USER MOD reduce.3.24.130724 H: found=0, std=0, add=329, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 330 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 421 SER OG : rot 180:sc= 0 USER MOD Single : A 423 MET CE :methyl -162:sc= -0.102 (180deg=-0.453) USER MOD Single : A 433 MET CE :methyl -162:sc= -0.0271 (180deg=-0.55) USER MOD Single : A 434 THR OG1 : rot 68:sc= 1.29 USER MOD Single : A 436 GLN : amide:sc= 0.489 X(o=0.49,f=0) USER MOD Single : A 464 GLN : amide:sc= -1.16! K(o=-1.2!,f=0) USER MOD Single : A 467 GLN : amide:sc= 0.179 X(o=0.18,f=-0.012) USER MOD Single : A 473 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 477 HIS : no HD1:sc= -0.0224 X(o=-0.022,f=0) USER MOD Single : A 482 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 483 THR OG1 : rot -79:sc= 0.151 USER MOD Single : A 484 GLN : amide:sc= 0.228 X(o=0.23,f=0) USER MOD ----------------------------------------------------------------- ATOM 113 N GLU A 419 -22.884 -33.222 -57.441 1.00 25.00 N ATOM 114 CA GLU A 419 -22.013 -33.751 -56.390 1.00 25.00 C ATOM 115 C GLU A 419 -21.374 -35.052 -56.853 1.00 25.00 C ATOM 116 O GLU A 419 -20.294 -35.399 -56.424 1.00 25.00 O ATOM 117 CB GLU A 419 -22.803 -34.022 -55.104 1.00 25.00 C ATOM 118 CG GLU A 419 -23.426 -32.785 -54.469 1.00 25.00 C ATOM 119 CD GLU A 419 -24.241 -33.134 -53.231 1.00 25.00 C ATOM 120 OE1 GLU A 419 -25.353 -33.690 -53.387 1.00 25.00 O ATOM 121 OE2 GLU A 419 -23.785 -32.874 -52.099 1.00 25.00 O ATOM 0 HA GLU A 419 -21.245 -33.005 -56.186 1.00 25.00 H new ATOM 0 HB2 GLU A 419 -23.594 -34.739 -55.324 1.00 25.00 H new ATOM 0 HB3 GLU A 419 -22.140 -34.492 -54.378 1.00 25.00 H new ATOM 0 HG2 GLU A 419 -22.640 -32.080 -54.200 1.00 25.00 H new ATOM 0 HG3 GLU A 419 -24.066 -32.286 -55.197 1.00 25.00 H new ATOM 128 N VAL A 420 -22.045 -35.768 -57.745 1.00 25.00 N ATOM 129 CA VAL A 420 -21.510 -37.022 -58.274 1.00 25.00 C ATOM 130 C VAL A 420 -20.343 -36.709 -59.218 1.00 25.00 C ATOM 131 O VAL A 420 -19.374 -37.457 -59.301 1.00 25.00 O ATOM 132 CB VAL A 420 -22.612 -37.838 -59.016 1.00 25.00 C ATOM 133 CG1 VAL A 420 -22.095 -39.223 -59.415 1.00 25.00 C ATOM 134 CG2 VAL A 420 -23.847 -38.005 -58.112 1.00 25.00 C ATOM 0 H VAL A 420 -22.957 -35.506 -58.118 1.00 25.00 H new ATOM 0 HA VAL A 420 -21.156 -37.634 -57.444 1.00 25.00 H new ATOM 0 HB VAL A 420 -22.884 -37.288 -59.917 1.00 25.00 H new ATOM 0 HG11 VAL A 420 -22.884 -39.771 -59.931 1.00 25.00 H new ATOM 0 HG12 VAL A 420 -21.236 -39.114 -60.077 1.00 25.00 H new ATOM 0 HG13 VAL A 420 -21.797 -39.771 -58.521 1.00 25.00 H new ATOM 0 HG21 VAL A 420 -24.610 -38.576 -58.640 1.00 25.00 H new ATOM 0 HG22 VAL A 420 -23.563 -38.534 -57.202 1.00 25.00 H new ATOM 0 HG23 VAL A 420 -24.243 -37.023 -57.853 1.00 25.00 H new ATOM 144 N SER A 421 -20.421 -35.587 -59.916 1.00 25.00 N ATOM 145 CA SER A 421 -19.330 -35.174 -60.795 1.00 25.00 C ATOM 146 C SER A 421 -18.136 -34.742 -59.951 1.00 25.00 C ATOM 147 O SER A 421 -16.988 -35.018 -60.295 1.00 25.00 O ATOM 148 CB SER A 421 -19.772 -34.018 -61.687 1.00 25.00 C ATOM 149 OG SER A 421 -20.917 -34.386 -62.442 1.00 25.00 O ATOM 0 H SER A 421 -21.217 -34.950 -59.895 1.00 25.00 H new ATOM 0 HA SER A 421 -19.049 -36.015 -61.428 1.00 25.00 H new ATOM 0 HB2 SER A 421 -19.997 -33.144 -61.076 1.00 25.00 H new ATOM 0 HB3 SER A 421 -18.960 -33.737 -62.358 1.00 25.00 H new ATOM 0 HG SER A 421 -21.191 -33.635 -63.008 1.00 25.00 H new ATOM 155 N ASP A 422 -18.415 -34.079 -58.837 1.00 25.00 N ATOM 156 CA ASP A 422 -17.363 -33.637 -57.922 1.00 25.00 C ATOM 157 C ASP A 422 -16.720 -34.850 -57.267 1.00 25.00 C ATOM 158 O ASP A 422 -15.522 -34.864 -56.995 1.00 25.00 O ATOM 159 CB ASP A 422 -17.939 -32.721 -56.831 1.00 25.00 C ATOM 160 CG ASP A 422 -18.526 -31.431 -57.389 1.00 25.00 C ATOM 161 OD1 ASP A 422 -17.925 -30.837 -58.311 1.00 25.00 O ATOM 162 OD2 ASP A 422 -19.595 -31.006 -56.888 1.00 25.00 O ATOM 0 H ASP A 422 -19.360 -33.834 -58.542 1.00 25.00 H new ATOM 0 HA ASP A 422 -16.620 -33.080 -58.492 1.00 25.00 H new ATOM 0 HB2 ASP A 422 -18.713 -33.259 -56.283 1.00 25.00 H new ATOM 0 HB3 ASP A 422 -17.153 -32.477 -56.116 1.00 25.00 H new ATOM 167 N MET A 423 -17.528 -35.872 -57.032 1.00 25.00 N ATOM 168 CA MET A 423 -17.063 -37.113 -56.425 1.00 25.00 C ATOM 169 C MET A 423 -16.005 -37.758 -57.308 1.00 25.00 C ATOM 170 O MET A 423 -14.990 -38.224 -56.826 1.00 25.00 O ATOM 171 CB MET A 423 -18.247 -38.064 -56.233 1.00 25.00 C ATOM 172 CG MET A 423 -18.027 -39.163 -55.218 1.00 25.00 C ATOM 173 SD MET A 423 -19.521 -40.197 -55.050 1.00 25.00 S ATOM 174 CE MET A 423 -20.724 -39.042 -54.320 1.00 25.00 C ATOM 0 H MET A 423 -18.523 -35.866 -57.256 1.00 25.00 H new ATOM 0 HA MET A 423 -16.620 -36.897 -55.453 1.00 25.00 H new ATOM 0 HB2 MET A 423 -19.117 -37.481 -55.931 1.00 25.00 H new ATOM 0 HB3 MET A 423 -18.487 -38.520 -57.194 1.00 25.00 H new ATOM 0 HG2 MET A 423 -17.183 -39.782 -55.522 1.00 25.00 H new ATOM 0 HG3 MET A 423 -17.770 -38.727 -54.253 1.00 25.00 H new ATOM 0 HE1 MET A 423 -21.547 -39.604 -53.879 1.00 25.00 H new ATOM 0 HE2 MET A 423 -20.235 -38.448 -53.548 1.00 25.00 H new ATOM 0 HE3 MET A 423 -21.111 -38.381 -55.096 1.00 25.00 H new ATOM 184 N ALA A 424 -16.241 -37.766 -58.611 1.00 25.00 N ATOM 185 CA ALA A 424 -15.303 -38.389 -59.541 1.00 25.00 C ATOM 186 C ALA A 424 -13.976 -37.618 -59.564 1.00 25.00 C ATOM 187 O ALA A 424 -12.902 -38.196 -59.738 1.00 25.00 O ATOM 188 CB ALA A 424 -15.921 -38.436 -60.944 1.00 25.00 C ATOM 0 H ALA A 424 -17.065 -37.353 -59.048 1.00 25.00 H new ATOM 0 HA ALA A 424 -15.098 -39.407 -59.209 1.00 25.00 H new ATOM 0 HB1 ALA A 424 -15.219 -38.901 -61.636 1.00 25.00 H new ATOM 0 HB2 ALA A 424 -16.842 -39.018 -60.916 1.00 25.00 H new ATOM 0 HB3 ALA A 424 -16.142 -37.422 -61.278 1.00 25.00 H new ATOM 194 N ALA A 425 -14.062 -36.306 -59.399 1.00 25.00 N ATOM 195 CA ALA A 425 -12.877 -35.461 -59.418 1.00 25.00 C ATOM 196 C ALA A 425 -12.018 -35.686 -58.171 1.00 25.00 C ATOM 197 O ALA A 425 -10.796 -35.826 -58.260 1.00 25.00 O ATOM 198 CB ALA A 425 -13.298 -33.989 -59.504 1.00 25.00 C ATOM 0 H ALA A 425 -14.938 -35.805 -59.251 1.00 25.00 H new ATOM 0 HA ALA A 425 -12.280 -35.724 -60.291 1.00 25.00 H new ATOM 0 HB1 ALA A 425 -12.410 -33.357 -59.518 1.00 25.00 H new ATOM 0 HB2 ALA A 425 -13.873 -33.828 -60.416 1.00 25.00 H new ATOM 0 HB3 ALA A 425 -13.911 -33.735 -58.639 1.00 25.00 H new ATOM 204 N VAL A 426 -12.655 -35.704 -57.009 1.00 25.00 N ATOM 205 CA VAL A 426 -11.929 -35.850 -55.754 1.00 25.00 C ATOM 206 C VAL A 426 -11.376 -37.258 -55.598 1.00 25.00 C ATOM 207 O VAL A 426 -10.284 -37.433 -55.091 1.00 25.00 O ATOM 208 CB VAL A 426 -12.813 -35.427 -54.546 1.00 25.00 C ATOM 209 CG1 VAL A 426 -13.976 -36.371 -54.301 1.00 25.00 C ATOM 210 CG2 VAL A 426 -11.973 -35.279 -53.293 1.00 25.00 C ATOM 0 H VAL A 426 -13.667 -35.620 -56.908 1.00 25.00 H new ATOM 0 HA VAL A 426 -11.073 -35.176 -55.776 1.00 25.00 H new ATOM 0 HB VAL A 426 -13.246 -34.460 -54.803 1.00 25.00 H new ATOM 0 HG11 VAL A 426 -14.554 -36.022 -53.446 1.00 25.00 H new ATOM 0 HG12 VAL A 426 -14.615 -36.398 -55.184 1.00 25.00 H new ATOM 0 HG13 VAL A 426 -13.595 -37.372 -54.097 1.00 25.00 H new ATOM 0 HG21 VAL A 426 -12.611 -34.983 -52.460 1.00 25.00 H new ATOM 0 HG22 VAL A 426 -11.493 -36.230 -53.062 1.00 25.00 H new ATOM 0 HG23 VAL A 426 -11.210 -34.518 -53.454 1.00 25.00 H new ATOM 220 N GLU A 427 -12.114 -38.251 -56.060 1.00 25.00 N ATOM 221 CA GLU A 427 -11.662 -39.649 -56.006 1.00 25.00 C ATOM 222 C GLU A 427 -10.298 -39.813 -56.676 1.00 25.00 C ATOM 223 O GLU A 427 -9.413 -40.492 -56.152 1.00 25.00 O ATOM 224 CB GLU A 427 -12.667 -40.566 -56.710 1.00 25.00 C ATOM 225 CG GLU A 427 -13.819 -41.038 -55.823 1.00 25.00 C ATOM 226 CD GLU A 427 -14.863 -41.844 -56.600 1.00 25.00 C ATOM 227 OE1 GLU A 427 -14.650 -42.118 -57.805 1.00 25.00 O ATOM 228 OE2 GLU A 427 -15.896 -42.216 -55.998 1.00 25.00 O ATOM 0 H GLU A 427 -13.035 -38.125 -56.481 1.00 25.00 H new ATOM 0 HA GLU A 427 -11.582 -39.925 -54.954 1.00 25.00 H new ATOM 0 HB2 GLU A 427 -13.079 -40.040 -57.571 1.00 25.00 H new ATOM 0 HB3 GLU A 427 -12.138 -41.439 -57.093 1.00 25.00 H new ATOM 0 HG2 GLU A 427 -13.422 -41.649 -55.012 1.00 25.00 H new ATOM 0 HG3 GLU A 427 -14.299 -40.173 -55.365 1.00 25.00 H new ATOM 235 N ALA A 428 -10.116 -39.181 -57.827 1.00 25.00 N ATOM 236 CA ALA A 428 -8.845 -39.261 -58.541 1.00 25.00 C ATOM 237 C ALA A 428 -7.715 -38.647 -57.703 1.00 25.00 C ATOM 238 O ALA A 428 -6.588 -39.156 -57.682 1.00 25.00 O ATOM 239 CB ALA A 428 -8.964 -38.545 -59.892 1.00 25.00 C ATOM 0 H ALA A 428 -10.826 -38.610 -58.286 1.00 25.00 H new ATOM 0 HA ALA A 428 -8.604 -40.309 -58.716 1.00 25.00 H new ATOM 0 HB1 ALA A 428 -8.013 -38.607 -60.422 1.00 25.00 H new ATOM 0 HB2 ALA A 428 -9.743 -39.020 -60.488 1.00 25.00 H new ATOM 0 HB3 ALA A 428 -9.220 -37.498 -59.728 1.00 25.00 H new ATOM 245 N ALA A 429 -8.025 -37.561 -57.009 1.00 25.00 N ATOM 246 CA ALA A 429 -7.047 -36.889 -56.164 1.00 25.00 C ATOM 247 C ALA A 429 -6.724 -37.741 -54.932 1.00 25.00 C ATOM 248 O ALA A 429 -5.570 -37.842 -54.540 1.00 25.00 O ATOM 249 CB ALA A 429 -7.574 -35.508 -55.743 1.00 25.00 C ATOM 0 H ALA A 429 -8.947 -37.126 -57.014 1.00 25.00 H new ATOM 0 HA ALA A 429 -6.128 -36.753 -56.734 1.00 25.00 H new ATOM 0 HB1 ALA A 429 -6.836 -35.014 -55.112 1.00 25.00 H new ATOM 0 HB2 ALA A 429 -7.756 -34.902 -56.631 1.00 25.00 H new ATOM 0 HB3 ALA A 429 -8.504 -35.627 -55.188 1.00 25.00 H new ATOM 255 N GLU A 430 -7.731 -38.358 -54.329 1.00 25.00 N ATOM 256 CA GLU A 430 -7.521 -39.187 -53.136 1.00 25.00 C ATOM 257 C GLU A 430 -6.581 -40.325 -53.462 1.00 25.00 C ATOM 258 O GLU A 430 -5.702 -40.675 -52.672 1.00 25.00 O ATOM 259 CB GLU A 430 -8.834 -39.781 -52.622 1.00 25.00 C ATOM 260 CG GLU A 430 -9.837 -38.746 -52.178 1.00 25.00 C ATOM 261 CD GLU A 430 -10.497 -39.100 -50.855 1.00 25.00 C ATOM 262 OE1 GLU A 430 -10.923 -40.264 -50.682 1.00 25.00 O ATOM 263 OE2 GLU A 430 -10.599 -38.207 -49.987 1.00 25.00 O ATOM 0 H GLU A 430 -8.701 -38.304 -54.640 1.00 25.00 H new ATOM 0 HA GLU A 430 -7.098 -38.544 -52.364 1.00 25.00 H new ATOM 0 HB2 GLU A 430 -9.279 -40.391 -53.409 1.00 25.00 H new ATOM 0 HB3 GLU A 430 -8.618 -40.447 -51.786 1.00 25.00 H new ATOM 0 HG2 GLU A 430 -9.340 -37.780 -52.085 1.00 25.00 H new ATOM 0 HG3 GLU A 430 -10.604 -38.637 -52.945 1.00 25.00 H new ATOM 270 N LEU A 431 -6.758 -40.902 -54.637 1.00 25.00 N ATOM 271 CA LEU A 431 -5.915 -42.009 -55.067 1.00 25.00 C ATOM 272 C LEU A 431 -4.449 -41.594 -55.134 1.00 25.00 C ATOM 273 O LEU A 431 -3.577 -42.314 -54.637 1.00 25.00 O ATOM 274 CB LEU A 431 -6.378 -42.535 -56.430 1.00 25.00 C ATOM 275 CG LEU A 431 -7.680 -43.355 -56.410 1.00 25.00 C ATOM 276 CD1 LEU A 431 -8.219 -43.500 -57.832 1.00 25.00 C ATOM 277 CD2 LEU A 431 -7.458 -44.742 -55.795 1.00 25.00 C ATOM 0 H LEU A 431 -7.474 -40.626 -55.309 1.00 25.00 H new ATOM 0 HA LEU A 431 -6.008 -42.806 -54.329 1.00 25.00 H new ATOM 0 HB2 LEU A 431 -6.512 -41.687 -57.102 1.00 25.00 H new ATOM 0 HB3 LEU A 431 -5.585 -43.153 -56.851 1.00 25.00 H new ATOM 0 HG LEU A 431 -8.405 -42.825 -55.793 1.00 25.00 H new ATOM 0 HD11 LEU A 431 -9.141 -44.081 -57.814 1.00 25.00 H new ATOM 0 HD12 LEU A 431 -8.421 -42.513 -58.247 1.00 25.00 H new ATOM 0 HD13 LEU A 431 -7.481 -44.010 -58.451 1.00 25.00 H new ATOM 0 HD21 LEU A 431 -8.397 -45.295 -55.796 1.00 25.00 H new ATOM 0 HD22 LEU A 431 -6.716 -45.285 -56.381 1.00 25.00 H new ATOM 0 HD23 LEU A 431 -7.102 -44.633 -54.770 1.00 25.00 H new ATOM 289 N GLU A 432 -4.144 -40.453 -55.739 1.00 25.00 N ATOM 290 CA GLU A 432 -2.747 -40.025 -55.795 1.00 25.00 C ATOM 291 C GLU A 432 -2.234 -39.514 -54.445 1.00 25.00 C ATOM 292 O GLU A 432 -1.052 -39.690 -54.119 1.00 25.00 O ATOM 293 CB GLU A 432 -2.469 -39.030 -56.929 1.00 25.00 C ATOM 294 CG GLU A 432 -2.960 -37.607 -56.732 1.00 25.00 C ATOM 295 CD GLU A 432 -2.410 -36.689 -57.813 1.00 25.00 C ATOM 296 OE1 GLU A 432 -3.200 -36.059 -58.541 1.00 25.00 O ATOM 297 OE2 GLU A 432 -1.163 -36.614 -57.935 1.00 25.00 O ATOM 0 H GLU A 432 -4.814 -39.826 -56.183 1.00 25.00 H new ATOM 0 HA GLU A 432 -2.175 -40.923 -56.030 1.00 25.00 H new ATOM 0 HB2 GLU A 432 -1.392 -38.997 -57.095 1.00 25.00 H new ATOM 0 HB3 GLU A 432 -2.920 -39.421 -57.841 1.00 25.00 H new ATOM 0 HG2 GLU A 432 -4.050 -37.588 -56.753 1.00 25.00 H new ATOM 0 HG3 GLU A 432 -2.653 -37.245 -55.751 1.00 25.00 H new ATOM 304 N MET A 433 -3.100 -38.906 -53.645 1.00 25.00 N ATOM 305 CA MET A 433 -2.696 -38.421 -52.326 1.00 25.00 C ATOM 306 C MET A 433 -2.355 -39.594 -51.430 1.00 25.00 C ATOM 307 O MET A 433 -1.412 -39.515 -50.662 1.00 25.00 O ATOM 308 CB MET A 433 -3.788 -37.575 -51.668 1.00 25.00 C ATOM 309 CG MET A 433 -3.877 -36.167 -52.240 1.00 25.00 C ATOM 310 SD MET A 433 -4.973 -35.086 -51.285 1.00 25.00 S ATOM 311 CE MET A 433 -6.610 -35.779 -51.631 1.00 25.00 C ATOM 0 H MET A 433 -4.078 -38.737 -53.880 1.00 25.00 H new ATOM 0 HA MET A 433 -1.820 -37.787 -52.463 1.00 25.00 H new ATOM 0 HB2 MET A 433 -4.750 -38.073 -51.792 1.00 25.00 H new ATOM 0 HB3 MET A 433 -3.597 -37.514 -50.597 1.00 25.00 H new ATOM 0 HG2 MET A 433 -2.879 -35.729 -52.271 1.00 25.00 H new ATOM 0 HG3 MET A 433 -4.233 -36.220 -53.269 1.00 25.00 H new ATOM 0 HE1 MET A 433 -7.376 -35.045 -51.382 1.00 25.00 H new ATOM 0 HE2 MET A 433 -6.681 -36.033 -52.689 1.00 25.00 H new ATOM 0 HE3 MET A 433 -6.759 -36.677 -51.031 1.00 25.00 H new ATOM 321 N THR A 434 -3.096 -40.690 -51.537 1.00 25.00 N ATOM 322 CA THR A 434 -2.815 -41.885 -50.737 1.00 25.00 C ATOM 323 C THR A 434 -1.390 -42.380 -50.993 1.00 25.00 C ATOM 324 O THR A 434 -0.695 -42.822 -50.081 1.00 25.00 O ATOM 325 CB THR A 434 -3.813 -43.029 -51.035 1.00 25.00 C ATOM 326 OG1 THR A 434 -5.147 -42.571 -50.801 1.00 25.00 O ATOM 327 CG2 THR A 434 -3.579 -44.214 -50.107 1.00 25.00 C ATOM 0 H THR A 434 -3.894 -40.780 -52.166 1.00 25.00 H new ATOM 0 HA THR A 434 -2.924 -41.599 -49.691 1.00 25.00 H new ATOM 0 HB THR A 434 -3.669 -43.332 -52.072 1.00 25.00 H new ATOM 0 HG1 THR A 434 -5.383 -41.895 -51.470 1.00 25.00 H new ATOM 0 HG21 THR A 434 -4.294 -45.004 -50.338 1.00 25.00 H new ATOM 0 HG22 THR A 434 -2.565 -44.590 -50.246 1.00 25.00 H new ATOM 0 HG23 THR A 434 -3.710 -43.897 -49.072 1.00 25.00 H new ATOM 335 N ARG A 435 -0.939 -42.286 -52.235 1.00 25.00 N ATOM 336 CA ARG A 435 0.425 -42.704 -52.582 1.00 25.00 C ATOM 337 C ARG A 435 1.412 -41.794 -51.889 1.00 25.00 C ATOM 338 O ARG A 435 2.399 -42.227 -51.320 1.00 25.00 O ATOM 339 CB ARG A 435 0.644 -42.587 -54.088 1.00 25.00 C ATOM 340 CG ARG A 435 -0.286 -43.442 -54.892 1.00 25.00 C ATOM 341 CD ARG A 435 -0.291 -43.035 -56.360 1.00 25.00 C ATOM 342 NE ARG A 435 1.016 -43.211 -57.013 1.00 25.00 N ATOM 343 CZ ARG A 435 1.380 -42.633 -58.153 1.00 25.00 C ATOM 344 NH1 ARG A 435 0.587 -41.823 -58.814 1.00 25.00 N ATOM 345 NH2 ARG A 435 2.569 -42.869 -58.634 1.00 25.00 N ATOM 0 H ARG A 435 -1.486 -41.928 -53.018 1.00 25.00 H new ATOM 0 HA ARG A 435 0.567 -43.738 -52.269 1.00 25.00 H new ATOM 0 HB2 ARG A 435 0.518 -41.546 -54.386 1.00 25.00 H new ATOM 0 HB3 ARG A 435 1.672 -42.863 -54.321 1.00 25.00 H new ATOM 0 HG2 ARG A 435 0.011 -44.487 -54.804 1.00 25.00 H new ATOM 0 HG3 ARG A 435 -1.295 -43.363 -54.488 1.00 25.00 H new ATOM 0 HD2 ARG A 435 -1.038 -43.624 -56.892 1.00 25.00 H new ATOM 0 HD3 ARG A 435 -0.593 -41.991 -56.440 1.00 25.00 H new ATOM 0 HE ARG A 435 1.693 -43.822 -56.557 1.00 25.00 H new ATOM 0 HH11 ARG A 435 -0.346 -41.618 -58.456 1.00 25.00 H new ATOM 0 HH12 ARG A 435 0.903 -41.399 -59.686 1.00 25.00 H new ATOM 0 HH21 ARG A 435 3.206 -43.491 -58.136 1.00 25.00 H new ATOM 0 HH22 ARG A 435 2.862 -42.432 -59.508 1.00 25.00 H new ATOM 359 N GLN A 436 1.120 -40.514 -51.970 1.00 25.00 N ATOM 360 CA GLN A 436 1.984 -39.483 -51.395 1.00 25.00 C ATOM 361 C GLN A 436 2.096 -39.521 -49.865 1.00 25.00 C ATOM 362 O GLN A 436 3.192 -39.385 -49.328 1.00 25.00 O ATOM 363 CB GLN A 436 1.529 -38.114 -51.849 1.00 25.00 C ATOM 364 CG GLN A 436 2.167 -37.766 -53.170 1.00 25.00 C ATOM 365 CD GLN A 436 1.442 -36.682 -53.877 1.00 25.00 C ATOM 366 OE1 GLN A 436 1.890 -35.552 -53.936 1.00 25.00 O ATOM 367 NE2 GLN A 436 0.323 -37.018 -54.429 1.00 25.00 N ATOM 0 H GLN A 436 0.285 -40.151 -52.431 1.00 25.00 H new ATOM 0 HA GLN A 436 2.986 -39.698 -51.767 1.00 25.00 H new ATOM 0 HB2 GLN A 436 0.443 -38.097 -51.945 1.00 25.00 H new ATOM 0 HB3 GLN A 436 1.795 -37.367 -51.100 1.00 25.00 H new ATOM 0 HG2 GLN A 436 3.200 -37.460 -53.003 1.00 25.00 H new ATOM 0 HG3 GLN A 436 2.196 -38.653 -53.802 1.00 25.00 H new ATOM 0 HE21 GLN A 436 -0.015 -37.978 -54.354 1.00 25.00 H new ATOM 0 HE22 GLN A 436 -0.223 -36.324 -54.940 1.00 25.00 H new ATOM 376 N VAL A 437 0.989 -39.714 -49.161 1.00 25.00 N ATOM 377 CA VAL A 437 1.016 -39.728 -47.690 1.00 25.00 C ATOM 378 C VAL A 437 1.772 -40.922 -47.127 1.00 25.00 C ATOM 379 O VAL A 437 2.348 -40.859 -46.049 1.00 25.00 O ATOM 380 CB VAL A 437 -0.402 -39.721 -47.068 1.00 25.00 C ATOM 381 CG1 VAL A 437 -1.087 -38.368 -47.298 1.00 25.00 C ATOM 382 CG2 VAL A 437 -1.275 -40.850 -47.571 1.00 25.00 C ATOM 0 H VAL A 437 0.067 -39.862 -49.571 1.00 25.00 H new ATOM 0 HA VAL A 437 1.537 -38.810 -47.418 1.00 25.00 H new ATOM 0 HB VAL A 437 -0.272 -39.880 -45.998 1.00 25.00 H new ATOM 0 HG11 VAL A 437 -2.082 -38.384 -46.853 1.00 25.00 H new ATOM 0 HG12 VAL A 437 -0.496 -37.578 -46.836 1.00 25.00 H new ATOM 0 HG13 VAL A 437 -1.171 -38.180 -48.368 1.00 25.00 H new ATOM 0 HG21 VAL A 437 -2.255 -40.790 -47.098 1.00 25.00 H new ATOM 0 HG22 VAL A 437 -1.388 -40.769 -48.652 1.00 25.00 H new ATOM 0 HG23 VAL A 437 -0.811 -41.805 -47.326 1.00 25.00 H new ATOM 392 N LEU A 438 1.780 -42.008 -47.877 1.00 25.00 N ATOM 393 CA LEU A 438 2.511 -43.217 -47.493 1.00 25.00 C ATOM 394 C LEU A 438 4.025 -43.045 -47.648 1.00 25.00 C ATOM 395 O LEU A 438 4.793 -43.898 -47.215 1.00 25.00 O ATOM 396 CB LEU A 438 2.040 -44.407 -48.337 1.00 25.00 C ATOM 397 CG LEU A 438 0.664 -44.983 -47.957 1.00 25.00 C ATOM 398 CD1 LEU A 438 0.226 -45.999 -49.006 1.00 25.00 C ATOM 399 CD2 LEU A 438 0.702 -45.649 -46.573 1.00 25.00 C ATOM 0 H LEU A 438 1.285 -42.085 -48.766 1.00 25.00 H new ATOM 0 HA LEU A 438 2.301 -43.404 -46.440 1.00 25.00 H new ATOM 0 HB2 LEU A 438 2.010 -44.100 -49.382 1.00 25.00 H new ATOM 0 HB3 LEU A 438 2.782 -45.202 -48.259 1.00 25.00 H new ATOM 0 HG LEU A 438 -0.051 -44.161 -47.918 1.00 25.00 H new ATOM 0 HD11 LEU A 438 -0.748 -46.405 -48.735 1.00 25.00 H new ATOM 0 HD12 LEU A 438 0.158 -45.511 -49.979 1.00 25.00 H new ATOM 0 HD13 LEU A 438 0.955 -46.808 -49.056 1.00 25.00 H new ATOM 0 HD21 LEU A 438 -0.284 -46.046 -46.333 1.00 25.00 H new ATOM 0 HD22 LEU A 438 1.428 -46.462 -46.580 1.00 25.00 H new ATOM 0 HD23 LEU A 438 0.989 -44.912 -45.823 1.00 25.00 H new ATOM 720 N ALA A 462 -18.752 -32.953 -45.163 1.00 25.00 N ATOM 721 CA ALA A 462 -17.586 -33.097 -44.299 1.00 25.00 C ATOM 722 C ALA A 462 -18.054 -33.541 -42.912 1.00 25.00 C ATOM 723 O ALA A 462 -17.518 -34.481 -42.337 1.00 25.00 O ATOM 724 CB ALA A 462 -16.795 -31.779 -44.217 1.00 25.00 C ATOM 0 HA ALA A 462 -16.916 -33.850 -44.715 1.00 25.00 H new ATOM 0 HB1 ALA A 462 -15.931 -31.913 -43.567 1.00 25.00 H new ATOM 0 HB2 ALA A 462 -16.458 -31.494 -45.214 1.00 25.00 H new ATOM 0 HB3 ALA A 462 -17.435 -30.995 -43.812 1.00 25.00 H new ATOM 730 N LEU A 463 -19.066 -32.868 -42.377 1.00 25.00 N ATOM 731 CA LEU A 463 -19.543 -33.181 -41.034 1.00 25.00 C ATOM 732 C LEU A 463 -20.138 -34.568 -40.963 1.00 25.00 C ATOM 733 O LEU A 463 -19.986 -35.249 -39.965 1.00 25.00 O ATOM 734 CB LEU A 463 -20.523 -32.110 -40.538 1.00 25.00 C ATOM 735 CG LEU A 463 -22.046 -32.286 -40.664 1.00 25.00 C ATOM 736 CD1 LEU A 463 -22.661 -33.144 -39.549 1.00 25.00 C ATOM 737 CD2 LEU A 463 -22.661 -30.912 -40.613 1.00 25.00 C ATOM 0 H LEU A 463 -19.567 -32.112 -42.844 1.00 25.00 H new ATOM 0 HA LEU A 463 -18.683 -33.174 -40.364 1.00 25.00 H new ATOM 0 HB2 LEU A 463 -20.310 -31.953 -39.481 1.00 25.00 H new ATOM 0 HB3 LEU A 463 -20.268 -31.185 -41.056 1.00 25.00 H new ATOM 0 HG LEU A 463 -22.248 -32.806 -41.600 1.00 25.00 H new ATOM 0 HD11 LEU A 463 -23.737 -33.224 -39.703 1.00 25.00 H new ATOM 0 HD12 LEU A 463 -22.216 -34.139 -39.568 1.00 25.00 H new ATOM 0 HD13 LEU A 463 -22.467 -32.679 -38.583 1.00 25.00 H new ATOM 0 HD21 LEU A 463 -23.744 -30.995 -40.700 1.00 25.00 H new ATOM 0 HD22 LEU A 463 -22.408 -30.435 -39.666 1.00 25.00 H new ATOM 0 HD23 LEU A 463 -22.276 -30.310 -41.436 1.00 25.00 H new ATOM 749 N GLN A 464 -20.810 -35.009 -42.014 1.00 25.00 N ATOM 750 CA GLN A 464 -21.367 -36.358 -42.007 1.00 25.00 C ATOM 751 C GLN A 464 -20.245 -37.403 -42.065 1.00 25.00 C ATOM 752 O GLN A 464 -20.389 -38.507 -41.539 1.00 25.00 O ATOM 753 CB GLN A 464 -22.425 -36.521 -43.105 1.00 25.00 C ATOM 754 CG GLN A 464 -21.932 -36.852 -44.511 1.00 25.00 C ATOM 755 CD GLN A 464 -23.058 -36.846 -45.548 1.00 25.00 C ATOM 756 OE1 GLN A 464 -22.825 -37.001 -46.735 1.00 25.00 O ATOM 757 NE2 GLN A 464 -24.278 -36.657 -45.103 1.00 25.00 N ATOM 0 H GLN A 464 -20.982 -34.472 -42.864 1.00 25.00 H new ATOM 0 HA GLN A 464 -21.891 -36.528 -41.067 1.00 25.00 H new ATOM 0 HB2 GLN A 464 -23.113 -37.307 -42.795 1.00 25.00 H new ATOM 0 HB3 GLN A 464 -23.000 -35.597 -43.159 1.00 25.00 H new ATOM 0 HG2 GLN A 464 -21.170 -36.130 -44.804 1.00 25.00 H new ATOM 0 HG3 GLN A 464 -21.456 -37.832 -44.503 1.00 25.00 H new ATOM 0 HE21 GLN A 464 -24.443 -36.530 -44.104 1.00 25.00 H new ATOM 0 HE22 GLN A 464 -25.062 -36.637 -45.756 1.00 25.00 H new ATOM 766 N GLY A 465 -19.117 -37.037 -42.661 1.00 25.00 N ATOM 767 CA GLY A 465 -17.953 -37.899 -42.665 1.00 25.00 C ATOM 768 C GLY A 465 -17.383 -37.926 -41.264 1.00 25.00 C ATOM 769 O GLY A 465 -17.002 -38.978 -40.776 1.00 25.00 O ATOM 0 H GLY A 465 -18.988 -36.149 -43.146 1.00 25.00 H new ATOM 0 HA2 GLY A 465 -18.225 -38.905 -42.984 1.00 25.00 H new ATOM 0 HA3 GLY A 465 -17.209 -37.531 -43.371 1.00 25.00 H new ATOM 773 N ALA A 466 -17.356 -36.771 -40.605 1.00 25.00 N ATOM 774 CA ALA A 466 -16.865 -36.652 -39.228 1.00 25.00 C ATOM 775 C ALA A 466 -17.575 -37.631 -38.285 1.00 25.00 C ATOM 776 O ALA A 466 -16.995 -38.121 -37.327 1.00 25.00 O ATOM 777 CB ALA A 466 -17.047 -35.217 -38.723 1.00 25.00 C ATOM 0 H ALA A 466 -17.673 -35.889 -41.007 1.00 25.00 H new ATOM 0 HA ALA A 466 -15.804 -36.903 -39.235 1.00 25.00 H new ATOM 0 HB1 ALA A 466 -16.679 -35.142 -37.700 1.00 25.00 H new ATOM 0 HB2 ALA A 466 -16.488 -34.533 -39.361 1.00 25.00 H new ATOM 0 HB3 ALA A 466 -18.104 -34.954 -38.748 1.00 25.00 H new ATOM 783 N GLN A 467 -18.832 -37.926 -38.565 1.00 25.00 N ATOM 784 CA GLN A 467 -19.583 -38.866 -37.739 1.00 25.00 C ATOM 785 C GLN A 467 -19.176 -40.309 -38.031 1.00 25.00 C ATOM 786 O GLN A 467 -19.095 -41.142 -37.130 1.00 25.00 O ATOM 787 CB GLN A 467 -21.063 -38.739 -38.039 1.00 25.00 C ATOM 788 CG GLN A 467 -21.611 -37.318 -37.972 1.00 25.00 C ATOM 789 CD GLN A 467 -21.212 -36.565 -36.723 1.00 25.00 C ATOM 790 OE1 GLN A 467 -21.467 -36.998 -35.611 1.00 25.00 O ATOM 791 NE2 GLN A 467 -20.592 -35.427 -36.907 1.00 25.00 N ATOM 0 H GLN A 467 -19.354 -37.535 -39.349 1.00 25.00 H new ATOM 0 HA GLN A 467 -19.370 -38.629 -36.697 1.00 25.00 H new ATOM 0 HB2 GLN A 467 -21.253 -39.140 -39.035 1.00 25.00 H new ATOM 0 HB3 GLN A 467 -21.616 -39.360 -37.335 1.00 25.00 H new ATOM 0 HG2 GLN A 467 -21.264 -36.764 -38.844 1.00 25.00 H new ATOM 0 HG3 GLN A 467 -22.699 -37.356 -38.030 1.00 25.00 H new ATOM 0 HE21 GLN A 467 -20.397 -35.100 -37.853 1.00 25.00 H new ATOM 0 HE22 GLN A 467 -20.304 -34.868 -36.104 1.00 25.00 H new ATOM 800 N ALA A 468 -18.931 -40.604 -39.300 1.00 25.00 N ATOM 801 CA ALA A 468 -18.558 -41.951 -39.711 1.00 25.00 C ATOM 802 C ALA A 468 -17.169 -42.283 -39.171 1.00 25.00 C ATOM 803 O ALA A 468 -16.938 -43.370 -38.641 1.00 25.00 O ATOM 804 CB ALA A 468 -18.581 -42.058 -41.244 1.00 25.00 C ATOM 0 H ALA A 468 -18.984 -39.929 -40.063 1.00 25.00 H new ATOM 0 HA ALA A 468 -19.274 -42.666 -39.306 1.00 25.00 H new ATOM 0 HB1 ALA A 468 -18.301 -43.068 -41.542 1.00 25.00 H new ATOM 0 HB2 ALA A 468 -19.584 -41.837 -41.609 1.00 25.00 H new ATOM 0 HB3 ALA A 468 -17.875 -41.345 -41.669 1.00 25.00 H new ATOM 810 N VAL A 469 -16.248 -41.340 -39.296 1.00 25.00 N ATOM 811 CA VAL A 469 -14.889 -41.545 -38.807 1.00 25.00 C ATOM 812 C VAL A 469 -14.897 -41.625 -37.288 1.00 25.00 C ATOM 813 O VAL A 469 -14.092 -42.332 -36.713 1.00 25.00 O ATOM 814 CB VAL A 469 -13.892 -40.444 -39.295 1.00 25.00 C ATOM 815 CG1 VAL A 469 -13.916 -40.338 -40.824 1.00 25.00 C ATOM 816 CG2 VAL A 469 -14.222 -39.093 -38.694 1.00 25.00 C ATOM 0 H VAL A 469 -16.412 -40.431 -39.728 1.00 25.00 H new ATOM 0 HA VAL A 469 -14.533 -42.487 -39.225 1.00 25.00 H new ATOM 0 HB VAL A 469 -12.896 -40.738 -38.965 1.00 25.00 H new ATOM 0 HG11 VAL A 469 -13.216 -39.567 -41.146 1.00 25.00 H new ATOM 0 HG12 VAL A 469 -13.628 -41.295 -41.260 1.00 25.00 H new ATOM 0 HG13 VAL A 469 -14.921 -40.077 -41.155 1.00 25.00 H new ATOM 0 HG21 VAL A 469 -13.510 -38.351 -39.054 1.00 25.00 H new ATOM 0 HG22 VAL A 469 -15.230 -38.801 -38.988 1.00 25.00 H new ATOM 0 HG23 VAL A 469 -14.164 -39.154 -37.607 1.00 25.00 H new ATOM 826 N ALA A 470 -15.813 -40.919 -36.631 1.00 25.00 N ATOM 827 CA ALA A 470 -15.891 -40.937 -35.169 1.00 25.00 C ATOM 828 C ALA A 470 -16.100 -42.353 -34.632 1.00 25.00 C ATOM 829 O ALA A 470 -15.673 -42.664 -33.522 1.00 25.00 O ATOM 830 CB ALA A 470 -17.006 -40.014 -34.674 1.00 25.00 C ATOM 0 H ALA A 470 -16.511 -40.328 -37.084 1.00 25.00 H new ATOM 0 HA ALA A 470 -14.937 -40.572 -34.789 1.00 25.00 H new ATOM 0 HB1 ALA A 470 -17.046 -40.043 -33.585 1.00 25.00 H new ATOM 0 HB2 ALA A 470 -16.807 -38.994 -35.003 1.00 25.00 H new ATOM 0 HB3 ALA A 470 -17.961 -40.346 -35.081 1.00 25.00 H new ATOM 836 N ALA A 471 -16.737 -43.217 -35.414 1.00 25.00 N ATOM 837 CA ALA A 471 -16.922 -44.606 -35.005 1.00 25.00 C ATOM 838 C ALA A 471 -15.554 -45.304 -34.919 1.00 25.00 C ATOM 839 O ALA A 471 -15.316 -46.106 -34.021 1.00 25.00 O ATOM 840 CB ALA A 471 -17.842 -45.332 -35.991 1.00 25.00 C ATOM 0 H ALA A 471 -17.131 -42.985 -36.326 1.00 25.00 H new ATOM 0 HA ALA A 471 -17.392 -44.633 -34.022 1.00 25.00 H new ATOM 0 HB1 ALA A 471 -17.971 -46.367 -35.674 1.00 25.00 H new ATOM 0 HB2 ALA A 471 -18.812 -44.836 -36.016 1.00 25.00 H new ATOM 0 HB3 ALA A 471 -17.398 -45.310 -36.986 1.00 25.00 H new ATOM 846 N ALA A 472 -14.660 -44.984 -35.843 1.00 25.00 N ATOM 847 CA ALA A 472 -13.303 -45.523 -35.818 1.00 25.00 C ATOM 848 C ALA A 472 -12.499 -44.872 -34.688 1.00 25.00 C ATOM 849 O ALA A 472 -11.720 -45.532 -34.018 1.00 25.00 O ATOM 850 CB ALA A 472 -12.614 -45.300 -37.172 1.00 25.00 C ATOM 0 H ALA A 472 -14.848 -44.353 -36.622 1.00 25.00 H new ATOM 0 HA ALA A 472 -13.354 -46.596 -35.634 1.00 25.00 H new ATOM 0 HB1 ALA A 472 -11.603 -45.707 -37.137 1.00 25.00 H new ATOM 0 HB2 ALA A 472 -13.181 -45.802 -37.956 1.00 25.00 H new ATOM 0 HB3 ALA A 472 -12.568 -44.232 -37.385 1.00 25.00 H new ATOM 856 N GLN A 473 -12.689 -43.579 -34.479 1.00 25.00 N ATOM 857 CA GLN A 473 -11.961 -42.859 -33.436 1.00 25.00 C ATOM 858 C GLN A 473 -12.302 -43.361 -32.037 1.00 25.00 C ATOM 859 O GLN A 473 -11.420 -43.593 -31.216 1.00 25.00 O ATOM 860 CB GLN A 473 -12.259 -41.350 -33.490 1.00 25.00 C ATOM 861 CG GLN A 473 -11.964 -40.657 -34.827 1.00 25.00 C ATOM 862 CD GLN A 473 -10.496 -40.438 -35.104 1.00 25.00 C ATOM 863 OE1 GLN A 473 -9.633 -40.868 -34.353 1.00 25.00 O ATOM 864 NE2 GLN A 473 -10.218 -39.776 -36.194 1.00 25.00 N ATOM 0 H GLN A 473 -13.339 -43.004 -35.015 1.00 25.00 H new ATOM 0 HA GLN A 473 -10.904 -43.042 -33.631 1.00 25.00 H new ATOM 0 HB2 GLN A 473 -13.311 -41.198 -33.248 1.00 25.00 H new ATOM 0 HB3 GLN A 473 -11.678 -40.856 -32.711 1.00 25.00 H new ATOM 0 HG2 GLN A 473 -12.389 -41.254 -35.634 1.00 25.00 H new ATOM 0 HG3 GLN A 473 -12.472 -39.693 -34.843 1.00 25.00 H new ATOM 0 HE21 GLN A 473 -10.972 -39.436 -36.791 1.00 25.00 H new ATOM 0 HE22 GLN A 473 -9.246 -39.599 -36.449 1.00 25.00 H new ATOM 873 N ARG A 474 -13.582 -43.545 -31.748 1.00 25.00 N ATOM 874 CA ARG A 474 -13.978 -44.050 -30.427 1.00 25.00 C ATOM 875 C ARG A 474 -13.455 -45.468 -30.240 1.00 25.00 C ATOM 876 O ARG A 474 -13.203 -45.906 -29.123 1.00 25.00 O ATOM 877 CB ARG A 474 -15.499 -43.991 -30.233 1.00 25.00 C ATOM 878 CG ARG A 474 -16.310 -44.898 -31.142 1.00 25.00 C ATOM 879 CD ARG A 474 -17.796 -44.586 -31.062 1.00 25.00 C ATOM 880 NE ARG A 474 -18.348 -44.857 -29.723 1.00 25.00 N ATOM 881 CZ ARG A 474 -19.603 -44.625 -29.352 1.00 25.00 C ATOM 882 NH1 ARG A 474 -20.490 -44.107 -30.167 1.00 25.00 N ATOM 883 NH2 ARG A 474 -19.972 -44.920 -28.136 1.00 25.00 N ATOM 0 H ARG A 474 -14.354 -43.359 -32.389 1.00 25.00 H new ATOM 0 HA ARG A 474 -13.535 -43.408 -29.666 1.00 25.00 H new ATOM 0 HB2 ARG A 474 -15.726 -44.246 -29.198 1.00 25.00 H new ATOM 0 HB3 ARG A 474 -15.828 -42.963 -30.387 1.00 25.00 H new ATOM 0 HG2 ARG A 474 -15.968 -44.783 -32.171 1.00 25.00 H new ATOM 0 HG3 ARG A 474 -16.140 -45.938 -30.864 1.00 25.00 H new ATOM 0 HD2 ARG A 474 -17.960 -43.539 -31.316 1.00 25.00 H new ATOM 0 HD3 ARG A 474 -18.331 -45.181 -31.802 1.00 25.00 H new ATOM 0 HE ARG A 474 -17.718 -45.254 -29.026 1.00 25.00 H new ATOM 0 HH11 ARG A 474 -20.226 -43.867 -31.123 1.00 25.00 H new ATOM 0 HH12 ARG A 474 -21.444 -43.944 -29.845 1.00 25.00 H new ATOM 0 HH21 ARG A 474 -19.300 -45.324 -27.483 1.00 25.00 H new ATOM 0 HH22 ARG A 474 -20.932 -44.747 -27.838 1.00 25.00 H new ATOM 897 N LEU A 475 -13.282 -46.170 -31.346 1.00 25.00 N ATOM 898 CA LEU A 475 -12.737 -47.518 -31.333 1.00 25.00 C ATOM 899 C LEU A 475 -11.233 -47.483 -31.037 1.00 25.00 C ATOM 900 O LEU A 475 -10.778 -48.192 -30.149 1.00 25.00 O ATOM 901 CB LEU A 475 -13.026 -48.207 -32.680 1.00 25.00 C ATOM 902 CG LEU A 475 -11.940 -49.105 -33.295 1.00 25.00 C ATOM 903 CD1 LEU A 475 -11.738 -50.391 -32.467 1.00 25.00 C ATOM 904 CD2 LEU A 475 -12.312 -49.474 -34.716 1.00 25.00 C ATOM 0 H LEU A 475 -13.514 -45.824 -32.277 1.00 25.00 H new ATOM 0 HA LEU A 475 -13.217 -48.094 -30.542 1.00 25.00 H new ATOM 0 HB2 LEU A 475 -13.925 -48.811 -32.557 1.00 25.00 H new ATOM 0 HB3 LEU A 475 -13.262 -47.429 -33.406 1.00 25.00 H new ATOM 0 HG LEU A 475 -11.006 -48.544 -33.293 1.00 25.00 H new ATOM 0 HD11 LEU A 475 -10.964 -51.003 -32.929 1.00 25.00 H new ATOM 0 HD12 LEU A 475 -11.436 -50.127 -31.453 1.00 25.00 H new ATOM 0 HD13 LEU A 475 -12.672 -50.952 -32.433 1.00 25.00 H new ATOM 0 HD21 LEU A 475 -11.536 -50.110 -35.142 1.00 25.00 H new ATOM 0 HD22 LEU A 475 -13.261 -50.010 -34.716 1.00 25.00 H new ATOM 0 HD23 LEU A 475 -12.407 -48.568 -35.314 1.00 25.00 H new ATOM 916 N VAL A 476 -10.456 -46.685 -31.761 1.00 25.00 N ATOM 917 CA VAL A 476 -9.003 -46.679 -31.564 1.00 25.00 C ATOM 918 C VAL A 476 -8.693 -46.219 -30.150 1.00 25.00 C ATOM 919 O VAL A 476 -7.779 -46.727 -29.492 1.00 25.00 O ATOM 920 CB VAL A 476 -8.249 -45.831 -32.641 1.00 25.00 C ATOM 921 CG1 VAL A 476 -8.656 -44.386 -32.627 1.00 25.00 C ATOM 922 CG2 VAL A 476 -6.727 -45.963 -32.465 1.00 25.00 C ATOM 0 H VAL A 476 -10.795 -46.043 -32.478 1.00 25.00 H new ATOM 0 HA VAL A 476 -8.634 -47.696 -31.695 1.00 25.00 H new ATOM 0 HB VAL A 476 -8.533 -46.232 -33.614 1.00 25.00 H new ATOM 0 HG11 VAL A 476 -8.102 -43.845 -33.394 1.00 25.00 H new ATOM 0 HG12 VAL A 476 -9.725 -44.307 -32.827 1.00 25.00 H new ATOM 0 HG13 VAL A 476 -8.437 -43.956 -31.650 1.00 25.00 H new ATOM 0 HG21 VAL A 476 -6.220 -45.366 -33.223 1.00 25.00 H new ATOM 0 HG22 VAL A 476 -6.443 -45.608 -31.474 1.00 25.00 H new ATOM 0 HG23 VAL A 476 -6.438 -47.008 -32.573 1.00 25.00 H new ATOM 932 N HIS A 477 -9.483 -45.276 -29.668 1.00 25.00 N ATOM 933 CA HIS A 477 -9.326 -44.763 -28.335 1.00 25.00 C ATOM 934 C HIS A 477 -9.552 -45.870 -27.320 1.00 25.00 C ATOM 935 O HIS A 477 -8.876 -45.921 -26.307 1.00 25.00 O ATOM 936 CB HIS A 477 -10.314 -43.624 -28.120 1.00 25.00 C ATOM 937 CG HIS A 477 -10.060 -42.851 -26.866 1.00 25.00 C ATOM 938 ND1 HIS A 477 -10.973 -42.032 -26.252 1.00 25.00 N ATOM 939 CD2 HIS A 477 -8.946 -42.782 -26.094 1.00 25.00 C ATOM 940 CE1 HIS A 477 -10.402 -41.520 -25.163 1.00 25.00 C ATOM 941 NE2 HIS A 477 -9.165 -41.948 -25.015 1.00 25.00 N ATOM 0 H HIS A 477 -10.246 -44.851 -30.194 1.00 25.00 H new ATOM 0 HA HIS A 477 -8.312 -44.385 -28.203 1.00 25.00 H new ATOM 0 HB2 HIS A 477 -10.268 -42.946 -28.972 1.00 25.00 H new ATOM 0 HB3 HIS A 477 -11.325 -44.030 -28.090 1.00 25.00 H new ATOM 0 HD2 HIS A 477 -8.022 -43.304 -26.294 1.00 25.00 H new ATOM 0 HE1 HIS A 477 -10.893 -40.838 -24.485 1.00 25.00 H new ATOM 0 HE2 HIS A 477 -8.512 -41.715 -24.267 1.00 25.00 H new ATOM 949 N ALA A 478 -10.486 -46.773 -27.590 1.00 25.00 N ATOM 950 CA ALA A 478 -10.762 -47.856 -26.661 1.00 25.00 C ATOM 951 C ALA A 478 -9.503 -48.696 -26.427 1.00 25.00 C ATOM 952 O ALA A 478 -9.181 -49.027 -25.292 1.00 25.00 O ATOM 953 CB ALA A 478 -11.905 -48.730 -27.183 1.00 25.00 C ATOM 0 H ALA A 478 -11.058 -46.776 -28.435 1.00 25.00 H new ATOM 0 HA ALA A 478 -11.068 -47.425 -25.708 1.00 25.00 H new ATOM 0 HB1 ALA A 478 -12.099 -49.536 -26.476 1.00 25.00 H new ATOM 0 HB2 ALA A 478 -12.804 -48.124 -27.297 1.00 25.00 H new ATOM 0 HB3 ALA A 478 -11.628 -49.153 -28.148 1.00 25.00 H new ATOM 959 N ILE A 479 -8.781 -49.032 -27.487 1.00 25.00 N ATOM 960 CA ILE A 479 -7.576 -49.849 -27.335 1.00 25.00 C ATOM 961 C ILE A 479 -6.467 -49.023 -26.698 1.00 25.00 C ATOM 962 O ILE A 479 -5.661 -49.538 -25.934 1.00 25.00 O ATOM 963 CB ILE A 479 -7.051 -50.407 -28.673 1.00 25.00 C ATOM 964 CG1 ILE A 479 -8.180 -51.091 -29.447 1.00 25.00 C ATOM 965 CG2 ILE A 479 -5.919 -51.432 -28.434 1.00 25.00 C ATOM 966 CD1 ILE A 479 -8.435 -50.412 -30.727 1.00 25.00 C ATOM 0 H ILE A 479 -8.999 -48.760 -28.446 1.00 25.00 H new ATOM 0 HA ILE A 479 -7.856 -50.692 -26.704 1.00 25.00 H new ATOM 0 HB ILE A 479 -6.663 -49.569 -29.252 1.00 25.00 H new ATOM 0 HG12 ILE A 479 -7.919 -52.133 -29.631 1.00 25.00 H new ATOM 0 HG13 ILE A 479 -9.089 -51.091 -28.845 1.00 25.00 H new ATOM 0 HG21 ILE A 479 -5.564 -51.812 -29.392 1.00 25.00 H new ATOM 0 HG22 ILE A 479 -5.096 -50.949 -27.908 1.00 25.00 H new ATOM 0 HG23 ILE A 479 -6.298 -52.259 -27.833 1.00 25.00 H new ATOM 0 HD11 ILE A 479 -9.242 -50.921 -31.254 1.00 25.00 H new ATOM 0 HD12 ILE A 479 -8.720 -49.377 -30.539 1.00 25.00 H new ATOM 0 HD13 ILE A 479 -7.532 -50.435 -31.337 1.00 25.00 H new ATOM 978 N ALA A 480 -6.432 -47.732 -26.992 1.00 25.00 N ATOM 979 CA ALA A 480 -5.422 -46.850 -26.420 1.00 25.00 C ATOM 980 C ALA A 480 -5.538 -46.879 -24.886 1.00 25.00 C ATOM 981 O ALA A 480 -4.554 -46.713 -24.165 1.00 25.00 O ATOM 982 CB ALA A 480 -5.598 -45.422 -26.968 1.00 25.00 C ATOM 0 H ALA A 480 -7.089 -47.271 -27.622 1.00 25.00 H new ATOM 0 HA ALA A 480 -4.426 -47.193 -26.701 1.00 25.00 H new ATOM 0 HB1 ALA A 480 -4.839 -44.770 -26.535 1.00 25.00 H new ATOM 0 HB2 ALA A 480 -5.491 -45.433 -28.053 1.00 25.00 H new ATOM 0 HB3 ALA A 480 -6.588 -45.051 -26.705 1.00 25.00 H new ATOM 988 N LEU A 481 -6.743 -47.108 -24.387 1.00 25.00 N ATOM 989 CA LEU A 481 -6.952 -47.211 -22.941 1.00 25.00 C ATOM 990 C LEU A 481 -6.469 -48.548 -22.446 1.00 25.00 C ATOM 991 O LEU A 481 -5.798 -48.645 -21.436 1.00 25.00 O ATOM 992 CB LEU A 481 -8.419 -47.035 -22.583 1.00 25.00 C ATOM 993 CG LEU A 481 -8.900 -45.672 -23.052 1.00 25.00 C ATOM 994 CD1 LEU A 481 -10.406 -45.705 -23.233 1.00 25.00 C ATOM 995 CD2 LEU A 481 -8.497 -44.552 -22.103 1.00 25.00 C ATOM 0 H LEU A 481 -7.586 -47.226 -24.950 1.00 25.00 H new ATOM 0 HA LEU A 481 -6.383 -46.415 -22.461 1.00 25.00 H new ATOM 0 HB2 LEU A 481 -9.014 -47.821 -23.048 1.00 25.00 H new ATOM 0 HB3 LEU A 481 -8.554 -47.128 -21.505 1.00 25.00 H new ATOM 0 HG LEU A 481 -8.417 -45.457 -24.005 1.00 25.00 H new ATOM 0 HD11 LEU A 481 -10.754 -44.728 -23.569 1.00 25.00 H new ATOM 0 HD12 LEU A 481 -10.667 -46.459 -23.976 1.00 25.00 H new ATOM 0 HD13 LEU A 481 -10.881 -45.952 -22.284 1.00 25.00 H new ATOM 0 HD21 LEU A 481 -8.866 -43.600 -22.486 1.00 25.00 H new ATOM 0 HD22 LEU A 481 -8.926 -44.738 -21.118 1.00 25.00 H new ATOM 0 HD23 LEU A 481 -7.410 -44.515 -22.025 1.00 25.00 H new ATOM 1007 N MET A 482 -6.804 -49.594 -23.177 1.00 25.00 N ATOM 1008 CA MET A 482 -6.403 -50.943 -22.788 1.00 25.00 C ATOM 1009 C MET A 482 -4.912 -51.093 -22.767 1.00 25.00 C ATOM 1010 O MET A 482 -4.372 -51.924 -22.048 1.00 25.00 O ATOM 1011 CB MET A 482 -6.977 -51.964 -23.756 1.00 25.00 C ATOM 1012 CG MET A 482 -8.436 -51.872 -23.772 1.00 25.00 C ATOM 1013 SD MET A 482 -9.266 -53.391 -24.263 1.00 25.00 S ATOM 1014 CE MET A 482 -9.088 -53.306 -26.054 1.00 25.00 C ATOM 0 H MET A 482 -7.349 -49.543 -24.038 1.00 25.00 H new ATOM 0 HA MET A 482 -6.790 -51.115 -21.783 1.00 25.00 H new ATOM 0 HB2 MET A 482 -6.582 -51.790 -24.757 1.00 25.00 H new ATOM 0 HB3 MET A 482 -6.671 -52.968 -23.462 1.00 25.00 H new ATOM 0 HG2 MET A 482 -8.782 -51.587 -22.778 1.00 25.00 H new ATOM 0 HG3 MET A 482 -8.731 -51.074 -24.453 1.00 25.00 H new ATOM 0 HE1 MET A 482 -9.554 -54.181 -26.508 1.00 25.00 H new ATOM 0 HE2 MET A 482 -9.573 -52.403 -26.425 1.00 25.00 H new ATOM 0 HE3 MET A 482 -8.030 -53.283 -26.314 1.00 25.00 H new ATOM 1024 N THR A 483 -4.232 -50.293 -23.562 1.00 25.00 N ATOM 1025 CA THR A 483 -2.789 -50.442 -23.653 1.00 25.00 C ATOM 1026 C THR A 483 -2.124 -49.727 -22.492 1.00 25.00 C ATOM 1027 O THR A 483 -1.116 -50.204 -21.971 1.00 25.00 O ATOM 1028 CB THR A 483 -2.263 -49.980 -25.010 1.00 25.00 C ATOM 1029 OG1 THR A 483 -2.798 -48.698 -25.321 1.00 25.00 O ATOM 1030 CG2 THR A 483 -2.715 -50.954 -26.093 1.00 25.00 C ATOM 0 H THR A 483 -4.636 -49.555 -24.139 1.00 25.00 H new ATOM 0 HA THR A 483 -2.536 -51.500 -23.580 1.00 25.00 H new ATOM 0 HB THR A 483 -1.175 -49.936 -24.967 1.00 25.00 H new ATOM 0 HG1 THR A 483 -3.718 -48.797 -25.643 1.00 25.00 H new ATOM 0 HG21 THR A 483 -2.339 -50.622 -27.061 1.00 25.00 H new ATOM 0 HG22 THR A 483 -2.326 -51.948 -25.874 1.00 25.00 H new ATOM 0 HG23 THR A 483 -3.804 -50.988 -26.120 1.00 25.00 H new ATOM 1038 N GLN A 484 -2.689 -48.612 -22.048 1.00 25.00 N ATOM 1039 CA GLN A 484 -2.131 -47.926 -20.888 1.00 25.00 C ATOM 1040 C GLN A 484 -2.554 -48.632 -19.603 1.00 25.00 C ATOM 1041 O GLN A 484 -1.790 -48.667 -18.644 1.00 25.00 O ATOM 1042 CB GLN A 484 -2.476 -46.427 -20.879 1.00 25.00 C ATOM 1043 CG GLN A 484 -3.948 -46.091 -20.766 1.00 25.00 C ATOM 1044 CD GLN A 484 -4.217 -44.624 -20.984 1.00 25.00 C ATOM 1045 OE1 GLN A 484 -4.178 -43.832 -20.063 1.00 25.00 O ATOM 1046 NE2 GLN A 484 -4.487 -44.258 -22.210 1.00 25.00 N ATOM 0 H GLN A 484 -3.512 -48.172 -22.460 1.00 25.00 H new ATOM 0 HA GLN A 484 -1.044 -47.977 -20.953 1.00 25.00 H new ATOM 0 HB2 GLN A 484 -1.950 -45.957 -20.048 1.00 25.00 H new ATOM 0 HB3 GLN A 484 -2.089 -45.979 -21.794 1.00 25.00 H new ATOM 0 HG2 GLN A 484 -4.509 -46.674 -21.497 1.00 25.00 H new ATOM 0 HG3 GLN A 484 -4.311 -46.382 -19.780 1.00 25.00 H new ATOM 0 HE21 GLN A 484 -4.510 -44.953 -22.956 1.00 25.00 H new ATOM 0 HE22 GLN A 484 -4.674 -43.278 -22.420 1.00 25.00 H new ATOM 1055 N PHE A 485 -3.739 -49.233 -19.577 1.00 25.00 N ATOM 1056 CA PHE A 485 -4.172 -49.981 -18.424 1.00 25.00 C ATOM 1057 C PHE A 485 -3.363 -51.270 -18.339 1.00 25.00 C ATOM 1058 O PHE A 485 -3.083 -51.776 -17.260 1.00 25.00 O ATOM 1059 CB PHE A 485 -5.655 -50.293 -18.564 1.00 25.00 C ATOM 1060 CG PHE A 485 -6.562 -49.155 -18.151 1.00 25.00 C ATOM 1061 CD1 PHE A 485 -7.605 -48.726 -18.997 1.00 25.00 C ATOM 1062 CD2 PHE A 485 -6.387 -48.511 -16.908 1.00 25.00 C ATOM 1063 CE1 PHE A 485 -8.456 -47.658 -18.618 1.00 25.00 C ATOM 1064 CE2 PHE A 485 -7.233 -47.441 -16.520 1.00 25.00 C ATOM 1065 CZ PHE A 485 -8.264 -47.013 -17.381 1.00 25.00 C ATOM 0 H PHE A 485 -4.409 -49.211 -20.345 1.00 25.00 H new ATOM 0 HA PHE A 485 -4.016 -49.402 -17.514 1.00 25.00 H new ATOM 0 HB2 PHE A 485 -5.865 -50.554 -19.601 1.00 25.00 H new ATOM 0 HB3 PHE A 485 -5.890 -51.170 -17.961 1.00 25.00 H new ATOM 0 HD1 PHE A 485 -7.757 -49.218 -19.946 1.00 25.00 H new ATOM 0 HD2 PHE A 485 -5.600 -48.837 -16.244 1.00 25.00 H new ATOM 0 HE1 PHE A 485 -9.250 -47.339 -19.277 1.00 25.00 H new ATOM 0 HE2 PHE A 485 -7.088 -46.955 -15.567 1.00 25.00 H new ATOM 0 HZ PHE A 485 -8.905 -46.193 -17.093 1.00 25.00 H new