USER MOD reduce.3.24.130724 H: found=0, std=0, add=976, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 829 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 476 ASN : amide:sc= -6.75! C(o=-18!,f=-27!) USER MOD Set 1.2: A 480 GLN : amide:sc= -10.8! C(o=-18!,f=-18!) USER MOD Set 2.1: A 443 GLN :FLIP amide:sc= 0.541 F(o=0.1,f=1.1) USER MOD Set 2.2: A 475 SER OG : rot -119:sc= 0.59 USER MOD Set 3.1: A 473 MET CE :methyl 149:sc= -11.5! (180deg=-11.7!) USER MOD Set 3.2: A 485 CYS SG : rot -86:sc= -2.92! USER MOD Set 4.1: A 471 GLN : amide:sc= -1.93 K(o=-7.6,f=-8.1) USER MOD Set 4.2: A 474 MET CE :methyl -148:sc= -5.63! (180deg=-7.27!) USER MOD Set 5.1: A 462 CYS SG : rot -99:sc= -0.256 USER MOD Set 5.2: A 503 THR OG1 : rot -63:sc= 1.08 USER MOD Set 6.1: A 458 SER OG : rot -116:sc= 2.23 USER MOD Set 6.2: A 494 SER OG : rot -63:sc= 0.74 USER MOD Set 6.3: A 498 GLN : amide:sc= 1.01 K(o=4,f=-1.6) USER MOD Single : A 395 TYR OH : rot 180:sc= 0 USER MOD Single : A 396 ASN : amide:sc= -6.55! C(o=-6.6!,f=-11!) USER MOD Single : A 401 HIS : no HD1:sc= -11! C(o=-11!,f=-13!) USER MOD Single : A 407 HIS : no HD1:sc= -1.47 X(o=-1.5,f=-1.2) USER MOD Single : A 415 LYS NZ :NH3+ 177:sc= -0.187 (180deg=-0.195) USER MOD Single : A 426 THR OG1 : rot 180:sc= 0 USER MOD Single : A 448 HIS : no HD1:sc= -2.07 K(o=-2.1,f=-3.4!) USER MOD Single : A 449 SER OG : rot -48:sc= -0.485 USER MOD Single : A 457 THR OG1 : rot 180:sc= -0.0932 USER MOD Single : A 459 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 465 SER OG : rot 120:sc= -5.71! USER MOD Single : A 467 HIS : no HD1:sc= -3.31! C(o=-3.3!,f=-4!) USER MOD Single : A 468 GLN : amide:sc= -9.32! C(o=-9.3!,f=-15!) USER MOD Single : A 470 ASN :FLIP amide:sc= -0.306 F(o=-2.5,f=-0.31) USER MOD Single : A 478 THR OG1 : rot -15:sc= 0.855 USER MOD Single : A 482 SER OG : rot 180:sc= 0 USER MOD Single : A 495 SER OG : rot 180:sc= 0 USER MOD Single : A 500 SER OG : rot 180:sc= 0 USER MOD Single : A 501 SER OG : rot 180:sc= 0 USER MOD Single : A 505 SER OG : rot -29:sc= 0.188 USER MOD Single : A 508 SER OG : rot 44:sc= -1.21 USER MOD Single : A 516 HIS : no HD1:sc= -1.88 X(o=-1.9,f=-2!) USER MOD Single : A 517 SER OG : rot -179:sc= -1.47! USER MOD Single : A 518 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 523 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 526 ASN : amide:sc= -3.11! C(o=-3.1!,f=-4.5!) USER MOD Single : A 527 THR OG1 : rot 120:sc= 0 USER MOD Single : A 529 LYS NZ :NH3+ -136:sc= -0.207 (180deg=-0.915) USER MOD Single : A 531 HIS : no HD1:sc= -6.08! C(o=-6.1!,f=-10!) USER MOD ----------------------------------------------------------------- ATOM 125 N TYR A 395 3.887 8.945 4.264 1.00 10.15 N ATOM 126 CA TYR A 395 3.442 7.645 3.791 1.00 24.02 C ATOM 127 C TYR A 395 4.116 7.284 2.465 1.00 40.14 C ATOM 128 O TYR A 395 4.220 8.121 1.569 1.00 44.22 O ATOM 129 CB TYR A 395 1.935 7.772 3.566 1.00 12.31 C ATOM 130 CG TYR A 395 1.133 8.016 4.844 1.00 51.51 C ATOM 131 CD1 TYR A 395 1.757 7.952 6.074 1.00 54.32 C ATOM 132 CD2 TYR A 395 -0.216 8.302 4.770 1.00 34.14 C ATOM 133 CE1 TYR A 395 1.001 8.183 7.278 1.00 35.02 C ATOM 134 CE2 TYR A 395 -0.972 8.533 5.975 1.00 75.42 C ATOM 135 CZ TYR A 395 -0.325 8.461 7.168 1.00 41.23 C ATOM 136 OH TYR A 395 -1.038 8.679 8.306 1.00 54.15 O ATOM 0 HA TYR A 395 3.693 6.867 4.512 1.00 24.02 H new ATOM 0 HB2 TYR A 395 1.750 8.591 2.871 1.00 12.31 H new ATOM 0 HB3 TYR A 395 1.571 6.862 3.090 1.00 12.31 H new ATOM 0 HD1 TYR A 395 2.812 7.729 6.133 1.00 54.32 H new ATOM 0 HD2 TYR A 395 -0.705 8.353 3.808 1.00 34.14 H new ATOM 0 HE1 TYR A 395 1.477 8.136 8.246 1.00 35.02 H new ATOM 0 HE2 TYR A 395 -2.027 8.758 5.931 1.00 75.42 H new ATOM 0 HH TYR A 395 -1.972 8.867 8.076 1.00 54.15 H new ATOM 145 N ASN A 396 4.557 6.037 2.384 1.00 74.33 N ATOM 146 CA ASN A 396 5.217 5.556 1.182 1.00 3.13 C ATOM 147 C ASN A 396 4.332 4.509 0.502 1.00 42.13 C ATOM 148 O ASN A 396 4.555 4.159 -0.656 1.00 2.20 O ATOM 149 CB ASN A 396 6.556 4.894 1.517 1.00 44.04 C ATOM 150 CG ASN A 396 7.665 5.940 1.653 1.00 23.43 C ATOM 151 OD1 ASN A 396 8.739 5.818 1.090 1.00 33.42 O ATOM 152 ND2 ASN A 396 7.344 6.971 2.429 1.00 62.33 N ATOM 0 H ASN A 396 4.470 5.346 3.130 1.00 74.33 H new ATOM 0 HA ASN A 396 5.389 6.411 0.528 1.00 3.13 H new ATOM 0 HB2 ASN A 396 6.465 4.332 2.446 1.00 44.04 H new ATOM 0 HB3 ASN A 396 6.818 4.180 0.736 1.00 44.04 H new ATOM 0 HD21 ASN A 396 8.016 7.723 2.582 1.00 62.33 H new ATOM 0 HD22 ASN A 396 6.425 7.010 2.871 1.00 62.33 H new ATOM 158 N PHE A 397 3.344 4.040 1.251 1.00 71.02 N ATOM 159 CA PHE A 397 2.422 3.043 0.736 1.00 32.43 C ATOM 160 C PHE A 397 1.247 2.833 1.693 1.00 75.44 C ATOM 161 O PHE A 397 1.439 2.741 2.905 1.00 71.12 O ATOM 162 CB PHE A 397 3.205 1.732 0.614 1.00 53.02 C ATOM 163 CG PHE A 397 3.875 1.285 1.913 1.00 43.14 C ATOM 164 CD1 PHE A 397 4.974 1.941 2.374 1.00 42.50 C ATOM 165 CD2 PHE A 397 3.371 0.231 2.610 1.00 33.52 C ATOM 166 CE1 PHE A 397 5.596 1.525 3.580 1.00 43.34 C ATOM 167 CE2 PHE A 397 3.994 -0.186 3.817 1.00 51.21 C ATOM 168 CZ PHE A 397 5.092 0.471 4.277 1.00 32.42 C ATOM 0 H PHE A 397 3.162 4.333 2.211 1.00 71.02 H new ATOM 0 HA PHE A 397 2.020 3.369 -0.223 1.00 32.43 H new ATOM 0 HB2 PHE A 397 2.528 0.947 0.277 1.00 53.02 H new ATOM 0 HB3 PHE A 397 3.968 1.847 -0.156 1.00 53.02 H new ATOM 0 HD1 PHE A 397 5.373 2.779 1.822 1.00 42.50 H new ATOM 0 HD2 PHE A 397 2.497 -0.289 2.246 1.00 33.52 H new ATOM 0 HE1 PHE A 397 6.469 2.045 3.944 1.00 43.34 H new ATOM 0 HE2 PHE A 397 3.596 -1.025 4.369 1.00 51.21 H new ATOM 0 HZ PHE A 397 5.564 0.156 5.196 1.00 32.42 H new ATOM 177 N VAL A 398 0.059 2.764 1.113 1.00 63.23 N ATOM 178 CA VAL A 398 -1.148 2.568 1.899 1.00 1.01 C ATOM 179 C VAL A 398 -1.560 1.095 1.833 1.00 42.24 C ATOM 180 O VAL A 398 -2.078 0.637 0.817 1.00 54.14 O ATOM 181 CB VAL A 398 -2.246 3.519 1.421 1.00 33.13 C ATOM 182 CG1 VAL A 398 -2.902 2.998 0.140 1.00 4.01 C ATOM 183 CG2 VAL A 398 -3.288 3.749 2.516 1.00 65.12 C ATOM 0 H VAL A 398 -0.095 2.840 0.108 1.00 63.23 H new ATOM 0 HA VAL A 398 -0.965 2.808 2.946 1.00 1.01 H new ATOM 0 HB VAL A 398 -1.782 4.479 1.194 1.00 33.13 H new ATOM 0 HG11 VAL A 398 -3.679 3.692 -0.179 1.00 4.01 H new ATOM 0 HG12 VAL A 398 -2.150 2.910 -0.644 1.00 4.01 H new ATOM 0 HG13 VAL A 398 -3.345 2.020 0.330 1.00 4.01 H new ATOM 0 HG21 VAL A 398 -4.057 4.429 2.149 1.00 65.12 H new ATOM 0 HG22 VAL A 398 -3.745 2.798 2.789 1.00 65.12 H new ATOM 0 HG23 VAL A 398 -2.806 4.185 3.391 1.00 65.12 H new ATOM 193 N ILE A 399 -1.316 0.396 2.932 1.00 43.44 N ATOM 194 CA ILE A 399 -1.656 -1.015 3.012 1.00 72.03 C ATOM 195 C ILE A 399 -3.161 -1.159 3.239 1.00 20.15 C ATOM 196 O ILE A 399 -3.634 -1.075 4.372 1.00 15.33 O ATOM 197 CB ILE A 399 -0.803 -1.711 4.074 1.00 31.15 C ATOM 198 CG1 ILE A 399 0.682 -1.404 3.874 1.00 43.42 C ATOM 199 CG2 ILE A 399 -1.079 -3.216 4.097 1.00 64.12 C ATOM 200 CD1 ILE A 399 1.541 -2.175 4.878 1.00 74.01 C ATOM 0 H ILE A 399 -0.887 0.780 3.774 1.00 43.44 H new ATOM 0 HA ILE A 399 -1.426 -1.518 2.073 1.00 72.03 H new ATOM 0 HB ILE A 399 -1.084 -1.316 5.050 1.00 31.15 H new ATOM 0 HG12 ILE A 399 0.978 -1.668 2.859 1.00 43.42 H new ATOM 0 HG13 ILE A 399 0.854 -0.334 3.989 1.00 43.42 H new ATOM 0 HG21 ILE A 399 -0.460 -3.688 4.860 1.00 64.12 H new ATOM 0 HG22 ILE A 399 -2.131 -3.390 4.324 1.00 64.12 H new ATOM 0 HG23 ILE A 399 -0.843 -3.644 3.123 1.00 64.12 H new ATOM 0 HD11 ILE A 399 2.592 -1.939 4.714 1.00 74.01 H new ATOM 0 HD12 ILE A 399 1.259 -1.891 5.892 1.00 74.01 H new ATOM 0 HD13 ILE A 399 1.384 -3.245 4.744 1.00 74.01 H new ATOM 211 N LEU A 400 -3.875 -1.376 2.143 1.00 23.23 N ATOM 212 CA LEU A 400 -5.317 -1.534 2.207 1.00 44.53 C ATOM 213 C LEU A 400 -5.650 -2.947 2.693 1.00 61.14 C ATOM 214 O LEU A 400 -5.436 -3.920 1.973 1.00 62.22 O ATOM 215 CB LEU A 400 -5.957 -1.178 0.864 1.00 51.54 C ATOM 216 CG LEU A 400 -7.456 -1.458 0.739 1.00 24.32 C ATOM 217 CD1 LEU A 400 -8.155 -1.310 2.092 1.00 24.23 C ATOM 218 CD2 LEU A 400 -8.092 -0.572 -0.334 1.00 24.31 C ATOM 0 H LEU A 400 -3.480 -1.446 1.205 1.00 23.23 H new ATOM 0 HA LEU A 400 -5.744 -0.839 2.930 1.00 44.53 H new ATOM 0 HB2 LEU A 400 -5.789 -0.118 0.674 1.00 51.54 H new ATOM 0 HB3 LEU A 400 -5.438 -1.729 0.080 1.00 51.54 H new ATOM 0 HG LEU A 400 -7.585 -2.492 0.420 1.00 24.32 H new ATOM 0 HD11 LEU A 400 -9.219 -1.514 1.976 1.00 24.23 H new ATOM 0 HD12 LEU A 400 -7.725 -2.016 2.803 1.00 24.23 H new ATOM 0 HD13 LEU A 400 -8.019 -0.294 2.463 1.00 24.23 H new ATOM 0 HD21 LEU A 400 -9.158 -0.791 -0.402 1.00 24.31 H new ATOM 0 HD22 LEU A 400 -7.954 0.476 -0.069 1.00 24.31 H new ATOM 0 HD23 LEU A 400 -7.619 -0.769 -1.296 1.00 24.31 H new ATOM 229 N HIS A 401 -6.169 -3.013 3.910 1.00 33.02 N ATOM 230 CA HIS A 401 -6.534 -4.291 4.500 1.00 0.43 C ATOM 231 C HIS A 401 -7.786 -4.119 5.362 1.00 22.23 C ATOM 232 O HIS A 401 -8.263 -3.002 5.556 1.00 30.51 O ATOM 233 CB HIS A 401 -5.357 -4.887 5.274 1.00 52.03 C ATOM 234 CG HIS A 401 -5.116 -4.239 6.618 1.00 22.24 C ATOM 235 ND1 HIS A 401 -5.785 -4.626 7.766 1.00 24.01 N ATOM 236 CD2 HIS A 401 -4.274 -3.233 6.983 1.00 74.45 C ATOM 237 CE1 HIS A 401 -5.357 -3.877 8.772 1.00 34.53 C ATOM 238 NE2 HIS A 401 -4.420 -3.013 8.285 1.00 11.42 N ATOM 0 H HIS A 401 -6.346 -2.203 4.504 1.00 33.02 H new ATOM 0 HA HIS A 401 -6.774 -5.005 3.712 1.00 0.43 H new ATOM 0 HB2 HIS A 401 -5.534 -5.952 5.422 1.00 52.03 H new ATOM 0 HB3 HIS A 401 -4.454 -4.795 4.670 1.00 52.03 H new ATOM 0 HD2 HIS A 401 -3.601 -2.703 6.325 1.00 74.45 H new ATOM 0 HE1 HIS A 401 -5.691 -3.940 9.797 1.00 34.53 H new ATOM 0 HE2 HIS A 401 -3.915 -2.314 8.830 1.00 11.42 H new ATOM 246 N ALA A 402 -8.284 -5.243 5.856 1.00 21.44 N ATOM 247 CA ALA A 402 -9.472 -5.232 6.693 1.00 31.52 C ATOM 248 C ALA A 402 -9.148 -4.543 8.020 1.00 62.12 C ATOM 249 O ALA A 402 -8.107 -3.900 8.153 1.00 53.23 O ATOM 250 CB ALA A 402 -9.973 -6.665 6.886 1.00 51.11 C ATOM 0 H ALA A 402 -7.886 -6.168 5.693 1.00 21.44 H new ATOM 0 HA ALA A 402 -10.274 -4.668 6.216 1.00 31.52 H new ATOM 0 HB1 ALA A 402 -10.864 -6.657 7.514 1.00 51.11 H new ATOM 0 HB2 ALA A 402 -10.216 -7.099 5.916 1.00 51.11 H new ATOM 0 HB3 ALA A 402 -9.196 -7.260 7.366 1.00 51.11 H new ATOM 256 N ARG A 403 -10.058 -4.700 8.969 1.00 21.15 N ATOM 257 CA ARG A 403 -9.883 -4.101 10.281 1.00 41.43 C ATOM 258 C ARG A 403 -9.361 -5.140 11.274 1.00 3.54 C ATOM 259 O ARG A 403 -8.950 -4.796 12.382 1.00 54.21 O ATOM 260 CB ARG A 403 -11.201 -3.524 10.803 1.00 62.11 C ATOM 261 CG ARG A 403 -11.994 -4.581 11.576 1.00 34.23 C ATOM 262 CD ARG A 403 -12.463 -5.702 10.647 1.00 21.21 C ATOM 263 NE ARG A 403 -13.198 -5.133 9.495 1.00 60.43 N ATOM 264 CZ ARG A 403 -14.416 -4.558 9.585 1.00 54.00 C ATOM 265 NH1 ARG A 403 -15.047 -4.472 10.775 1.00 52.52 N ATOM 266 NH2 ARG A 403 -14.980 -4.081 8.491 1.00 45.43 N ATOM 0 H ARG A 403 -10.920 -5.234 8.856 1.00 21.15 H new ATOM 0 HA ARG A 403 -9.159 -3.292 10.182 1.00 41.43 H new ATOM 0 HB2 ARG A 403 -10.998 -2.671 11.450 1.00 62.11 H new ATOM 0 HB3 ARG A 403 -11.797 -3.155 9.968 1.00 62.11 H new ATOM 0 HG2 ARG A 403 -11.374 -4.997 12.370 1.00 34.23 H new ATOM 0 HG3 ARG A 403 -12.856 -4.116 12.055 1.00 34.23 H new ATOM 0 HD2 ARG A 403 -11.606 -6.275 10.294 1.00 21.21 H new ATOM 0 HD3 ARG A 403 -13.105 -6.393 11.193 1.00 21.21 H new ATOM 0 HE ARG A 403 -12.757 -5.178 8.576 1.00 60.43 H new ATOM 0 HH11 ARG A 403 -14.604 -4.843 11.615 1.00 52.52 H new ATOM 0 HH12 ARG A 403 -15.967 -4.036 10.834 1.00 52.52 H new ATOM 0 HH21 ARG A 403 -14.496 -4.150 7.596 1.00 45.43 H new ATOM 0 HH22 ARG A 403 -15.900 -3.643 8.541 1.00 45.43 H new ATOM 276 N ALA A 404 -9.392 -6.393 10.842 1.00 11.51 N ATOM 277 CA ALA A 404 -8.926 -7.486 11.680 1.00 34.31 C ATOM 278 C ALA A 404 -7.554 -7.949 11.189 1.00 72.43 C ATOM 279 O ALA A 404 -7.103 -9.040 11.534 1.00 74.13 O ATOM 280 CB ALA A 404 -9.960 -8.612 11.670 1.00 14.54 C ATOM 0 H ALA A 404 -9.732 -6.676 9.923 1.00 11.51 H new ATOM 0 HA ALA A 404 -8.812 -7.157 12.713 1.00 34.31 H new ATOM 0 HB1 ALA A 404 -9.611 -9.432 12.298 1.00 14.54 H new ATOM 0 HB2 ALA A 404 -10.909 -8.238 12.055 1.00 14.54 H new ATOM 0 HB3 ALA A 404 -10.098 -8.970 10.650 1.00 14.54 H new ATOM 286 N ASP A 405 -6.927 -7.097 10.392 1.00 73.11 N ATOM 287 CA ASP A 405 -5.614 -7.405 9.848 1.00 44.42 C ATOM 288 C ASP A 405 -4.642 -6.280 10.207 1.00 44.14 C ATOM 289 O ASP A 405 -3.666 -6.046 9.497 1.00 1.54 O ATOM 290 CB ASP A 405 -5.661 -7.520 8.324 1.00 53.23 C ATOM 291 CG ASP A 405 -5.270 -8.891 7.768 1.00 50.22 C ATOM 292 OD1 ASP A 405 -4.296 -9.018 7.011 1.00 34.04 O ATOM 293 OD2 ASP A 405 -6.024 -9.868 8.146 1.00 72.42 O ATOM 0 H ASP A 405 -7.304 -6.192 10.109 1.00 73.11 H new ATOM 0 HA ASP A 405 -5.289 -8.356 10.271 1.00 44.42 H new ATOM 0 HB2 ASP A 405 -6.670 -7.282 7.987 1.00 53.23 H new ATOM 0 HB3 ASP A 405 -4.997 -6.768 7.897 1.00 53.23 H new ATOM 298 N GLU A 406 -4.942 -5.611 11.313 1.00 25.15 N ATOM 299 CA GLU A 406 -4.106 -4.517 11.776 1.00 54.11 C ATOM 300 C GLU A 406 -2.695 -5.020 12.086 1.00 52.43 C ATOM 301 O GLU A 406 -1.766 -4.789 11.314 1.00 43.34 O ATOM 302 CB GLU A 406 -4.725 -3.831 12.994 1.00 3.11 C ATOM 303 CG GLU A 406 -3.711 -2.919 13.685 1.00 25.53 C ATOM 304 CD GLU A 406 -4.313 -2.275 14.936 1.00 41.34 C ATOM 305 OE1 GLU A 406 -4.064 -2.744 16.057 1.00 51.02 O ATOM 306 OE2 GLU A 406 -5.066 -1.250 14.712 1.00 61.42 O ATOM 0 H GLU A 406 -5.752 -5.807 11.901 1.00 25.15 H new ATOM 0 HA GLU A 406 -4.038 -3.776 10.980 1.00 54.11 H new ATOM 0 HB2 GLU A 406 -5.592 -3.248 12.685 1.00 3.11 H new ATOM 0 HB3 GLU A 406 -5.081 -4.584 13.698 1.00 3.11 H new ATOM 0 HG2 GLU A 406 -2.826 -3.494 13.958 1.00 25.53 H new ATOM 0 HG3 GLU A 406 -3.385 -2.142 12.993 1.00 25.53 H new ATOM 312 N HIS A 407 -2.581 -5.698 13.219 1.00 10.11 N ATOM 313 CA HIS A 407 -1.298 -6.235 13.641 1.00 24.42 C ATOM 314 C HIS A 407 -0.573 -6.841 12.438 1.00 1.40 C ATOM 315 O HIS A 407 0.653 -6.796 12.361 1.00 32.40 O ATOM 316 CB HIS A 407 -1.479 -7.233 14.787 1.00 1.45 C ATOM 317 CG HIS A 407 -2.193 -8.504 14.390 1.00 75.42 C ATOM 318 ND1 HIS A 407 -3.464 -8.509 13.842 1.00 43.40 N ATOM 319 CD2 HIS A 407 -1.799 -9.807 14.463 1.00 60.21 C ATOM 320 CE1 HIS A 407 -3.809 -9.766 13.603 1.00 51.43 C ATOM 321 NE2 HIS A 407 -2.776 -10.568 13.988 1.00 4.25 N ATOM 0 H HIS A 407 -3.354 -5.887 13.857 1.00 10.11 H new ATOM 0 HA HIS A 407 -0.673 -5.431 14.030 1.00 24.42 H new ATOM 0 HB2 HIS A 407 -0.499 -7.490 15.189 1.00 1.45 H new ATOM 0 HB3 HIS A 407 -2.037 -6.751 15.590 1.00 1.45 H new ATOM 0 HD2 HIS A 407 -0.852 -10.160 14.843 1.00 60.21 H new ATOM 0 HE1 HIS A 407 -4.745 -10.097 13.178 1.00 51.43 H new ATOM 0 HE2 HIS A 407 -2.757 -11.586 13.922 1.00 4.25 H new ATOM 328 N ILE A 408 -1.363 -7.392 11.528 1.00 32.44 N ATOM 329 CA ILE A 408 -0.812 -8.005 10.332 1.00 71.44 C ATOM 330 C ILE A 408 -0.077 -6.942 9.511 1.00 5.43 C ATOM 331 O ILE A 408 1.068 -7.143 9.114 1.00 34.11 O ATOM 332 CB ILE A 408 -1.905 -8.738 9.553 1.00 52.52 C ATOM 333 CG1 ILE A 408 -2.523 -9.857 10.392 1.00 65.34 C ATOM 334 CG2 ILE A 408 -1.374 -9.253 8.214 1.00 74.03 C ATOM 335 CD1 ILE A 408 -3.554 -10.647 9.584 1.00 31.33 C ATOM 0 H ILE A 408 -2.380 -7.427 11.595 1.00 32.44 H new ATOM 0 HA ILE A 408 -0.078 -8.766 10.598 1.00 71.44 H new ATOM 0 HB ILE A 408 -2.700 -8.026 9.332 1.00 52.52 H new ATOM 0 HG12 ILE A 408 -1.739 -10.528 10.742 1.00 65.34 H new ATOM 0 HG13 ILE A 408 -2.998 -9.433 11.277 1.00 65.34 H new ATOM 0 HG21 ILE A 408 -2.172 -9.770 7.681 1.00 74.03 H new ATOM 0 HG22 ILE A 408 -1.022 -8.413 7.615 1.00 74.03 H new ATOM 0 HG23 ILE A 408 -0.549 -9.943 8.391 1.00 74.03 H new ATOM 0 HD11 ILE A 408 -3.977 -11.436 10.206 1.00 31.33 H new ATOM 0 HD12 ILE A 408 -4.350 -9.978 9.256 1.00 31.33 H new ATOM 0 HD13 ILE A 408 -3.071 -11.091 8.713 1.00 31.33 H new ATOM 346 N ALA A 409 -0.769 -5.835 9.282 1.00 4.24 N ATOM 347 CA ALA A 409 -0.197 -4.741 8.516 1.00 12.53 C ATOM 348 C ALA A 409 0.888 -4.056 9.348 1.00 72.34 C ATOM 349 O ALA A 409 2.046 -3.996 8.935 1.00 11.23 O ATOM 350 CB ALA A 409 -1.309 -3.776 8.097 1.00 62.22 C ATOM 0 H ALA A 409 -1.720 -5.673 9.613 1.00 4.24 H new ATOM 0 HA ALA A 409 0.272 -5.113 7.605 1.00 12.53 H new ATOM 0 HB1 ALA A 409 -0.881 -2.955 7.522 1.00 62.22 H new ATOM 0 HB2 ALA A 409 -2.039 -4.306 7.485 1.00 62.22 H new ATOM 0 HB3 ALA A 409 -1.800 -3.379 8.985 1.00 62.22 H new ATOM 356 N LEU A 410 0.476 -3.554 10.502 1.00 3.23 N ATOM 357 CA LEU A 410 1.399 -2.875 11.395 1.00 63.21 C ATOM 358 C LEU A 410 2.655 -3.730 11.570 1.00 64.41 C ATOM 359 O LEU A 410 3.724 -3.213 11.889 1.00 53.35 O ATOM 360 CB LEU A 410 0.708 -2.522 12.713 1.00 41.13 C ATOM 361 CG LEU A 410 -0.279 -1.353 12.660 1.00 62.43 C ATOM 362 CD1 LEU A 410 -1.427 -1.648 11.694 1.00 43.02 C ATOM 363 CD2 LEU A 410 -0.784 -0.997 14.061 1.00 4.01 C ATOM 0 H LEU A 410 -0.485 -3.604 10.840 1.00 3.23 H new ATOM 0 HA LEU A 410 1.716 -1.926 10.964 1.00 63.21 H new ATOM 0 HB2 LEU A 410 0.177 -3.404 13.070 1.00 41.13 H new ATOM 0 HB3 LEU A 410 1.475 -2.291 13.452 1.00 41.13 H new ATOM 0 HG LEU A 410 0.247 -0.479 12.276 1.00 62.43 H new ATOM 0 HD11 LEU A 410 -2.113 -0.802 11.675 1.00 43.02 H new ATOM 0 HD12 LEU A 410 -1.027 -1.813 10.693 1.00 43.02 H new ATOM 0 HD13 LEU A 410 -1.960 -2.540 12.024 1.00 43.02 H new ATOM 0 HD21 LEU A 410 -1.483 -0.164 13.995 1.00 4.01 H new ATOM 0 HD22 LEU A 410 -1.288 -1.860 14.496 1.00 4.01 H new ATOM 0 HD23 LEU A 410 0.059 -0.714 14.691 1.00 4.01 H new ATOM 374 N ARG A 411 2.485 -5.026 11.354 1.00 40.25 N ATOM 375 CA ARG A 411 3.592 -5.958 11.485 1.00 11.15 C ATOM 376 C ARG A 411 4.520 -5.852 10.273 1.00 45.01 C ATOM 377 O ARG A 411 5.738 -5.970 10.407 1.00 10.34 O ATOM 378 CB ARG A 411 3.088 -7.398 11.607 1.00 63.01 C ATOM 379 CG ARG A 411 4.213 -8.397 11.332 1.00 25.11 C ATOM 380 CD ARG A 411 4.331 -8.693 9.835 1.00 45.25 C ATOM 381 NE ARG A 411 4.668 -10.117 9.625 1.00 31.53 N ATOM 382 CZ ARG A 411 5.881 -10.655 9.881 1.00 72.04 C ATOM 383 NH1 ARG A 411 6.882 -9.887 10.360 1.00 41.34 N ATOM 384 NH2 ARG A 411 6.071 -11.941 9.656 1.00 24.43 N ATOM 0 H ARG A 411 1.597 -5.453 11.089 1.00 40.25 H new ATOM 0 HA ARG A 411 4.139 -5.698 12.391 1.00 11.15 H new ATOM 0 HB2 ARG A 411 2.686 -7.563 12.607 1.00 63.01 H new ATOM 0 HB3 ARG A 411 2.271 -7.562 10.904 1.00 63.01 H new ATOM 0 HG2 ARG A 411 5.157 -7.998 11.703 1.00 25.11 H new ATOM 0 HG3 ARG A 411 4.023 -9.323 11.875 1.00 25.11 H new ATOM 0 HD2 ARG A 411 3.393 -8.455 9.334 1.00 45.25 H new ATOM 0 HD3 ARG A 411 5.099 -8.060 9.390 1.00 45.25 H new ATOM 0 HE ARG A 411 3.939 -10.732 9.264 1.00 31.53 H new ATOM 0 HH11 ARG A 411 6.726 -8.894 10.531 1.00 41.34 H new ATOM 0 HH12 ARG A 411 7.795 -10.300 10.551 1.00 41.34 H new ATOM 0 HH21 ARG A 411 5.308 -12.514 9.294 1.00 24.43 H new ATOM 0 HH22 ARG A 411 6.981 -12.363 9.844 1.00 24.43 H new ATOM 394 N VAL A 412 3.912 -5.630 9.119 1.00 13.24 N ATOM 395 CA VAL A 412 4.668 -5.506 7.885 1.00 35.04 C ATOM 396 C VAL A 412 5.364 -4.145 7.852 1.00 2.14 C ATOM 397 O VAL A 412 6.572 -4.065 7.638 1.00 20.34 O ATOM 398 CB VAL A 412 3.751 -5.738 6.682 1.00 13.50 C ATOM 399 CG1 VAL A 412 4.282 -5.019 5.441 1.00 15.44 C ATOM 400 CG2 VAL A 412 3.566 -7.232 6.413 1.00 14.22 C ATOM 0 H VAL A 412 2.902 -5.532 9.012 1.00 13.24 H new ATOM 0 HA VAL A 412 5.445 -6.269 7.836 1.00 35.04 H new ATOM 0 HB VAL A 412 2.774 -5.318 6.920 1.00 13.50 H new ATOM 0 HG11 VAL A 412 3.612 -5.200 4.601 1.00 15.44 H new ATOM 0 HG12 VAL A 412 4.337 -3.948 5.637 1.00 15.44 H new ATOM 0 HG13 VAL A 412 5.276 -5.395 5.200 1.00 15.44 H new ATOM 0 HG21 VAL A 412 2.910 -7.368 5.553 1.00 14.22 H new ATOM 0 HG22 VAL A 412 4.535 -7.687 6.206 1.00 14.22 H new ATOM 0 HG23 VAL A 412 3.121 -7.707 7.288 1.00 14.22 H new ATOM 410 N ARG A 413 4.570 -3.106 8.068 1.00 61.40 N ATOM 411 CA ARG A 413 5.095 -1.751 8.065 1.00 24.10 C ATOM 412 C ARG A 413 6.505 -1.726 8.661 1.00 23.11 C ATOM 413 O ARG A 413 7.404 -1.092 8.111 1.00 52.13 O ATOM 414 CB ARG A 413 4.194 -0.810 8.868 1.00 24.11 C ATOM 415 CG ARG A 413 2.723 -1.016 8.502 1.00 43.23 C ATOM 416 CD ARG A 413 1.896 0.229 8.834 1.00 62.20 C ATOM 417 NE ARG A 413 2.349 0.808 10.118 1.00 71.05 N ATOM 418 CZ ARG A 413 1.559 1.531 10.942 1.00 21.43 C ATOM 419 NH1 ARG A 413 0.270 1.770 10.620 1.00 4.12 N ATOM 420 NH2 ARG A 413 2.069 2.002 12.066 1.00 24.24 N ATOM 0 H ARG A 413 3.568 -3.175 8.246 1.00 61.40 H new ATOM 0 HA ARG A 413 5.128 -1.411 7.030 1.00 24.10 H new ATOM 0 HB2 ARG A 413 4.336 -0.987 9.934 1.00 24.11 H new ATOM 0 HB3 ARG A 413 4.479 0.224 8.676 1.00 24.11 H new ATOM 0 HG2 ARG A 413 2.637 -1.241 7.439 1.00 43.23 H new ATOM 0 HG3 ARG A 413 2.327 -1.875 9.043 1.00 43.23 H new ATOM 0 HD2 ARG A 413 1.997 0.966 8.037 1.00 62.20 H new ATOM 0 HD3 ARG A 413 0.839 -0.032 8.895 1.00 62.20 H new ATOM 0 HE ARG A 413 3.317 0.652 10.398 1.00 71.05 H new ATOM 0 HH11 ARG A 413 -0.114 1.404 9.749 1.00 4.12 H new ATOM 0 HH12 ARG A 413 -0.320 2.317 11.248 1.00 4.12 H new ATOM 0 HH21 ARG A 413 3.045 1.818 12.300 1.00 24.24 H new ATOM 0 HH22 ARG A 413 1.487 2.550 12.700 1.00 24.24 H new ATOM 430 N GLU A 414 6.653 -2.425 9.777 1.00 11.22 N ATOM 431 CA GLU A 414 7.938 -2.492 10.453 1.00 55.21 C ATOM 432 C GLU A 414 8.932 -3.309 9.625 1.00 2.33 C ATOM 433 O GLU A 414 9.963 -2.794 9.201 1.00 73.42 O ATOM 434 CB GLU A 414 7.787 -3.073 11.860 1.00 43.13 C ATOM 435 CG GLU A 414 6.998 -2.124 12.763 1.00 44.35 C ATOM 436 CD GLU A 414 6.895 -2.680 14.185 1.00 42.31 C ATOM 437 OE1 GLU A 414 7.754 -3.466 14.607 1.00 30.55 O ATOM 438 OE2 GLU A 414 5.875 -2.267 14.860 1.00 70.44 O ATOM 0 H GLU A 414 5.905 -2.950 10.230 1.00 11.22 H new ATOM 0 HA GLU A 414 8.327 -1.479 10.554 1.00 55.21 H new ATOM 0 HB2 GLU A 414 7.280 -4.036 11.807 1.00 43.13 H new ATOM 0 HB3 GLU A 414 8.772 -3.255 12.290 1.00 43.13 H new ATOM 0 HG2 GLU A 414 7.484 -1.148 12.784 1.00 44.35 H new ATOM 0 HG3 GLU A 414 5.999 -1.974 12.354 1.00 44.35 H new ATOM 444 N LYS A 415 8.584 -4.572 9.420 1.00 53.41 N ATOM 445 CA LYS A 415 9.432 -5.466 8.651 1.00 32.42 C ATOM 446 C LYS A 415 10.033 -4.702 7.470 1.00 40.01 C ATOM 447 O LYS A 415 11.248 -4.707 7.275 1.00 65.35 O ATOM 448 CB LYS A 415 8.657 -6.720 8.241 1.00 20.32 C ATOM 449 CG LYS A 415 9.495 -7.980 8.464 1.00 63.54 C ATOM 450 CD LYS A 415 10.861 -7.858 7.782 1.00 4.51 C ATOM 451 CE LYS A 415 10.733 -8.025 6.267 1.00 15.31 C ATOM 452 NZ LYS A 415 12.053 -8.322 5.665 1.00 43.33 N ATOM 0 H LYS A 415 7.726 -4.996 9.773 1.00 53.41 H new ATOM 0 HA LYS A 415 10.264 -5.819 9.260 1.00 32.42 H new ATOM 0 HB2 LYS A 415 7.734 -6.786 8.817 1.00 20.32 H new ATOM 0 HB3 LYS A 415 8.373 -6.649 7.191 1.00 20.32 H new ATOM 0 HG2 LYS A 415 9.632 -8.146 9.533 1.00 63.54 H new ATOM 0 HG3 LYS A 415 8.965 -8.848 8.072 1.00 63.54 H new ATOM 0 HD2 LYS A 415 11.299 -6.886 8.009 1.00 4.51 H new ATOM 0 HD3 LYS A 415 11.539 -8.614 8.179 1.00 4.51 H new ATOM 0 HE2 LYS A 415 10.034 -8.831 6.042 1.00 15.31 H new ATOM 0 HE3 LYS A 415 10.323 -7.115 5.828 1.00 15.31 H new ATOM 0 HZ1 LYS A 415 11.941 -8.483 4.644 1.00 43.33 H new ATOM 0 HZ2 LYS A 415 12.694 -7.518 5.821 1.00 43.33 H new ATOM 0 HZ3 LYS A 415 12.453 -9.174 6.107 1.00 43.33 H new ATOM 461 N LEU A 416 9.156 -4.062 6.712 1.00 53.34 N ATOM 462 CA LEU A 416 9.584 -3.294 5.555 1.00 20.23 C ATOM 463 C LEU A 416 10.844 -2.502 5.912 1.00 15.32 C ATOM 464 O LEU A 416 11.879 -2.649 5.264 1.00 52.13 O ATOM 465 CB LEU A 416 8.438 -2.424 5.034 1.00 31.41 C ATOM 466 CG LEU A 416 7.210 -3.175 4.515 1.00 51.25 C ATOM 467 CD1 LEU A 416 6.071 -2.205 4.194 1.00 50.31 C ATOM 468 CD2 LEU A 416 7.570 -4.052 3.315 1.00 40.11 C ATOM 0 H LEU A 416 8.149 -4.059 6.876 1.00 53.34 H new ATOM 0 HA LEU A 416 9.847 -3.959 4.733 1.00 20.23 H new ATOM 0 HB2 LEU A 416 8.120 -1.758 5.836 1.00 31.41 H new ATOM 0 HB3 LEU A 416 8.822 -1.795 4.230 1.00 31.41 H new ATOM 0 HG LEU A 416 6.857 -3.839 5.304 1.00 51.25 H new ATOM 0 HD11 LEU A 416 5.210 -2.764 3.827 1.00 50.31 H new ATOM 0 HD12 LEU A 416 5.792 -1.660 5.096 1.00 50.31 H new ATOM 0 HD13 LEU A 416 6.398 -1.500 3.430 1.00 50.31 H new ATOM 0 HD21 LEU A 416 6.679 -4.574 2.966 1.00 40.11 H new ATOM 0 HD22 LEU A 416 7.962 -3.427 2.512 1.00 40.11 H new ATOM 0 HD23 LEU A 416 8.326 -4.780 3.610 1.00 40.11 H new ATOM 479 N GLU A 417 10.715 -1.679 6.943 1.00 11.11 N ATOM 480 CA GLU A 417 11.830 -0.863 7.393 1.00 3.20 C ATOM 481 C GLU A 417 13.142 -1.638 7.256 1.00 70.14 C ATOM 482 O GLU A 417 14.160 -1.073 6.855 1.00 34.34 O ATOM 483 CB GLU A 417 11.618 -0.396 8.835 1.00 54.44 C ATOM 484 CG GLU A 417 10.278 0.330 8.985 1.00 61.44 C ATOM 485 CD GLU A 417 10.404 1.520 9.939 1.00 54.53 C ATOM 486 OE1 GLU A 417 9.716 2.536 9.755 1.00 21.32 O ATOM 487 OE2 GLU A 417 11.250 1.362 10.899 1.00 75.42 O ATOM 0 H GLU A 417 9.856 -1.560 7.479 1.00 11.11 H new ATOM 0 HA GLU A 417 11.886 0.024 6.762 1.00 3.20 H new ATOM 0 HB2 GLU A 417 11.648 -1.254 9.507 1.00 54.44 H new ATOM 0 HB3 GLU A 417 12.431 0.268 9.129 1.00 54.44 H new ATOM 0 HG2 GLU A 417 9.936 0.676 8.009 1.00 61.44 H new ATOM 0 HG3 GLU A 417 9.525 -0.363 9.359 1.00 61.44 H new ATOM 493 N ALA A 418 13.077 -2.915 7.597 1.00 22.54 N ATOM 494 CA ALA A 418 14.249 -3.772 7.516 1.00 72.23 C ATOM 495 C ALA A 418 14.822 -3.713 6.099 1.00 33.41 C ATOM 496 O ALA A 418 16.005 -3.435 5.915 1.00 72.45 O ATOM 497 CB ALA A 418 13.870 -5.195 7.934 1.00 63.54 C ATOM 0 H ALA A 418 12.232 -3.379 7.930 1.00 22.54 H new ATOM 0 HA ALA A 418 15.025 -3.427 8.199 1.00 72.23 H new ATOM 0 HB1 ALA A 418 14.748 -5.838 7.874 1.00 63.54 H new ATOM 0 HB2 ALA A 418 13.497 -5.186 8.958 1.00 63.54 H new ATOM 0 HB3 ALA A 418 13.095 -5.576 7.269 1.00 63.54 H new ATOM 503 N LEU A 419 13.955 -3.980 5.133 1.00 30.00 N ATOM 504 CA LEU A 419 14.359 -3.962 3.738 1.00 53.14 C ATOM 505 C LEU A 419 14.713 -2.529 3.333 1.00 23.20 C ATOM 506 O LEU A 419 15.739 -2.295 2.695 1.00 31.41 O ATOM 507 CB LEU A 419 13.282 -4.599 2.859 1.00 72.43 C ATOM 508 CG LEU A 419 12.809 -5.992 3.282 1.00 63.12 C ATOM 509 CD1 LEU A 419 11.293 -6.128 3.125 1.00 75.34 C ATOM 510 CD2 LEU A 419 13.564 -7.083 2.520 1.00 61.25 C ATOM 0 H LEU A 419 12.974 -4.210 5.290 1.00 30.00 H new ATOM 0 HA LEU A 419 15.254 -4.567 3.594 1.00 53.14 H new ATOM 0 HB2 LEU A 419 12.418 -3.934 2.838 1.00 72.43 H new ATOM 0 HB3 LEU A 419 13.662 -4.660 1.839 1.00 72.43 H new ATOM 0 HG LEU A 419 13.036 -6.122 4.340 1.00 63.12 H new ATOM 0 HD11 LEU A 419 10.984 -7.127 3.432 1.00 75.34 H new ATOM 0 HD12 LEU A 419 10.795 -5.386 3.749 1.00 75.34 H new ATOM 0 HD13 LEU A 419 11.019 -5.968 2.082 1.00 75.34 H new ATOM 0 HD21 LEU A 419 13.209 -8.063 2.840 1.00 61.25 H new ATOM 0 HD22 LEU A 419 13.391 -6.966 1.450 1.00 61.25 H new ATOM 0 HD23 LEU A 419 14.631 -6.999 2.726 1.00 61.25 H new ATOM 521 N GLY A 420 13.846 -1.606 3.723 1.00 33.23 N ATOM 522 CA GLY A 420 14.054 -0.203 3.409 1.00 55.04 C ATOM 523 C GLY A 420 12.787 0.613 3.677 1.00 52.01 C ATOM 524 O GLY A 420 12.741 1.402 4.620 1.00 14.20 O ATOM 0 H GLY A 420 12.998 -1.803 4.254 1.00 33.23 H new ATOM 0 HA2 GLY A 420 14.877 0.189 4.007 1.00 55.04 H new ATOM 0 HA3 GLY A 420 14.343 -0.100 2.363 1.00 55.04 H new ATOM 528 N VAL A 421 11.792 0.394 2.830 1.00 32.50 N ATOM 529 CA VAL A 421 10.529 1.100 2.963 1.00 12.55 C ATOM 530 C VAL A 421 10.169 1.216 4.445 1.00 50.45 C ATOM 531 O VAL A 421 10.320 0.259 5.203 1.00 1.13 O ATOM 532 CB VAL A 421 9.447 0.397 2.139 1.00 72.51 C ATOM 533 CG1 VAL A 421 9.674 -1.116 2.115 1.00 72.31 C ATOM 534 CG2 VAL A 421 8.051 0.734 2.666 1.00 34.54 C ATOM 0 H VAL A 421 11.835 -0.262 2.050 1.00 32.50 H new ATOM 0 HA VAL A 421 10.614 2.112 2.568 1.00 12.55 H new ATOM 0 HB VAL A 421 9.515 0.763 1.114 1.00 72.51 H new ATOM 0 HG11 VAL A 421 8.892 -1.592 1.523 1.00 72.31 H new ATOM 0 HG12 VAL A 421 10.646 -1.331 1.672 1.00 72.31 H new ATOM 0 HG13 VAL A 421 9.646 -1.504 3.133 1.00 72.31 H new ATOM 0 HG21 VAL A 421 7.301 0.222 2.063 1.00 34.54 H new ATOM 0 HG22 VAL A 421 7.966 0.410 3.703 1.00 34.54 H new ATOM 0 HG23 VAL A 421 7.890 1.810 2.608 1.00 34.54 H new ATOM 544 N PRO A 422 9.686 2.429 4.826 1.00 42.31 N ATOM 545 CA PRO A 422 9.304 2.684 6.205 1.00 15.50 C ATOM 546 C PRO A 422 7.969 2.012 6.536 1.00 22.33 C ATOM 547 O PRO A 422 7.495 1.160 5.785 1.00 51.24 O ATOM 548 CB PRO A 422 9.251 4.198 6.325 1.00 32.13 C ATOM 549 CG PRO A 422 9.150 4.726 4.903 1.00 50.34 C ATOM 550 CD PRO A 422 9.494 3.587 3.957 1.00 43.42 C ATOM 0 HA PRO A 422 10.010 2.265 6.922 1.00 15.50 H new ATOM 0 HB2 PRO A 422 8.394 4.513 6.920 1.00 32.13 H new ATOM 0 HB3 PRO A 422 10.142 4.582 6.822 1.00 32.13 H new ATOM 0 HG2 PRO A 422 8.145 5.097 4.704 1.00 50.34 H new ATOM 0 HG3 PRO A 422 9.833 5.563 4.757 1.00 50.34 H new ATOM 0 HD2 PRO A 422 8.693 3.414 3.238 1.00 43.42 H new ATOM 0 HD3 PRO A 422 10.395 3.806 3.384 1.00 43.42 H new ATOM 555 N ASP A 423 7.402 2.418 7.662 1.00 70.44 N ATOM 556 CA ASP A 423 6.132 1.865 8.103 1.00 72.43 C ATOM 557 C ASP A 423 5.081 2.086 7.014 1.00 1.53 C ATOM 558 O ASP A 423 4.317 1.176 6.690 1.00 20.54 O ATOM 559 CB ASP A 423 5.645 2.556 9.379 1.00 34.44 C ATOM 560 CG ASP A 423 5.855 4.071 9.415 1.00 14.44 C ATOM 561 OD1 ASP A 423 5.211 4.823 8.668 1.00 12.32 O ATOM 562 OD2 ASP A 423 6.733 4.479 10.265 1.00 25.54 O ATOM 0 H ASP A 423 7.798 3.124 8.283 1.00 70.44 H new ATOM 0 HA ASP A 423 6.275 0.803 8.301 1.00 72.43 H new ATOM 0 HB2 ASP A 423 4.582 2.349 9.503 1.00 34.44 H new ATOM 0 HB3 ASP A 423 6.158 2.113 10.233 1.00 34.44 H new ATOM 567 N GLY A 424 5.073 3.298 6.480 1.00 31.13 N ATOM 568 CA GLY A 424 4.126 3.649 5.433 1.00 71.31 C ATOM 569 C GLY A 424 2.763 4.009 6.026 1.00 2.32 C ATOM 570 O GLY A 424 2.541 5.147 6.434 1.00 40.44 O ATOM 0 H GLY A 424 5.706 4.050 6.752 1.00 31.13 H new ATOM 0 HA2 GLY A 424 4.510 4.491 4.857 1.00 71.31 H new ATOM 0 HA3 GLY A 424 4.017 2.814 4.741 1.00 71.31 H new ATOM 574 N ALA A 425 1.885 3.017 6.055 1.00 0.14 N ATOM 575 CA ALA A 425 0.549 3.214 6.591 1.00 74.00 C ATOM 576 C ALA A 425 -0.361 2.082 6.110 1.00 41.01 C ATOM 577 O ALA A 425 0.102 1.135 5.477 1.00 31.20 O ATOM 578 CB ALA A 425 0.033 4.594 6.179 1.00 33.35 C ATOM 0 H ALA A 425 2.073 2.074 5.716 1.00 0.14 H new ATOM 0 HA ALA A 425 0.563 3.184 7.680 1.00 74.00 H new ATOM 0 HB1 ALA A 425 -0.969 4.743 6.581 1.00 33.35 H new ATOM 0 HB2 ALA A 425 0.699 5.363 6.571 1.00 33.35 H new ATOM 0 HB3 ALA A 425 0.002 4.661 5.092 1.00 33.35 H new ATOM 584 N THR A 426 -1.640 2.219 6.427 1.00 52.24 N ATOM 585 CA THR A 426 -2.620 1.221 6.036 1.00 34.03 C ATOM 586 C THR A 426 -3.998 1.862 5.867 1.00 51.05 C ATOM 587 O THR A 426 -4.348 2.791 6.594 1.00 75.15 O ATOM 588 CB THR A 426 -2.595 0.100 7.077 1.00 41.34 C ATOM 589 OG1 THR A 426 -3.309 0.640 8.185 1.00 64.04 O ATOM 590 CG2 THR A 426 -1.190 -0.157 7.627 1.00 45.50 C ATOM 0 H THR A 426 -2.020 3.007 6.951 1.00 52.24 H new ATOM 0 HA THR A 426 -2.377 0.789 5.065 1.00 34.03 H new ATOM 0 HB THR A 426 -2.984 -0.817 6.633 1.00 41.34 H new ATOM 0 HG1 THR A 426 -3.343 -0.022 8.907 1.00 64.04 H new ATOM 0 HG21 THR A 426 -1.228 -0.961 8.362 1.00 45.50 H new ATOM 0 HG22 THR A 426 -0.526 -0.442 6.811 1.00 45.50 H new ATOM 0 HG23 THR A 426 -0.813 0.749 8.101 1.00 45.50 H new ATOM 598 N PHE A 427 -4.744 1.343 4.903 1.00 30.02 N ATOM 599 CA PHE A 427 -6.076 1.853 4.629 1.00 62.15 C ATOM 600 C PHE A 427 -7.149 0.870 5.101 1.00 33.32 C ATOM 601 O PHE A 427 -6.856 -0.299 5.355 1.00 51.34 O ATOM 602 CB PHE A 427 -6.188 2.022 3.113 1.00 33.32 C ATOM 603 CG PHE A 427 -7.208 3.076 2.677 1.00 54.10 C ATOM 604 CD1 PHE A 427 -6.897 4.397 2.757 1.00 32.32 C ATOM 605 CD2 PHE A 427 -8.426 2.691 2.210 1.00 20.33 C ATOM 606 CE1 PHE A 427 -7.843 5.375 2.352 1.00 55.31 C ATOM 607 CE2 PHE A 427 -9.373 3.669 1.806 1.00 51.20 C ATOM 608 CZ PHE A 427 -9.062 4.991 1.885 1.00 31.12 C ATOM 0 H PHE A 427 -4.450 0.573 4.301 1.00 30.02 H new ATOM 0 HA PHE A 427 -6.228 2.795 5.156 1.00 62.15 H new ATOM 0 HB2 PHE A 427 -5.210 2.292 2.715 1.00 33.32 H new ATOM 0 HB3 PHE A 427 -6.459 1.064 2.670 1.00 33.32 H new ATOM 0 HD1 PHE A 427 -5.930 4.702 3.129 1.00 32.32 H new ATOM 0 HD2 PHE A 427 -8.673 1.642 2.146 1.00 20.33 H new ATOM 0 HE1 PHE A 427 -7.595 6.424 2.415 1.00 55.31 H new ATOM 0 HE2 PHE A 427 -10.340 3.363 1.436 1.00 51.20 H new ATOM 0 HZ PHE A 427 -9.782 5.735 1.577 1.00 31.12 H new ATOM 823 N GLN A 443 -6.882 6.795 -3.126 1.00 73.25 N ATOM 824 CA GLN A 443 -6.012 7.304 -4.173 1.00 15.12 C ATOM 825 C GLN A 443 -5.087 8.388 -3.616 1.00 15.10 C ATOM 826 O GLN A 443 -4.130 8.790 -4.275 1.00 61.22 O ATOM 827 CB GLN A 443 -6.829 7.835 -5.353 1.00 21.15 C ATOM 828 CG GLN A 443 -7.598 9.097 -4.964 1.00 51.12 C ATOM 829 CD GLN A 443 -7.784 10.021 -6.170 1.00 23.40 C ATOM 830 OE1 GLN A 443 -8.333 9.429 -7.226 1.00 63.25 O flip ATOM 831 NE2 GLN A 443 -7.450 11.194 -6.144 1.00 2.53 N flip ATOM 0 HA GLN A 443 -5.397 6.482 -4.538 1.00 15.12 H new ATOM 0 HB2 GLN A 443 -6.166 8.053 -6.190 1.00 21.15 H new ATOM 0 HB3 GLN A 443 -7.527 7.069 -5.690 1.00 21.15 H new ATOM 0 HG2 GLN A 443 -8.572 8.823 -4.558 1.00 51.12 H new ATOM 0 HG3 GLN A 443 -7.061 9.625 -4.176 1.00 51.12 H new ATOM 0 HE21 GLN A 443 -7.033 11.587 -5.300 1.00 2.53 H new ATOM 0 HE22 GLN A 443 -7.587 11.782 -6.966 1.00 2.53 H new ATOM 838 N ASP A 444 -5.404 8.827 -2.408 1.00 74.13 N ATOM 839 CA ASP A 444 -4.613 9.856 -1.754 1.00 61.34 C ATOM 840 C ASP A 444 -3.195 9.330 -1.520 1.00 41.41 C ATOM 841 O ASP A 444 -2.262 10.112 -1.335 1.00 1.35 O ATOM 842 CB ASP A 444 -5.209 10.230 -0.396 1.00 12.14 C ATOM 843 CG ASP A 444 -4.590 11.462 0.265 1.00 62.44 C ATOM 844 OD1 ASP A 444 -4.457 11.529 1.496 1.00 72.25 O ATOM 845 OD2 ASP A 444 -4.231 12.396 -0.551 1.00 52.12 O ATOM 0 H ASP A 444 -6.198 8.489 -1.864 1.00 74.13 H new ATOM 0 HA ASP A 444 -4.605 10.736 -2.398 1.00 61.34 H new ATOM 0 HB2 ASP A 444 -6.278 10.402 -0.520 1.00 12.14 H new ATOM 0 HB3 ASP A 444 -5.099 9.381 0.278 1.00 12.14 H new ATOM 850 N ALA A 445 -3.078 8.011 -1.534 1.00 61.34 N ATOM 851 CA ALA A 445 -1.790 7.372 -1.325 1.00 73.21 C ATOM 852 C ALA A 445 -1.073 7.226 -2.670 1.00 40.22 C ATOM 853 O ALA A 445 0.156 7.234 -2.727 1.00 43.42 O ATOM 854 CB ALA A 445 -1.994 6.027 -0.625 1.00 0.14 C ATOM 0 H ALA A 445 -3.854 7.367 -1.687 1.00 61.34 H new ATOM 0 HA ALA A 445 -1.159 7.983 -0.679 1.00 73.21 H new ATOM 0 HB1 ALA A 445 -1.027 5.548 -0.468 1.00 0.14 H new ATOM 0 HB2 ALA A 445 -2.479 6.188 0.338 1.00 0.14 H new ATOM 0 HB3 ALA A 445 -2.621 5.386 -1.245 1.00 0.14 H new ATOM 860 N ILE A 446 -1.872 7.096 -3.718 1.00 42.35 N ATOM 861 CA ILE A 446 -1.331 6.949 -5.059 1.00 65.32 C ATOM 862 C ILE A 446 -0.501 8.185 -5.407 1.00 74.12 C ATOM 863 O ILE A 446 0.371 8.129 -6.273 1.00 1.52 O ATOM 864 CB ILE A 446 -2.450 6.657 -6.059 1.00 33.43 C ATOM 865 CG1 ILE A 446 -2.834 5.176 -6.036 1.00 42.21 C ATOM 866 CG2 ILE A 446 -2.064 7.126 -7.464 1.00 14.54 C ATOM 867 CD1 ILE A 446 -3.593 4.787 -7.306 1.00 24.03 C ATOM 0 H ILE A 446 -2.891 7.089 -3.666 1.00 42.35 H new ATOM 0 HA ILE A 446 -0.661 6.091 -5.108 1.00 65.32 H new ATOM 0 HB ILE A 446 -3.332 7.223 -5.760 1.00 33.43 H new ATOM 0 HG12 ILE A 446 -1.936 4.565 -5.943 1.00 42.21 H new ATOM 0 HG13 ILE A 446 -3.451 4.970 -5.162 1.00 42.21 H new ATOM 0 HG21 ILE A 446 -2.877 6.907 -8.157 1.00 14.54 H new ATOM 0 HG22 ILE A 446 -1.878 8.200 -7.451 1.00 14.54 H new ATOM 0 HG23 ILE A 446 -1.162 6.606 -7.786 1.00 14.54 H new ATOM 0 HD11 ILE A 446 -3.854 3.730 -7.264 1.00 24.03 H new ATOM 0 HD12 ILE A 446 -4.503 5.383 -7.383 1.00 24.03 H new ATOM 0 HD13 ILE A 446 -2.964 4.971 -8.177 1.00 24.03 H new ATOM 878 N ASP A 447 -0.801 9.275 -4.715 1.00 61.42 N ATOM 879 CA ASP A 447 -0.092 10.524 -4.940 1.00 1.22 C ATOM 880 C ASP A 447 0.904 10.753 -3.802 1.00 32.24 C ATOM 881 O ASP A 447 2.099 10.913 -4.042 1.00 44.33 O ATOM 882 CB ASP A 447 -1.060 11.707 -4.966 1.00 52.52 C ATOM 883 CG ASP A 447 -2.115 11.706 -3.856 1.00 75.12 C ATOM 884 OD1 ASP A 447 -1.849 12.134 -2.723 1.00 61.05 O ATOM 885 OD2 ASP A 447 -3.265 11.235 -4.197 1.00 52.03 O ATOM 0 H ASP A 447 -1.525 9.319 -3.998 1.00 61.42 H new ATOM 0 HA ASP A 447 0.419 10.454 -5.900 1.00 1.22 H new ATOM 0 HB2 ASP A 447 -0.484 12.630 -4.898 1.00 52.52 H new ATOM 0 HB3 ASP A 447 -1.569 11.719 -5.930 1.00 52.52 H new ATOM 890 N HIS A 448 0.375 10.760 -2.587 1.00 73.12 N ATOM 891 CA HIS A 448 1.204 10.967 -1.412 1.00 54.50 C ATOM 892 C HIS A 448 2.172 9.794 -1.253 1.00 3.04 C ATOM 893 O HIS A 448 3.385 9.988 -1.188 1.00 1.03 O ATOM 894 CB HIS A 448 0.338 11.193 -0.170 1.00 51.24 C ATOM 895 CG HIS A 448 -0.497 12.451 -0.225 1.00 25.12 C ATOM 896 ND1 HIS A 448 -0.255 13.472 -1.127 1.00 20.01 N ATOM 897 CD2 HIS A 448 -1.572 12.839 0.519 1.00 42.32 C ATOM 898 CE1 HIS A 448 -1.151 14.428 -0.924 1.00 73.05 C ATOM 899 NE2 HIS A 448 -1.966 14.034 0.095 1.00 32.00 N ATOM 0 H HIS A 448 -0.617 10.626 -2.391 1.00 73.12 H new ATOM 0 HA HIS A 448 1.801 11.870 -1.538 1.00 54.50 H new ATOM 0 HB2 HIS A 448 -0.323 10.336 -0.039 1.00 51.24 H new ATOM 0 HB3 HIS A 448 0.983 11.235 0.708 1.00 51.24 H new ATOM 0 HD2 HIS A 448 -2.026 12.271 1.317 1.00 42.32 H new ATOM 0 HE1 HIS A 448 -1.223 15.357 -1.471 1.00 73.05 H new ATOM 0 HE2 HIS A 448 -2.749 14.569 0.470 1.00 32.00 H new ATOM 906 N SER A 449 1.600 8.600 -1.195 1.00 12.32 N ATOM 907 CA SER A 449 2.397 7.394 -1.046 1.00 4.14 C ATOM 908 C SER A 449 3.039 7.021 -2.384 1.00 54.44 C ATOM 909 O SER A 449 2.590 7.469 -3.438 1.00 72.32 O ATOM 910 CB SER A 449 1.548 6.233 -0.524 1.00 70.10 C ATOM 911 OG SER A 449 1.175 5.334 -1.564 1.00 74.41 O ATOM 0 H SER A 449 0.594 8.442 -1.249 1.00 12.32 H new ATOM 0 HA SER A 449 3.182 7.592 -0.316 1.00 4.14 H new ATOM 0 HB2 SER A 449 2.105 5.692 0.240 1.00 70.10 H new ATOM 0 HB3 SER A 449 0.651 6.626 -0.046 1.00 70.10 H new ATOM 0 HG SER A 449 0.826 5.842 -2.326 1.00 74.41 H new ATOM 916 N ALA A 450 4.080 6.206 -2.298 1.00 14.42 N ATOM 917 CA ALA A 450 4.789 5.769 -3.489 1.00 3.53 C ATOM 918 C ALA A 450 3.945 4.724 -4.224 1.00 35.12 C ATOM 919 O ALA A 450 3.306 5.031 -5.228 1.00 70.13 O ATOM 920 CB ALA A 450 6.166 5.234 -3.096 1.00 61.14 C ATOM 0 H ALA A 450 4.450 5.837 -1.422 1.00 14.42 H new ATOM 0 HA ALA A 450 4.947 6.605 -4.170 1.00 3.53 H new ATOM 0 HB1 ALA A 450 6.698 4.906 -3.989 1.00 61.14 H new ATOM 0 HB2 ALA A 450 6.736 6.022 -2.603 1.00 61.14 H new ATOM 0 HB3 ALA A 450 6.048 4.392 -2.414 1.00 61.14 H new ATOM 926 N PHE A 451 3.972 3.510 -3.694 1.00 24.44 N ATOM 927 CA PHE A 451 3.219 2.417 -4.287 1.00 64.13 C ATOM 928 C PHE A 451 2.174 1.877 -3.307 1.00 33.20 C ATOM 929 O PHE A 451 2.495 1.566 -2.162 1.00 24.22 O ATOM 930 CB PHE A 451 4.221 1.307 -4.609 1.00 11.52 C ATOM 931 CG PHE A 451 5.538 1.811 -5.199 1.00 62.53 C ATOM 932 CD1 PHE A 451 6.455 2.418 -4.398 1.00 12.01 C ATOM 933 CD2 PHE A 451 5.796 1.651 -6.525 1.00 53.13 C ATOM 934 CE1 PHE A 451 7.678 2.886 -4.945 1.00 22.35 C ATOM 935 CE2 PHE A 451 7.019 2.119 -7.073 1.00 21.20 C ATOM 936 CZ PHE A 451 7.936 2.726 -6.271 1.00 13.34 C ATOM 0 H PHE A 451 4.503 3.259 -2.860 1.00 24.44 H new ATOM 0 HA PHE A 451 2.697 2.765 -5.178 1.00 64.13 H new ATOM 0 HB2 PHE A 451 4.433 0.748 -3.698 1.00 11.52 H new ATOM 0 HB3 PHE A 451 3.763 0.610 -5.311 1.00 11.52 H new ATOM 0 HD1 PHE A 451 6.252 2.544 -3.345 1.00 12.01 H new ATOM 0 HD2 PHE A 451 5.070 1.167 -7.161 1.00 53.13 H new ATOM 0 HE1 PHE A 451 8.404 3.369 -4.308 1.00 22.35 H new ATOM 0 HE2 PHE A 451 7.222 1.993 -8.126 1.00 21.20 H new ATOM 0 HZ PHE A 451 8.868 3.080 -6.687 1.00 13.34 H new ATOM 945 N ILE A 452 0.946 1.782 -3.796 1.00 45.21 N ATOM 946 CA ILE A 452 -0.147 1.285 -2.977 1.00 23.30 C ATOM 947 C ILE A 452 0.033 -0.218 -2.752 1.00 21.01 C ATOM 948 O ILE A 452 0.351 -0.955 -3.683 1.00 40.13 O ATOM 949 CB ILE A 452 -1.493 1.656 -3.600 1.00 10.43 C ATOM 950 CG1 ILE A 452 -1.498 3.112 -4.070 1.00 41.01 C ATOM 951 CG2 ILE A 452 -2.644 1.362 -2.636 1.00 11.15 C ATOM 952 CD1 ILE A 452 -1.044 4.051 -2.951 1.00 20.34 C ATOM 0 H ILE A 452 0.684 2.040 -4.747 1.00 45.21 H new ATOM 0 HA ILE A 452 -0.134 1.759 -1.995 1.00 23.30 H new ATOM 0 HB ILE A 452 -1.644 1.032 -4.481 1.00 10.43 H new ATOM 0 HG12 ILE A 452 -0.839 3.222 -4.931 1.00 41.01 H new ATOM 0 HG13 ILE A 452 -2.500 3.389 -4.398 1.00 41.01 H new ATOM 0 HG21 ILE A 452 -3.590 1.635 -3.104 1.00 11.15 H new ATOM 0 HG22 ILE A 452 -2.653 0.299 -2.393 1.00 11.15 H new ATOM 0 HG23 ILE A 452 -2.511 1.942 -1.723 1.00 11.15 H new ATOM 0 HD11 ILE A 452 -1.057 5.080 -3.312 1.00 20.34 H new ATOM 0 HD12 ILE A 452 -1.719 3.956 -2.100 1.00 20.34 H new ATOM 0 HD13 ILE A 452 -0.032 3.787 -2.643 1.00 20.34 H new ATOM 963 N ILE A 453 -0.178 -0.626 -1.509 1.00 23.03 N ATOM 964 CA ILE A 453 -0.043 -2.027 -1.149 1.00 63.22 C ATOM 965 C ILE A 453 -1.423 -2.602 -0.826 1.00 15.21 C ATOM 966 O ILE A 453 -2.107 -2.116 0.073 1.00 22.01 O ATOM 967 CB ILE A 453 0.973 -2.194 -0.016 1.00 53.25 C ATOM 968 CG1 ILE A 453 2.401 -2.258 -0.565 1.00 1.21 C ATOM 969 CG2 ILE A 453 0.636 -3.411 0.847 1.00 4.24 C ATOM 970 CD1 ILE A 453 3.415 -1.821 0.495 1.00 11.45 C ATOM 0 H ILE A 453 -0.441 -0.011 -0.739 1.00 23.03 H new ATOM 0 HA ILE A 453 0.353 -2.599 -1.988 1.00 63.22 H new ATOM 0 HB ILE A 453 0.914 -1.316 0.628 1.00 53.25 H new ATOM 0 HG12 ILE A 453 2.624 -3.274 -0.890 1.00 1.21 H new ATOM 0 HG13 ILE A 453 2.487 -1.616 -1.442 1.00 1.21 H new ATOM 0 HG21 ILE A 453 1.373 -3.507 1.644 1.00 4.24 H new ATOM 0 HG22 ILE A 453 -0.355 -3.285 1.282 1.00 4.24 H new ATOM 0 HG23 ILE A 453 0.650 -4.310 0.230 1.00 4.24 H new ATOM 0 HD11 ILE A 453 4.421 -1.875 0.080 1.00 11.45 H new ATOM 0 HD12 ILE A 453 3.203 -0.796 0.800 1.00 11.45 H new ATOM 0 HD13 ILE A 453 3.343 -2.480 1.361 1.00 11.45 H new ATOM 981 N LEU A 454 -1.791 -3.628 -1.579 1.00 5.23 N ATOM 982 CA LEU A 454 -3.079 -4.275 -1.384 1.00 4.34 C ATOM 983 C LEU A 454 -2.880 -5.568 -0.591 1.00 43.31 C ATOM 984 O LEU A 454 -2.372 -6.554 -1.120 1.00 75.14 O ATOM 985 CB LEU A 454 -3.785 -4.478 -2.727 1.00 22.42 C ATOM 986 CG LEU A 454 -3.587 -3.371 -3.763 1.00 72.34 C ATOM 987 CD1 LEU A 454 -4.543 -3.549 -4.944 1.00 31.24 C ATOM 988 CD2 LEU A 454 -3.720 -1.989 -3.120 1.00 11.23 C ATOM 0 H LEU A 454 -1.221 -4.028 -2.325 1.00 5.23 H new ATOM 0 HA LEU A 454 -3.741 -3.639 -0.796 1.00 4.34 H new ATOM 0 HB2 LEU A 454 -3.439 -5.418 -3.158 1.00 22.42 H new ATOM 0 HB3 LEU A 454 -4.853 -4.587 -2.540 1.00 22.42 H new ATOM 0 HG LEU A 454 -2.573 -3.447 -4.156 1.00 72.34 H new ATOM 0 HD11 LEU A 454 -4.382 -2.749 -5.666 1.00 31.24 H new ATOM 0 HD12 LEU A 454 -4.357 -4.511 -5.421 1.00 31.24 H new ATOM 0 HD13 LEU A 454 -5.572 -3.514 -4.587 1.00 31.24 H new ATOM 0 HD21 LEU A 454 -3.575 -1.219 -3.878 1.00 11.23 H new ATOM 0 HD22 LEU A 454 -4.713 -1.885 -2.683 1.00 11.23 H new ATOM 0 HD23 LEU A 454 -2.967 -1.877 -2.340 1.00 11.23 H new ATOM 999 N LEU A 455 -3.293 -5.521 0.668 1.00 71.35 N ATOM 1000 CA LEU A 455 -3.168 -6.677 1.540 1.00 61.15 C ATOM 1001 C LEU A 455 -4.209 -7.726 1.144 1.00 71.00 C ATOM 1002 O LEU A 455 -5.252 -7.842 1.784 1.00 42.51 O ATOM 1003 CB LEU A 455 -3.250 -6.252 3.008 1.00 71.14 C ATOM 1004 CG LEU A 455 -2.477 -7.122 4.002 1.00 71.33 C ATOM 1005 CD1 LEU A 455 -1.072 -7.431 3.484 1.00 35.33 C ATOM 1006 CD2 LEU A 455 -2.446 -6.473 5.388 1.00 71.32 C ATOM 0 H LEU A 455 -3.714 -4.701 1.104 1.00 71.35 H new ATOM 0 HA LEU A 455 -2.188 -7.140 1.420 1.00 61.15 H new ATOM 0 HB2 LEU A 455 -2.884 -5.228 3.090 1.00 71.14 H new ATOM 0 HB3 LEU A 455 -4.299 -6.241 3.304 1.00 71.14 H new ATOM 0 HG LEU A 455 -3.000 -8.073 4.102 1.00 71.33 H new ATOM 0 HD11 LEU A 455 -0.545 -8.050 4.210 1.00 35.33 H new ATOM 0 HD12 LEU A 455 -1.143 -7.964 2.536 1.00 35.33 H new ATOM 0 HD13 LEU A 455 -0.525 -6.499 3.337 1.00 35.33 H new ATOM 0 HD21 LEU A 455 -1.891 -7.111 6.076 1.00 71.32 H new ATOM 0 HD22 LEU A 455 -1.960 -5.500 5.323 1.00 71.32 H new ATOM 0 HD23 LEU A 455 -3.465 -6.346 5.753 1.00 71.32 H new ATOM 1017 N LEU A 456 -3.888 -8.462 0.090 1.00 3.32 N ATOM 1018 CA LEU A 456 -4.784 -9.497 -0.399 1.00 41.32 C ATOM 1019 C LEU A 456 -4.853 -10.631 0.626 1.00 4.22 C ATOM 1020 O LEU A 456 -4.042 -11.556 0.589 1.00 55.05 O ATOM 1021 CB LEU A 456 -4.361 -9.954 -1.796 1.00 21.35 C ATOM 1022 CG LEU A 456 -3.964 -8.847 -2.773 1.00 55.25 C ATOM 1023 CD1 LEU A 456 -3.957 -9.363 -4.214 1.00 5.12 C ATOM 1024 CD2 LEU A 456 -4.869 -7.622 -2.610 1.00 23.43 C ATOM 0 H LEU A 456 -3.021 -8.363 -0.439 1.00 3.32 H new ATOM 0 HA LEU A 456 -5.795 -9.106 -0.510 1.00 41.32 H new ATOM 0 HB2 LEU A 456 -3.519 -10.639 -1.693 1.00 21.35 H new ATOM 0 HB3 LEU A 456 -5.182 -10.521 -2.235 1.00 21.35 H new ATOM 0 HG LEU A 456 -2.947 -8.533 -2.537 1.00 55.25 H new ATOM 0 HD11 LEU A 456 -3.671 -8.556 -4.888 1.00 5.12 H new ATOM 0 HD12 LEU A 456 -3.242 -10.181 -4.304 1.00 5.12 H new ATOM 0 HD13 LEU A 456 -4.952 -9.720 -4.477 1.00 5.12 H new ATOM 0 HD21 LEU A 456 -4.566 -6.849 -3.316 1.00 23.43 H new ATOM 0 HD22 LEU A 456 -5.903 -7.905 -2.804 1.00 23.43 H new ATOM 0 HD23 LEU A 456 -4.783 -7.239 -1.593 1.00 23.43 H new ATOM 1035 N THR A 457 -5.828 -10.523 1.515 1.00 44.34 N ATOM 1036 CA THR A 457 -6.014 -11.529 2.547 1.00 62.31 C ATOM 1037 C THR A 457 -7.457 -12.038 2.543 1.00 42.34 C ATOM 1038 O THR A 457 -8.356 -11.359 2.051 1.00 54.43 O ATOM 1039 CB THR A 457 -5.589 -10.918 3.885 1.00 60.03 C ATOM 1040 OG1 THR A 457 -6.655 -10.034 4.217 1.00 41.43 O ATOM 1041 CG2 THR A 457 -4.373 -9.999 3.748 1.00 43.13 C ATOM 0 H THR A 457 -6.498 -9.754 1.543 1.00 44.34 H new ATOM 0 HA THR A 457 -5.393 -12.405 2.361 1.00 62.31 H new ATOM 0 HB THR A 457 -5.364 -11.715 4.593 1.00 60.03 H new ATOM 0 HG1 THR A 457 -6.463 -9.596 5.072 1.00 41.43 H new ATOM 0 HG21 THR A 457 -4.113 -9.592 4.725 1.00 43.13 H new ATOM 0 HG22 THR A 457 -3.530 -10.567 3.355 1.00 43.13 H new ATOM 0 HG23 THR A 457 -4.609 -9.182 3.066 1.00 43.13 H new ATOM 1049 N SER A 458 -7.633 -13.227 3.101 1.00 70.31 N ATOM 1050 CA SER A 458 -8.950 -13.834 3.168 1.00 52.43 C ATOM 1051 C SER A 458 -9.873 -12.988 4.049 1.00 63.50 C ATOM 1052 O SER A 458 -11.085 -13.196 4.065 1.00 70.35 O ATOM 1053 CB SER A 458 -8.871 -15.265 3.701 1.00 24.13 C ATOM 1054 OG SER A 458 -7.803 -15.430 4.630 1.00 30.32 O ATOM 0 H SER A 458 -6.885 -13.786 3.511 1.00 70.31 H new ATOM 0 HA SER A 458 -9.359 -13.874 2.159 1.00 52.43 H new ATOM 0 HB2 SER A 458 -9.814 -15.525 4.182 1.00 24.13 H new ATOM 0 HB3 SER A 458 -8.737 -15.955 2.868 1.00 24.13 H new ATOM 0 HG SER A 458 -7.147 -16.061 4.266 1.00 30.32 H new ATOM 1059 N ASN A 459 -9.262 -12.053 4.762 1.00 21.24 N ATOM 1060 CA ASN A 459 -10.013 -11.176 5.644 1.00 32.41 C ATOM 1061 C ASN A 459 -10.341 -9.877 4.905 1.00 13.43 C ATOM 1062 O ASN A 459 -11.145 -9.076 5.379 1.00 2.44 O ATOM 1063 CB ASN A 459 -9.198 -10.818 6.889 1.00 35.44 C ATOM 1064 CG ASN A 459 -9.184 -11.977 7.887 1.00 31.41 C ATOM 1065 OD1 ASN A 459 -8.278 -12.795 7.915 1.00 60.24 O ATOM 1066 ND2 ASN A 459 -10.234 -12.004 8.701 1.00 64.24 N ATOM 0 H ASN A 459 -8.256 -11.884 4.747 1.00 21.24 H new ATOM 0 HA ASN A 459 -10.922 -11.698 5.945 1.00 32.41 H new ATOM 0 HB2 ASN A 459 -8.177 -10.570 6.600 1.00 35.44 H new ATOM 0 HB3 ASN A 459 -9.620 -9.931 7.362 1.00 35.44 H new ATOM 0 HD21 ASN A 459 -10.317 -12.740 9.402 1.00 64.24 H new ATOM 0 HD22 ASN A 459 -10.957 -11.289 8.625 1.00 64.24 H new ATOM 1072 N PHE A 460 -9.704 -9.709 3.756 1.00 71.23 N ATOM 1073 CA PHE A 460 -9.918 -8.521 2.948 1.00 0.45 C ATOM 1074 C PHE A 460 -10.346 -8.896 1.527 1.00 44.13 C ATOM 1075 O PHE A 460 -10.319 -10.068 1.155 1.00 25.43 O ATOM 1076 CB PHE A 460 -8.584 -7.776 2.885 1.00 11.24 C ATOM 1077 CG PHE A 460 -8.546 -6.656 1.843 1.00 42.34 C ATOM 1078 CD1 PHE A 460 -9.224 -5.497 2.065 1.00 33.14 C ATOM 1079 CD2 PHE A 460 -7.833 -6.818 0.697 1.00 12.03 C ATOM 1080 CE1 PHE A 460 -9.189 -4.459 1.097 1.00 3.11 C ATOM 1081 CE2 PHE A 460 -7.798 -5.778 -0.271 1.00 44.30 C ATOM 1082 CZ PHE A 460 -8.477 -4.621 -0.049 1.00 71.12 C ATOM 0 H PHE A 460 -9.039 -10.376 3.365 1.00 71.23 H new ATOM 0 HA PHE A 460 -10.705 -7.909 3.388 1.00 0.45 H new ATOM 0 HB2 PHE A 460 -8.369 -7.353 3.866 1.00 11.24 H new ATOM 0 HB3 PHE A 460 -7.791 -8.490 2.665 1.00 11.24 H new ATOM 0 HD1 PHE A 460 -9.788 -5.367 2.977 1.00 33.14 H new ATOM 0 HD2 PHE A 460 -7.293 -7.737 0.522 1.00 12.03 H new ATOM 0 HE1 PHE A 460 -9.729 -3.540 1.272 1.00 3.11 H new ATOM 0 HE2 PHE A 460 -7.233 -5.907 -1.182 1.00 44.30 H new ATOM 0 HZ PHE A 460 -8.450 -3.830 -0.784 1.00 71.12 H new ATOM 1091 N ASP A 461 -10.734 -7.878 0.773 1.00 15.12 N ATOM 1092 CA ASP A 461 -11.169 -8.086 -0.598 1.00 54.32 C ATOM 1093 C ASP A 461 -10.262 -7.291 -1.541 1.00 54.44 C ATOM 1094 O ASP A 461 -10.089 -6.086 -1.371 1.00 74.25 O ATOM 1095 CB ASP A 461 -12.605 -7.599 -0.801 1.00 33.23 C ATOM 1096 CG ASP A 461 -12.877 -6.172 -0.321 1.00 22.05 C ATOM 1097 OD1 ASP A 461 -11.967 -5.468 0.141 1.00 11.22 O ATOM 1098 OD2 ASP A 461 -14.102 -5.782 -0.438 1.00 33.22 O ATOM 0 H ASP A 461 -10.756 -6.907 1.085 1.00 15.12 H new ATOM 0 HA ASP A 461 -11.118 -9.154 -0.810 1.00 54.32 H new ATOM 0 HB2 ASP A 461 -12.848 -7.662 -1.862 1.00 33.23 H new ATOM 0 HB3 ASP A 461 -13.280 -8.277 -0.279 1.00 33.23 H new ATOM 1103 N CYS A 462 -9.709 -7.999 -2.515 1.00 63.53 N ATOM 1104 CA CYS A 462 -8.826 -7.375 -3.485 1.00 61.52 C ATOM 1105 C CYS A 462 -9.686 -6.733 -4.575 1.00 43.23 C ATOM 1106 O CYS A 462 -9.408 -5.617 -5.012 1.00 20.25 O ATOM 1107 CB CYS A 462 -7.824 -8.377 -4.064 1.00 44.22 C ATOM 1108 SG CYS A 462 -8.713 -9.728 -4.918 1.00 55.23 S ATOM 0 H CYS A 462 -9.856 -8.999 -2.653 1.00 63.53 H new ATOM 0 HA CYS A 462 -8.229 -6.606 -2.995 1.00 61.52 H new ATOM 0 HB2 CYS A 462 -7.155 -7.873 -4.761 1.00 44.22 H new ATOM 0 HB3 CYS A 462 -7.204 -8.786 -3.266 1.00 44.22 H new ATOM 0 HG CYS A 462 -8.789 -10.762 -4.133 1.00 55.23 H new ATOM 1113 N ARG A 463 -10.712 -7.465 -4.982 1.00 42.41 N ATOM 1114 CA ARG A 463 -11.614 -6.981 -6.012 1.00 52.43 C ATOM 1115 C ARG A 463 -11.871 -5.483 -5.832 1.00 0.52 C ATOM 1116 O ARG A 463 -12.114 -4.769 -6.804 1.00 24.30 O ATOM 1117 CB ARG A 463 -12.949 -7.729 -5.972 1.00 32.10 C ATOM 1118 CG ARG A 463 -12.900 -8.981 -6.848 1.00 5.44 C ATOM 1119 CD ARG A 463 -14.204 -9.777 -6.739 1.00 21.21 C ATOM 1120 NE ARG A 463 -15.206 -9.237 -7.685 1.00 24.10 N ATOM 1121 CZ ARG A 463 -16.541 -9.360 -7.524 1.00 73.03 C ATOM 1122 NH1 ARG A 463 -17.046 -10.006 -6.451 1.00 75.32 N ATOM 1123 NH2 ARG A 463 -17.345 -8.838 -8.432 1.00 43.34 N ATOM 0 H ARG A 463 -10.939 -8.390 -4.617 1.00 42.41 H new ATOM 0 HA ARG A 463 -11.140 -7.158 -6.977 1.00 52.43 H new ATOM 0 HB2 ARG A 463 -13.183 -8.008 -4.945 1.00 32.10 H new ATOM 0 HB3 ARG A 463 -13.749 -7.072 -6.314 1.00 32.10 H new ATOM 0 HG2 ARG A 463 -12.729 -8.697 -7.886 1.00 5.44 H new ATOM 0 HG3 ARG A 463 -12.061 -9.608 -6.547 1.00 5.44 H new ATOM 0 HD2 ARG A 463 -14.017 -10.829 -6.955 1.00 21.21 H new ATOM 0 HD3 ARG A 463 -14.588 -9.724 -5.720 1.00 21.21 H new ATOM 0 HE ARG A 463 -14.867 -8.741 -8.510 1.00 24.10 H new ATOM 0 HH11 ARG A 463 -16.418 -10.406 -5.754 1.00 75.32 H new ATOM 0 HH12 ARG A 463 -18.056 -10.094 -6.337 1.00 75.32 H new ATOM 0 HH21 ARG A 463 -16.955 -8.351 -9.239 1.00 43.34 H new ATOM 0 HH22 ARG A 463 -18.356 -8.922 -8.326 1.00 43.34 H new ATOM 1133 N LEU A 464 -11.811 -5.051 -4.581 1.00 10.04 N ATOM 1134 CA LEU A 464 -12.034 -3.652 -4.260 1.00 70.03 C ATOM 1135 C LEU A 464 -10.742 -2.867 -4.495 1.00 55.05 C ATOM 1136 O LEU A 464 -10.733 -1.885 -5.236 1.00 12.02 O ATOM 1137 CB LEU A 464 -12.592 -3.508 -2.843 1.00 43.23 C ATOM 1138 CG LEU A 464 -12.843 -2.078 -2.361 1.00 33.44 C ATOM 1139 CD1 LEU A 464 -11.600 -1.505 -1.677 1.00 52.23 C ATOM 1140 CD2 LEU A 464 -13.325 -1.189 -3.510 1.00 10.22 C ATOM 0 H LEU A 464 -11.611 -5.646 -3.777 1.00 10.04 H new ATOM 0 HA LEU A 464 -12.791 -3.227 -4.919 1.00 70.03 H new ATOM 0 HB2 LEU A 464 -13.531 -4.059 -2.786 1.00 43.23 H new ATOM 0 HB3 LEU A 464 -11.899 -3.987 -2.151 1.00 43.23 H new ATOM 0 HG LEU A 464 -13.639 -2.103 -1.617 1.00 33.44 H new ATOM 0 HD11 LEU A 464 -11.805 -0.488 -1.344 1.00 52.23 H new ATOM 0 HD12 LEU A 464 -11.340 -2.123 -0.818 1.00 52.23 H new ATOM 0 HD13 LEU A 464 -10.769 -1.496 -2.382 1.00 52.23 H new ATOM 0 HD21 LEU A 464 -13.496 -0.178 -3.141 1.00 10.22 H new ATOM 0 HD22 LEU A 464 -12.568 -1.166 -4.294 1.00 10.22 H new ATOM 0 HD23 LEU A 464 -14.254 -1.590 -3.915 1.00 10.22 H new ATOM 1151 N SER A 465 -9.681 -3.330 -3.850 1.00 55.25 N ATOM 1152 CA SER A 465 -8.386 -2.683 -3.980 1.00 70.35 C ATOM 1153 C SER A 465 -8.075 -2.425 -5.454 1.00 14.24 C ATOM 1154 O SER A 465 -7.881 -1.281 -5.862 1.00 41.22 O ATOM 1155 CB SER A 465 -7.281 -3.529 -3.344 1.00 13.43 C ATOM 1156 OG SER A 465 -6.292 -2.726 -2.706 1.00 51.21 O ATOM 0 H SER A 465 -9.691 -4.145 -3.236 1.00 55.25 H new ATOM 0 HA SER A 465 -8.426 -1.730 -3.452 1.00 70.35 H new ATOM 0 HB2 SER A 465 -7.720 -4.210 -2.615 1.00 13.43 H new ATOM 0 HB3 SER A 465 -6.809 -4.144 -4.110 1.00 13.43 H new ATOM 0 HG SER A 465 -6.252 -2.952 -1.753 1.00 51.21 H new ATOM 1161 N LEU A 466 -8.036 -3.508 -6.216 1.00 71.20 N ATOM 1162 CA LEU A 466 -7.751 -3.414 -7.638 1.00 31.25 C ATOM 1163 C LEU A 466 -8.695 -2.393 -8.276 1.00 0.43 C ATOM 1164 O LEU A 466 -8.403 -1.854 -9.343 1.00 15.25 O ATOM 1165 CB LEU A 466 -7.809 -4.797 -8.289 1.00 73.32 C ATOM 1166 CG LEU A 466 -7.355 -4.872 -9.748 1.00 5.13 C ATOM 1167 CD1 LEU A 466 -8.458 -4.388 -10.691 1.00 1.35 C ATOM 1168 CD2 LEU A 466 -6.046 -4.105 -9.954 1.00 53.20 C ATOM 0 H LEU A 466 -8.197 -4.456 -5.875 1.00 71.20 H new ATOM 0 HA LEU A 466 -6.735 -3.054 -7.800 1.00 31.25 H new ATOM 0 HB2 LEU A 466 -7.193 -5.479 -7.702 1.00 73.32 H new ATOM 0 HB3 LEU A 466 -8.834 -5.162 -8.229 1.00 73.32 H new ATOM 0 HG LEU A 466 -7.159 -5.916 -9.992 1.00 5.13 H new ATOM 0 HD11 LEU A 466 -8.109 -4.452 -11.722 1.00 1.35 H new ATOM 0 HD12 LEU A 466 -9.342 -5.013 -10.568 1.00 1.35 H new ATOM 0 HD13 LEU A 466 -8.709 -3.354 -10.456 1.00 1.35 H new ATOM 0 HD21 LEU A 466 -5.745 -4.174 -10.999 1.00 53.20 H new ATOM 0 HD22 LEU A 466 -6.192 -3.058 -9.686 1.00 53.20 H new ATOM 0 HD23 LEU A 466 -5.269 -4.536 -9.323 1.00 53.20 H new ATOM 1179 N HIS A 467 -9.809 -2.160 -7.597 1.00 75.01 N ATOM 1180 CA HIS A 467 -10.798 -1.214 -8.085 1.00 62.33 C ATOM 1181 C HIS A 467 -10.515 0.172 -7.500 1.00 45.31 C ATOM 1182 O HIS A 467 -10.883 1.186 -8.091 1.00 23.30 O ATOM 1183 CB HIS A 467 -12.215 -1.706 -7.783 1.00 23.01 C ATOM 1184 CG HIS A 467 -13.249 -0.606 -7.729 1.00 21.25 C ATOM 1185 ND1 HIS A 467 -13.449 0.286 -8.768 1.00 63.22 N ATOM 1186 CD2 HIS A 467 -14.138 -0.267 -6.752 1.00 64.21 C ATOM 1187 CE1 HIS A 467 -14.416 1.122 -8.419 1.00 54.01 C ATOM 1188 NE2 HIS A 467 -14.842 0.778 -7.169 1.00 74.32 N ATOM 0 H HIS A 467 -10.048 -2.610 -6.713 1.00 75.01 H new ATOM 0 HA HIS A 467 -10.726 -1.134 -9.170 1.00 62.33 H new ATOM 0 HB2 HIS A 467 -12.508 -2.429 -8.545 1.00 23.01 H new ATOM 0 HB3 HIS A 467 -12.210 -2.233 -6.829 1.00 23.01 H new ATOM 0 HD2 HIS A 467 -14.250 -0.765 -5.800 1.00 64.21 H new ATOM 0 HE1 HIS A 467 -14.800 1.934 -9.019 1.00 54.01 H new ATOM 0 HE2 HIS A 467 -15.579 1.246 -6.642 1.00 74.32 H new ATOM 1195 N GLN A 468 -9.864 0.169 -6.345 1.00 50.41 N ATOM 1196 CA GLN A 468 -9.529 1.414 -5.673 1.00 74.33 C ATOM 1197 C GLN A 468 -8.201 1.959 -6.202 1.00 73.10 C ATOM 1198 O GLN A 468 -7.897 3.139 -6.029 1.00 74.10 O ATOM 1199 CB GLN A 468 -9.477 1.222 -4.158 1.00 21.00 C ATOM 1200 CG GLN A 468 -10.882 1.266 -3.552 1.00 63.31 C ATOM 1201 CD GLN A 468 -10.819 1.442 -2.033 1.00 12.30 C ATOM 1202 OE1 GLN A 468 -10.211 0.663 -1.316 1.00 74.32 O ATOM 1203 NE2 GLN A 468 -11.479 2.505 -1.583 1.00 30.25 N ATOM 0 H GLN A 468 -9.560 -0.674 -5.858 1.00 50.41 H new ATOM 0 HA GLN A 468 -10.311 2.143 -5.887 1.00 74.33 H new ATOM 0 HB2 GLN A 468 -9.006 0.267 -3.925 1.00 21.00 H new ATOM 0 HB3 GLN A 468 -8.859 2.000 -3.710 1.00 21.00 H new ATOM 0 HG2 GLN A 468 -11.447 2.087 -3.994 1.00 63.31 H new ATOM 0 HG3 GLN A 468 -11.415 0.346 -3.793 1.00 63.31 H new ATOM 0 HE21 GLN A 468 -11.967 3.117 -2.237 1.00 30.25 H new ATOM 0 HE22 GLN A 468 -11.497 2.709 -0.584 1.00 30.25 H new ATOM 1210 N VAL A 469 -7.444 1.075 -6.836 1.00 54.52 N ATOM 1211 CA VAL A 469 -6.156 1.454 -7.392 1.00 52.21 C ATOM 1212 C VAL A 469 -6.344 1.910 -8.841 1.00 2.30 C ATOM 1213 O VAL A 469 -5.862 2.974 -9.228 1.00 23.34 O ATOM 1214 CB VAL A 469 -5.166 0.297 -7.252 1.00 12.14 C ATOM 1215 CG1 VAL A 469 -5.223 -0.624 -8.474 1.00 65.11 C ATOM 1216 CG2 VAL A 469 -3.745 0.815 -7.023 1.00 33.43 C ATOM 0 H VAL A 469 -7.698 0.097 -6.977 1.00 54.52 H new ATOM 0 HA VAL A 469 -5.734 2.294 -6.840 1.00 52.21 H new ATOM 0 HB VAL A 469 -5.455 -0.286 -6.378 1.00 12.14 H new ATOM 0 HG11 VAL A 469 -4.509 -1.439 -8.349 1.00 65.11 H new ATOM 0 HG12 VAL A 469 -6.228 -1.034 -8.574 1.00 65.11 H new ATOM 0 HG13 VAL A 469 -4.972 -0.056 -9.370 1.00 65.11 H new ATOM 0 HG21 VAL A 469 -3.061 -0.028 -6.927 1.00 33.43 H new ATOM 0 HG22 VAL A 469 -3.442 1.433 -7.868 1.00 33.43 H new ATOM 0 HG23 VAL A 469 -3.717 1.410 -6.110 1.00 33.43 H new ATOM 1226 N ASN A 470 -7.045 1.083 -9.601 1.00 62.04 N ATOM 1227 CA ASN A 470 -7.302 1.387 -10.998 1.00 52.12 C ATOM 1228 C ASN A 470 -7.988 2.751 -11.101 1.00 1.33 C ATOM 1229 O ASN A 470 -7.363 3.737 -11.489 1.00 71.01 O ATOM 1230 CB ASN A 470 -8.228 0.344 -11.628 1.00 24.23 C ATOM 1231 CG ASN A 470 -7.422 -0.792 -12.262 1.00 13.14 C ATOM 1232 OD1 ASN A 470 -6.648 -1.450 -11.405 1.00 2.43 O flip ATOM 1233 ND2 ASN A 470 -7.499 -1.054 -13.451 1.00 23.40 N flip ATOM 0 H ASN A 470 -7.443 0.202 -9.276 1.00 62.04 H new ATOM 0 HA ASN A 470 -6.347 1.386 -11.524 1.00 52.12 H new ATOM 0 HB2 ASN A 470 -8.897 -0.060 -10.868 1.00 24.23 H new ATOM 0 HB3 ASN A 470 -8.854 0.817 -12.385 1.00 24.23 H new ATOM 0 HD21 ASN A 470 -8.114 -0.508 -14.055 1.00 23.40 H new ATOM 0 HD22 ASN A 470 -6.948 -1.819 -13.841 1.00 23.40 H new ATOM 1239 N GLN A 471 -9.265 2.764 -10.747 1.00 30.35 N ATOM 1240 CA GLN A 471 -10.042 3.990 -10.794 1.00 55.23 C ATOM 1241 C GLN A 471 -9.206 5.168 -10.292 1.00 62.21 C ATOM 1242 O GLN A 471 -9.186 6.230 -10.913 1.00 65.14 O ATOM 1243 CB GLN A 471 -11.335 3.851 -9.988 1.00 23.20 C ATOM 1244 CG GLN A 471 -12.225 2.749 -10.566 1.00 41.52 C ATOM 1245 CD GLN A 471 -13.242 3.327 -11.554 1.00 23.42 C ATOM 1246 OE1 GLN A 471 -13.288 2.966 -12.718 1.00 53.13 O ATOM 1247 NE2 GLN A 471 -14.050 4.241 -11.026 1.00 64.20 N ATOM 0 H GLN A 471 -9.781 1.944 -10.426 1.00 30.35 H new ATOM 0 HA GLN A 471 -10.318 4.182 -11.831 1.00 55.23 H new ATOM 0 HB2 GLN A 471 -11.097 3.624 -8.949 1.00 23.20 H new ATOM 0 HB3 GLN A 471 -11.874 4.798 -9.992 1.00 23.20 H new ATOM 0 HG2 GLN A 471 -11.608 2.004 -11.068 1.00 41.52 H new ATOM 0 HG3 GLN A 471 -12.748 2.238 -9.758 1.00 41.52 H new ATOM 0 HE21 GLN A 471 -13.957 4.497 -10.043 1.00 64.20 H new ATOM 0 HE22 GLN A 471 -14.763 4.686 -11.604 1.00 64.20 H new ATOM 1254 N ALA A 472 -8.537 4.942 -9.170 1.00 63.41 N ATOM 1255 CA ALA A 472 -7.702 5.972 -8.576 1.00 22.24 C ATOM 1256 C ALA A 472 -6.741 6.517 -9.636 1.00 52.53 C ATOM 1257 O ALA A 472 -6.683 7.724 -9.863 1.00 44.32 O ATOM 1258 CB ALA A 472 -6.966 5.396 -7.364 1.00 31.22 C ATOM 0 H ALA A 472 -8.557 4.061 -8.657 1.00 63.41 H new ATOM 0 HA ALA A 472 -8.311 6.804 -8.223 1.00 22.24 H new ATOM 0 HB1 ALA A 472 -6.339 6.168 -6.918 1.00 31.22 H new ATOM 0 HB2 ALA A 472 -7.692 5.048 -6.629 1.00 31.22 H new ATOM 0 HB3 ALA A 472 -6.342 4.560 -7.681 1.00 31.22 H new ATOM 1264 N MET A 473 -6.014 5.601 -10.257 1.00 74.24 N ATOM 1265 CA MET A 473 -5.059 5.975 -11.287 1.00 42.31 C ATOM 1266 C MET A 473 -5.724 6.835 -12.364 1.00 22.11 C ATOM 1267 O MET A 473 -5.473 8.036 -12.446 1.00 51.24 O ATOM 1268 CB MET A 473 -4.478 4.713 -11.928 1.00 4.40 C ATOM 1269 CG MET A 473 -3.426 4.071 -11.020 1.00 52.42 C ATOM 1270 SD MET A 473 -3.498 2.294 -11.164 1.00 35.24 S ATOM 1271 CE MET A 473 -2.480 1.829 -9.774 1.00 1.24 C ATOM 0 H MET A 473 -6.067 4.600 -10.067 1.00 74.24 H new ATOM 0 HA MET A 473 -4.262 6.557 -10.824 1.00 42.31 H new ATOM 0 HB2 MET A 473 -5.278 3.999 -12.125 1.00 4.40 H new ATOM 0 HB3 MET A 473 -4.030 4.963 -12.890 1.00 4.40 H new ATOM 0 HG2 MET A 473 -2.432 4.426 -11.293 1.00 52.42 H new ATOM 0 HG3 MET A 473 -3.597 4.367 -9.985 1.00 52.42 H new ATOM 0 HE1 MET A 473 -2.825 0.876 -9.373 1.00 1.24 H new ATOM 0 HE2 MET A 473 -1.444 1.732 -10.098 1.00 1.24 H new ATOM 0 HE3 MET A 473 -2.548 2.594 -9.001 1.00 1.24 H new ATOM 1279 N MET A 474 -6.559 6.186 -13.162 1.00 51.51 N ATOM 1280 CA MET A 474 -7.261 6.877 -14.230 1.00 35.20 C ATOM 1281 C MET A 474 -8.005 8.102 -13.694 1.00 15.10 C ATOM 1282 O MET A 474 -8.359 9.000 -14.457 1.00 54.42 O ATOM 1283 CB MET A 474 -8.260 5.921 -14.887 1.00 64.31 C ATOM 1284 CG MET A 474 -9.326 5.471 -13.886 1.00 11.41 C ATOM 1285 SD MET A 474 -10.641 6.677 -13.813 1.00 44.14 S ATOM 1286 CE MET A 474 -11.737 5.870 -12.660 1.00 21.04 C ATOM 0 H MET A 474 -6.765 5.190 -13.090 1.00 51.51 H new ATOM 0 HA MET A 474 -6.528 7.212 -14.964 1.00 35.20 H new ATOM 0 HB2 MET A 474 -8.737 6.413 -15.735 1.00 64.31 H new ATOM 0 HB3 MET A 474 -7.733 5.051 -15.279 1.00 64.31 H new ATOM 0 HG2 MET A 474 -9.727 4.501 -14.180 1.00 11.41 H new ATOM 0 HG3 MET A 474 -8.881 5.346 -12.899 1.00 11.41 H new ATOM 0 HE1 MET A 474 -12.769 6.123 -12.901 1.00 21.04 H new ATOM 0 HE2 MET A 474 -11.603 4.790 -12.726 1.00 21.04 H new ATOM 0 HE3 MET A 474 -11.509 6.203 -11.647 1.00 21.04 H new ATOM 1294 N SER A 475 -8.219 8.100 -12.387 1.00 53.43 N ATOM 1295 CA SER A 475 -8.915 9.201 -11.741 1.00 3.42 C ATOM 1296 C SER A 475 -7.945 10.358 -11.492 1.00 13.53 C ATOM 1297 O SER A 475 -8.345 11.521 -11.503 1.00 51.51 O ATOM 1298 CB SER A 475 -9.552 8.751 -10.425 1.00 61.02 C ATOM 1299 OG SER A 475 -9.966 9.858 -9.628 1.00 4.13 O ATOM 0 H SER A 475 -7.923 7.354 -11.757 1.00 53.43 H new ATOM 0 HA SER A 475 -9.712 9.539 -12.403 1.00 3.42 H new ATOM 0 HB2 SER A 475 -10.411 8.115 -10.637 1.00 61.02 H new ATOM 0 HB3 SER A 475 -8.839 8.147 -9.864 1.00 61.02 H new ATOM 0 HG SER A 475 -9.490 9.841 -8.772 1.00 4.13 H new ATOM 1304 N ASN A 476 -6.688 9.999 -11.276 1.00 40.41 N ATOM 1305 CA ASN A 476 -5.658 10.994 -11.027 1.00 44.54 C ATOM 1306 C ASN A 476 -4.393 10.617 -11.799 1.00 44.41 C ATOM 1307 O ASN A 476 -3.541 9.893 -11.286 1.00 34.14 O ATOM 1308 CB ASN A 476 -5.303 11.058 -9.540 1.00 42.02 C ATOM 1309 CG ASN A 476 -4.271 12.154 -9.269 1.00 41.34 C ATOM 1310 OD1 ASN A 476 -4.126 13.104 -10.020 1.00 44.22 O ATOM 1311 ND2 ASN A 476 -3.564 11.968 -8.158 1.00 25.11 N ATOM 0 H ASN A 476 -6.359 9.033 -11.268 1.00 40.41 H new ATOM 0 HA ASN A 476 -6.040 11.963 -11.349 1.00 44.54 H new ATOM 0 HB2 ASN A 476 -6.203 11.249 -8.956 1.00 42.02 H new ATOM 0 HB3 ASN A 476 -4.910 10.095 -9.215 1.00 42.02 H new ATOM 0 HD21 ASN A 476 -2.849 12.644 -7.890 1.00 25.11 H new ATOM 0 HD22 ASN A 476 -3.737 11.150 -7.574 1.00 25.11 H new ATOM 1317 N LEU A 477 -4.310 11.125 -13.019 1.00 21.22 N ATOM 1318 CA LEU A 477 -3.162 10.850 -13.868 1.00 14.44 C ATOM 1319 C LEU A 477 -2.369 12.141 -14.078 1.00 32.31 C ATOM 1320 O LEU A 477 -1.190 12.098 -14.428 1.00 71.41 O ATOM 1321 CB LEU A 477 -3.607 10.182 -15.171 1.00 14.50 C ATOM 1322 CG LEU A 477 -4.588 9.017 -15.026 1.00 33.32 C ATOM 1323 CD1 LEU A 477 -5.378 8.801 -16.320 1.00 11.10 C ATOM 1324 CD2 LEU A 477 -3.867 7.745 -14.577 1.00 35.45 C ATOM 0 H LEU A 477 -5.018 11.726 -13.441 1.00 21.22 H new ATOM 0 HA LEU A 477 -2.492 10.139 -13.385 1.00 14.44 H new ATOM 0 HB2 LEU A 477 -4.065 10.940 -15.807 1.00 14.50 H new ATOM 0 HB3 LEU A 477 -2.720 9.822 -15.693 1.00 14.50 H new ATOM 0 HG LEU A 477 -5.307 9.271 -14.247 1.00 33.32 H new ATOM 0 HD11 LEU A 477 -6.068 7.967 -16.190 1.00 11.10 H new ATOM 0 HD12 LEU A 477 -5.940 9.704 -16.558 1.00 11.10 H new ATOM 0 HD13 LEU A 477 -4.689 8.578 -17.134 1.00 11.10 H new ATOM 0 HD21 LEU A 477 -4.588 6.933 -14.482 1.00 35.45 H new ATOM 0 HD22 LEU A 477 -3.111 7.475 -15.315 1.00 35.45 H new ATOM 0 HD23 LEU A 477 -3.387 7.919 -13.614 1.00 35.45 H new ATOM 1335 N THR A 478 -3.046 13.257 -13.857 1.00 2.51 N ATOM 1336 CA THR A 478 -2.418 14.557 -14.017 1.00 50.11 C ATOM 1337 C THR A 478 -1.465 14.838 -12.853 1.00 15.20 C ATOM 1338 O THR A 478 -0.813 15.880 -12.817 1.00 33.43 O ATOM 1339 CB THR A 478 -3.526 15.603 -14.160 1.00 54.32 C ATOM 1340 OG1 THR A 478 -2.826 16.839 -14.265 1.00 52.23 O ATOM 1341 CG2 THR A 478 -4.358 15.753 -12.884 1.00 12.41 C ATOM 0 H THR A 478 -4.024 13.288 -13.568 1.00 2.51 H new ATOM 0 HA THR A 478 -1.801 14.589 -14.915 1.00 50.11 H new ATOM 0 HB THR A 478 -4.179 15.329 -14.989 1.00 54.32 H new ATOM 0 HG1 THR A 478 -1.895 16.713 -13.985 1.00 52.23 H new ATOM 0 HG21 THR A 478 -5.130 16.507 -13.039 1.00 12.41 H new ATOM 0 HG22 THR A 478 -4.826 14.799 -12.641 1.00 12.41 H new ATOM 0 HG23 THR A 478 -3.711 16.060 -12.062 1.00 12.41 H new ATOM 1349 N ARG A 479 -1.416 13.888 -11.929 1.00 33.22 N ATOM 1350 CA ARG A 479 -0.554 14.020 -10.767 1.00 13.13 C ATOM 1351 C ARG A 479 0.641 13.072 -10.883 1.00 41.35 C ATOM 1352 O ARG A 479 1.763 13.510 -11.127 1.00 32.34 O ATOM 1353 CB ARG A 479 -1.318 13.711 -9.477 1.00 31.41 C ATOM 1354 CG ARG A 479 -2.122 14.927 -9.013 1.00 3.33 C ATOM 1355 CD ARG A 479 -2.731 15.670 -10.204 1.00 70.35 C ATOM 1356 NE ARG A 479 -3.589 16.776 -9.725 1.00 71.31 N ATOM 1357 CZ ARG A 479 -4.902 16.645 -9.437 1.00 53.45 C ATOM 1358 NH1 ARG A 479 -5.519 15.454 -9.579 1.00 20.32 N ATOM 1359 NH2 ARG A 479 -5.573 17.702 -9.017 1.00 22.35 N ATOM 0 H ARG A 479 -1.959 13.025 -11.962 1.00 33.22 H new ATOM 0 HA ARG A 479 -0.202 15.051 -10.730 1.00 13.13 H new ATOM 0 HB2 ARG A 479 -1.989 12.867 -9.640 1.00 31.41 H new ATOM 0 HB3 ARG A 479 -0.617 13.414 -8.697 1.00 31.41 H new ATOM 0 HG2 ARG A 479 -2.914 14.607 -8.336 1.00 3.33 H new ATOM 0 HG3 ARG A 479 -1.476 15.601 -8.451 1.00 3.33 H new ATOM 0 HD2 ARG A 479 -1.939 16.063 -10.842 1.00 70.35 H new ATOM 0 HD3 ARG A 479 -3.317 14.981 -10.812 1.00 70.35 H new ATOM 0 HE ARG A 479 -3.162 17.695 -9.605 1.00 71.31 H new ATOM 0 HH11 ARG A 479 -4.994 14.643 -9.906 1.00 20.32 H new ATOM 0 HH12 ARG A 479 -6.511 15.364 -9.359 1.00 20.32 H new ATOM 0 HH21 ARG A 479 -5.099 18.599 -8.915 1.00 22.35 H new ATOM 0 HH22 ARG A 479 -6.565 17.621 -8.795 1.00 22.35 H new ATOM 1369 N GLN A 480 0.360 11.791 -10.702 1.00 13.03 N ATOM 1370 CA GLN A 480 1.397 10.777 -10.783 1.00 34.40 C ATOM 1371 C GLN A 480 1.118 9.824 -11.947 1.00 73.02 C ATOM 1372 O GLN A 480 2.047 9.311 -12.569 1.00 33.41 O ATOM 1373 CB GLN A 480 1.520 10.010 -9.465 1.00 61.42 C ATOM 1374 CG GLN A 480 0.279 9.151 -9.213 1.00 43.11 C ATOM 1375 CD GLN A 480 -0.878 10.000 -8.684 1.00 64.53 C ATOM 1376 OE1 GLN A 480 -0.727 10.807 -7.781 1.00 12.42 O ATOM 1377 NE2 GLN A 480 -2.038 9.775 -9.293 1.00 41.31 N ATOM 0 H GLN A 480 -0.573 11.431 -10.499 1.00 13.03 H new ATOM 0 HA GLN A 480 2.349 11.275 -10.966 1.00 34.40 H new ATOM 0 HB2 GLN A 480 2.406 9.376 -9.490 1.00 61.42 H new ATOM 0 HB3 GLN A 480 1.654 10.712 -8.642 1.00 61.42 H new ATOM 0 HG2 GLN A 480 -0.020 8.658 -10.138 1.00 43.11 H new ATOM 0 HG3 GLN A 480 0.516 8.365 -8.495 1.00 43.11 H new ATOM 0 HE21 GLN A 480 -2.095 9.085 -10.042 1.00 41.31 H new ATOM 0 HE22 GLN A 480 -2.871 10.292 -9.011 1.00 41.31 H new ATOM 1384 N GLY A 481 -0.164 9.616 -12.207 1.00 21.41 N ATOM 1385 CA GLY A 481 -0.576 8.734 -13.285 1.00 23.21 C ATOM 1386 C GLY A 481 0.363 7.531 -13.398 1.00 33.54 C ATOM 1387 O GLY A 481 0.895 7.254 -14.473 1.00 44.44 O ATOM 0 H GLY A 481 -0.932 10.044 -11.689 1.00 21.41 H new ATOM 0 HA2 GLY A 481 -1.595 8.389 -13.108 1.00 23.21 H new ATOM 0 HA3 GLY A 481 -0.584 9.283 -14.226 1.00 23.21 H new ATOM 1391 N SER A 482 0.537 6.849 -12.277 1.00 45.32 N ATOM 1392 CA SER A 482 1.403 5.682 -12.237 1.00 42.13 C ATOM 1393 C SER A 482 0.567 4.417 -12.025 1.00 71.33 C ATOM 1394 O SER A 482 0.208 4.088 -10.896 1.00 53.44 O ATOM 1395 CB SER A 482 2.454 5.814 -11.134 1.00 25.33 C ATOM 1396 OG SER A 482 3.725 5.318 -11.547 1.00 43.15 O ATOM 0 H SER A 482 0.093 7.081 -11.388 1.00 45.32 H new ATOM 0 HA SER A 482 1.924 5.610 -13.192 1.00 42.13 H new ATOM 0 HB2 SER A 482 2.549 6.861 -10.847 1.00 25.33 H new ATOM 0 HB3 SER A 482 2.122 5.270 -10.250 1.00 25.33 H new ATOM 0 HG SER A 482 4.370 5.421 -10.816 1.00 43.15 H new ATOM 1401 N PRO A 483 0.274 3.727 -13.159 1.00 22.15 N ATOM 1402 CA PRO A 483 -0.511 2.505 -13.109 1.00 11.44 C ATOM 1403 C PRO A 483 0.320 1.339 -12.570 1.00 44.35 C ATOM 1404 O PRO A 483 -0.171 0.215 -12.471 1.00 51.41 O ATOM 1405 CB PRO A 483 -0.989 2.285 -14.535 1.00 53.32 C ATOM 1406 CG PRO A 483 -0.075 3.124 -15.413 1.00 52.24 C ATOM 1407 CD PRO A 483 0.683 4.086 -14.514 1.00 5.34 C ATOM 0 HA PRO A 483 -1.357 2.578 -12.426 1.00 11.44 H new ATOM 0 HB2 PRO A 483 -0.934 1.231 -14.808 1.00 53.32 H new ATOM 0 HB3 PRO A 483 -2.029 2.590 -14.650 1.00 53.32 H new ATOM 0 HG2 PRO A 483 0.619 2.486 -15.960 1.00 52.24 H new ATOM 0 HG3 PRO A 483 -0.656 3.672 -16.154 1.00 52.24 H new ATOM 0 HD2 PRO A 483 1.760 3.983 -14.643 1.00 5.34 H new ATOM 0 HD3 PRO A 483 0.432 5.122 -14.742 1.00 5.34 H new ATOM 1412 N ASP A 484 1.565 1.646 -12.236 1.00 43.24 N ATOM 1413 CA ASP A 484 2.469 0.637 -11.708 1.00 74.11 C ATOM 1414 C ASP A 484 2.740 0.924 -10.232 1.00 44.32 C ATOM 1415 O ASP A 484 3.876 0.821 -9.774 1.00 44.11 O ATOM 1416 CB ASP A 484 3.807 0.659 -12.448 1.00 31.04 C ATOM 1417 CG ASP A 484 3.838 -0.137 -13.755 1.00 25.10 C ATOM 1418 OD1 ASP A 484 3.004 0.072 -14.649 1.00 2.14 O ATOM 1419 OD2 ASP A 484 4.780 -1.015 -13.836 1.00 0.24 O ATOM 0 H ASP A 484 1.969 2.579 -12.321 1.00 43.24 H new ATOM 0 HA ASP A 484 2.000 -0.339 -11.838 1.00 74.11 H new ATOM 0 HB2 ASP A 484 4.068 1.695 -12.665 1.00 31.04 H new ATOM 0 HB3 ASP A 484 4.578 0.269 -11.784 1.00 31.04 H new ATOM 1424 N CYS A 485 1.676 1.277 -9.524 1.00 73.20 N ATOM 1425 CA CYS A 485 1.785 1.580 -8.108 1.00 44.11 C ATOM 1426 C CYS A 485 0.884 0.610 -7.339 1.00 70.30 C ATOM 1427 O CYS A 485 0.200 1.008 -6.397 1.00 21.25 O ATOM 1428 CB CYS A 485 1.435 3.040 -7.812 1.00 22.34 C ATOM 1429 SG CYS A 485 -0.311 3.365 -8.248 1.00 74.21 S ATOM 0 H CYS A 485 0.734 1.360 -9.906 1.00 73.20 H new ATOM 0 HA CYS A 485 2.818 1.451 -7.785 1.00 44.11 H new ATOM 0 HB2 CYS A 485 1.601 3.256 -6.757 1.00 22.34 H new ATOM 0 HB3 CYS A 485 2.089 3.702 -8.379 1.00 22.34 H new ATOM 0 HG CYS A 485 -0.393 3.680 -9.507 1.00 74.21 H new ATOM 1434 N VAL A 486 0.913 -0.642 -7.770 1.00 24.51 N ATOM 1435 CA VAL A 486 0.109 -1.672 -7.135 1.00 62.23 C ATOM 1436 C VAL A 486 1.029 -2.753 -6.566 1.00 32.42 C ATOM 1437 O VAL A 486 1.864 -3.303 -7.284 1.00 71.20 O ATOM 1438 CB VAL A 486 -0.917 -2.219 -8.127 1.00 15.35 C ATOM 1439 CG1 VAL A 486 -2.112 -2.836 -7.395 1.00 53.30 C ATOM 1440 CG2 VAL A 486 -1.373 -1.132 -9.101 1.00 55.54 C ATOM 0 H VAL A 486 1.481 -0.967 -8.552 1.00 24.51 H new ATOM 0 HA VAL A 486 -0.456 -1.256 -6.301 1.00 62.23 H new ATOM 0 HB VAL A 486 -0.435 -3.006 -8.707 1.00 15.35 H new ATOM 0 HG11 VAL A 486 -2.827 -3.218 -8.123 1.00 53.30 H new ATOM 0 HG12 VAL A 486 -1.768 -3.654 -6.761 1.00 53.30 H new ATOM 0 HG13 VAL A 486 -2.593 -2.077 -6.778 1.00 53.30 H new ATOM 0 HG21 VAL A 486 -2.103 -1.549 -9.795 1.00 55.54 H new ATOM 0 HG22 VAL A 486 -1.828 -0.313 -8.545 1.00 55.54 H new ATOM 0 HG23 VAL A 486 -0.514 -0.759 -9.658 1.00 55.54 H new ATOM 1450 N ILE A 487 0.845 -3.028 -5.283 1.00 71.31 N ATOM 1451 CA ILE A 487 1.649 -4.036 -4.611 1.00 53.55 C ATOM 1452 C ILE A 487 0.732 -4.952 -3.798 1.00 21.34 C ATOM 1453 O ILE A 487 0.418 -4.659 -2.646 1.00 53.25 O ATOM 1454 CB ILE A 487 2.752 -3.376 -3.782 1.00 53.13 C ATOM 1455 CG1 ILE A 487 3.322 -2.152 -4.503 1.00 22.33 C ATOM 1456 CG2 ILE A 487 3.841 -4.386 -3.417 1.00 42.05 C ATOM 1457 CD1 ILE A 487 4.131 -2.569 -5.733 1.00 41.01 C ATOM 0 H ILE A 487 0.151 -2.571 -4.691 1.00 71.31 H new ATOM 0 HA ILE A 487 2.163 -4.663 -5.340 1.00 53.55 H new ATOM 0 HB ILE A 487 2.314 -3.024 -2.848 1.00 53.13 H new ATOM 0 HG12 ILE A 487 2.509 -1.492 -4.805 1.00 22.33 H new ATOM 0 HG13 ILE A 487 3.956 -1.586 -3.821 1.00 22.33 H new ATOM 0 HG21 ILE A 487 4.613 -3.891 -2.828 1.00 42.05 H new ATOM 0 HG22 ILE A 487 3.404 -5.197 -2.835 1.00 42.05 H new ATOM 0 HG23 ILE A 487 4.283 -4.790 -4.328 1.00 42.05 H new ATOM 0 HD11 ILE A 487 4.525 -1.681 -6.227 1.00 41.01 H new ATOM 0 HD12 ILE A 487 4.957 -3.210 -5.425 1.00 41.01 H new ATOM 0 HD13 ILE A 487 3.488 -3.114 -6.424 1.00 41.01 H new ATOM 1468 N PRO A 488 0.320 -6.075 -4.446 1.00 64.43 N ATOM 1469 CA PRO A 488 -0.554 -7.037 -3.795 1.00 54.23 C ATOM 1470 C PRO A 488 0.216 -7.870 -2.770 1.00 21.34 C ATOM 1471 O PRO A 488 0.839 -8.872 -3.120 1.00 0.30 O ATOM 1472 CB PRO A 488 -1.131 -7.871 -4.927 1.00 20.24 C ATOM 1473 CG PRO A 488 -0.211 -7.655 -6.117 1.00 61.52 C ATOM 1474 CD PRO A 488 0.673 -6.456 -5.811 1.00 50.52 C ATOM 0 HA PRO A 488 -1.350 -6.563 -3.222 1.00 54.23 H new ATOM 0 HB2 PRO A 488 -1.173 -8.925 -4.653 1.00 20.24 H new ATOM 0 HB3 PRO A 488 -2.150 -7.561 -5.160 1.00 20.24 H new ATOM 0 HG2 PRO A 488 0.397 -8.542 -6.295 1.00 61.52 H new ATOM 0 HG3 PRO A 488 -0.792 -7.480 -7.022 1.00 61.52 H new ATOM 0 HD2 PRO A 488 1.729 -6.712 -5.890 1.00 50.52 H new ATOM 0 HD3 PRO A 488 0.490 -5.640 -6.510 1.00 50.52 H new ATOM 1479 N PHE A 489 0.149 -7.426 -1.523 1.00 33.10 N ATOM 1480 CA PHE A 489 0.832 -8.120 -0.444 1.00 73.24 C ATOM 1481 C PHE A 489 0.051 -9.360 -0.008 1.00 4.12 C ATOM 1482 O PHE A 489 -1.154 -9.453 -0.239 1.00 53.34 O ATOM 1483 CB PHE A 489 0.916 -7.144 0.732 1.00 61.11 C ATOM 1484 CG PHE A 489 2.106 -7.390 1.660 1.00 51.12 C ATOM 1485 CD1 PHE A 489 3.317 -6.837 1.376 1.00 14.21 C ATOM 1486 CD2 PHE A 489 1.955 -8.161 2.771 1.00 72.23 C ATOM 1487 CE1 PHE A 489 4.421 -7.065 2.238 1.00 2.31 C ATOM 1488 CE2 PHE A 489 3.061 -8.389 3.632 1.00 64.23 C ATOM 1489 CZ PHE A 489 4.270 -7.836 3.347 1.00 61.20 C ATOM 0 H PHE A 489 -0.368 -6.595 -1.236 1.00 33.10 H new ATOM 0 HA PHE A 489 1.819 -8.444 -0.775 1.00 73.24 H new ATOM 0 HB2 PHE A 489 0.975 -6.127 0.344 1.00 61.11 H new ATOM 0 HB3 PHE A 489 -0.004 -7.210 1.312 1.00 61.11 H new ATOM 0 HD1 PHE A 489 3.438 -6.225 0.495 1.00 14.21 H new ATOM 0 HD2 PHE A 489 0.994 -8.599 2.998 1.00 72.23 H new ATOM 0 HE1 PHE A 489 5.382 -6.626 2.013 1.00 2.31 H new ATOM 0 HE2 PHE A 489 2.942 -9.002 4.513 1.00 64.23 H new ATOM 0 HZ PHE A 489 5.111 -8.010 4.002 1.00 61.20 H new ATOM 1498 N LEU A 490 0.767 -10.284 0.615 1.00 61.51 N ATOM 1499 CA LEU A 490 0.156 -11.515 1.087 1.00 52.43 C ATOM 1500 C LEU A 490 0.836 -11.952 2.386 1.00 51.44 C ATOM 1501 O LEU A 490 1.952 -12.470 2.362 1.00 1.51 O ATOM 1502 CB LEU A 490 0.183 -12.580 -0.011 1.00 32.20 C ATOM 1503 CG LEU A 490 -0.489 -13.912 0.330 1.00 4.02 C ATOM 1504 CD1 LEU A 490 0.485 -14.848 1.052 1.00 13.30 C ATOM 1505 CD2 LEU A 490 -1.771 -13.689 1.135 1.00 54.13 C ATOM 0 H LEU A 490 1.766 -10.205 0.804 1.00 61.51 H new ATOM 0 HA LEU A 490 -0.897 -11.354 1.318 1.00 52.43 H new ATOM 0 HB2 LEU A 490 -0.298 -12.170 -0.899 1.00 32.20 H new ATOM 0 HB3 LEU A 490 1.222 -12.777 -0.273 1.00 32.20 H new ATOM 0 HG LEU A 490 -0.774 -14.399 -0.602 1.00 4.02 H new ATOM 0 HD11 LEU A 490 -0.017 -15.787 1.283 1.00 13.30 H new ATOM 0 HD12 LEU A 490 1.344 -15.044 0.411 1.00 13.30 H new ATOM 0 HD13 LEU A 490 0.822 -14.380 1.977 1.00 13.30 H new ATOM 0 HD21 LEU A 490 -2.229 -14.651 1.364 1.00 54.13 H new ATOM 0 HD22 LEU A 490 -1.532 -13.171 2.064 1.00 54.13 H new ATOM 0 HD23 LEU A 490 -2.467 -13.086 0.552 1.00 54.13 H new ATOM 1516 N PRO A 491 0.117 -11.721 3.517 1.00 13.44 N ATOM 1517 CA PRO A 491 0.638 -12.087 4.823 1.00 61.31 C ATOM 1518 C PRO A 491 0.562 -13.599 5.040 1.00 23.24 C ATOM 1519 O PRO A 491 -0.029 -14.317 4.235 1.00 3.42 O ATOM 1520 CB PRO A 491 -0.203 -11.300 5.815 1.00 5.13 C ATOM 1521 CG PRO A 491 -1.458 -10.887 5.064 1.00 63.22 C ATOM 1522 CD PRO A 491 -1.208 -11.111 3.581 1.00 63.25 C ATOM 0 HA PRO A 491 1.695 -11.846 4.938 1.00 61.31 H new ATOM 0 HB2 PRO A 491 -0.451 -11.908 6.685 1.00 5.13 H new ATOM 0 HB3 PRO A 491 0.339 -10.427 6.180 1.00 5.13 H new ATOM 0 HG2 PRO A 491 -2.314 -11.473 5.400 1.00 63.22 H new ATOM 0 HG3 PRO A 491 -1.692 -9.840 5.258 1.00 63.22 H new ATOM 0 HD2 PRO A 491 -1.966 -11.763 3.146 1.00 63.25 H new ATOM 0 HD3 PRO A 491 -1.239 -10.172 3.028 1.00 63.25 H new ATOM 1527 N LEU A 492 1.169 -14.039 6.134 1.00 14.11 N ATOM 1528 CA LEU A 492 1.177 -15.452 6.468 1.00 64.45 C ATOM 1529 C LEU A 492 -0.191 -15.849 7.026 1.00 44.42 C ATOM 1530 O LEU A 492 -0.601 -17.003 6.913 1.00 71.23 O ATOM 1531 CB LEU A 492 2.341 -15.774 7.407 1.00 20.31 C ATOM 1532 CG LEU A 492 3.742 -15.487 6.863 1.00 10.22 C ATOM 1533 CD1 LEU A 492 3.914 -13.999 6.552 1.00 65.23 C ATOM 1534 CD2 LEU A 492 4.819 -16.002 7.819 1.00 3.20 C ATOM 0 H LEU A 492 1.658 -13.441 6.800 1.00 14.11 H new ATOM 0 HA LEU A 492 1.343 -16.053 5.574 1.00 64.45 H new ATOM 0 HB2 LEU A 492 2.207 -15.206 8.327 1.00 20.31 H new ATOM 0 HB3 LEU A 492 2.286 -16.830 7.673 1.00 20.31 H new ATOM 0 HG LEU A 492 3.862 -16.028 5.924 1.00 10.22 H new ATOM 0 HD11 LEU A 492 4.918 -13.821 6.167 1.00 65.23 H new ATOM 0 HD12 LEU A 492 3.180 -13.696 5.805 1.00 65.23 H new ATOM 0 HD13 LEU A 492 3.766 -13.418 7.462 1.00 65.23 H new ATOM 0 HD21 LEU A 492 5.805 -15.785 7.408 1.00 3.20 H new ATOM 0 HD22 LEU A 492 4.713 -15.510 8.786 1.00 3.20 H new ATOM 0 HD23 LEU A 492 4.708 -17.079 7.946 1.00 3.20 H new ATOM 1545 N GLU A 493 -0.859 -14.869 7.618 1.00 31.12 N ATOM 1546 CA GLU A 493 -2.173 -15.100 8.194 1.00 22.51 C ATOM 1547 C GLU A 493 -3.161 -15.529 7.107 1.00 72.33 C ATOM 1548 O GLU A 493 -4.056 -16.335 7.359 1.00 72.44 O ATOM 1549 CB GLU A 493 -2.674 -13.859 8.932 1.00 44.22 C ATOM 1550 CG GLU A 493 -2.252 -13.887 10.403 1.00 30.12 C ATOM 1551 CD GLU A 493 -3.311 -14.578 11.264 1.00 64.35 C ATOM 1552 OE1 GLU A 493 -3.091 -15.706 11.732 1.00 32.30 O ATOM 1553 OE2 GLU A 493 -4.394 -13.902 11.444 1.00 73.03 O ATOM 0 H GLU A 493 -0.515 -13.913 7.711 1.00 31.12 H new ATOM 0 HA GLU A 493 -2.092 -15.907 8.923 1.00 22.51 H new ATOM 0 HB2 GLU A 493 -2.279 -12.963 8.454 1.00 44.22 H new ATOM 0 HB3 GLU A 493 -3.760 -13.804 8.863 1.00 44.22 H new ATOM 0 HG2 GLU A 493 -1.300 -14.409 10.502 1.00 30.12 H new ATOM 0 HG3 GLU A 493 -2.096 -12.869 10.760 1.00 30.12 H new ATOM 1559 N SER A 494 -2.966 -14.970 5.921 1.00 51.31 N ATOM 1560 CA SER A 494 -3.830 -15.284 4.796 1.00 71.15 C ATOM 1561 C SER A 494 -3.000 -15.844 3.639 1.00 23.04 C ATOM 1562 O SER A 494 -1.774 -15.913 3.727 1.00 31.13 O ATOM 1563 CB SER A 494 -4.611 -14.049 4.340 1.00 34.42 C ATOM 1564 OG SER A 494 -5.741 -13.795 5.168 1.00 45.43 O ATOM 0 H SER A 494 -2.223 -14.302 5.715 1.00 51.31 H new ATOM 0 HA SER A 494 -4.549 -16.038 5.117 1.00 71.15 H new ATOM 0 HB2 SER A 494 -3.953 -13.180 4.349 1.00 34.42 H new ATOM 0 HB3 SER A 494 -4.940 -14.188 3.310 1.00 34.42 H new ATOM 0 HG SER A 494 -6.366 -14.547 5.108 1.00 45.43 H new ATOM 1569 N SER A 495 -3.699 -16.230 2.583 1.00 54.24 N ATOM 1570 CA SER A 495 -3.041 -16.781 1.410 1.00 14.23 C ATOM 1571 C SER A 495 -3.781 -16.348 0.143 1.00 51.51 C ATOM 1572 O SER A 495 -4.904 -15.852 0.214 1.00 53.13 O ATOM 1573 CB SER A 495 -2.968 -18.307 1.487 1.00 41.55 C ATOM 1574 OG SER A 495 -1.706 -18.758 1.971 1.00 41.33 O ATOM 0 H SER A 495 -4.715 -16.172 2.514 1.00 54.24 H new ATOM 0 HA SER A 495 -2.022 -16.396 1.377 1.00 14.23 H new ATOM 0 HB2 SER A 495 -3.759 -18.675 2.140 1.00 41.55 H new ATOM 0 HB3 SER A 495 -3.149 -18.729 0.498 1.00 41.55 H new ATOM 0 HG SER A 495 -1.700 -19.737 2.007 1.00 41.33 H new ATOM 1579 N PRO A 496 -3.105 -16.558 -1.018 1.00 62.24 N ATOM 1580 CA PRO A 496 -3.685 -16.196 -2.299 1.00 12.31 C ATOM 1581 C PRO A 496 -4.770 -17.193 -2.711 1.00 41.45 C ATOM 1582 O PRO A 496 -5.760 -16.815 -3.337 1.00 34.22 O ATOM 1583 CB PRO A 496 -2.514 -16.160 -3.266 1.00 74.33 C ATOM 1584 CG PRO A 496 -1.401 -16.952 -2.601 1.00 22.41 C ATOM 1585 CD PRO A 496 -1.773 -17.146 -1.141 1.00 53.35 C ATOM 0 HA PRO A 496 -4.192 -15.231 -2.273 1.00 12.31 H new ATOM 0 HB2 PRO A 496 -2.786 -16.599 -4.226 1.00 74.33 H new ATOM 0 HB3 PRO A 496 -2.201 -15.135 -3.462 1.00 74.33 H new ATOM 0 HG2 PRO A 496 -1.272 -17.916 -3.093 1.00 22.41 H new ATOM 0 HG3 PRO A 496 -0.452 -16.422 -2.686 1.00 22.41 H new ATOM 0 HD2 PRO A 496 -1.779 -18.202 -0.871 1.00 53.35 H new ATOM 0 HD3 PRO A 496 -1.059 -16.652 -0.481 1.00 53.35 H new ATOM 1590 N ALA A 497 -4.549 -18.445 -2.342 1.00 32.01 N ATOM 1591 CA ALA A 497 -5.495 -19.499 -2.665 1.00 11.33 C ATOM 1592 C ALA A 497 -6.840 -19.193 -2.003 1.00 55.44 C ATOM 1593 O ALA A 497 -7.886 -19.627 -2.482 1.00 31.04 O ATOM 1594 CB ALA A 497 -4.925 -20.851 -2.228 1.00 74.35 C ATOM 0 H ALA A 497 -3.728 -18.754 -1.822 1.00 32.01 H new ATOM 0 HA ALA A 497 -5.660 -19.548 -3.741 1.00 11.33 H new ATOM 0 HB1 ALA A 497 -5.636 -21.641 -2.471 1.00 74.35 H new ATOM 0 HB2 ALA A 497 -3.985 -21.035 -2.749 1.00 74.35 H new ATOM 0 HB3 ALA A 497 -4.748 -20.841 -1.153 1.00 74.35 H new ATOM 1600 N GLN A 498 -6.769 -18.445 -0.912 1.00 21.41 N ATOM 1601 CA GLN A 498 -7.967 -18.074 -0.178 1.00 2.41 C ATOM 1602 C GLN A 498 -8.766 -17.031 -0.961 1.00 10.43 C ATOM 1603 O GLN A 498 -9.914 -16.743 -0.625 1.00 33.25 O ATOM 1604 CB GLN A 498 -7.618 -17.562 1.220 1.00 41.14 C ATOM 1605 CG GLN A 498 -6.376 -18.267 1.769 1.00 31.41 C ATOM 1606 CD GLN A 498 -6.443 -18.393 3.291 1.00 43.33 C ATOM 1607 OE1 GLN A 498 -6.334 -17.424 4.026 1.00 12.50 O ATOM 1608 NE2 GLN A 498 -6.631 -19.636 3.725 1.00 11.22 N ATOM 0 H GLN A 498 -5.900 -18.085 -0.518 1.00 21.41 H new ATOM 0 HA GLN A 498 -8.586 -18.963 -0.058 1.00 2.41 H new ATOM 0 HB2 GLN A 498 -7.444 -16.487 1.184 1.00 41.14 H new ATOM 0 HB3 GLN A 498 -8.460 -17.726 1.892 1.00 41.14 H new ATOM 0 HG2 GLN A 498 -6.289 -19.257 1.322 1.00 31.41 H new ATOM 0 HG3 GLN A 498 -5.483 -17.710 1.486 1.00 31.41 H new ATOM 0 HE21 GLN A 498 -6.714 -20.402 3.057 1.00 11.22 H new ATOM 0 HE22 GLN A 498 -6.692 -19.823 4.726 1.00 11.22 H new ATOM 1615 N LEU A 499 -8.128 -16.492 -1.990 1.00 72.24 N ATOM 1616 CA LEU A 499 -8.766 -15.486 -2.822 1.00 71.01 C ATOM 1617 C LEU A 499 -9.445 -16.170 -4.010 1.00 12.23 C ATOM 1618 O LEU A 499 -9.172 -17.334 -4.300 1.00 53.21 O ATOM 1619 CB LEU A 499 -7.758 -14.408 -3.227 1.00 22.33 C ATOM 1620 CG LEU A 499 -6.748 -13.998 -2.155 1.00 53.14 C ATOM 1621 CD1 LEU A 499 -5.876 -12.838 -2.637 1.00 60.04 C ATOM 1622 CD2 LEU A 499 -7.450 -13.678 -0.834 1.00 71.33 C ATOM 0 H LEU A 499 -7.176 -16.733 -2.266 1.00 72.24 H new ATOM 0 HA LEU A 499 -9.545 -14.967 -2.263 1.00 71.01 H new ATOM 0 HB2 LEU A 499 -7.208 -14.762 -4.099 1.00 22.33 H new ATOM 0 HB3 LEU A 499 -8.310 -13.520 -3.536 1.00 22.33 H new ATOM 0 HG LEU A 499 -6.085 -14.843 -1.970 1.00 53.14 H new ATOM 0 HD11 LEU A 499 -5.167 -12.567 -1.855 1.00 60.04 H new ATOM 0 HD12 LEU A 499 -5.332 -13.139 -3.532 1.00 60.04 H new ATOM 0 HD13 LEU A 499 -6.507 -11.980 -2.868 1.00 60.04 H new ATOM 0 HD21 LEU A 499 -6.709 -13.389 -0.089 1.00 71.33 H new ATOM 0 HD22 LEU A 499 -8.152 -12.858 -0.984 1.00 71.33 H new ATOM 0 HD23 LEU A 499 -7.990 -14.559 -0.486 1.00 71.33 H new ATOM 1633 N SER A 500 -10.317 -15.418 -4.666 1.00 14.40 N ATOM 1634 CA SER A 500 -11.039 -15.938 -5.815 1.00 51.01 C ATOM 1635 C SER A 500 -10.067 -16.198 -6.969 1.00 61.24 C ATOM 1636 O SER A 500 -8.918 -15.760 -6.927 1.00 72.51 O ATOM 1637 CB SER A 500 -12.140 -14.971 -6.257 1.00 22.34 C ATOM 1638 OG SER A 500 -13.199 -14.900 -5.307 1.00 64.31 O ATOM 0 H SER A 500 -10.540 -14.453 -4.424 1.00 14.40 H new ATOM 0 HA SER A 500 -11.511 -16.877 -5.527 1.00 51.01 H new ATOM 0 HB2 SER A 500 -11.714 -13.978 -6.401 1.00 22.34 H new ATOM 0 HB3 SER A 500 -12.538 -15.290 -7.220 1.00 22.34 H new ATOM 0 HG SER A 500 -13.881 -14.272 -5.624 1.00 64.31 H new ATOM 1643 N SER A 501 -10.563 -16.910 -7.969 1.00 50.44 N ATOM 1644 CA SER A 501 -9.754 -17.234 -9.131 1.00 73.13 C ATOM 1645 C SER A 501 -9.553 -15.986 -9.993 1.00 31.23 C ATOM 1646 O SER A 501 -8.813 -16.017 -10.975 1.00 34.24 O ATOM 1647 CB SER A 501 -10.396 -18.351 -9.956 1.00 54.53 C ATOM 1648 OG SER A 501 -9.430 -19.082 -10.706 1.00 24.31 O ATOM 0 H SER A 501 -11.516 -17.272 -7.999 1.00 50.44 H new ATOM 0 HA SER A 501 -8.784 -17.588 -8.784 1.00 73.13 H new ATOM 0 HB2 SER A 501 -10.930 -19.031 -9.292 1.00 54.53 H new ATOM 0 HB3 SER A 501 -11.134 -17.923 -10.635 1.00 54.53 H new ATOM 0 HG SER A 501 -9.879 -19.787 -11.218 1.00 24.31 H new ATOM 1653 N ASP A 502 -10.225 -14.915 -9.595 1.00 15.53 N ATOM 1654 CA ASP A 502 -10.131 -13.659 -10.319 1.00 22.20 C ATOM 1655 C ASP A 502 -8.910 -12.881 -9.824 1.00 20.03 C ATOM 1656 O ASP A 502 -8.218 -12.240 -10.613 1.00 61.42 O ATOM 1657 CB ASP A 502 -11.371 -12.794 -10.085 1.00 71.01 C ATOM 1658 CG ASP A 502 -11.918 -12.821 -8.657 1.00 31.33 C ATOM 1659 OD1 ASP A 502 -13.002 -13.365 -8.400 1.00 1.51 O ATOM 1660 OD2 ASP A 502 -11.172 -12.247 -7.776 1.00 44.04 O ATOM 0 H ASP A 502 -10.837 -14.892 -8.780 1.00 15.53 H new ATOM 0 HA ASP A 502 -10.047 -13.887 -11.382 1.00 22.20 H new ATOM 0 HB2 ASP A 502 -11.131 -11.763 -10.347 1.00 71.01 H new ATOM 0 HB3 ASP A 502 -12.157 -13.121 -10.765 1.00 71.01 H new ATOM 1665 N THR A 503 -8.684 -12.965 -8.521 1.00 72.25 N ATOM 1666 CA THR A 503 -7.559 -12.276 -7.911 1.00 73.22 C ATOM 1667 C THR A 503 -6.312 -12.416 -8.785 1.00 54.00 C ATOM 1668 O THR A 503 -5.552 -11.461 -8.947 1.00 24.52 O ATOM 1669 CB THR A 503 -7.377 -12.828 -6.498 1.00 23.33 C ATOM 1670 OG1 THR A 503 -8.562 -12.433 -5.814 1.00 64.05 O ATOM 1671 CG2 THR A 503 -6.253 -12.125 -5.734 1.00 11.20 C ATOM 0 H THR A 503 -9.260 -13.499 -7.871 1.00 72.25 H new ATOM 0 HA THR A 503 -7.745 -11.205 -7.834 1.00 73.22 H new ATOM 0 HB THR A 503 -7.166 -13.896 -6.551 1.00 23.33 H new ATOM 0 HG1 THR A 503 -8.612 -11.455 -5.784 1.00 64.05 H new ATOM 0 HG21 THR A 503 -6.166 -12.556 -4.736 1.00 11.20 H new ATOM 0 HG22 THR A 503 -5.312 -12.256 -6.269 1.00 11.20 H new ATOM 0 HG23 THR A 503 -6.479 -11.062 -5.652 1.00 11.20 H new ATOM 1679 N ALA A 504 -6.138 -13.613 -9.326 1.00 75.21 N ATOM 1680 CA ALA A 504 -4.995 -13.891 -10.179 1.00 3.33 C ATOM 1681 C ALA A 504 -4.988 -12.907 -11.350 1.00 72.13 C ATOM 1682 O ALA A 504 -3.948 -12.340 -11.684 1.00 3.40 O ATOM 1683 CB ALA A 504 -5.045 -15.348 -10.642 1.00 44.51 C ATOM 0 H ALA A 504 -6.770 -14.402 -9.190 1.00 75.21 H new ATOM 0 HA ALA A 504 -4.064 -13.756 -9.629 1.00 3.33 H new ATOM 0 HB1 ALA A 504 -4.187 -15.556 -11.282 1.00 44.51 H new ATOM 0 HB2 ALA A 504 -5.018 -16.007 -9.774 1.00 44.51 H new ATOM 0 HB3 ALA A 504 -5.965 -15.521 -11.201 1.00 44.51 H new ATOM 1689 N SER A 505 -6.160 -12.735 -11.944 1.00 33.31 N ATOM 1690 CA SER A 505 -6.301 -11.830 -13.072 1.00 73.13 C ATOM 1691 C SER A 505 -6.297 -10.380 -12.582 1.00 74.00 C ATOM 1692 O SER A 505 -6.143 -9.454 -13.377 1.00 75.04 O ATOM 1693 CB SER A 505 -7.583 -12.122 -13.855 1.00 33.21 C ATOM 1694 OG SER A 505 -7.689 -11.315 -15.025 1.00 3.44 O ATOM 0 H SER A 505 -7.020 -13.207 -11.665 1.00 33.31 H new ATOM 0 HA SER A 505 -5.455 -11.983 -13.742 1.00 73.13 H new ATOM 0 HB2 SER A 505 -7.604 -13.175 -14.137 1.00 33.21 H new ATOM 0 HB3 SER A 505 -8.447 -11.947 -13.214 1.00 33.21 H new ATOM 0 HG SER A 505 -7.218 -10.468 -14.882 1.00 3.44 H new ATOM 1699 N LEU A 506 -6.469 -10.229 -11.278 1.00 51.52 N ATOM 1700 CA LEU A 506 -6.486 -8.907 -10.674 1.00 4.50 C ATOM 1701 C LEU A 506 -5.050 -8.447 -10.423 1.00 53.54 C ATOM 1702 O LEU A 506 -4.744 -7.261 -10.547 1.00 3.44 O ATOM 1703 CB LEU A 506 -7.362 -8.904 -9.418 1.00 31.22 C ATOM 1704 CG LEU A 506 -8.832 -9.271 -9.625 1.00 50.33 C ATOM 1705 CD1 LEU A 506 -9.513 -9.583 -8.290 1.00 21.12 C ATOM 1706 CD2 LEU A 506 -9.567 -8.174 -10.398 1.00 20.25 C ATOM 0 H LEU A 506 -6.598 -11.000 -10.622 1.00 51.52 H new ATOM 0 HA LEU A 506 -6.938 -8.184 -11.352 1.00 4.50 H new ATOM 0 HB2 LEU A 506 -6.932 -9.600 -8.698 1.00 31.22 H new ATOM 0 HB3 LEU A 506 -7.316 -7.912 -8.969 1.00 31.22 H new ATOM 0 HG LEU A 506 -8.875 -10.177 -10.229 1.00 50.33 H new ATOM 0 HD11 LEU A 506 -10.557 -9.841 -8.466 1.00 21.12 H new ATOM 0 HD12 LEU A 506 -9.008 -10.422 -7.811 1.00 21.12 H new ATOM 0 HD13 LEU A 506 -9.459 -8.709 -7.641 1.00 21.12 H new ATOM 0 HD21 LEU A 506 -10.610 -8.460 -10.532 1.00 20.25 H new ATOM 0 HD22 LEU A 506 -9.515 -7.239 -9.840 1.00 20.25 H new ATOM 0 HD23 LEU A 506 -9.099 -8.041 -11.374 1.00 20.25 H new ATOM 1717 N LEU A 507 -4.207 -9.408 -10.075 1.00 52.23 N ATOM 1718 CA LEU A 507 -2.809 -9.115 -9.806 1.00 4.11 C ATOM 1719 C LEU A 507 -1.947 -9.685 -10.935 1.00 52.13 C ATOM 1720 O LEU A 507 -0.732 -9.812 -10.788 1.00 23.21 O ATOM 1721 CB LEU A 507 -2.413 -9.618 -8.415 1.00 14.43 C ATOM 1722 CG LEU A 507 -2.078 -11.107 -8.313 1.00 50.35 C ATOM 1723 CD1 LEU A 507 -0.588 -11.351 -8.556 1.00 32.41 C ATOM 1724 CD2 LEU A 507 -2.541 -11.681 -6.972 1.00 72.51 C ATOM 0 H LEU A 507 -4.465 -10.390 -9.973 1.00 52.23 H new ATOM 0 HA LEU A 507 -2.642 -8.038 -9.789 1.00 4.11 H new ATOM 0 HB2 LEU A 507 -1.549 -9.047 -8.076 1.00 14.43 H new ATOM 0 HB3 LEU A 507 -3.229 -9.401 -7.726 1.00 14.43 H new ATOM 0 HG LEU A 507 -2.623 -11.635 -9.096 1.00 50.35 H new ATOM 0 HD11 LEU A 507 -0.376 -12.417 -8.478 1.00 32.41 H new ATOM 0 HD12 LEU A 507 -0.320 -11.000 -9.552 1.00 32.41 H new ATOM 0 HD13 LEU A 507 -0.004 -10.810 -7.811 1.00 32.41 H new ATOM 0 HD21 LEU A 507 -2.291 -12.741 -6.924 1.00 72.51 H new ATOM 0 HD22 LEU A 507 -2.042 -11.154 -6.159 1.00 72.51 H new ATOM 0 HD23 LEU A 507 -3.620 -11.558 -6.876 1.00 72.51 H new ATOM 1735 N SER A 508 -2.609 -10.013 -12.034 1.00 71.12 N ATOM 1736 CA SER A 508 -1.917 -10.566 -13.187 1.00 4.42 C ATOM 1737 C SER A 508 -1.079 -9.481 -13.864 1.00 11.33 C ATOM 1738 O SER A 508 -1.619 -8.596 -14.525 1.00 34.01 O ATOM 1739 CB SER A 508 -2.908 -11.172 -14.183 1.00 41.25 C ATOM 1740 OG SER A 508 -4.005 -10.301 -14.442 1.00 52.01 O ATOM 0 H SER A 508 -3.617 -9.907 -12.151 1.00 71.12 H new ATOM 0 HA SER A 508 -1.257 -11.362 -12.842 1.00 4.42 H new ATOM 0 HB2 SER A 508 -2.393 -11.394 -15.118 1.00 41.25 H new ATOM 0 HB3 SER A 508 -3.281 -12.119 -13.792 1.00 41.25 H new ATOM 0 HG SER A 508 -3.674 -9.388 -14.574 1.00 52.01 H new ATOM 1745 N GLY A 509 0.228 -9.585 -13.677 1.00 52.43 N ATOM 1746 CA GLY A 509 1.147 -8.624 -14.262 1.00 60.13 C ATOM 1747 C GLY A 509 1.931 -7.884 -13.177 1.00 53.33 C ATOM 1748 O GLY A 509 3.066 -7.466 -13.400 1.00 75.13 O ATOM 0 H GLY A 509 0.673 -10.321 -13.128 1.00 52.43 H new ATOM 0 HA2 GLY A 509 1.839 -9.137 -14.930 1.00 60.13 H new ATOM 0 HA3 GLY A 509 0.592 -7.907 -14.868 1.00 60.13 H new ATOM 1752 N LEU A 510 1.292 -7.742 -12.024 1.00 72.33 N ATOM 1753 CA LEU A 510 1.916 -7.058 -10.903 1.00 35.03 C ATOM 1754 C LEU A 510 2.938 -7.989 -10.248 1.00 64.31 C ATOM 1755 O LEU A 510 3.188 -9.089 -10.741 1.00 51.15 O ATOM 1756 CB LEU A 510 0.853 -6.535 -9.936 1.00 40.44 C ATOM 1757 CG LEU A 510 -0.312 -5.770 -10.570 1.00 52.24 C ATOM 1758 CD1 LEU A 510 -1.236 -5.191 -9.497 1.00 1.23 C ATOM 1759 CD2 LEU A 510 0.197 -4.693 -11.529 1.00 72.44 C ATOM 0 H LEU A 510 0.350 -8.088 -11.842 1.00 72.33 H new ATOM 0 HA LEU A 510 2.460 -6.179 -11.248 1.00 35.03 H new ATOM 0 HB2 LEU A 510 0.447 -7.381 -9.381 1.00 40.44 H new ATOM 0 HB3 LEU A 510 1.339 -5.882 -9.211 1.00 40.44 H new ATOM 0 HG LEU A 510 -0.902 -6.473 -11.158 1.00 52.24 H new ATOM 0 HD11 LEU A 510 -2.055 -4.653 -9.974 1.00 1.23 H new ATOM 0 HD12 LEU A 510 -1.639 -6.001 -8.889 1.00 1.23 H new ATOM 0 HD13 LEU A 510 -0.673 -4.507 -8.863 1.00 1.23 H new ATOM 0 HD21 LEU A 510 -0.651 -4.165 -11.966 1.00 72.44 H new ATOM 0 HD22 LEU A 510 0.823 -3.987 -10.984 1.00 72.44 H new ATOM 0 HD23 LEU A 510 0.782 -5.159 -12.322 1.00 72.44 H new ATOM 1770 N VAL A 511 3.502 -7.517 -9.146 1.00 13.12 N ATOM 1771 CA VAL A 511 4.491 -8.292 -8.418 1.00 5.32 C ATOM 1772 C VAL A 511 3.920 -8.687 -7.055 1.00 44.23 C ATOM 1773 O VAL A 511 3.999 -7.918 -6.098 1.00 42.04 O ATOM 1774 CB VAL A 511 5.799 -7.507 -8.314 1.00 25.34 C ATOM 1775 CG1 VAL A 511 6.678 -8.053 -7.188 1.00 25.15 C ATOM 1776 CG2 VAL A 511 6.549 -7.513 -9.647 1.00 73.32 C ATOM 0 H VAL A 511 3.292 -6.605 -8.739 1.00 13.12 H new ATOM 0 HA VAL A 511 4.723 -9.213 -8.952 1.00 5.32 H new ATOM 0 HB VAL A 511 5.551 -6.473 -8.074 1.00 25.34 H new ATOM 0 HG11 VAL A 511 7.602 -7.477 -7.136 1.00 25.15 H new ATOM 0 HG12 VAL A 511 6.146 -7.973 -6.240 1.00 25.15 H new ATOM 0 HG13 VAL A 511 6.913 -9.099 -7.385 1.00 25.15 H new ATOM 0 HG21 VAL A 511 7.476 -6.948 -9.546 1.00 73.32 H new ATOM 0 HG22 VAL A 511 6.779 -8.540 -9.930 1.00 73.32 H new ATOM 0 HG23 VAL A 511 5.927 -7.055 -10.416 1.00 73.32 H new ATOM 1786 N ARG A 512 3.357 -9.886 -7.009 1.00 44.52 N ATOM 1787 CA ARG A 512 2.772 -10.391 -5.777 1.00 23.00 C ATOM 1788 C ARG A 512 3.789 -10.316 -4.637 1.00 74.44 C ATOM 1789 O ARG A 512 4.796 -11.023 -4.650 1.00 1.11 O ATOM 1790 CB ARG A 512 2.309 -11.840 -5.942 1.00 21.21 C ATOM 1791 CG ARG A 512 1.083 -12.126 -5.073 1.00 33.43 C ATOM 1792 CD ARG A 512 1.487 -12.368 -3.618 1.00 63.41 C ATOM 1793 NE ARG A 512 1.805 -13.799 -3.411 1.00 21.20 N ATOM 1794 CZ ARG A 512 3.049 -14.318 -3.495 1.00 44.13 C ATOM 1795 NH1 ARG A 512 4.104 -13.526 -3.782 1.00 24.45 N ATOM 1796 NH2 ARG A 512 3.217 -15.611 -3.291 1.00 44.12 N ATOM 0 H ARG A 512 3.293 -10.522 -7.804 1.00 44.52 H new ATOM 0 HA ARG A 512 1.909 -9.769 -5.540 1.00 23.00 H new ATOM 0 HB2 ARG A 512 2.071 -12.032 -6.988 1.00 21.21 H new ATOM 0 HB3 ARG A 512 3.118 -12.517 -5.670 1.00 21.21 H new ATOM 0 HG2 ARG A 512 0.391 -11.286 -5.127 1.00 33.43 H new ATOM 0 HG3 ARG A 512 0.556 -12.999 -5.458 1.00 33.43 H new ATOM 0 HD2 ARG A 512 2.352 -11.755 -3.366 1.00 63.41 H new ATOM 0 HD3 ARG A 512 0.678 -12.067 -2.953 1.00 63.41 H new ATOM 0 HE ARG A 512 1.036 -14.433 -3.191 1.00 21.20 H new ATOM 0 HH11 ARG A 512 3.965 -12.528 -3.937 1.00 24.45 H new ATOM 0 HH12 ARG A 512 5.040 -13.926 -3.844 1.00 24.45 H new ATOM 0 HH21 ARG A 512 2.414 -16.202 -3.074 1.00 44.12 H new ATOM 0 HH22 ARG A 512 4.150 -16.020 -3.351 1.00 44.12 H new ATOM 1806 N LEU A 513 3.492 -9.450 -3.679 1.00 72.33 N ATOM 1807 CA LEU A 513 4.368 -9.273 -2.533 1.00 73.24 C ATOM 1808 C LEU A 513 3.991 -10.283 -1.448 1.00 60.23 C ATOM 1809 O LEU A 513 2.813 -10.462 -1.144 1.00 40.55 O ATOM 1810 CB LEU A 513 4.340 -7.818 -2.058 1.00 13.12 C ATOM 1811 CG LEU A 513 5.683 -7.230 -1.621 1.00 60.15 C ATOM 1812 CD1 LEU A 513 6.718 -7.332 -2.743 1.00 25.03 C ATOM 1813 CD2 LEU A 513 5.516 -5.792 -1.123 1.00 12.23 C ATOM 0 H LEU A 513 2.657 -8.864 -3.673 1.00 72.33 H new ATOM 0 HA LEU A 513 5.403 -9.474 -2.809 1.00 73.24 H new ATOM 0 HB2 LEU A 513 3.940 -7.201 -2.863 1.00 13.12 H new ATOM 0 HB3 LEU A 513 3.644 -7.742 -1.223 1.00 13.12 H new ATOM 0 HG LEU A 513 6.058 -7.819 -0.784 1.00 60.15 H new ATOM 0 HD11 LEU A 513 7.663 -6.907 -2.406 1.00 25.03 H new ATOM 0 HD12 LEU A 513 6.865 -8.379 -3.008 1.00 25.03 H new ATOM 0 HD13 LEU A 513 6.364 -6.783 -3.616 1.00 25.03 H new ATOM 0 HD21 LEU A 513 6.485 -5.398 -0.818 1.00 12.23 H new ATOM 0 HD22 LEU A 513 5.108 -5.175 -1.924 1.00 12.23 H new ATOM 0 HD23 LEU A 513 4.835 -5.778 -0.272 1.00 12.23 H new ATOM 1824 N ASP A 514 5.014 -10.914 -0.891 1.00 52.25 N ATOM 1825 CA ASP A 514 4.805 -11.900 0.156 1.00 34.42 C ATOM 1826 C ASP A 514 5.550 -11.464 1.418 1.00 63.35 C ATOM 1827 O ASP A 514 6.373 -10.552 1.373 1.00 44.41 O ATOM 1828 CB ASP A 514 5.345 -13.269 -0.263 1.00 21.24 C ATOM 1829 CG ASP A 514 4.312 -14.210 -0.888 1.00 42.23 C ATOM 1830 OD1 ASP A 514 3.109 -13.910 -0.910 1.00 41.20 O ATOM 1831 OD2 ASP A 514 4.793 -15.304 -1.371 1.00 33.34 O ATOM 0 H ASP A 514 5.990 -10.762 -1.145 1.00 52.25 H new ATOM 0 HA ASP A 514 3.733 -11.975 0.340 1.00 34.42 H new ATOM 0 HB2 ASP A 514 6.156 -13.120 -0.976 1.00 21.24 H new ATOM 0 HB3 ASP A 514 5.775 -13.756 0.612 1.00 21.24 H new ATOM 1836 N GLU A 515 5.235 -12.137 2.515 1.00 21.11 N ATOM 1837 CA GLU A 515 5.864 -11.831 3.789 1.00 35.42 C ATOM 1838 C GLU A 515 6.563 -13.072 4.347 1.00 64.11 C ATOM 1839 O GLU A 515 7.073 -13.050 5.466 1.00 42.44 O ATOM 1840 CB GLU A 515 4.844 -11.280 4.786 1.00 4.01 C ATOM 1841 CG GLU A 515 5.503 -10.973 6.131 1.00 45.13 C ATOM 1842 CD GLU A 515 4.737 -9.880 6.880 1.00 75.45 C ATOM 1843 OE1 GLU A 515 3.500 -9.923 6.945 1.00 53.21 O ATOM 1844 OE2 GLU A 515 5.474 -8.962 7.408 1.00 63.45 O ATOM 0 H GLU A 515 4.552 -12.894 2.548 1.00 21.11 H new ATOM 0 HA GLU A 515 6.615 -11.058 3.625 1.00 35.42 H new ATOM 0 HB2 GLU A 515 4.390 -10.374 4.384 1.00 4.01 H new ATOM 0 HB3 GLU A 515 4.041 -12.003 4.927 1.00 4.01 H new ATOM 0 HG2 GLU A 515 5.539 -11.878 6.738 1.00 45.13 H new ATOM 0 HG3 GLU A 515 6.533 -10.656 5.971 1.00 45.13 H new ATOM 1850 N HIS A 516 6.567 -14.124 3.542 1.00 52.31 N ATOM 1851 CA HIS A 516 7.194 -15.372 3.943 1.00 52.31 C ATOM 1852 C HIS A 516 8.109 -15.868 2.821 1.00 14.43 C ATOM 1853 O HIS A 516 8.567 -17.010 2.849 1.00 22.02 O ATOM 1854 CB HIS A 516 6.141 -16.404 4.350 1.00 70.25 C ATOM 1855 CG HIS A 516 4.976 -16.504 3.393 1.00 70.24 C ATOM 1856 ND1 HIS A 516 3.762 -17.065 3.747 1.00 64.31 N ATOM 1857 CD2 HIS A 516 4.853 -16.106 2.094 1.00 64.12 C ATOM 1858 CE1 HIS A 516 2.953 -17.004 2.700 1.00 2.22 C ATOM 1859 NE2 HIS A 516 3.631 -16.410 1.677 1.00 42.54 N ATOM 0 H HIS A 516 6.146 -14.138 2.613 1.00 52.31 H new ATOM 0 HA HIS A 516 7.813 -15.206 4.824 1.00 52.31 H new ATOM 0 HB2 HIS A 516 6.617 -17.381 4.430 1.00 70.25 H new ATOM 0 HB3 HIS A 516 5.763 -16.151 5.341 1.00 70.25 H new ATOM 0 HD2 HIS A 516 5.620 -15.625 1.505 1.00 64.12 H new ATOM 0 HE1 HIS A 516 1.935 -17.362 2.663 1.00 2.22 H new ATOM 0 HE2 HIS A 516 3.260 -16.229 0.744 1.00 42.54 H new ATOM 1866 N SER A 517 8.347 -14.987 1.861 1.00 30.01 N ATOM 1867 CA SER A 517 9.198 -15.321 0.733 1.00 60.30 C ATOM 1868 C SER A 517 10.626 -14.831 0.990 1.00 54.11 C ATOM 1869 O SER A 517 10.825 -13.734 1.510 1.00 5.34 O ATOM 1870 CB SER A 517 8.657 -14.718 -0.564 1.00 61.35 C ATOM 1871 OG SER A 517 9.195 -15.360 -1.718 1.00 52.25 O ATOM 0 H SER A 517 7.965 -14.042 1.841 1.00 30.01 H new ATOM 0 HA SER A 517 9.207 -16.405 0.622 1.00 60.30 H new ATOM 0 HB2 SER A 517 7.570 -14.801 -0.577 1.00 61.35 H new ATOM 0 HB3 SER A 517 8.896 -13.655 -0.596 1.00 61.35 H new ATOM 0 HG SER A 517 8.836 -14.936 -2.525 1.00 52.25 H new ATOM 1876 N GLN A 518 11.582 -15.668 0.614 1.00 33.43 N ATOM 1877 CA GLN A 518 12.983 -15.334 0.798 1.00 23.32 C ATOM 1878 C GLN A 518 13.454 -14.391 -0.311 1.00 72.14 C ATOM 1879 O GLN A 518 14.589 -13.917 -0.287 1.00 75.44 O ATOM 1880 CB GLN A 518 13.847 -16.597 0.847 1.00 41.20 C ATOM 1881 CG GLN A 518 13.639 -17.451 -0.406 1.00 61.14 C ATOM 1882 CD GLN A 518 14.812 -18.411 -0.616 1.00 53.25 C ATOM 1883 OE1 GLN A 518 14.899 -19.467 -0.011 1.00 54.32 O ATOM 1884 NE2 GLN A 518 15.706 -17.986 -1.505 1.00 44.54 N ATOM 0 H GLN A 518 11.413 -16.577 0.183 1.00 33.43 H new ATOM 0 HA GLN A 518 13.091 -14.822 1.754 1.00 23.32 H new ATOM 0 HB2 GLN A 518 14.898 -16.320 0.933 1.00 41.20 H new ATOM 0 HB3 GLN A 518 13.597 -17.179 1.734 1.00 41.20 H new ATOM 0 HG2 GLN A 518 12.712 -18.018 -0.314 1.00 61.14 H new ATOM 0 HG3 GLN A 518 13.533 -16.805 -1.277 1.00 61.14 H new ATOM 0 HE21 GLN A 518 15.572 -17.091 -1.976 1.00 44.54 H new ATOM 0 HE22 GLN A 518 16.526 -18.555 -1.716 1.00 44.54 H new ATOM 1891 N ILE A 519 12.558 -14.145 -1.255 1.00 24.24 N ATOM 1892 CA ILE A 519 12.868 -13.268 -2.371 1.00 55.24 C ATOM 1893 C ILE A 519 12.080 -11.964 -2.221 1.00 21.40 C ATOM 1894 O ILE A 519 12.500 -10.921 -2.719 1.00 10.31 O ATOM 1895 CB ILE A 519 12.624 -13.983 -3.700 1.00 13.33 C ATOM 1896 CG1 ILE A 519 11.945 -13.054 -4.708 1.00 2.33 C ATOM 1897 CG2 ILE A 519 11.834 -15.278 -3.490 1.00 40.45 C ATOM 1898 CD1 ILE A 519 12.907 -11.965 -5.185 1.00 72.11 C ATOM 0 H ILE A 519 11.617 -14.538 -1.270 1.00 24.24 H new ATOM 0 HA ILE A 519 13.926 -13.006 -2.367 1.00 55.24 H new ATOM 0 HB ILE A 519 13.591 -14.260 -4.120 1.00 13.33 H new ATOM 0 HG12 ILE A 519 11.593 -13.633 -5.562 1.00 2.33 H new ATOM 0 HG13 ILE A 519 11.068 -12.595 -4.251 1.00 2.33 H new ATOM 0 HG21 ILE A 519 11.674 -15.767 -4.451 1.00 40.45 H new ATOM 0 HG22 ILE A 519 12.394 -15.944 -2.833 1.00 40.45 H new ATOM 0 HG23 ILE A 519 10.870 -15.047 -3.036 1.00 40.45 H new ATOM 0 HD11 ILE A 519 12.399 -11.319 -5.901 1.00 72.11 H new ATOM 0 HD12 ILE A 519 13.238 -11.372 -4.332 1.00 72.11 H new ATOM 0 HD13 ILE A 519 13.771 -12.427 -5.663 1.00 72.11 H new ATOM 1909 N PHE A 520 10.953 -12.066 -1.532 1.00 22.35 N ATOM 1910 CA PHE A 520 10.104 -10.908 -1.311 1.00 71.13 C ATOM 1911 C PHE A 520 10.942 -9.662 -1.017 1.00 3.04 C ATOM 1912 O PHE A 520 10.582 -8.558 -1.423 1.00 33.25 O ATOM 1913 CB PHE A 520 9.231 -11.220 -0.095 1.00 65.04 C ATOM 1914 CG PHE A 520 8.820 -9.985 0.711 1.00 33.11 C ATOM 1915 CD1 PHE A 520 8.273 -8.913 0.077 1.00 1.44 C ATOM 1916 CD2 PHE A 520 9.002 -9.959 2.058 1.00 70.41 C ATOM 1917 CE1 PHE A 520 7.892 -7.767 0.824 1.00 54.22 C ATOM 1918 CE2 PHE A 520 8.620 -8.813 2.803 1.00 4.34 C ATOM 1919 CZ PHE A 520 8.073 -7.741 2.171 1.00 71.14 C ATOM 0 H PHE A 520 10.608 -12.933 -1.119 1.00 22.35 H new ATOM 0 HA PHE A 520 9.506 -10.709 -2.201 1.00 71.13 H new ATOM 0 HB2 PHE A 520 8.332 -11.738 -0.429 1.00 65.04 H new ATOM 0 HB3 PHE A 520 9.769 -11.905 0.559 1.00 65.04 H new ATOM 0 HD1 PHE A 520 8.129 -8.933 -0.993 1.00 1.44 H new ATOM 0 HD2 PHE A 520 9.437 -10.810 2.561 1.00 70.41 H new ATOM 0 HE1 PHE A 520 7.458 -6.915 0.321 1.00 54.22 H new ATOM 0 HE2 PHE A 520 8.764 -8.793 3.873 1.00 4.34 H new ATOM 0 HZ PHE A 520 7.782 -6.869 2.739 1.00 71.14 H new ATOM 1928 N ALA A 521 12.043 -9.880 -0.313 1.00 21.33 N ATOM 1929 CA ALA A 521 12.934 -8.788 0.040 1.00 70.31 C ATOM 1930 C ALA A 521 13.359 -8.052 -1.232 1.00 40.20 C ATOM 1931 O ALA A 521 13.317 -6.824 -1.285 1.00 71.30 O ATOM 1932 CB ALA A 521 14.129 -9.338 0.822 1.00 60.23 C ATOM 0 H ALA A 521 12.338 -10.797 0.022 1.00 21.33 H new ATOM 0 HA ALA A 521 12.426 -8.069 0.683 1.00 70.31 H new ATOM 0 HB1 ALA A 521 14.798 -8.519 1.087 1.00 60.23 H new ATOM 0 HB2 ALA A 521 13.776 -9.827 1.730 1.00 60.23 H new ATOM 0 HB3 ALA A 521 14.665 -10.060 0.206 1.00 60.23 H new ATOM 1938 N ARG A 522 13.758 -8.832 -2.226 1.00 64.01 N ATOM 1939 CA ARG A 522 14.190 -8.269 -3.492 1.00 73.30 C ATOM 1940 C ARG A 522 12.985 -7.760 -4.286 1.00 22.24 C ATOM 1941 O ARG A 522 13.132 -6.934 -5.185 1.00 74.42 O ATOM 1942 CB ARG A 522 14.941 -9.306 -4.329 1.00 61.42 C ATOM 1943 CG ARG A 522 16.300 -9.633 -3.706 1.00 34.41 C ATOM 1944 CD ARG A 522 16.145 -10.586 -2.521 1.00 4.35 C ATOM 1945 NE ARG A 522 17.472 -11.088 -2.098 1.00 43.31 N ATOM 1946 CZ ARG A 522 18.232 -11.931 -2.829 1.00 44.31 C ATOM 1947 NH1 ARG A 522 17.801 -12.375 -4.028 1.00 54.51 N ATOM 1948 NH2 ARG A 522 19.402 -12.314 -2.353 1.00 51.53 N ATOM 0 H ARG A 522 13.791 -9.850 -2.179 1.00 64.01 H new ATOM 0 HA ARG A 522 14.862 -7.439 -3.273 1.00 73.30 H new ATOM 0 HB2 ARG A 522 14.345 -10.215 -4.408 1.00 61.42 H new ATOM 0 HB3 ARG A 522 15.082 -8.928 -5.342 1.00 61.42 H new ATOM 0 HG2 ARG A 522 16.949 -10.083 -4.457 1.00 34.41 H new ATOM 0 HG3 ARG A 522 16.784 -8.713 -3.377 1.00 34.41 H new ATOM 0 HD2 ARG A 522 15.660 -10.072 -1.691 1.00 4.35 H new ATOM 0 HD3 ARG A 522 15.502 -11.422 -2.797 1.00 4.35 H new ATOM 0 HE ARG A 522 17.835 -10.777 -1.197 1.00 43.31 H new ATOM 0 HH11 ARG A 522 16.895 -12.074 -4.388 1.00 54.51 H new ATOM 0 HH12 ARG A 522 18.381 -13.012 -4.575 1.00 54.51 H new ATOM 0 HH21 ARG A 522 19.720 -11.973 -1.446 1.00 51.53 H new ATOM 0 HH22 ARG A 522 19.988 -12.951 -2.893 1.00 51.53 H new ATOM 1958 N LYS A 523 11.819 -8.276 -3.925 1.00 43.53 N ATOM 1959 CA LYS A 523 10.589 -7.884 -4.591 1.00 3.43 C ATOM 1960 C LYS A 523 10.195 -6.475 -4.140 1.00 14.24 C ATOM 1961 O LYS A 523 9.811 -5.642 -4.961 1.00 64.11 O ATOM 1962 CB LYS A 523 9.498 -8.931 -4.359 1.00 3.30 C ATOM 1963 CG LYS A 523 9.993 -10.332 -4.725 1.00 41.53 C ATOM 1964 CD LYS A 523 10.566 -10.357 -6.144 1.00 51.41 C ATOM 1965 CE LYS A 523 9.546 -9.827 -7.156 1.00 63.12 C ATOM 1966 NZ LYS A 523 9.665 -10.554 -8.439 1.00 71.31 N ATOM 0 H LYS A 523 11.700 -8.962 -3.180 1.00 43.53 H new ATOM 0 HA LYS A 523 10.737 -7.844 -5.670 1.00 3.43 H new ATOM 0 HB2 LYS A 523 9.188 -8.913 -3.314 1.00 3.30 H new ATOM 0 HB3 LYS A 523 8.620 -8.684 -4.956 1.00 3.30 H new ATOM 0 HG2 LYS A 523 10.757 -10.649 -4.015 1.00 41.53 H new ATOM 0 HG3 LYS A 523 9.171 -11.044 -4.648 1.00 41.53 H new ATOM 0 HD2 LYS A 523 11.472 -9.753 -6.185 1.00 51.41 H new ATOM 0 HD3 LYS A 523 10.850 -11.376 -6.408 1.00 51.41 H new ATOM 0 HE2 LYS A 523 8.537 -9.941 -6.759 1.00 63.12 H new ATOM 0 HE3 LYS A 523 9.706 -8.761 -7.319 1.00 63.12 H new ATOM 0 HZ1 LYS A 523 8.967 -10.183 -9.114 1.00 71.31 H new ATOM 0 HZ2 LYS A 523 10.622 -10.424 -8.824 1.00 71.31 H new ATOM 0 HZ3 LYS A 523 9.490 -11.567 -8.282 1.00 71.31 H new ATOM 1975 N VAL A 524 10.304 -6.253 -2.839 1.00 51.03 N ATOM 1976 CA VAL A 524 9.965 -4.959 -2.271 1.00 42.35 C ATOM 1977 C VAL A 524 11.079 -3.959 -2.590 1.00 15.43 C ATOM 1978 O VAL A 524 10.807 -2.798 -2.892 1.00 2.24 O ATOM 1979 CB VAL A 524 9.701 -5.101 -0.770 1.00 72.45 C ATOM 1980 CG1 VAL A 524 11.007 -5.026 0.025 1.00 53.35 C ATOM 1981 CG2 VAL A 524 8.703 -4.047 -0.287 1.00 61.55 C ATOM 0 H VAL A 524 10.622 -6.946 -2.162 1.00 51.03 H new ATOM 0 HA VAL A 524 9.047 -4.575 -2.715 1.00 42.35 H new ATOM 0 HB VAL A 524 9.260 -6.083 -0.598 1.00 72.45 H new ATOM 0 HG11 VAL A 524 10.792 -5.129 1.089 1.00 53.35 H new ATOM 0 HG12 VAL A 524 11.672 -5.830 -0.291 1.00 53.35 H new ATOM 0 HG13 VAL A 524 11.488 -4.065 -0.156 1.00 53.35 H new ATOM 0 HG21 VAL A 524 8.533 -4.170 0.783 1.00 61.55 H new ATOM 0 HG22 VAL A 524 9.104 -3.052 -0.479 1.00 61.55 H new ATOM 0 HG23 VAL A 524 7.760 -4.167 -0.820 1.00 61.55 H new ATOM 1991 N ALA A 525 12.308 -4.445 -2.514 1.00 21.32 N ATOM 1992 CA ALA A 525 13.463 -3.609 -2.792 1.00 4.21 C ATOM 1993 C ALA A 525 13.563 -3.368 -4.300 1.00 2.03 C ATOM 1994 O ALA A 525 14.430 -2.626 -4.757 1.00 10.03 O ATOM 1995 CB ALA A 525 14.720 -4.268 -2.221 1.00 24.31 C ATOM 0 H ALA A 525 12.530 -5.409 -2.264 1.00 21.32 H new ATOM 0 HA ALA A 525 13.358 -2.637 -2.310 1.00 4.21 H new ATOM 0 HB1 ALA A 525 15.587 -3.641 -2.430 1.00 24.31 H new ATOM 0 HB2 ALA A 525 14.610 -4.388 -1.143 1.00 24.31 H new ATOM 0 HB3 ALA A 525 14.860 -5.245 -2.683 1.00 24.31 H new ATOM 2001 N ASN A 526 12.663 -4.013 -5.030 1.00 44.05 N ATOM 2002 CA ASN A 526 12.640 -3.878 -6.476 1.00 22.23 C ATOM 2003 C ASN A 526 11.609 -2.819 -6.869 1.00 41.41 C ATOM 2004 O ASN A 526 11.834 -2.040 -7.793 1.00 14.12 O ATOM 2005 CB ASN A 526 12.242 -5.196 -7.144 1.00 74.12 C ATOM 2006 CG ASN A 526 13.477 -5.973 -7.600 1.00 24.55 C ATOM 2007 OD1 ASN A 526 14.550 -5.426 -7.802 1.00 40.01 O ATOM 2008 ND2 ASN A 526 13.271 -7.279 -7.751 1.00 3.32 N ATOM 0 H ASN A 526 11.946 -4.629 -4.647 1.00 44.05 H new ATOM 0 HA ASN A 526 13.639 -3.593 -6.805 1.00 22.23 H new ATOM 0 HB2 ASN A 526 11.664 -5.802 -6.446 1.00 74.12 H new ATOM 0 HB3 ASN A 526 11.598 -4.994 -8.000 1.00 74.12 H new ATOM 0 HD21 ASN A 526 14.035 -7.884 -8.052 1.00 3.32 H new ATOM 0 HD22 ASN A 526 12.349 -7.675 -7.566 1.00 3.32 H new ATOM 2014 N THR A 527 10.497 -2.824 -6.146 1.00 21.41 N ATOM 2015 CA THR A 527 9.431 -1.873 -6.408 1.00 63.23 C ATOM 2016 C THR A 527 9.603 -0.625 -5.540 1.00 21.52 C ATOM 2017 O THR A 527 9.636 0.493 -6.053 1.00 22.54 O ATOM 2018 CB THR A 527 8.096 -2.587 -6.186 1.00 4.21 C ATOM 2019 OG1 THR A 527 7.117 -1.599 -6.496 1.00 10.20 O ATOM 2020 CG2 THR A 527 7.844 -2.912 -4.711 1.00 14.43 C ATOM 0 H THR A 527 10.312 -3.472 -5.380 1.00 21.41 H new ATOM 0 HA THR A 527 9.461 -1.520 -7.439 1.00 63.23 H new ATOM 0 HB THR A 527 8.076 -3.508 -6.769 1.00 4.21 H new ATOM 0 HG1 THR A 527 6.558 -1.913 -7.237 1.00 10.20 H new ATOM 0 HG21 THR A 527 6.884 -3.418 -4.609 1.00 14.43 H new ATOM 0 HG22 THR A 527 8.637 -3.561 -4.341 1.00 14.43 H new ATOM 0 HG23 THR A 527 7.831 -1.989 -4.132 1.00 14.43 H new ATOM 2028 N PHE A 528 9.711 -0.857 -4.240 1.00 25.41 N ATOM 2029 CA PHE A 528 9.880 0.233 -3.296 1.00 52.14 C ATOM 2030 C PHE A 528 11.356 0.609 -3.150 1.00 41.40 C ATOM 2031 O PHE A 528 11.841 0.813 -2.038 1.00 34.34 O ATOM 2032 CB PHE A 528 9.355 -0.257 -1.945 1.00 34.03 C ATOM 2033 CG PHE A 528 7.829 -0.267 -1.837 1.00 44.23 C ATOM 2034 CD1 PHE A 528 7.140 0.905 -1.844 1.00 44.22 C ATOM 2035 CD2 PHE A 528 7.162 -1.448 -1.733 1.00 53.31 C ATOM 2036 CE1 PHE A 528 5.724 0.897 -1.744 1.00 1.44 C ATOM 2037 CE2 PHE A 528 5.745 -1.455 -1.633 1.00 4.34 C ATOM 2038 CZ PHE A 528 5.056 -0.283 -1.640 1.00 44.55 C ATOM 0 H PHE A 528 9.685 -1.785 -3.818 1.00 25.41 H new ATOM 0 HA PHE A 528 9.341 1.113 -3.646 1.00 52.14 H new ATOM 0 HB2 PHE A 528 9.728 -1.265 -1.766 1.00 34.03 H new ATOM 0 HB3 PHE A 528 9.761 0.378 -1.157 1.00 34.03 H new ATOM 0 HD1 PHE A 528 7.670 1.842 -1.926 1.00 44.22 H new ATOM 0 HD2 PHE A 528 7.709 -2.379 -1.726 1.00 53.31 H new ATOM 0 HE1 PHE A 528 5.177 1.828 -1.751 1.00 1.44 H new ATOM 0 HE2 PHE A 528 5.215 -2.392 -1.551 1.00 4.34 H new ATOM 0 HZ PHE A 528 3.979 -0.289 -1.563 1.00 44.55 H new ATOM 2047 N LYS A 529 12.029 0.688 -4.288 1.00 22.24 N ATOM 2048 CA LYS A 529 13.439 1.034 -4.302 1.00 74.35 C ATOM 2049 C LYS A 529 13.664 2.274 -3.432 1.00 3.43 C ATOM 2050 O LYS A 529 12.735 3.043 -3.188 1.00 22.25 O ATOM 2051 CB LYS A 529 13.939 1.194 -5.739 1.00 45.14 C ATOM 2052 CG LYS A 529 14.326 -0.159 -6.338 1.00 0.05 C ATOM 2053 CD LYS A 529 14.224 -0.132 -7.864 1.00 33.22 C ATOM 2054 CE LYS A 529 14.830 -1.397 -8.478 1.00 44.04 C ATOM 2055 NZ LYS A 529 16.247 -1.538 -8.076 1.00 62.43 N ATOM 0 H LYS A 529 11.623 0.518 -5.208 1.00 22.24 H new ATOM 0 HA LYS A 529 14.032 0.228 -3.871 1.00 74.35 H new ATOM 0 HB2 LYS A 529 13.163 1.657 -6.348 1.00 45.14 H new ATOM 0 HB3 LYS A 529 14.799 1.863 -5.756 1.00 45.14 H new ATOM 0 HG2 LYS A 529 15.344 -0.414 -6.042 1.00 0.05 H new ATOM 0 HG3 LYS A 529 13.674 -0.937 -5.940 1.00 0.05 H new ATOM 0 HD2 LYS A 529 13.179 -0.045 -8.160 1.00 33.22 H new ATOM 0 HD3 LYS A 529 14.740 0.747 -8.251 1.00 33.22 H new ATOM 0 HE2 LYS A 529 14.265 -2.272 -8.156 1.00 44.04 H new ATOM 0 HE3 LYS A 529 14.756 -1.353 -9.565 1.00 44.04 H new ATOM 0 HZ1 LYS A 529 16.817 -1.810 -8.902 1.00 62.43 H new ATOM 0 HZ2 LYS A 529 16.593 -0.632 -7.700 1.00 62.43 H new ATOM 0 HZ3 LYS A 529 16.328 -2.271 -7.342 1.00 62.43 H new ATOM 2064 N PRO A 530 14.936 2.432 -2.976 1.00 40.53 N ATOM 2065 CA PRO A 530 15.294 3.565 -2.138 1.00 20.02 C ATOM 2066 C PRO A 530 15.392 4.849 -2.964 1.00 70.11 C ATOM 2067 O PRO A 530 14.749 5.848 -2.646 1.00 72.20 O ATOM 2068 CB PRO A 530 16.611 3.173 -1.489 1.00 43.32 C ATOM 2069 CG PRO A 530 17.173 2.043 -2.337 1.00 51.10 C ATOM 2070 CD PRO A 530 16.062 1.543 -3.243 1.00 12.13 C ATOM 0 HA PRO A 530 14.541 3.783 -1.380 1.00 20.02 H new ATOM 0 HB2 PRO A 530 17.299 4.018 -1.459 1.00 43.32 H new ATOM 0 HB3 PRO A 530 16.458 2.850 -0.459 1.00 43.32 H new ATOM 0 HG2 PRO A 530 18.019 2.394 -2.928 1.00 51.10 H new ATOM 0 HG3 PRO A 530 17.540 1.236 -1.703 1.00 51.10 H new ATOM 0 HD2 PRO A 530 16.358 1.583 -4.291 1.00 12.13 H new ATOM 0 HD3 PRO A 530 15.808 0.506 -3.023 1.00 12.13 H new ATOM 2075 N HIS A 531 16.203 4.780 -4.010 1.00 42.24 N ATOM 2076 CA HIS A 531 16.394 5.925 -4.885 1.00 22.53 C ATOM 2077 C HIS A 531 15.082 6.250 -5.599 1.00 12.15 C ATOM 2078 O HIS A 531 14.954 7.302 -6.222 1.00 51.13 O ATOM 2079 CB HIS A 531 17.552 5.680 -5.854 1.00 23.15 C ATOM 2080 CG HIS A 531 17.597 4.278 -6.416 1.00 62.44 C ATOM 2081 ND1 HIS A 531 16.509 3.426 -6.389 1.00 22.42 N ATOM 2082 CD2 HIS A 531 18.611 3.593 -7.020 1.00 1.00 C ATOM 2083 CE1 HIS A 531 16.861 2.280 -6.953 1.00 30.33 C ATOM 2084 NE2 HIS A 531 18.164 2.385 -7.343 1.00 50.41 N ATOM 0 H HIS A 531 16.735 3.950 -4.271 1.00 42.24 H new ATOM 0 HA HIS A 531 16.670 6.798 -4.293 1.00 22.53 H new ATOM 0 HB2 HIS A 531 17.478 6.389 -6.679 1.00 23.15 H new ATOM 0 HB3 HIS A 531 18.491 5.885 -5.341 1.00 23.15 H new ATOM 0 HD2 HIS A 531 19.607 3.969 -7.204 1.00 1.00 H new ATOM 0 HE1 HIS A 531 16.228 1.415 -7.081 1.00 30.33 H new ATOM 0 HE2 HIS A 531 18.706 1.656 -7.806 1.00 50.41 H new ATOM 2091 N ARG A 532 14.139 5.325 -5.485 1.00 15.20 N ATOM 2092 CA ARG A 532 12.840 5.500 -6.113 1.00 41.31 C ATOM 2093 C ARG A 532 11.919 6.318 -5.206 1.00 71.23 C ATOM 2094 O ARG A 532 11.235 7.230 -5.671 1.00 63.35 O ATOM 2095 CB ARG A 532 12.185 4.149 -6.410 1.00 43.33 C ATOM 2096 CG ARG A 532 12.552 3.658 -7.811 1.00 65.12 C ATOM 2097 CD ARG A 532 14.067 3.688 -8.023 1.00 11.12 C ATOM 2098 NE ARG A 532 14.378 3.539 -9.463 1.00 50.23 N ATOM 2099 CZ ARG A 532 14.314 4.545 -10.360 1.00 55.54 C ATOM 2100 NH1 ARG A 532 13.947 5.786 -9.973 1.00 73.54 N ATOM 2101 NH2 ARG A 532 14.615 4.300 -11.621 1.00 14.31 N ATOM 0 H ARG A 532 14.249 4.453 -4.968 1.00 15.20 H new ATOM 0 HA ARG A 532 12.994 6.030 -7.053 1.00 41.31 H new ATOM 0 HB2 ARG A 532 12.503 3.416 -5.669 1.00 43.33 H new ATOM 0 HB3 ARG A 532 11.102 4.239 -6.324 1.00 43.33 H new ATOM 0 HG2 ARG A 532 12.181 2.643 -7.953 1.00 65.12 H new ATOM 0 HG3 ARG A 532 12.064 4.283 -8.559 1.00 65.12 H new ATOM 0 HD2 ARG A 532 14.477 4.626 -7.649 1.00 11.12 H new ATOM 0 HD3 ARG A 532 14.538 2.886 -7.455 1.00 11.12 H new ATOM 0 HE ARG A 532 14.658 2.617 -9.798 1.00 50.23 H new ATOM 0 HH11 ARG A 532 13.716 5.968 -8.996 1.00 73.54 H new ATOM 0 HH12 ARG A 532 13.901 6.541 -10.657 1.00 73.54 H new ATOM 0 HH21 ARG A 532 14.891 3.360 -11.906 1.00 14.31 H new ATOM 0 HH22 ARG A 532 14.571 5.050 -12.311 1.00 14.31 H new ATOM 2111 N LEU A 533 11.929 5.963 -3.930 1.00 74.24 N ATOM 2112 CA LEU A 533 11.103 6.654 -2.955 1.00 10.10 C ATOM 2113 C LEU A 533 11.425 8.149 -2.988 1.00 41.24 C ATOM 2114 O LEU A 533 10.542 8.973 -3.223 1.00 34.41 O ATOM 2115 CB LEU A 533 11.264 6.020 -1.573 1.00 43.43 C ATOM 2116 CG LEU A 533 10.222 4.965 -1.192 1.00 43.04 C ATOM 2117 CD1 LEU A 533 8.807 5.457 -1.501 1.00 14.33 C ATOM 2118 CD2 LEU A 533 10.524 3.627 -1.868 1.00 62.11 C ATOM 0 H LEU A 533 12.496 5.206 -3.549 1.00 74.24 H new ATOM 0 HA LEU A 533 10.048 6.550 -3.207 1.00 10.10 H new ATOM 0 HB2 LEU A 533 12.252 5.562 -1.518 1.00 43.43 H new ATOM 0 HB3 LEU A 533 11.238 6.813 -0.826 1.00 43.43 H new ATOM 0 HG LEU A 533 10.279 4.801 -0.116 1.00 43.04 H new ATOM 0 HD11 LEU A 533 8.086 4.689 -1.221 1.00 14.33 H new ATOM 0 HD12 LEU A 533 8.606 6.367 -0.935 1.00 14.33 H new ATOM 0 HD13 LEU A 533 8.719 5.666 -2.567 1.00 14.33 H new ATOM 0 HD21 LEU A 533 9.769 2.895 -1.580 1.00 62.11 H new ATOM 0 HD22 LEU A 533 10.512 3.755 -2.950 1.00 62.11 H new ATOM 0 HD23 LEU A 533 11.507 3.275 -1.556 1.00 62.11 H new