USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 376 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 327 CYS SG : rot 165:sc= 0.0442 USER MOD Set 1.2: A 330 CYS SG : rot -51:sc= -2.14 USER MOD Set 1.3: A 353 CYS SG : rot -123:sc= -2.09 USER MOD Set 1.4: A 355 LYS NZ :NH3+ -115:sc= -1.7! (180deg=-2.37!) USER MOD Set 1.5: A 356 CYS SG : rot 62:sc= -1.58! USER MOD Set 2.1: A 312 CYS SG : rot -134:sc= -0.401 USER MOD Set 2.2: A 315 CYS SG : rot -170:sc= -0.115 USER MOD Set 2.3: A 335 HIS : no HE2:sc= -8.51! C(o=-9!,f=-12!) USER MOD Set 2.4: A 338 CYS SG : rot 167:sc= 0.063 USER MOD Single : A 310 TYR OH : rot 180:sc= 0 USER MOD Single : A 317 SER OG : rot -119:sc= 0.0057 USER MOD Single : A 319 ASN : amide:sc= -0.191 X(o=-0.19,f=0) USER MOD Single : A 333 SER OG : rot -175:sc= -2.45! USER MOD Single : A 334 TYR OH : rot -88:sc= -0.143 USER MOD Single : A 336 THR OG1 : rot 170:sc= 0.741 USER MOD Single : A 344 HIS : no HD1:sc= -0.0656 X(o=-0.066,f=-0.0043) USER MOD Single : A 348 LYS NZ :NH3+ -164:sc= -0.0527 (180deg=-0.436) USER MOD Single : A 359 GLN : amide:sc= -1.32! K(o=-1.3!,f=0) USER MOD ----------------------------------------------------------------- ATOM 41 N LEU A 309 5.332 12.020 4.232 1.00 0.00 N ATOM 42 CA LEU A 309 4.199 12.419 3.354 1.00 0.00 C ATOM 43 C LEU A 309 3.936 11.313 2.330 1.00 0.00 C ATOM 44 O LEU A 309 4.470 11.326 1.239 1.00 0.00 O ATOM 45 CB LEU A 309 4.551 13.717 2.623 1.00 0.00 C ATOM 46 CG LEU A 309 5.983 13.633 2.093 1.00 0.00 C ATOM 47 CD1 LEU A 309 6.017 14.091 0.635 1.00 0.00 C ATOM 48 CD2 LEU A 309 6.890 14.536 2.933 1.00 0.00 C ATOM 0 HA LEU A 309 3.307 12.575 3.960 1.00 0.00 H new ATOM 0 HB2 LEU A 309 3.856 13.883 1.799 1.00 0.00 H new ATOM 0 HB3 LEU A 309 4.452 14.566 3.299 1.00 0.00 H new ATOM 0 HG LEU A 309 6.334 12.603 2.157 1.00 0.00 H new ATOM 0 HD11 LEU A 309 7.038 14.031 0.258 1.00 0.00 H new ATOM 0 HD12 LEU A 309 5.371 13.449 0.037 1.00 0.00 H new ATOM 0 HD13 LEU A 309 5.666 15.121 0.569 1.00 0.00 H new ATOM 0 HD21 LEU A 309 7.911 14.477 2.557 1.00 0.00 H new ATOM 0 HD22 LEU A 309 6.538 15.566 2.869 1.00 0.00 H new ATOM 0 HD23 LEU A 309 6.867 14.209 3.972 1.00 0.00 H new ATOM 60 N TYR A 310 3.117 10.355 2.677 1.00 0.00 N ATOM 61 CA TYR A 310 2.816 9.242 1.733 1.00 0.00 C ATOM 62 C TYR A 310 1.334 9.269 1.353 1.00 0.00 C ATOM 63 O TYR A 310 0.469 9.405 2.196 1.00 0.00 O ATOM 64 CB TYR A 310 3.138 7.903 2.399 1.00 0.00 C ATOM 65 CG TYR A 310 4.421 7.349 1.829 1.00 0.00 C ATOM 66 CD1 TYR A 310 4.524 7.099 0.455 1.00 0.00 C ATOM 67 CD2 TYR A 310 5.505 7.078 2.672 1.00 0.00 C ATOM 68 CE1 TYR A 310 5.711 6.581 -0.076 1.00 0.00 C ATOM 69 CE2 TYR A 310 6.693 6.559 2.142 1.00 0.00 C ATOM 70 CZ TYR A 310 6.795 6.311 0.768 1.00 0.00 C ATOM 71 OH TYR A 310 7.966 5.799 0.245 1.00 0.00 O ATOM 0 H TYR A 310 2.642 10.297 3.578 1.00 0.00 H new ATOM 0 HA TYR A 310 3.424 9.363 0.836 1.00 0.00 H new ATOM 0 HB2 TYR A 310 3.234 8.035 3.477 1.00 0.00 H new ATOM 0 HB3 TYR A 310 2.322 7.199 2.236 1.00 0.00 H new ATOM 0 HD1 TYR A 310 3.687 7.306 -0.195 1.00 0.00 H new ATOM 0 HD2 TYR A 310 5.425 7.269 3.732 1.00 0.00 H new ATOM 0 HE1 TYR A 310 5.791 6.390 -1.136 1.00 0.00 H new ATOM 0 HE2 TYR A 310 7.529 6.350 2.793 1.00 0.00 H new ATOM 0 HH TYR A 310 8.618 5.671 0.966 1.00 0.00 H new ATOM 81 N VAL A 311 1.038 9.131 0.088 1.00 0.00 N ATOM 82 CA VAL A 311 -0.385 9.135 -0.356 1.00 0.00 C ATOM 83 C VAL A 311 -0.633 7.906 -1.231 1.00 0.00 C ATOM 84 O VAL A 311 0.286 7.321 -1.770 1.00 0.00 O ATOM 85 CB VAL A 311 -0.671 10.402 -1.165 1.00 0.00 C ATOM 86 CG1 VAL A 311 -0.217 11.630 -0.372 1.00 0.00 C ATOM 87 CG2 VAL A 311 0.085 10.344 -2.494 1.00 0.00 C ATOM 0 H VAL A 311 1.723 9.015 -0.659 1.00 0.00 H new ATOM 0 HA VAL A 311 -1.041 9.112 0.514 1.00 0.00 H new ATOM 0 HB VAL A 311 -1.741 10.472 -1.360 1.00 0.00 H new ATOM 0 HG11 VAL A 311 -0.421 12.532 -0.949 1.00 0.00 H new ATOM 0 HG12 VAL A 311 -0.759 11.674 0.573 1.00 0.00 H new ATOM 0 HG13 VAL A 311 0.853 11.560 -0.174 1.00 0.00 H new ATOM 0 HG21 VAL A 311 -0.120 11.247 -3.069 1.00 0.00 H new ATOM 0 HG22 VAL A 311 1.155 10.272 -2.301 1.00 0.00 H new ATOM 0 HG23 VAL A 311 -0.241 9.472 -3.060 1.00 0.00 H new ATOM 97 N CYS A 312 -1.865 7.506 -1.378 1.00 0.00 N ATOM 98 CA CYS A 312 -2.162 6.312 -2.216 1.00 0.00 C ATOM 99 C CYS A 312 -2.050 6.700 -3.690 1.00 0.00 C ATOM 100 O CYS A 312 -2.825 7.476 -4.200 1.00 0.00 O ATOM 101 CB CYS A 312 -3.578 5.824 -1.898 1.00 0.00 C ATOM 102 SG CYS A 312 -4.162 4.698 -3.190 1.00 0.00 S ATOM 0 H CYS A 312 -2.678 7.954 -0.955 1.00 0.00 H new ATOM 0 HA CYS A 312 -1.453 5.511 -2.005 1.00 0.00 H new ATOM 0 HB2 CYS A 312 -3.587 5.317 -0.933 1.00 0.00 H new ATOM 0 HB3 CYS A 312 -4.253 6.676 -1.816 1.00 0.00 H new ATOM 0 HG CYS A 312 -5.373 5.023 -3.534 1.00 0.00 H new ATOM 107 N LEU A 313 -1.072 6.176 -4.376 1.00 0.00 N ATOM 108 CA LEU A 313 -0.898 6.532 -5.811 1.00 0.00 C ATOM 109 C LEU A 313 -2.213 6.319 -6.562 1.00 0.00 C ATOM 110 O LEU A 313 -2.578 7.096 -7.421 1.00 0.00 O ATOM 111 CB LEU A 313 0.190 5.647 -6.423 1.00 0.00 C ATOM 112 CG LEU A 313 0.479 6.106 -7.855 1.00 0.00 C ATOM 113 CD1 LEU A 313 1.142 7.487 -7.832 1.00 0.00 C ATOM 114 CD2 LEU A 313 1.418 5.104 -8.530 1.00 0.00 C ATOM 0 H LEU A 313 -0.387 5.518 -4.005 1.00 0.00 H new ATOM 0 HA LEU A 313 -0.607 7.579 -5.891 1.00 0.00 H new ATOM 0 HB2 LEU A 313 1.098 5.702 -5.822 1.00 0.00 H new ATOM 0 HB3 LEU A 313 -0.131 4.605 -6.422 1.00 0.00 H new ATOM 0 HG LEU A 313 -0.457 6.164 -8.411 1.00 0.00 H new ATOM 0 HD11 LEU A 313 1.346 7.810 -8.853 1.00 0.00 H new ATOM 0 HD12 LEU A 313 0.475 8.203 -7.351 1.00 0.00 H new ATOM 0 HD13 LEU A 313 2.077 7.432 -7.275 1.00 0.00 H new ATOM 0 HD21 LEU A 313 1.625 5.429 -9.550 1.00 0.00 H new ATOM 0 HD22 LEU A 313 2.352 5.047 -7.971 1.00 0.00 H new ATOM 0 HD23 LEU A 313 0.947 4.121 -8.551 1.00 0.00 H new ATOM 126 N LEU A 314 -2.928 5.273 -6.250 1.00 0.00 N ATOM 127 CA LEU A 314 -4.212 5.019 -6.954 1.00 0.00 C ATOM 128 C LEU A 314 -5.211 6.143 -6.642 1.00 0.00 C ATOM 129 O LEU A 314 -6.016 6.510 -7.475 1.00 0.00 O ATOM 130 CB LEU A 314 -4.775 3.660 -6.512 1.00 0.00 C ATOM 131 CG LEU A 314 -3.742 2.545 -6.772 1.00 0.00 C ATOM 132 CD1 LEU A 314 -4.413 1.176 -6.630 1.00 0.00 C ATOM 133 CD2 LEU A 314 -3.170 2.665 -8.189 1.00 0.00 C ATOM 0 H LEU A 314 -2.677 4.586 -5.539 1.00 0.00 H new ATOM 0 HA LEU A 314 -4.041 4.999 -8.030 1.00 0.00 H new ATOM 0 HB2 LEU A 314 -5.029 3.691 -5.452 1.00 0.00 H new ATOM 0 HB3 LEU A 314 -5.696 3.446 -7.054 1.00 0.00 H new ATOM 0 HG LEU A 314 -2.936 2.647 -6.045 1.00 0.00 H new ATOM 0 HD11 LEU A 314 -3.680 0.391 -6.814 1.00 0.00 H new ATOM 0 HD12 LEU A 314 -4.813 1.070 -5.622 1.00 0.00 H new ATOM 0 HD13 LEU A 314 -5.225 1.092 -7.353 1.00 0.00 H new ATOM 0 HD21 LEU A 314 -2.443 1.871 -8.356 1.00 0.00 H new ATOM 0 HD22 LEU A 314 -3.977 2.577 -8.916 1.00 0.00 H new ATOM 0 HD23 LEU A 314 -2.683 3.633 -8.304 1.00 0.00 H new ATOM 145 N CYS A 315 -5.165 6.700 -5.458 1.00 0.00 N ATOM 146 CA CYS A 315 -6.114 7.807 -5.113 1.00 0.00 C ATOM 147 C CYS A 315 -5.356 9.134 -5.025 1.00 0.00 C ATOM 148 O CYS A 315 -5.680 10.095 -5.693 1.00 0.00 O ATOM 149 CB CYS A 315 -6.766 7.528 -3.759 1.00 0.00 C ATOM 150 SG CYS A 315 -7.648 5.951 -3.816 1.00 0.00 S ATOM 0 H CYS A 315 -4.515 6.439 -4.717 1.00 0.00 H new ATOM 0 HA CYS A 315 -6.878 7.866 -5.889 1.00 0.00 H new ATOM 0 HB2 CYS A 315 -6.006 7.502 -2.978 1.00 0.00 H new ATOM 0 HB3 CYS A 315 -7.457 8.332 -3.505 1.00 0.00 H new ATOM 0 HG CYS A 315 -8.369 5.818 -2.742 1.00 0.00 H new ATOM 155 N GLY A 316 -4.357 9.189 -4.191 1.00 0.00 N ATOM 156 CA GLY A 316 -3.572 10.444 -4.031 1.00 0.00 C ATOM 157 C GLY A 316 -4.047 11.174 -2.773 1.00 0.00 C ATOM 158 O GLY A 316 -3.592 12.255 -2.459 1.00 0.00 O ATOM 0 H GLY A 316 -4.048 8.411 -3.608 1.00 0.00 H new ATOM 0 HA2 GLY A 316 -2.509 10.216 -3.955 1.00 0.00 H new ATOM 0 HA3 GLY A 316 -3.699 11.081 -4.906 1.00 0.00 H new ATOM 162 N SER A 317 -4.962 10.585 -2.052 1.00 0.00 N ATOM 163 CA SER A 317 -5.474 11.234 -0.812 1.00 0.00 C ATOM 164 C SER A 317 -4.470 11.039 0.328 1.00 0.00 C ATOM 165 O SER A 317 -3.591 10.204 0.261 1.00 0.00 O ATOM 166 CB SER A 317 -6.813 10.607 -0.424 1.00 0.00 C ATOM 167 OG SER A 317 -6.589 9.298 0.085 1.00 0.00 O ATOM 0 H SER A 317 -5.378 9.679 -2.269 1.00 0.00 H new ATOM 0 HA SER A 317 -5.609 12.300 -0.994 1.00 0.00 H new ATOM 0 HB2 SER A 317 -7.311 11.221 0.326 1.00 0.00 H new ATOM 0 HB3 SER A 317 -7.473 10.565 -1.291 1.00 0.00 H new ATOM 0 HG SER A 317 -7.054 8.644 -0.478 1.00 0.00 H new ATOM 173 N GLY A 318 -4.604 11.807 1.376 1.00 0.00 N ATOM 174 CA GLY A 318 -3.672 11.681 2.533 1.00 0.00 C ATOM 175 C GLY A 318 -4.436 11.139 3.745 1.00 0.00 C ATOM 176 O GLY A 318 -3.916 10.370 4.524 1.00 0.00 O ATOM 0 H GLY A 318 -5.325 12.521 1.480 1.00 0.00 H new ATOM 0 HA2 GLY A 318 -2.849 11.013 2.280 1.00 0.00 H new ATOM 0 HA3 GLY A 318 -3.235 12.651 2.769 1.00 0.00 H new ATOM 180 N ASN A 319 -5.669 11.528 3.910 1.00 0.00 N ATOM 181 CA ASN A 319 -6.451 11.020 5.073 1.00 0.00 C ATOM 182 C ASN A 319 -6.407 9.493 5.079 1.00 0.00 C ATOM 183 O ASN A 319 -6.321 8.865 6.114 1.00 0.00 O ATOM 184 CB ASN A 319 -7.903 11.482 4.956 1.00 0.00 C ATOM 185 CG ASN A 319 -8.679 11.032 6.194 1.00 0.00 C ATOM 186 OD1 ASN A 319 -8.742 11.741 7.178 1.00 0.00 O ATOM 187 ND2 ASN A 319 -9.267 9.866 6.188 1.00 0.00 N ATOM 0 H ASN A 319 -6.167 12.171 3.295 1.00 0.00 H new ATOM 0 HA ASN A 319 -6.021 11.406 5.997 1.00 0.00 H new ATOM 0 HB2 ASN A 319 -7.945 12.567 4.861 1.00 0.00 H new ATOM 0 HB3 ASN A 319 -8.358 11.066 4.057 1.00 0.00 H new ATOM 0 HD21 ASN A 319 -9.780 9.549 7.011 1.00 0.00 H new ATOM 0 HD22 ASN A 319 -9.213 9.272 5.361 1.00 0.00 H new ATOM 194 N ASP A 320 -6.459 8.895 3.923 1.00 0.00 N ATOM 195 CA ASP A 320 -6.415 7.415 3.844 1.00 0.00 C ATOM 196 C ASP A 320 -5.024 6.933 4.263 1.00 0.00 C ATOM 197 O ASP A 320 -4.770 5.750 4.376 1.00 0.00 O ATOM 198 CB ASP A 320 -6.707 6.981 2.410 1.00 0.00 C ATOM 199 CG ASP A 320 -8.140 7.369 2.040 1.00 0.00 C ATOM 200 OD1 ASP A 320 -8.896 7.693 2.941 1.00 0.00 O ATOM 201 OD2 ASP A 320 -8.456 7.337 0.862 1.00 0.00 O ATOM 0 H ASP A 320 -6.531 9.374 3.025 1.00 0.00 H new ATOM 0 HA ASP A 320 -7.162 6.982 4.509 1.00 0.00 H new ATOM 0 HB2 ASP A 320 -6.003 7.454 1.725 1.00 0.00 H new ATOM 0 HB3 ASP A 320 -6.574 5.904 2.311 1.00 0.00 H new ATOM 206 N GLU A 321 -4.120 7.848 4.485 1.00 0.00 N ATOM 207 CA GLU A 321 -2.738 7.460 4.887 1.00 0.00 C ATOM 208 C GLU A 321 -2.791 6.510 6.088 1.00 0.00 C ATOM 209 O GLU A 321 -1.886 5.728 6.308 1.00 0.00 O ATOM 210 CB GLU A 321 -1.942 8.715 5.261 1.00 0.00 C ATOM 211 CG GLU A 321 -0.518 8.325 5.660 1.00 0.00 C ATOM 212 CD GLU A 321 0.250 9.574 6.095 1.00 0.00 C ATOM 213 OE1 GLU A 321 -0.344 10.640 6.098 1.00 0.00 O ATOM 214 OE2 GLU A 321 1.418 9.444 6.420 1.00 0.00 O ATOM 0 H GLU A 321 -4.280 8.852 4.405 1.00 0.00 H new ATOM 0 HA GLU A 321 -2.251 6.955 4.053 1.00 0.00 H new ATOM 0 HB2 GLU A 321 -1.917 9.406 4.418 1.00 0.00 H new ATOM 0 HB3 GLU A 321 -2.431 9.235 6.085 1.00 0.00 H new ATOM 0 HG2 GLU A 321 -0.543 7.599 6.473 1.00 0.00 H new ATOM 0 HG3 GLU A 321 -0.012 7.848 4.821 1.00 0.00 H new ATOM 221 N ASP A 322 -3.830 6.573 6.871 1.00 0.00 N ATOM 222 CA ASP A 322 -3.919 5.675 8.057 1.00 0.00 C ATOM 223 C ASP A 322 -3.832 4.208 7.618 1.00 0.00 C ATOM 224 O ASP A 322 -3.219 3.395 8.281 1.00 0.00 O ATOM 225 CB ASP A 322 -5.250 5.911 8.774 1.00 0.00 C ATOM 226 CG ASP A 322 -5.252 5.164 10.108 1.00 0.00 C ATOM 227 OD1 ASP A 322 -4.239 4.567 10.432 1.00 0.00 O ATOM 228 OD2 ASP A 322 -6.267 5.200 10.783 1.00 0.00 O ATOM 0 H ASP A 322 -4.620 7.205 6.743 1.00 0.00 H new ATOM 0 HA ASP A 322 -3.091 5.894 8.731 1.00 0.00 H new ATOM 0 HB2 ASP A 322 -5.400 6.977 8.942 1.00 0.00 H new ATOM 0 HB3 ASP A 322 -6.076 5.567 8.152 1.00 0.00 H new ATOM 233 N ARG A 323 -4.440 3.863 6.512 1.00 0.00 N ATOM 234 CA ARG A 323 -4.391 2.446 6.040 1.00 0.00 C ATOM 235 C ARG A 323 -3.567 2.339 4.756 1.00 0.00 C ATOM 236 O ARG A 323 -3.602 1.336 4.072 1.00 0.00 O ATOM 237 CB ARG A 323 -5.808 1.932 5.779 1.00 0.00 C ATOM 238 CG ARG A 323 -6.589 1.917 7.093 1.00 0.00 C ATOM 239 CD ARG A 323 -7.898 1.152 6.905 1.00 0.00 C ATOM 240 NE ARG A 323 -8.795 1.409 8.069 1.00 0.00 N ATOM 241 CZ ARG A 323 -8.477 0.963 9.253 1.00 0.00 C ATOM 242 NH1 ARG A 323 -7.382 0.272 9.420 1.00 0.00 N ATOM 243 NH2 ARG A 323 -9.257 1.203 10.271 1.00 0.00 N ATOM 0 H ARG A 323 -4.968 4.500 5.916 1.00 0.00 H new ATOM 0 HA ARG A 323 -3.922 1.840 6.815 1.00 0.00 H new ATOM 0 HB2 ARG A 323 -6.310 2.569 5.051 1.00 0.00 H new ATOM 0 HB3 ARG A 323 -5.771 0.929 5.353 1.00 0.00 H new ATOM 0 HG2 ARG A 323 -5.993 1.449 7.876 1.00 0.00 H new ATOM 0 HG3 ARG A 323 -6.796 2.937 7.416 1.00 0.00 H new ATOM 0 HD2 ARG A 323 -8.385 1.464 5.981 1.00 0.00 H new ATOM 0 HD3 ARG A 323 -7.698 0.084 6.815 1.00 0.00 H new ATOM 0 HE ARG A 323 -9.659 1.935 7.939 1.00 0.00 H new ATOM 0 HH11 ARG A 323 -6.774 0.080 8.624 1.00 0.00 H new ATOM 0 HH12 ARG A 323 -7.135 -0.076 10.346 1.00 0.00 H new ATOM 0 HH21 ARG A 323 -10.115 1.739 10.141 1.00 0.00 H new ATOM 0 HH22 ARG A 323 -9.009 0.854 11.197 1.00 0.00 H new ATOM 257 N LEU A 324 -2.826 3.356 4.417 1.00 0.00 N ATOM 258 CA LEU A 324 -2.009 3.291 3.176 1.00 0.00 C ATOM 259 C LEU A 324 -0.799 2.388 3.417 1.00 0.00 C ATOM 260 O LEU A 324 -0.064 2.554 4.369 1.00 0.00 O ATOM 261 CB LEU A 324 -1.545 4.700 2.804 1.00 0.00 C ATOM 262 CG LEU A 324 -0.606 4.655 1.599 1.00 0.00 C ATOM 263 CD1 LEU A 324 -1.229 3.813 0.486 1.00 0.00 C ATOM 264 CD2 LEU A 324 -0.378 6.081 1.090 1.00 0.00 C ATOM 0 H LEU A 324 -2.751 4.226 4.944 1.00 0.00 H new ATOM 0 HA LEU A 324 -2.604 2.883 2.359 1.00 0.00 H new ATOM 0 HB2 LEU A 324 -2.408 5.325 2.576 1.00 0.00 H new ATOM 0 HB3 LEU A 324 -1.036 5.157 3.652 1.00 0.00 H new ATOM 0 HG LEU A 324 0.344 4.209 1.895 1.00 0.00 H new ATOM 0 HD11 LEU A 324 -0.555 3.785 -0.370 1.00 0.00 H new ATOM 0 HD12 LEU A 324 -1.398 2.799 0.848 1.00 0.00 H new ATOM 0 HD13 LEU A 324 -2.179 4.254 0.185 1.00 0.00 H new ATOM 0 HD21 LEU A 324 0.291 6.058 0.230 1.00 0.00 H new ATOM 0 HD22 LEU A 324 -1.332 6.519 0.796 1.00 0.00 H new ATOM 0 HD23 LEU A 324 0.069 6.683 1.881 1.00 0.00 H new ATOM 276 N LEU A 325 -0.604 1.417 2.567 1.00 0.00 N ATOM 277 CA LEU A 325 0.539 0.480 2.747 1.00 0.00 C ATOM 278 C LEU A 325 1.644 0.800 1.737 1.00 0.00 C ATOM 279 O LEU A 325 1.401 0.925 0.553 1.00 0.00 O ATOM 280 CB LEU A 325 0.038 -0.953 2.530 1.00 0.00 C ATOM 281 CG LEU A 325 1.108 -1.965 2.947 1.00 0.00 C ATOM 282 CD1 LEU A 325 0.431 -3.169 3.606 1.00 0.00 C ATOM 283 CD2 LEU A 325 1.875 -2.438 1.707 1.00 0.00 C ATOM 0 H LEU A 325 -1.190 1.232 1.753 1.00 0.00 H new ATOM 0 HA LEU A 325 0.945 0.585 3.753 1.00 0.00 H new ATOM 0 HB2 LEU A 325 -0.871 -1.118 3.108 1.00 0.00 H new ATOM 0 HB3 LEU A 325 -0.220 -1.099 1.481 1.00 0.00 H new ATOM 0 HG LEU A 325 1.799 -1.497 3.648 1.00 0.00 H new ATOM 0 HD11 LEU A 325 1.188 -3.894 3.905 1.00 0.00 H new ATOM 0 HD12 LEU A 325 -0.123 -2.839 4.485 1.00 0.00 H new ATOM 0 HD13 LEU A 325 -0.255 -3.633 2.898 1.00 0.00 H new ATOM 0 HD21 LEU A 325 2.637 -3.159 2.004 1.00 0.00 H new ATOM 0 HD22 LEU A 325 1.183 -2.908 1.009 1.00 0.00 H new ATOM 0 HD23 LEU A 325 2.351 -1.584 1.226 1.00 0.00 H new ATOM 295 N LEU A 326 2.862 0.915 2.195 1.00 0.00 N ATOM 296 CA LEU A 326 3.988 1.206 1.264 1.00 0.00 C ATOM 297 C LEU A 326 4.650 -0.113 0.867 1.00 0.00 C ATOM 298 O LEU A 326 4.874 -0.980 1.689 1.00 0.00 O ATOM 299 CB LEU A 326 5.007 2.115 1.959 1.00 0.00 C ATOM 300 CG LEU A 326 6.154 2.458 0.999 1.00 0.00 C ATOM 301 CD1 LEU A 326 5.664 3.431 -0.075 1.00 0.00 C ATOM 302 CD2 LEU A 326 7.295 3.107 1.786 1.00 0.00 C ATOM 0 H LEU A 326 3.125 0.820 3.176 1.00 0.00 H new ATOM 0 HA LEU A 326 3.616 1.712 0.373 1.00 0.00 H new ATOM 0 HB2 LEU A 326 4.519 3.030 2.295 1.00 0.00 H new ATOM 0 HB3 LEU A 326 5.402 1.619 2.846 1.00 0.00 H new ATOM 0 HG LEU A 326 6.506 1.544 0.521 1.00 0.00 H new ATOM 0 HD11 LEU A 326 6.484 3.669 -0.752 1.00 0.00 H new ATOM 0 HD12 LEU A 326 4.851 2.973 -0.638 1.00 0.00 H new ATOM 0 HD13 LEU A 326 5.307 4.346 0.398 1.00 0.00 H new ATOM 0 HD21 LEU A 326 8.112 3.352 1.107 1.00 0.00 H new ATOM 0 HD22 LEU A 326 6.935 4.018 2.264 1.00 0.00 H new ATOM 0 HD23 LEU A 326 7.652 2.414 2.548 1.00 0.00 H new ATOM 314 N CYS A 327 4.949 -0.282 -0.390 1.00 0.00 N ATOM 315 CA CYS A 327 5.576 -1.553 -0.844 1.00 0.00 C ATOM 316 C CYS A 327 7.091 -1.502 -0.637 1.00 0.00 C ATOM 317 O CYS A 327 7.791 -0.752 -1.286 1.00 0.00 O ATOM 318 CB CYS A 327 5.282 -1.748 -2.328 1.00 0.00 C ATOM 319 SG CYS A 327 6.241 -3.144 -2.958 1.00 0.00 S ATOM 0 H CYS A 327 4.786 0.407 -1.124 1.00 0.00 H new ATOM 0 HA CYS A 327 5.166 -2.380 -0.264 1.00 0.00 H new ATOM 0 HB2 CYS A 327 4.217 -1.928 -2.477 1.00 0.00 H new ATOM 0 HB3 CYS A 327 5.533 -0.843 -2.881 1.00 0.00 H new ATOM 0 HG CYS A 327 5.770 -3.507 -4.114 1.00 0.00 H new ATOM 324 N ASP A 328 7.604 -2.302 0.258 1.00 0.00 N ATOM 325 CA ASP A 328 9.074 -2.310 0.494 1.00 0.00 C ATOM 326 C ASP A 328 9.789 -2.854 -0.746 1.00 0.00 C ATOM 327 O ASP A 328 10.854 -2.398 -1.111 1.00 0.00 O ATOM 328 CB ASP A 328 9.396 -3.197 1.698 1.00 0.00 C ATOM 329 CG ASP A 328 8.826 -2.562 2.968 1.00 0.00 C ATOM 330 OD1 ASP A 328 8.407 -1.418 2.898 1.00 0.00 O ATOM 331 OD2 ASP A 328 8.818 -3.231 3.987 1.00 0.00 O ATOM 0 H ASP A 328 7.068 -2.950 0.835 1.00 0.00 H new ATOM 0 HA ASP A 328 9.413 -1.293 0.692 1.00 0.00 H new ATOM 0 HB2 ASP A 328 8.972 -4.191 1.554 1.00 0.00 H new ATOM 0 HB3 ASP A 328 10.475 -3.321 1.793 1.00 0.00 H new ATOM 336 N GLY A 329 9.213 -3.833 -1.391 1.00 0.00 N ATOM 337 CA GLY A 329 9.862 -4.415 -2.602 1.00 0.00 C ATOM 338 C GLY A 329 10.083 -3.325 -3.651 1.00 0.00 C ATOM 339 O GLY A 329 11.097 -3.289 -4.319 1.00 0.00 O ATOM 0 H GLY A 329 8.321 -4.255 -1.132 1.00 0.00 H new ATOM 0 HA2 GLY A 329 10.815 -4.869 -2.331 1.00 0.00 H new ATOM 0 HA3 GLY A 329 9.237 -5.207 -3.015 1.00 0.00 H new ATOM 343 N CYS A 330 9.144 -2.436 -3.799 1.00 0.00 N ATOM 344 CA CYS A 330 9.301 -1.346 -4.804 1.00 0.00 C ATOM 345 C CYS A 330 8.548 -0.105 -4.322 1.00 0.00 C ATOM 346 O CYS A 330 7.662 -0.189 -3.497 1.00 0.00 O ATOM 347 CB CYS A 330 8.736 -1.806 -6.151 1.00 0.00 C ATOM 348 SG CYS A 330 6.965 -1.443 -6.226 1.00 0.00 S ATOM 0 H CYS A 330 8.273 -2.415 -3.268 1.00 0.00 H new ATOM 0 HA CYS A 330 10.357 -1.105 -4.924 1.00 0.00 H new ATOM 0 HB2 CYS A 330 9.255 -1.301 -6.966 1.00 0.00 H new ATOM 0 HB3 CYS A 330 8.904 -2.875 -6.280 1.00 0.00 H new ATOM 0 HG CYS A 330 6.381 -1.910 -5.163 1.00 0.00 H new ATOM 353 N ASP A 331 8.894 1.047 -4.823 1.00 0.00 N ATOM 354 CA ASP A 331 8.197 2.286 -4.380 1.00 0.00 C ATOM 355 C ASP A 331 6.760 2.280 -4.901 1.00 0.00 C ATOM 356 O ASP A 331 6.467 2.816 -5.952 1.00 0.00 O ATOM 357 CB ASP A 331 8.934 3.510 -4.928 1.00 0.00 C ATOM 358 CG ASP A 331 8.325 4.781 -4.336 1.00 0.00 C ATOM 359 OD1 ASP A 331 7.492 4.660 -3.453 1.00 0.00 O ATOM 360 OD2 ASP A 331 8.702 5.855 -4.776 1.00 0.00 O ATOM 0 H ASP A 331 9.627 1.184 -5.518 1.00 0.00 H new ATOM 0 HA ASP A 331 8.187 2.326 -3.291 1.00 0.00 H new ATOM 0 HB2 ASP A 331 9.993 3.451 -4.678 1.00 0.00 H new ATOM 0 HB3 ASP A 331 8.864 3.533 -6.015 1.00 0.00 H new ATOM 365 N ASP A 332 5.862 1.681 -4.169 1.00 0.00 N ATOM 366 CA ASP A 332 4.441 1.643 -4.612 1.00 0.00 C ATOM 367 C ASP A 332 3.531 1.685 -3.383 1.00 0.00 C ATOM 368 O ASP A 332 3.576 0.811 -2.540 1.00 0.00 O ATOM 369 CB ASP A 332 4.185 0.354 -5.395 1.00 0.00 C ATOM 370 CG ASP A 332 2.773 0.386 -5.984 1.00 0.00 C ATOM 371 OD1 ASP A 332 2.129 1.417 -5.874 1.00 0.00 O ATOM 372 OD2 ASP A 332 2.361 -0.619 -6.538 1.00 0.00 O ATOM 0 H ASP A 332 6.052 1.215 -3.282 1.00 0.00 H new ATOM 0 HA ASP A 332 4.232 2.501 -5.252 1.00 0.00 H new ATOM 0 HB2 ASP A 332 4.921 0.248 -6.192 1.00 0.00 H new ATOM 0 HB3 ASP A 332 4.298 -0.510 -4.740 1.00 0.00 H new ATOM 377 N SER A 333 2.709 2.695 -3.272 1.00 0.00 N ATOM 378 CA SER A 333 1.803 2.794 -2.093 1.00 0.00 C ATOM 379 C SER A 333 0.345 2.683 -2.548 1.00 0.00 C ATOM 380 O SER A 333 -0.060 3.276 -3.528 1.00 0.00 O ATOM 381 CB SER A 333 2.011 4.147 -1.417 1.00 0.00 C ATOM 382 OG SER A 333 3.402 4.367 -1.226 1.00 0.00 O ATOM 0 H SER A 333 2.627 3.455 -3.947 1.00 0.00 H new ATOM 0 HA SER A 333 2.028 1.987 -1.396 1.00 0.00 H new ATOM 0 HB2 SER A 333 1.586 4.942 -2.030 1.00 0.00 H new ATOM 0 HB3 SER A 333 1.492 4.171 -0.459 1.00 0.00 H new ATOM 0 HG SER A 333 3.536 5.196 -0.721 1.00 0.00 H new ATOM 388 N TYR A 334 -0.445 1.937 -1.830 1.00 0.00 N ATOM 389 CA TYR A 334 -1.883 1.789 -2.194 1.00 0.00 C ATOM 390 C TYR A 334 -2.676 1.437 -0.934 1.00 0.00 C ATOM 391 O TYR A 334 -2.140 0.883 0.005 1.00 0.00 O ATOM 392 CB TYR A 334 -2.039 0.682 -3.237 1.00 0.00 C ATOM 393 CG TYR A 334 -1.161 -0.488 -2.868 1.00 0.00 C ATOM 394 CD1 TYR A 334 -1.484 -1.287 -1.766 1.00 0.00 C ATOM 395 CD2 TYR A 334 -0.023 -0.773 -3.630 1.00 0.00 C ATOM 396 CE1 TYR A 334 -0.667 -2.372 -1.425 1.00 0.00 C ATOM 397 CE2 TYR A 334 0.794 -1.858 -3.291 1.00 0.00 C ATOM 398 CZ TYR A 334 0.472 -2.658 -2.188 1.00 0.00 C ATOM 399 OH TYR A 334 1.277 -3.727 -1.853 1.00 0.00 O ATOM 0 H TYR A 334 -0.155 1.419 -1.000 1.00 0.00 H new ATOM 0 HA TYR A 334 -2.259 2.722 -2.615 1.00 0.00 H new ATOM 0 HB2 TYR A 334 -3.080 0.365 -3.293 1.00 0.00 H new ATOM 0 HB3 TYR A 334 -1.767 1.057 -4.224 1.00 0.00 H new ATOM 0 HD1 TYR A 334 -2.363 -1.067 -1.178 1.00 0.00 H new ATOM 0 HD2 TYR A 334 0.225 -0.155 -4.480 1.00 0.00 H new ATOM 0 HE1 TYR A 334 -0.915 -2.988 -0.574 1.00 0.00 H new ATOM 0 HE2 TYR A 334 1.672 -2.078 -3.880 1.00 0.00 H new ATOM 0 HH TYR A 334 1.956 -3.436 -1.209 1.00 0.00 H new ATOM 409 N HIS A 335 -3.945 1.741 -0.895 1.00 0.00 N ATOM 410 CA HIS A 335 -4.727 1.405 0.324 1.00 0.00 C ATOM 411 C HIS A 335 -4.833 -0.115 0.451 1.00 0.00 C ATOM 412 O HIS A 335 -4.682 -0.846 -0.508 1.00 0.00 O ATOM 413 CB HIS A 335 -6.132 2.020 0.262 1.00 0.00 C ATOM 414 CG HIS A 335 -6.024 3.511 0.093 1.00 0.00 C ATOM 415 ND1 HIS A 335 -6.782 4.209 -0.837 1.00 0.00 N ATOM 416 CD2 HIS A 335 -5.266 4.453 0.742 1.00 0.00 C ATOM 417 CE1 HIS A 335 -6.469 5.511 -0.721 1.00 0.00 C ATOM 418 NE2 HIS A 335 -5.551 5.712 0.227 1.00 0.00 N ATOM 0 H HIS A 335 -4.466 2.200 -1.642 1.00 0.00 H new ATOM 0 HA HIS A 335 -4.214 1.816 1.193 1.00 0.00 H new ATOM 0 HB2 HIS A 335 -6.692 1.590 -0.568 1.00 0.00 H new ATOM 0 HB3 HIS A 335 -6.683 1.786 1.173 1.00 0.00 H new ATOM 0 HD1 HIS A 335 -7.455 3.807 -1.490 1.00 0.00 H new ATOM 0 HD2 HIS A 335 -4.558 4.248 1.531 1.00 0.00 H new ATOM 0 HE1 HIS A 335 -6.906 6.296 -1.320 1.00 0.00 H new ATOM 426 N THR A 336 -5.078 -0.590 1.637 1.00 0.00 N ATOM 427 CA THR A 336 -5.184 -2.056 1.866 1.00 0.00 C ATOM 428 C THR A 336 -6.261 -2.656 0.959 1.00 0.00 C ATOM 429 O THR A 336 -6.397 -3.858 0.862 1.00 0.00 O ATOM 430 CB THR A 336 -5.561 -2.292 3.330 1.00 0.00 C ATOM 431 OG1 THR A 336 -6.831 -1.711 3.588 1.00 0.00 O ATOM 432 CG2 THR A 336 -4.508 -1.655 4.239 1.00 0.00 C ATOM 0 H THR A 336 -5.211 -0.017 2.470 1.00 0.00 H new ATOM 0 HA THR A 336 -4.231 -2.533 1.638 1.00 0.00 H new ATOM 0 HB THR A 336 -5.605 -3.363 3.528 1.00 0.00 H new ATOM 0 HG1 THR A 336 -7.145 -1.990 4.473 1.00 0.00 H new ATOM 0 HG21 THR A 336 -4.777 -1.824 5.282 1.00 0.00 H new ATOM 0 HG22 THR A 336 -3.535 -2.103 4.039 1.00 0.00 H new ATOM 0 HG23 THR A 336 -4.460 -0.583 4.045 1.00 0.00 H new ATOM 440 N PHE A 337 -7.025 -1.830 0.294 1.00 0.00 N ATOM 441 CA PHE A 337 -8.091 -2.354 -0.606 1.00 0.00 C ATOM 442 C PHE A 337 -7.922 -1.767 -2.007 1.00 0.00 C ATOM 443 O PHE A 337 -8.682 -2.060 -2.908 1.00 0.00 O ATOM 444 CB PHE A 337 -9.462 -1.963 -0.050 1.00 0.00 C ATOM 445 CG PHE A 337 -9.520 -0.467 0.148 1.00 0.00 C ATOM 446 CD1 PHE A 337 -9.089 0.096 1.355 1.00 0.00 C ATOM 447 CD2 PHE A 337 -10.005 0.356 -0.875 1.00 0.00 C ATOM 448 CE1 PHE A 337 -9.145 1.482 1.540 1.00 0.00 C ATOM 449 CE2 PHE A 337 -10.059 1.743 -0.691 1.00 0.00 C ATOM 450 CZ PHE A 337 -9.628 2.305 0.517 1.00 0.00 C ATOM 0 H PHE A 337 -6.956 -0.813 0.336 1.00 0.00 H new ATOM 0 HA PHE A 337 -8.014 -3.440 -0.661 1.00 0.00 H new ATOM 0 HB2 PHE A 337 -10.248 -2.280 -0.736 1.00 0.00 H new ATOM 0 HB3 PHE A 337 -9.641 -2.473 0.897 1.00 0.00 H new ATOM 0 HD1 PHE A 337 -8.713 -0.539 2.143 1.00 0.00 H new ATOM 0 HD2 PHE A 337 -10.338 -0.079 -1.806 1.00 0.00 H new ATOM 0 HE1 PHE A 337 -8.815 1.916 2.472 1.00 0.00 H new ATOM 0 HE2 PHE A 337 -10.433 2.379 -1.480 1.00 0.00 H new ATOM 0 HZ PHE A 337 -9.668 3.375 0.659 1.00 0.00 H new ATOM 460 N CYS A 338 -6.932 -0.941 -2.200 1.00 0.00 N ATOM 461 CA CYS A 338 -6.719 -0.339 -3.545 1.00 0.00 C ATOM 462 C CYS A 338 -5.867 -1.269 -4.400 1.00 0.00 C ATOM 463 O CYS A 338 -5.576 -0.978 -5.543 1.00 0.00 O ATOM 464 CB CYS A 338 -5.989 0.994 -3.402 1.00 0.00 C ATOM 465 SG CYS A 338 -7.133 2.348 -3.755 1.00 0.00 S ATOM 0 H CYS A 338 -6.262 -0.657 -1.485 1.00 0.00 H new ATOM 0 HA CYS A 338 -7.689 -0.186 -4.018 1.00 0.00 H new ATOM 0 HB2 CYS A 338 -5.589 1.095 -2.393 1.00 0.00 H new ATOM 0 HB3 CYS A 338 -5.141 1.032 -4.086 1.00 0.00 H new ATOM 0 HG CYS A 338 -6.605 3.473 -3.374 1.00 0.00 H new ATOM 470 N LEU A 339 -5.443 -2.376 -3.862 1.00 0.00 N ATOM 471 CA LEU A 339 -4.592 -3.285 -4.670 1.00 0.00 C ATOM 472 C LEU A 339 -4.505 -4.669 -4.020 1.00 0.00 C ATOM 473 O LEU A 339 -4.336 -5.665 -4.694 1.00 0.00 O ATOM 474 CB LEU A 339 -3.190 -2.688 -4.756 1.00 0.00 C ATOM 475 CG LEU A 339 -2.383 -3.445 -5.810 1.00 0.00 C ATOM 476 CD1 LEU A 339 -2.977 -3.184 -7.197 1.00 0.00 C ATOM 477 CD2 LEU A 339 -0.934 -2.963 -5.780 1.00 0.00 C ATOM 0 H LEU A 339 -5.646 -2.687 -2.912 1.00 0.00 H new ATOM 0 HA LEU A 339 -5.029 -3.394 -5.662 1.00 0.00 H new ATOM 0 HB2 LEU A 339 -3.248 -1.631 -5.015 1.00 0.00 H new ATOM 0 HB3 LEU A 339 -2.695 -2.752 -3.787 1.00 0.00 H new ATOM 0 HG LEU A 339 -2.419 -4.513 -5.596 1.00 0.00 H new ATOM 0 HD11 LEU A 339 -2.400 -3.725 -7.947 1.00 0.00 H new ATOM 0 HD12 LEU A 339 -4.012 -3.525 -7.220 1.00 0.00 H new ATOM 0 HD13 LEU A 339 -2.942 -2.116 -7.413 1.00 0.00 H new ATOM 0 HD21 LEU A 339 -0.356 -3.501 -6.531 1.00 0.00 H new ATOM 0 HD22 LEU A 339 -0.901 -1.895 -5.994 1.00 0.00 H new ATOM 0 HD23 LEU A 339 -0.509 -3.148 -4.793 1.00 0.00 H new ATOM 489 N ILE A 340 -4.585 -4.735 -2.720 1.00 0.00 N ATOM 490 CA ILE A 340 -4.470 -6.047 -2.029 1.00 0.00 C ATOM 491 C ILE A 340 -5.816 -6.444 -1.406 1.00 0.00 C ATOM 492 O ILE A 340 -6.584 -5.600 -0.991 1.00 0.00 O ATOM 493 CB ILE A 340 -3.407 -5.907 -0.941 1.00 0.00 C ATOM 494 CG1 ILE A 340 -3.944 -5.032 0.195 1.00 0.00 C ATOM 495 CG2 ILE A 340 -2.162 -5.252 -1.541 1.00 0.00 C ATOM 496 CD1 ILE A 340 -2.821 -4.742 1.192 1.00 0.00 C ATOM 0 H ILE A 340 -4.726 -3.933 -2.105 1.00 0.00 H new ATOM 0 HA ILE A 340 -4.189 -6.825 -2.739 1.00 0.00 H new ATOM 0 HB ILE A 340 -3.155 -6.892 -0.548 1.00 0.00 H new ATOM 0 HG12 ILE A 340 -4.338 -4.098 -0.206 1.00 0.00 H new ATOM 0 HG13 ILE A 340 -4.769 -5.536 0.698 1.00 0.00 H new ATOM 0 HG21 ILE A 340 -1.398 -5.148 -0.770 1.00 0.00 H new ATOM 0 HG22 ILE A 340 -1.779 -5.873 -2.351 1.00 0.00 H new ATOM 0 HG23 ILE A 340 -2.421 -4.267 -1.930 1.00 0.00 H new ATOM 0 HD11 ILE A 340 -3.204 -4.119 2.000 1.00 0.00 H new ATOM 0 HD12 ILE A 340 -2.448 -5.680 1.603 1.00 0.00 H new ATOM 0 HD13 ILE A 340 -2.010 -4.220 0.685 1.00 0.00 H new ATOM 508 N PRO A 341 -6.098 -7.729 -1.334 1.00 0.00 N ATOM 509 CA PRO A 341 -7.366 -8.230 -0.744 1.00 0.00 C ATOM 510 C PRO A 341 -7.678 -7.577 0.611 1.00 0.00 C ATOM 511 O PRO A 341 -8.772 -7.090 0.817 1.00 0.00 O ATOM 512 CB PRO A 341 -7.172 -9.744 -0.587 1.00 0.00 C ATOM 513 CG PRO A 341 -5.828 -10.085 -1.157 1.00 0.00 C ATOM 514 CD PRO A 341 -5.243 -8.827 -1.804 1.00 0.00 C ATOM 0 HA PRO A 341 -8.213 -7.985 -1.385 1.00 0.00 H new ATOM 0 HB2 PRO A 341 -7.228 -10.031 0.463 1.00 0.00 H new ATOM 0 HB3 PRO A 341 -7.959 -10.288 -1.109 1.00 0.00 H new ATOM 0 HG2 PRO A 341 -5.165 -10.451 -0.373 1.00 0.00 H new ATOM 0 HG3 PRO A 341 -5.920 -10.883 -1.894 1.00 0.00 H new ATOM 0 HD2 PRO A 341 -4.206 -8.675 -1.506 1.00 0.00 H new ATOM 0 HD3 PRO A 341 -5.255 -8.900 -2.892 1.00 0.00 H new ATOM 522 N PRO A 342 -6.733 -7.550 1.532 1.00 0.00 N ATOM 523 CA PRO A 342 -6.942 -6.925 2.862 1.00 0.00 C ATOM 524 C PRO A 342 -7.872 -5.709 2.799 1.00 0.00 C ATOM 525 O PRO A 342 -8.084 -5.131 1.754 1.00 0.00 O ATOM 526 CB PRO A 342 -5.532 -6.509 3.265 1.00 0.00 C ATOM 527 CG PRO A 342 -4.626 -7.516 2.634 1.00 0.00 C ATOM 528 CD PRO A 342 -5.371 -8.112 1.432 1.00 0.00 C ATOM 0 HA PRO A 342 -7.423 -7.602 3.568 1.00 0.00 H new ATOM 0 HB2 PRO A 342 -5.304 -5.502 2.915 1.00 0.00 H new ATOM 0 HB3 PRO A 342 -5.419 -6.503 4.349 1.00 0.00 H new ATOM 0 HG2 PRO A 342 -3.695 -7.048 2.315 1.00 0.00 H new ATOM 0 HG3 PRO A 342 -4.363 -8.296 3.348 1.00 0.00 H new ATOM 0 HD2 PRO A 342 -4.895 -7.835 0.492 1.00 0.00 H new ATOM 0 HD3 PRO A 342 -5.386 -9.201 1.473 1.00 0.00 H new ATOM 536 N LEU A 343 -8.432 -5.323 3.912 1.00 0.00 N ATOM 537 CA LEU A 343 -9.357 -4.155 3.920 1.00 0.00 C ATOM 538 C LEU A 343 -9.050 -3.250 5.114 1.00 0.00 C ATOM 539 O LEU A 343 -7.939 -2.793 5.295 1.00 0.00 O ATOM 540 CB LEU A 343 -10.801 -4.653 4.027 1.00 0.00 C ATOM 541 CG LEU A 343 -11.156 -5.496 2.799 1.00 0.00 C ATOM 542 CD1 LEU A 343 -12.543 -6.111 2.989 1.00 0.00 C ATOM 543 CD2 LEU A 343 -11.165 -4.610 1.549 1.00 0.00 C ATOM 0 H LEU A 343 -8.288 -5.767 4.819 1.00 0.00 H new ATOM 0 HA LEU A 343 -9.224 -3.590 2.997 1.00 0.00 H new ATOM 0 HB2 LEU A 343 -10.924 -5.246 4.933 1.00 0.00 H new ATOM 0 HB3 LEU A 343 -11.482 -3.805 4.106 1.00 0.00 H new ATOM 0 HG LEU A 343 -10.415 -6.286 2.679 1.00 0.00 H new ATOM 0 HD11 LEU A 343 -12.797 -6.712 2.116 1.00 0.00 H new ATOM 0 HD12 LEU A 343 -12.542 -6.744 3.877 1.00 0.00 H new ATOM 0 HD13 LEU A 343 -13.280 -5.317 3.110 1.00 0.00 H new ATOM 0 HD21 LEU A 343 -11.418 -5.213 0.677 1.00 0.00 H new ATOM 0 HD22 LEU A 343 -11.905 -3.818 1.669 1.00 0.00 H new ATOM 0 HD23 LEU A 343 -10.179 -4.167 1.410 1.00 0.00 H new ATOM 555 N HIS A 344 -10.037 -2.981 5.924 1.00 0.00 N ATOM 556 CA HIS A 344 -9.823 -2.098 7.104 1.00 0.00 C ATOM 557 C HIS A 344 -8.642 -2.604 7.936 1.00 0.00 C ATOM 558 O HIS A 344 -7.876 -1.831 8.474 1.00 0.00 O ATOM 559 CB HIS A 344 -11.087 -2.093 7.967 1.00 0.00 C ATOM 560 CG HIS A 344 -12.224 -1.492 7.188 1.00 0.00 C ATOM 561 ND1 HIS A 344 -13.549 -1.656 7.568 1.00 0.00 N ATOM 562 CD2 HIS A 344 -12.252 -0.723 6.051 1.00 0.00 C ATOM 563 CE1 HIS A 344 -14.313 -1.001 6.672 1.00 0.00 C ATOM 564 NE2 HIS A 344 -13.570 -0.418 5.730 1.00 0.00 N ATOM 0 H HIS A 344 -10.987 -3.337 5.818 1.00 0.00 H new ATOM 0 HA HIS A 344 -9.606 -1.087 6.758 1.00 0.00 H new ATOM 0 HB2 HIS A 344 -11.337 -3.110 8.270 1.00 0.00 H new ATOM 0 HB3 HIS A 344 -10.915 -1.522 8.879 1.00 0.00 H new ATOM 0 HD2 HIS A 344 -11.384 -0.404 5.492 1.00 0.00 H new ATOM 0 HE1 HIS A 344 -15.391 -0.954 6.712 1.00 0.00 H new ATOM 0 HE2 HIS A 344 -13.900 0.136 4.939 1.00 0.00 H new ATOM 573 N ASP A 345 -8.495 -3.894 8.054 1.00 0.00 N ATOM 574 CA ASP A 345 -7.369 -4.439 8.863 1.00 0.00 C ATOM 575 C ASP A 345 -6.097 -4.508 8.014 1.00 0.00 C ATOM 576 O ASP A 345 -6.038 -5.205 7.021 1.00 0.00 O ATOM 577 CB ASP A 345 -7.728 -5.840 9.359 1.00 0.00 C ATOM 578 CG ASP A 345 -6.633 -6.347 10.300 1.00 0.00 C ATOM 579 OD1 ASP A 345 -5.760 -5.564 10.636 1.00 0.00 O ATOM 580 OD2 ASP A 345 -6.688 -7.508 10.670 1.00 0.00 O ATOM 0 H ASP A 345 -9.103 -4.593 7.627 1.00 0.00 H new ATOM 0 HA ASP A 345 -7.193 -3.783 9.715 1.00 0.00 H new ATOM 0 HB2 ASP A 345 -8.686 -5.819 9.878 1.00 0.00 H new ATOM 0 HB3 ASP A 345 -7.838 -6.519 8.514 1.00 0.00 H new ATOM 585 N VAL A 346 -5.077 -3.791 8.403 1.00 0.00 N ATOM 586 CA VAL A 346 -3.804 -3.815 7.628 1.00 0.00 C ATOM 587 C VAL A 346 -3.015 -5.084 7.998 1.00 0.00 C ATOM 588 O VAL A 346 -2.910 -5.424 9.159 1.00 0.00 O ATOM 589 CB VAL A 346 -2.978 -2.576 7.988 1.00 0.00 C ATOM 590 CG1 VAL A 346 -1.706 -2.532 7.141 1.00 0.00 C ATOM 591 CG2 VAL A 346 -3.809 -1.318 7.721 1.00 0.00 C ATOM 0 H VAL A 346 -5.071 -3.189 9.226 1.00 0.00 H new ATOM 0 HA VAL A 346 -4.016 -3.816 6.559 1.00 0.00 H new ATOM 0 HB VAL A 346 -2.705 -2.622 9.042 1.00 0.00 H new ATOM 0 HG11 VAL A 346 -1.125 -1.648 7.403 1.00 0.00 H new ATOM 0 HG12 VAL A 346 -1.112 -3.426 7.330 1.00 0.00 H new ATOM 0 HG13 VAL A 346 -1.973 -2.490 6.085 1.00 0.00 H new ATOM 0 HG21 VAL A 346 -3.224 -0.434 7.976 1.00 0.00 H new ATOM 0 HG22 VAL A 346 -4.083 -1.280 6.667 1.00 0.00 H new ATOM 0 HG23 VAL A 346 -4.713 -1.343 8.330 1.00 0.00 H new ATOM 601 N PRO A 347 -2.465 -5.788 7.031 1.00 0.00 N ATOM 602 CA PRO A 347 -1.686 -7.033 7.304 1.00 0.00 C ATOM 603 C PRO A 347 -0.384 -6.750 8.061 1.00 0.00 C ATOM 604 O PRO A 347 0.273 -5.753 7.836 1.00 0.00 O ATOM 605 CB PRO A 347 -1.385 -7.605 5.916 1.00 0.00 C ATOM 606 CG PRO A 347 -1.526 -6.464 4.966 1.00 0.00 C ATOM 607 CD PRO A 347 -2.516 -5.484 5.591 1.00 0.00 C ATOM 0 HA PRO A 347 -2.245 -7.720 7.939 1.00 0.00 H new ATOM 0 HB2 PRO A 347 -0.380 -8.025 5.876 1.00 0.00 H new ATOM 0 HB3 PRO A 347 -2.077 -8.409 5.666 1.00 0.00 H new ATOM 0 HG2 PRO A 347 -0.563 -5.983 4.795 1.00 0.00 H new ATOM 0 HG3 PRO A 347 -1.886 -6.811 3.997 1.00 0.00 H new ATOM 0 HD2 PRO A 347 -2.233 -4.450 5.392 1.00 0.00 H new ATOM 0 HD3 PRO A 347 -3.520 -5.622 5.190 1.00 0.00 H new ATOM 615 N LYS A 348 -0.005 -7.621 8.958 1.00 0.00 N ATOM 616 CA LYS A 348 1.252 -7.400 9.728 1.00 0.00 C ATOM 617 C LYS A 348 2.424 -7.339 8.756 1.00 0.00 C ATOM 618 O LYS A 348 3.297 -6.502 8.860 1.00 0.00 O ATOM 619 CB LYS A 348 1.468 -8.574 10.681 1.00 0.00 C ATOM 620 CG LYS A 348 0.238 -8.733 11.563 1.00 0.00 C ATOM 621 CD LYS A 348 0.493 -9.816 12.614 1.00 0.00 C ATOM 622 CE LYS A 348 -0.786 -10.064 13.415 1.00 0.00 C ATOM 623 NZ LYS A 348 -1.177 -8.813 14.125 1.00 0.00 N ATOM 0 H LYS A 348 -0.512 -8.475 9.190 1.00 0.00 H new ATOM 0 HA LYS A 348 1.181 -6.469 10.291 1.00 0.00 H new ATOM 0 HB2 LYS A 348 1.646 -9.489 10.116 1.00 0.00 H new ATOM 0 HB3 LYS A 348 2.352 -8.402 11.296 1.00 0.00 H new ATOM 0 HG2 LYS A 348 0.004 -7.787 12.051 1.00 0.00 H new ATOM 0 HG3 LYS A 348 -0.626 -9.000 10.954 1.00 0.00 H new ATOM 0 HD2 LYS A 348 0.816 -10.738 12.130 1.00 0.00 H new ATOM 0 HD3 LYS A 348 1.298 -9.507 13.281 1.00 0.00 H new ATOM 0 HE2 LYS A 348 -1.588 -10.384 12.750 1.00 0.00 H new ATOM 0 HE3 LYS A 348 -0.628 -10.868 14.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 348 -1.868 -9.038 14.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 348 -0.335 -8.380 14.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 348 -1.601 -8.147 13.448 1.00 0.00 H new ATOM 637 N GLY A 349 2.439 -8.228 7.809 1.00 0.00 N ATOM 638 CA GLY A 349 3.547 -8.244 6.811 1.00 0.00 C ATOM 639 C GLY A 349 3.291 -7.177 5.750 1.00 0.00 C ATOM 640 O GLY A 349 2.174 -6.969 5.322 1.00 0.00 O ATOM 0 H GLY A 349 1.730 -8.950 7.679 1.00 0.00 H new ATOM 0 HA2 GLY A 349 4.500 -8.058 7.307 1.00 0.00 H new ATOM 0 HA3 GLY A 349 3.617 -9.227 6.345 1.00 0.00 H new ATOM 644 N ASP A 350 4.319 -6.503 5.314 1.00 0.00 N ATOM 645 CA ASP A 350 4.132 -5.459 4.275 1.00 0.00 C ATOM 646 C ASP A 350 3.659 -6.128 2.985 1.00 0.00 C ATOM 647 O ASP A 350 4.061 -7.228 2.664 1.00 0.00 O ATOM 648 CB ASP A 350 5.461 -4.746 4.033 1.00 0.00 C ATOM 649 CG ASP A 350 5.854 -3.965 5.288 1.00 0.00 C ATOM 650 OD1 ASP A 350 5.007 -3.798 6.149 1.00 0.00 O ATOM 651 OD2 ASP A 350 6.998 -3.546 5.368 1.00 0.00 O ATOM 0 H ASP A 350 5.279 -6.632 5.634 1.00 0.00 H new ATOM 0 HA ASP A 350 3.390 -4.731 4.602 1.00 0.00 H new ATOM 0 HB2 ASP A 350 6.236 -5.472 3.785 1.00 0.00 H new ATOM 0 HB3 ASP A 350 5.374 -4.070 3.183 1.00 0.00 H new ATOM 656 N TRP A 351 2.805 -5.480 2.245 1.00 0.00 N ATOM 657 CA TRP A 351 2.309 -6.093 0.984 1.00 0.00 C ATOM 658 C TRP A 351 3.130 -5.572 -0.193 1.00 0.00 C ATOM 659 O TRP A 351 3.452 -4.402 -0.274 1.00 0.00 O ATOM 660 CB TRP A 351 0.837 -5.736 0.778 1.00 0.00 C ATOM 661 CG TRP A 351 0.078 -6.968 0.405 1.00 0.00 C ATOM 662 CD1 TRP A 351 -0.562 -7.780 1.277 1.00 0.00 C ATOM 663 CD2 TRP A 351 -0.132 -7.542 -0.919 1.00 0.00 C ATOM 664 NE1 TRP A 351 -1.153 -8.815 0.574 1.00 0.00 N ATOM 665 CE2 TRP A 351 -0.916 -8.713 -0.782 1.00 0.00 C ATOM 666 CE3 TRP A 351 0.277 -7.165 -2.210 1.00 0.00 C ATOM 667 CZ2 TRP A 351 -1.282 -9.482 -1.888 1.00 0.00 C ATOM 668 CZ3 TRP A 351 -0.089 -7.938 -3.325 1.00 0.00 C ATOM 669 CH2 TRP A 351 -0.866 -9.094 -3.164 1.00 0.00 C ATOM 0 H TRP A 351 2.430 -4.556 2.458 1.00 0.00 H new ATOM 0 HA TRP A 351 2.410 -7.176 1.047 1.00 0.00 H new ATOM 0 HB2 TRP A 351 0.425 -5.303 1.689 1.00 0.00 H new ATOM 0 HB3 TRP A 351 0.739 -4.984 -0.005 1.00 0.00 H new ATOM 0 HD1 TRP A 351 -0.605 -7.643 2.347 1.00 0.00 H new ATOM 0 HE1 TRP A 351 -1.697 -9.562 1.005 1.00 0.00 H new ATOM 0 HE3 TRP A 351 0.876 -6.276 -2.346 1.00 0.00 H new ATOM 0 HZ2 TRP A 351 -1.882 -10.370 -1.758 1.00 0.00 H new ATOM 0 HZ3 TRP A 351 0.230 -7.640 -4.313 1.00 0.00 H new ATOM 0 HH2 TRP A 351 -1.143 -9.684 -4.025 1.00 0.00 H new ATOM 680 N ARG A 352 3.473 -6.438 -1.101 1.00 0.00 N ATOM 681 CA ARG A 352 4.279 -6.023 -2.279 1.00 0.00 C ATOM 682 C ARG A 352 3.476 -6.259 -3.552 1.00 0.00 C ATOM 683 O ARG A 352 2.838 -7.280 -3.718 1.00 0.00 O ATOM 684 CB ARG A 352 5.558 -6.854 -2.322 1.00 0.00 C ATOM 685 CG ARG A 352 6.438 -6.486 -1.129 1.00 0.00 C ATOM 686 CD ARG A 352 7.665 -7.392 -1.113 1.00 0.00 C ATOM 687 NE ARG A 352 8.584 -6.967 -0.019 1.00 0.00 N ATOM 688 CZ ARG A 352 9.427 -7.820 0.493 1.00 0.00 C ATOM 689 NH1 ARG A 352 9.465 -9.046 0.048 1.00 0.00 N ATOM 690 NH2 ARG A 352 10.232 -7.447 1.451 1.00 0.00 N ATOM 0 H ARG A 352 3.226 -7.427 -1.077 1.00 0.00 H new ATOM 0 HA ARG A 352 4.529 -4.965 -2.202 1.00 0.00 H new ATOM 0 HB2 ARG A 352 5.316 -7.917 -2.296 1.00 0.00 H new ATOM 0 HB3 ARG A 352 6.093 -6.671 -3.254 1.00 0.00 H new ATOM 0 HG2 ARG A 352 6.743 -5.442 -1.195 1.00 0.00 H new ATOM 0 HG3 ARG A 352 5.878 -6.596 -0.201 1.00 0.00 H new ATOM 0 HD2 ARG A 352 7.363 -8.429 -0.966 1.00 0.00 H new ATOM 0 HD3 ARG A 352 8.179 -7.343 -2.073 1.00 0.00 H new ATOM 0 HE ARG A 352 8.553 -6.009 0.329 1.00 0.00 H new ATOM 0 HH11 ARG A 352 8.835 -9.337 -0.700 1.00 0.00 H new ATOM 0 HH12 ARG A 352 10.124 -9.714 0.448 1.00 0.00 H new ATOM 0 HH21 ARG A 352 10.201 -6.489 1.799 1.00 0.00 H new ATOM 0 HH22 ARG A 352 10.891 -8.114 1.852 1.00 0.00 H new ATOM 704 N CYS A 353 3.504 -5.323 -4.455 1.00 0.00 N ATOM 705 CA CYS A 353 2.746 -5.494 -5.717 1.00 0.00 C ATOM 706 C CYS A 353 3.317 -6.714 -6.461 1.00 0.00 C ATOM 707 O CYS A 353 4.455 -7.086 -6.268 1.00 0.00 O ATOM 708 CB CYS A 353 2.876 -4.222 -6.561 1.00 0.00 C ATOM 709 SG CYS A 353 3.536 -2.877 -5.540 1.00 0.00 S ATOM 0 H CYS A 353 4.020 -4.447 -4.372 1.00 0.00 H new ATOM 0 HA CYS A 353 1.688 -5.661 -5.517 1.00 0.00 H new ATOM 0 HB2 CYS A 353 3.534 -4.403 -7.411 1.00 0.00 H new ATOM 0 HB3 CYS A 353 1.904 -3.941 -6.965 1.00 0.00 H new ATOM 0 HG CYS A 353 2.713 -1.871 -5.563 1.00 0.00 H new ATOM 714 N PRO A 354 2.515 -7.367 -7.257 1.00 0.00 N ATOM 715 CA PRO A 354 2.929 -8.604 -7.991 1.00 0.00 C ATOM 716 C PRO A 354 4.261 -8.470 -8.749 1.00 0.00 C ATOM 717 O PRO A 354 5.055 -9.390 -8.772 1.00 0.00 O ATOM 718 CB PRO A 354 1.783 -8.862 -8.982 1.00 0.00 C ATOM 719 CG PRO A 354 0.875 -7.672 -8.904 1.00 0.00 C ATOM 720 CD PRO A 354 1.128 -7.005 -7.557 1.00 0.00 C ATOM 0 HA PRO A 354 3.100 -9.417 -7.285 1.00 0.00 H new ATOM 0 HB2 PRO A 354 2.167 -8.991 -9.994 1.00 0.00 H new ATOM 0 HB3 PRO A 354 1.247 -9.776 -8.726 1.00 0.00 H new ATOM 0 HG2 PRO A 354 1.076 -6.979 -9.721 1.00 0.00 H new ATOM 0 HG3 PRO A 354 -0.168 -7.976 -8.994 1.00 0.00 H new ATOM 0 HD2 PRO A 354 0.997 -5.924 -7.612 1.00 0.00 H new ATOM 0 HD3 PRO A 354 0.443 -7.370 -6.792 1.00 0.00 H new ATOM 728 N LYS A 355 4.519 -7.352 -9.369 1.00 0.00 N ATOM 729 CA LYS A 355 5.804 -7.206 -10.120 1.00 0.00 C ATOM 730 C LYS A 355 6.995 -7.398 -9.179 1.00 0.00 C ATOM 731 O LYS A 355 7.992 -7.995 -9.534 1.00 0.00 O ATOM 732 CB LYS A 355 5.874 -5.812 -10.742 1.00 0.00 C ATOM 733 CG LYS A 355 5.792 -4.763 -9.636 1.00 0.00 C ATOM 734 CD LYS A 355 5.730 -3.367 -10.260 1.00 0.00 C ATOM 735 CE LYS A 355 5.901 -2.311 -9.166 1.00 0.00 C ATOM 736 NZ LYS A 355 4.747 -2.379 -8.224 1.00 0.00 N ATOM 0 H LYS A 355 3.904 -6.538 -9.390 1.00 0.00 H new ATOM 0 HA LYS A 355 5.843 -7.965 -10.902 1.00 0.00 H new ATOM 0 HB2 LYS A 355 6.803 -5.696 -11.301 1.00 0.00 H new ATOM 0 HB3 LYS A 355 5.057 -5.675 -11.450 1.00 0.00 H new ATOM 0 HG2 LYS A 355 4.910 -4.937 -9.020 1.00 0.00 H new ATOM 0 HG3 LYS A 355 6.659 -4.842 -8.980 1.00 0.00 H new ATOM 0 HD2 LYS A 355 6.512 -3.258 -11.011 1.00 0.00 H new ATOM 0 HD3 LYS A 355 4.777 -3.227 -10.770 1.00 0.00 H new ATOM 0 HE2 LYS A 355 6.834 -2.478 -8.628 1.00 0.00 H new ATOM 0 HE3 LYS A 355 5.963 -1.318 -9.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 355 4.199 -1.497 -8.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 355 4.138 -3.182 -8.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 355 5.098 -2.505 -7.253 1.00 0.00 H new ATOM 750 N CYS A 356 6.896 -6.890 -7.990 1.00 0.00 N ATOM 751 CA CYS A 356 8.015 -7.025 -7.015 1.00 0.00 C ATOM 752 C CYS A 356 8.083 -8.468 -6.519 1.00 0.00 C ATOM 753 O CYS A 356 9.146 -9.012 -6.292 1.00 0.00 O ATOM 754 CB CYS A 356 7.762 -6.078 -5.839 1.00 0.00 C ATOM 755 SG CYS A 356 6.222 -5.182 -6.149 1.00 0.00 S ATOM 0 H CYS A 356 6.082 -6.381 -7.644 1.00 0.00 H new ATOM 0 HA CYS A 356 8.961 -6.769 -7.491 1.00 0.00 H new ATOM 0 HB2 CYS A 356 7.693 -6.640 -4.908 1.00 0.00 H new ATOM 0 HB3 CYS A 356 8.592 -5.380 -5.729 1.00 0.00 H new ATOM 0 HG CYS A 356 5.235 -6.025 -6.214 1.00 0.00 H new ATOM 760 N LEU A 357 6.951 -9.092 -6.347 1.00 0.00 N ATOM 761 CA LEU A 357 6.937 -10.500 -5.865 1.00 0.00 C ATOM 762 C LEU A 357 7.620 -11.404 -6.894 1.00 0.00 C ATOM 763 O LEU A 357 8.303 -12.348 -6.550 1.00 0.00 O ATOM 764 CB LEU A 357 5.491 -10.949 -5.665 1.00 0.00 C ATOM 765 CG LEU A 357 5.469 -12.345 -5.037 1.00 0.00 C ATOM 766 CD1 LEU A 357 5.991 -12.278 -3.599 1.00 0.00 C ATOM 767 CD2 LEU A 357 4.034 -12.878 -5.031 1.00 0.00 C ATOM 0 H LEU A 357 6.032 -8.685 -6.520 1.00 0.00 H new ATOM 0 HA LEU A 357 7.474 -10.567 -4.919 1.00 0.00 H new ATOM 0 HB2 LEU A 357 4.966 -10.242 -5.023 1.00 0.00 H new ATOM 0 HB3 LEU A 357 4.968 -10.961 -6.621 1.00 0.00 H new ATOM 0 HG LEU A 357 6.106 -13.010 -5.620 1.00 0.00 H new ATOM 0 HD11 LEU A 357 5.972 -13.275 -3.158 1.00 0.00 H new ATOM 0 HD12 LEU A 357 7.014 -11.901 -3.600 1.00 0.00 H new ATOM 0 HD13 LEU A 357 5.359 -11.611 -3.013 1.00 0.00 H new ATOM 0 HD21 LEU A 357 4.017 -13.872 -4.584 1.00 0.00 H new ATOM 0 HD22 LEU A 357 3.400 -12.208 -4.451 1.00 0.00 H new ATOM 0 HD23 LEU A 357 3.662 -12.934 -6.054 1.00 0.00 H new ATOM 779 N ALA A 358 7.435 -11.125 -8.154 1.00 0.00 N ATOM 780 CA ALA A 358 8.068 -11.971 -9.206 1.00 0.00 C ATOM 781 C ALA A 358 9.590 -11.906 -9.071 1.00 0.00 C ATOM 782 O ALA A 358 10.287 -12.867 -9.325 1.00 0.00 O ATOM 783 CB ALA A 358 7.656 -11.460 -10.588 1.00 0.00 C ATOM 0 H ALA A 358 6.873 -10.348 -8.502 1.00 0.00 H new ATOM 0 HA ALA A 358 7.738 -13.003 -9.086 1.00 0.00 H new ATOM 0 HB1 ALA A 358 8.119 -12.078 -11.357 1.00 0.00 H new ATOM 0 HB2 ALA A 358 6.572 -11.510 -10.686 1.00 0.00 H new ATOM 0 HB3 ALA A 358 7.984 -10.427 -10.707 1.00 0.00 H new ATOM 789 N GLN A 359 10.111 -10.779 -8.671 1.00 0.00 N ATOM 790 CA GLN A 359 11.589 -10.656 -8.520 1.00 0.00 C ATOM 791 C GLN A 359 12.084 -11.683 -7.500 1.00 0.00 C ATOM 792 O GLN A 359 13.162 -12.230 -7.629 1.00 0.00 O ATOM 793 CB GLN A 359 11.938 -9.246 -8.037 1.00 0.00 C ATOM 794 CG GLN A 359 11.539 -8.227 -9.106 1.00 0.00 C ATOM 795 CD GLN A 359 11.996 -6.832 -8.678 1.00 0.00 C ATOM 796 OE1 GLN A 359 11.819 -5.872 -9.403 1.00 0.00 O ATOM 797 NE2 GLN A 359 12.581 -6.676 -7.522 1.00 0.00 N ATOM 0 H GLN A 359 9.579 -9.939 -8.442 1.00 0.00 H new ATOM 0 HA GLN A 359 12.069 -10.839 -9.481 1.00 0.00 H new ATOM 0 HB2 GLN A 359 11.419 -9.031 -7.103 1.00 0.00 H new ATOM 0 HB3 GLN A 359 13.006 -9.174 -7.832 1.00 0.00 H new ATOM 0 HG2 GLN A 359 11.991 -8.492 -10.062 1.00 0.00 H new ATOM 0 HG3 GLN A 359 10.459 -8.239 -9.250 1.00 0.00 H new ATOM 0 HE21 GLN A 359 12.730 -7.481 -6.913 1.00 0.00 H new ATOM 0 HE22 GLN A 359 12.889 -5.749 -7.227 1.00 0.00 H new ATOM 806 N GLU A 360 11.305 -11.947 -6.489 1.00 0.00 N ATOM 807 CA GLU A 360 11.725 -12.936 -5.462 1.00 0.00 C ATOM 808 C GLU A 360 11.364 -14.347 -5.931 1.00 0.00 C ATOM 809 O GLU A 360 11.908 -14.773 -6.936 1.00 0.00 O ATOM 810 CB GLU A 360 11.004 -12.632 -4.150 1.00 0.00 C ATOM 811 CG GLU A 360 11.440 -11.260 -3.632 1.00 0.00 C ATOM 812 CD GLU A 360 10.772 -10.987 -2.283 1.00 0.00 C ATOM 813 OE1 GLU A 360 9.900 -11.755 -1.911 1.00 0.00 O ATOM 814 OE2 GLU A 360 11.144 -10.016 -1.646 1.00 0.00 O ATOM 815 OXT GLU A 360 10.550 -14.976 -5.276 1.00 0.00 O ATOM 0 H GLU A 360 10.393 -11.518 -6.330 1.00 0.00 H new ATOM 0 HA GLU A 360 12.803 -12.873 -5.311 1.00 0.00 H new ATOM 0 HB2 GLU A 360 9.925 -12.648 -4.304 1.00 0.00 H new ATOM 0 HB3 GLU A 360 11.232 -13.400 -3.411 1.00 0.00 H new ATOM 0 HG2 GLU A 360 12.524 -11.228 -3.526 1.00 0.00 H new ATOM 0 HG3 GLU A 360 11.166 -10.485 -4.348 1.00 0.00 H new