ATOM 1088 OE1 GLU A 257 -18.892 9.387 0.276 1.00 0.00 O ATOM 1089 OE2 GLU A 257 -18.285 10.000 -1.742 1.00 0.00 O ATOM 0 H GLU A 257 -14.760 5.265 -1.396 1.00 0.00 H new ATOM 0 HA GLU A 257 -15.726 5.895 0.489 1.00 0.00 H new ATOM 0 HB2 GLU A 257 -16.653 7.856 0.292 1.00 0.00 H new ATOM 0 HB3 GLU A 257 -16.015 7.691 -1.332 1.00 0.00 H new ATOM 0 HG2 GLU A 257 -18.121 7.523 -2.294 1.00 0.00 H new ATOM 0 HG3 GLU A 257 -18.884 6.989 -0.809 1.00 0.00 H new ATOM 1096 N TRP A 258 -18.265 5.451 1.204 1.00 0.00 N ATOM 1097 CA TRP A 258 -19.486 4.813 1.661 1.00 0.00 C ATOM 1098 C TRP A 258 -20.654 5.685 1.260 1.00 0.00 C ATOM 1099 O TRP A 258 -20.543 6.910 1.177 1.00 0.00 O ATOM 1100 CB TRP A 258 -19.468 4.652 3.172 1.00 0.00 C ATOM 1101 CG TRP A 258 -20.765 4.260 3.790 1.00 0.00 C ATOM 1102 CD1 TRP A 258 -21.247 3.014 3.969 1.00 0.00 C ATOM 1103 CD2 TRP A 258 -21.804 5.163 4.245 1.00 0.00 C ATOM 1104 NE1 TRP A 258 -22.504 3.098 4.532 1.00 0.00 N ATOM 1105 CE2 TRP A 258 -22.875 4.399 4.773 1.00 0.00 C ATOM 1106 CE3 TRP A 258 -21.964 6.556 4.195 1.00 0.00 C ATOM 1107 CZ2 TRP A 258 -24.012 4.994 5.327 1.00 0.00 C ATOM 1108 CZ3 TRP A 258 -23.133 7.160 4.669 1.00 0.00 C ATOM 1109 CH2 TRP A 258 -24.133 6.392 5.287 1.00 0.00 C ATOM 0 H TRP A 258 -18.062 6.331 1.677 1.00 0.00 H new ATOM 0 HA TRP A 258 -19.573 3.824 1.211 1.00 0.00 H new ATOM 0 HB2 TRP A 258 -18.721 3.902 3.431 1.00 0.00 H new ATOM 0 HB3 TRP A 258 -19.143 5.593 3.616 1.00 0.00 H new ATOM 0 HD1 TRP A 258 -20.733 2.099 3.713 1.00 0.00 H new ATOM 0 HE1 TRP A 258 -23.089 2.290 4.744 1.00 0.00 H new ATOM 0 HE3 TRP A 258 -21.175 7.169 3.786 1.00 0.00 H new ATOM 0 HZ2 TRP A 258 -24.784 4.389 5.778 1.00 0.00 H new ATOM 0 HZ3 TRP A 258 -23.268 8.226 4.559 1.00 0.00 H new ATOM 0 HH2 TRP A 258 -24.992 6.875 5.730 1.00 0.00 H new ATOM 1120 N LYS A 259 -21.800 5.043 1.068 1.00 0.00 N ATOM 1121 CA LYS A 259 -23.040 5.696 0.735 1.00 0.00 C ATOM 1122 C LYS A 259 -24.174 4.942 1.409 1.00 0.00 C ATOM 1123 O LYS A 259 -24.031 3.732 1.646 1.00 0.00 O ATOM 1124 CB LYS A 259 -23.192 5.750 -0.791 1.00 0.00 C ATOM 1125 CG LYS A 259 -22.076 6.566 -1.482 1.00 0.00 C ATOM 1126 CD LYS A 259 -22.539 7.151 -2.818 1.00 0.00 C ATOM 1127 CE LYS A 259 -22.782 6.058 -3.851 1.00 0.00 C ATOM 1128 NZ LYS A 259 -23.636 6.535 -4.947 1.00 0.00 N ATOM 0 H LYS A 259 -21.885 4.029 1.144 1.00 0.00 H new ATOM 0 HA LYS A 259 -23.057 6.725 1.095 1.00 0.00 H new ATOM 0 HB2 LYS A 259 -23.190 4.734 -1.187 1.00 0.00 H new ATOM 0 HB3 LYS A 259 -24.160 6.186 -1.039 1.00 0.00 H new ATOM 0 HG2 LYS A 259 -21.756 7.374 -0.824 1.00 0.00 H new ATOM 0 HG3 LYS A 259 -21.208 5.927 -1.647 1.00 0.00 H new ATOM 0 HD2 LYS A 259 -23.455 7.722 -2.668 1.00 0.00 H new ATOM 0 HD3 LYS A 259 -21.787 7.846 -3.192 1.00 0.00 H new ATOM 0 HE2 LYS A 259 -21.828 5.717 -4.253 1.00 0.00 H new ATOM 0 HE3 LYS A 259 -23.250 5.199 -3.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 259 -23.782 5.767 -5.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 259 -24.555 6.837 -4.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 259 -23.177 7.339 -5.420 1.00 0.00 H new ATOM 1142 N PRO A 260 -25.297 5.608 1.704 1.00 0.00 N ATOM 1143 CA PRO A 260 -26.384 5.056 2.495 1.00 0.00 C ATOM 1144 C PRO A 260 -27.294 4.179 1.636 1.00 0.00 C ATOM 1145 O PRO A 260 -28.520 4.275 1.731 1.00 0.00 O ATOM 1146 CB PRO A 260 -27.096 6.288 3.041 1.00 0.00 C ATOM 1147 CG PRO A 260 -26.987 7.287 1.895 1.00 0.00 C ATOM 1148 CD PRO A 260 -25.594 6.990 1.343 1.00 0.00 C ATOM 0 HA PRO A 260 -26.047 4.398 3.296 1.00 0.00 H new ATOM 0 HB2 PRO A 260 -28.135 6.075 3.292 1.00 0.00 H new ATOM 0 HB3 PRO A 260 -26.619 6.661 3.947 1.00 0.00 H new ATOM 0 HG2 PRO A 260 -27.764 7.134 1.146 1.00 0.00 H new ATOM 0 HG3 PRO A 260 -27.077 8.316 2.242 1.00 0.00 H new ATOM 0 HD2 PRO A 260 -25.568 7.124 0.262 1.00 0.00 H new ATOM 0 HD3 PRO A 260 -24.855 7.670 1.766 1.00 0.00 H new ATOM 1156 N ARG A 261 -26.698 3.318 0.807 1.00 0.00 N ATOM 1157 CA ARG A 261 -27.292 2.752 -0.383 1.00 0.00 C ATOM 1158 C ARG A 261 -27.420 3.876 -1.407 1.00 0.00 C ATOM 1159 O ARG A 261 -26.471 4.684 -1.485 1.00 0.00 O ATOM 1160 CB ARG A 261 -28.506 1.892 0.022 1.00 0.00 C ATOM 1161 CG ARG A 261 -29.937 2.396 -0.181 1.00 0.00 C ATOM 1162 CD ARG A 261 -30.594 1.763 -1.403 1.00 0.00 C ATOM 1163 NE ARG A 261 -32.026 2.075 -1.456 1.00 0.00 N ATOM 1164 CZ ARG A 261 -32.921 1.454 -2.224 1.00 0.00 C ATOM 1165 NH1 ARG A 261 -32.578 0.383 -2.945 1.00 0.00 N ATOM 1166 NH2 ARG A 261 -34.159 1.911 -2.306 1.00 0.00 N ATOM 0 H ARG A 261 -25.745 2.989 0.964 1.00 0.00 H new ATOM 0 HA ARG A 261 -26.696 2.014 -0.920 1.00 0.00 H new ATOM 0 HB2 ARG A 261 -28.421 0.948 -0.517 1.00 0.00 H new ATOM 0 HB3 ARG A 261 -28.396 1.665 1.082 1.00 0.00 H new ATOM 0 HG2 ARG A 261 -30.530 2.173 0.706 1.00 0.00 H new ATOM 0 HG3 ARG A 261 -29.928 3.480 -0.294 1.00 0.00 H new ATOM 0 HD2 ARG A 261 -30.107 2.124 -2.309 1.00 0.00 H new ATOM 0 HD3 ARG A 261 -30.455 0.682 -1.375 1.00 0.00 H new ATOM 0 HE ARG A 261 -32.364 2.828 -0.857 1.00 0.00 H new ATOM 0 HH11 ARG A 261 -31.621 0.031 -2.912 1.00 0.00 H new ATOM 0 HH12 ARG A 261 -33.273 -0.083 -3.529 1.00 0.00 H new ATOM 0 HH21 ARG A 261 -34.432 2.742 -1.780 1.00 0.00 H new ATOM 0 HH22 ARG A 261 -34.841 1.433 -2.895 1.00 0.00 H new