USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 376 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 327 CYS SG : rot 161:sc= -1.55 USER MOD Set 1.2: A 330 CYS SG : rot -51:sc= -3.25! USER MOD Set 1.3: A 353 CYS SG : rot 102:sc= -1.94 USER MOD Set 1.4: A 355 LYS NZ :NH3+ -165:sc= -2.14! (180deg=-3.19!) USER MOD Set 1.5: A 356 CYS SG : rot -178:sc= 0.934 USER MOD Set 2.1: A 312 CYS SG : rot -138:sc= -0.799 USER MOD Set 2.2: A 315 CYS SG : rot -170:sc= -0.193 USER MOD Set 2.3: A 335 HIS : no HE2:sc= -4.9! C(o=-6.4!,f=-7.9!) USER MOD Set 2.4: A 338 CYS SG : rot -70:sc= -0.558 USER MOD Single : A 310 TYR OH : rot 180:sc= 0 USER MOD Single : A 317 SER OG : rot -159:sc= -0.811 USER MOD Single : A 319 ASN : amide:sc= -0.282 X(o=-0.28,f=0) USER MOD Single : A 333 SER OG : rot 150:sc= -0.138 USER MOD Single : A 334 TYR OH : rot -72:sc= 0.0239 USER MOD Single : A 336 THR OG1 : rot -126:sc= -1.35 USER MOD Single : A 344 HIS : no HD1:sc= -0.61 X(o=-0.61,f=-0.18) USER MOD Single : A 348 LYS NZ :NH3+ -165:sc= -0.218 (180deg=-1.03!) USER MOD Single : A 359 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 41 N LEU A 309 3.227 13.169 2.958 1.00 0.00 N ATOM 42 CA LEU A 309 4.391 12.740 2.131 1.00 0.00 C ATOM 43 C LEU A 309 4.028 11.473 1.354 1.00 0.00 C ATOM 44 O LEU A 309 4.469 11.272 0.240 1.00 0.00 O ATOM 45 CB LEU A 309 5.588 12.454 3.042 1.00 0.00 C ATOM 46 CG LEU A 309 5.919 13.701 3.865 1.00 0.00 C ATOM 47 CD1 LEU A 309 7.164 13.435 4.714 1.00 0.00 C ATOM 48 CD2 LEU A 309 6.191 14.878 2.925 1.00 0.00 C ATOM 0 HA LEU A 309 4.649 13.534 1.430 1.00 0.00 H new ATOM 0 HB2 LEU A 309 5.362 11.619 3.705 1.00 0.00 H new ATOM 0 HB3 LEU A 309 6.451 12.162 2.444 1.00 0.00 H new ATOM 0 HG LEU A 309 5.077 13.940 4.514 1.00 0.00 H new ATOM 0 HD11 LEU A 309 7.401 14.323 5.301 1.00 0.00 H new ATOM 0 HD12 LEU A 309 6.975 12.597 5.384 1.00 0.00 H new ATOM 0 HD13 LEU A 309 8.004 13.196 4.062 1.00 0.00 H new ATOM 0 HD21 LEU A 309 6.427 15.766 3.512 1.00 0.00 H new ATOM 0 HD22 LEU A 309 7.033 14.638 2.276 1.00 0.00 H new ATOM 0 HD23 LEU A 309 5.307 15.070 2.317 1.00 0.00 H new ATOM 60 N TYR A 310 3.231 10.616 1.936 1.00 0.00 N ATOM 61 CA TYR A 310 2.840 9.358 1.238 1.00 0.00 C ATOM 62 C TYR A 310 1.346 9.378 0.915 1.00 0.00 C ATOM 63 O TYR A 310 0.516 9.605 1.773 1.00 0.00 O ATOM 64 CB TYR A 310 3.143 8.158 2.136 1.00 0.00 C ATOM 65 CG TYR A 310 4.554 7.684 1.891 1.00 0.00 C ATOM 66 CD1 TYR A 310 4.812 6.778 0.856 1.00 0.00 C ATOM 67 CD2 TYR A 310 5.603 8.145 2.696 1.00 0.00 C ATOM 68 CE1 TYR A 310 6.118 6.332 0.624 1.00 0.00 C ATOM 69 CE2 TYR A 310 6.910 7.699 2.464 1.00 0.00 C ATOM 70 CZ TYR A 310 7.167 6.793 1.428 1.00 0.00 C ATOM 71 OH TYR A 310 8.455 6.353 1.200 1.00 0.00 O ATOM 0 H TYR A 310 2.833 10.734 2.868 1.00 0.00 H new ATOM 0 HA TYR A 310 3.408 9.279 0.311 1.00 0.00 H new ATOM 0 HB2 TYR A 310 3.018 8.434 3.183 1.00 0.00 H new ATOM 0 HB3 TYR A 310 2.438 7.352 1.933 1.00 0.00 H new ATOM 0 HD1 TYR A 310 4.002 6.423 0.236 1.00 0.00 H new ATOM 0 HD2 TYR A 310 5.404 8.844 3.495 1.00 0.00 H new ATOM 0 HE1 TYR A 310 6.316 5.633 -0.175 1.00 0.00 H new ATOM 0 HE2 TYR A 310 7.720 8.054 3.084 1.00 0.00 H new ATOM 0 HH TYR A 310 9.062 6.771 1.846 1.00 0.00 H new ATOM 81 N VAL A 311 1.002 9.125 -0.318 1.00 0.00 N ATOM 82 CA VAL A 311 -0.435 9.105 -0.709 1.00 0.00 C ATOM 83 C VAL A 311 -0.705 7.841 -1.526 1.00 0.00 C ATOM 84 O VAL A 311 0.198 7.255 -2.090 1.00 0.00 O ATOM 85 CB VAL A 311 -0.759 10.342 -1.553 1.00 0.00 C ATOM 86 CG1 VAL A 311 -0.337 11.602 -0.796 1.00 0.00 C ATOM 87 CG2 VAL A 311 -0.005 10.269 -2.883 1.00 0.00 C ATOM 0 H VAL A 311 1.658 8.930 -1.074 1.00 0.00 H new ATOM 0 HA VAL A 311 -1.061 9.111 0.183 1.00 0.00 H new ATOM 0 HB VAL A 311 -1.831 10.376 -1.747 1.00 0.00 H new ATOM 0 HG11 VAL A 311 -0.568 12.482 -1.397 1.00 0.00 H new ATOM 0 HG12 VAL A 311 -0.877 11.656 0.149 1.00 0.00 H new ATOM 0 HG13 VAL A 311 0.735 11.567 -0.600 1.00 0.00 H new ATOM 0 HG21 VAL A 311 -0.237 11.150 -3.482 1.00 0.00 H new ATOM 0 HG22 VAL A 311 1.067 10.232 -2.692 1.00 0.00 H new ATOM 0 HG23 VAL A 311 -0.308 9.373 -3.424 1.00 0.00 H new ATOM 97 N CYS A 312 -1.933 7.414 -1.601 1.00 0.00 N ATOM 98 CA CYS A 312 -2.240 6.188 -2.388 1.00 0.00 C ATOM 99 C CYS A 312 -2.242 6.547 -3.874 1.00 0.00 C ATOM 100 O CYS A 312 -3.028 7.347 -4.326 1.00 0.00 O ATOM 101 CB CYS A 312 -3.615 5.655 -1.976 1.00 0.00 C ATOM 102 SG CYS A 312 -4.174 4.410 -3.165 1.00 0.00 S ATOM 0 H CYS A 312 -2.735 7.858 -1.154 1.00 0.00 H new ATOM 0 HA CYS A 312 -1.490 5.420 -2.199 1.00 0.00 H new ATOM 0 HB2 CYS A 312 -3.562 5.220 -0.978 1.00 0.00 H new ATOM 0 HB3 CYS A 312 -4.333 6.474 -1.929 1.00 0.00 H new ATOM 0 HG CYS A 312 -5.439 4.580 -3.409 1.00 0.00 H new ATOM 107 N LEU A 313 -1.357 5.972 -4.639 1.00 0.00 N ATOM 108 CA LEU A 313 -1.307 6.302 -6.088 1.00 0.00 C ATOM 109 C LEU A 313 -2.675 6.047 -6.723 1.00 0.00 C ATOM 110 O LEU A 313 -3.115 6.780 -7.587 1.00 0.00 O ATOM 111 CB LEU A 313 -0.258 5.421 -6.766 1.00 0.00 C ATOM 112 CG LEU A 313 1.096 5.612 -6.080 1.00 0.00 C ATOM 113 CD1 LEU A 313 2.160 4.792 -6.813 1.00 0.00 C ATOM 114 CD2 LEU A 313 1.484 7.092 -6.119 1.00 0.00 C ATOM 0 H LEU A 313 -0.668 5.289 -4.323 1.00 0.00 H new ATOM 0 HA LEU A 313 -1.044 7.352 -6.214 1.00 0.00 H new ATOM 0 HB2 LEU A 313 -0.559 4.375 -6.714 1.00 0.00 H new ATOM 0 HB3 LEU A 313 -0.181 5.678 -7.822 1.00 0.00 H new ATOM 0 HG LEU A 313 1.027 5.279 -5.044 1.00 0.00 H new ATOM 0 HD11 LEU A 313 3.125 4.928 -6.324 1.00 0.00 H new ATOM 0 HD12 LEU A 313 1.887 3.737 -6.789 1.00 0.00 H new ATOM 0 HD13 LEU A 313 2.227 5.126 -7.848 1.00 0.00 H new ATOM 0 HD21 LEU A 313 2.449 7.228 -5.630 1.00 0.00 H new ATOM 0 HD22 LEU A 313 1.552 7.423 -7.155 1.00 0.00 H new ATOM 0 HD23 LEU A 313 0.728 7.680 -5.599 1.00 0.00 H new ATOM 126 N LEU A 314 -3.347 5.009 -6.311 1.00 0.00 N ATOM 127 CA LEU A 314 -4.679 4.703 -6.897 1.00 0.00 C ATOM 128 C LEU A 314 -5.692 5.791 -6.523 1.00 0.00 C ATOM 129 O LEU A 314 -6.568 6.120 -7.300 1.00 0.00 O ATOM 130 CB LEU A 314 -5.146 3.335 -6.381 1.00 0.00 C ATOM 131 CG LEU A 314 -4.122 2.258 -6.769 1.00 0.00 C ATOM 132 CD1 LEU A 314 -4.667 0.880 -6.400 1.00 0.00 C ATOM 133 CD2 LEU A 314 -3.860 2.295 -8.278 1.00 0.00 C ATOM 0 H LEU A 314 -3.030 4.359 -5.592 1.00 0.00 H new ATOM 0 HA LEU A 314 -4.602 4.676 -7.984 1.00 0.00 H new ATOM 0 HB2 LEU A 314 -5.264 3.365 -5.298 1.00 0.00 H new ATOM 0 HB3 LEU A 314 -6.122 3.091 -6.801 1.00 0.00 H new ATOM 0 HG LEU A 314 -3.192 2.451 -6.234 1.00 0.00 H new ATOM 0 HD11 LEU A 314 -3.940 0.116 -6.675 1.00 0.00 H new ATOM 0 HD12 LEU A 314 -4.850 0.837 -5.326 1.00 0.00 H new ATOM 0 HD13 LEU A 314 -5.600 0.703 -6.935 1.00 0.00 H new ATOM 0 HD21 LEU A 314 -3.132 1.527 -8.540 1.00 0.00 H new ATOM 0 HD22 LEU A 314 -4.791 2.111 -8.814 1.00 0.00 H new ATOM 0 HD23 LEU A 314 -3.470 3.274 -8.556 1.00 0.00 H new ATOM 145 N CYS A 315 -5.590 6.353 -5.348 1.00 0.00 N ATOM 146 CA CYS A 315 -6.557 7.420 -4.941 1.00 0.00 C ATOM 147 C CYS A 315 -5.860 8.782 -4.922 1.00 0.00 C ATOM 148 O CYS A 315 -6.328 9.741 -5.504 1.00 0.00 O ATOM 149 CB CYS A 315 -7.092 7.120 -3.544 1.00 0.00 C ATOM 150 SG CYS A 315 -7.793 5.450 -3.503 1.00 0.00 S ATOM 0 H CYS A 315 -4.881 6.122 -4.652 1.00 0.00 H new ATOM 0 HA CYS A 315 -7.378 7.441 -5.658 1.00 0.00 H new ATOM 0 HB2 CYS A 315 -6.290 7.206 -2.811 1.00 0.00 H new ATOM 0 HB3 CYS A 315 -7.853 7.851 -3.271 1.00 0.00 H new ATOM 0 HG CYS A 315 -8.431 5.274 -2.384 1.00 0.00 H new ATOM 155 N GLY A 316 -4.749 8.871 -4.249 1.00 0.00 N ATOM 156 CA GLY A 316 -4.014 10.165 -4.172 1.00 0.00 C ATOM 157 C GLY A 316 -4.534 10.974 -2.983 1.00 0.00 C ATOM 158 O GLY A 316 -4.636 12.184 -3.040 1.00 0.00 O ATOM 0 H GLY A 316 -4.314 8.098 -3.745 1.00 0.00 H new ATOM 0 HA2 GLY A 316 -2.945 9.983 -4.062 1.00 0.00 H new ATOM 0 HA3 GLY A 316 -4.148 10.728 -5.096 1.00 0.00 H new ATOM 162 N SER A 317 -4.865 10.311 -1.907 1.00 0.00 N ATOM 163 CA SER A 317 -5.381 11.030 -0.707 1.00 0.00 C ATOM 164 C SER A 317 -4.371 10.918 0.439 1.00 0.00 C ATOM 165 O SER A 317 -3.584 9.994 0.500 1.00 0.00 O ATOM 166 CB SER A 317 -6.709 10.407 -0.276 1.00 0.00 C ATOM 167 OG SER A 317 -6.484 9.070 0.150 1.00 0.00 O ATOM 0 H SER A 317 -4.800 9.298 -1.808 1.00 0.00 H new ATOM 0 HA SER A 317 -5.530 12.081 -0.953 1.00 0.00 H new ATOM 0 HB2 SER A 317 -7.151 10.989 0.533 1.00 0.00 H new ATOM 0 HB3 SER A 317 -7.417 10.423 -1.104 1.00 0.00 H new ATOM 0 HG SER A 317 -7.323 8.566 0.104 1.00 0.00 H new ATOM 173 N GLY A 318 -4.387 11.857 1.346 1.00 0.00 N ATOM 174 CA GLY A 318 -3.431 11.819 2.489 1.00 0.00 C ATOM 175 C GLY A 318 -4.133 11.270 3.734 1.00 0.00 C ATOM 176 O GLY A 318 -3.590 10.460 4.455 1.00 0.00 O ATOM 0 H GLY A 318 -5.025 12.653 1.344 1.00 0.00 H new ATOM 0 HA2 GLY A 318 -2.574 11.194 2.238 1.00 0.00 H new ATOM 0 HA3 GLY A 318 -3.048 12.820 2.688 1.00 0.00 H new ATOM 180 N ASN A 319 -5.337 11.696 3.996 1.00 0.00 N ATOM 181 CA ASN A 319 -6.056 11.182 5.197 1.00 0.00 C ATOM 182 C ASN A 319 -6.041 9.654 5.176 1.00 0.00 C ATOM 183 O ASN A 319 -5.927 9.006 6.196 1.00 0.00 O ATOM 184 CB ASN A 319 -7.504 11.670 5.178 1.00 0.00 C ATOM 185 CG ASN A 319 -8.212 11.205 6.450 1.00 0.00 C ATOM 186 OD1 ASN A 319 -8.238 11.910 7.440 1.00 0.00 O ATOM 187 ND2 ASN A 319 -8.782 10.031 6.468 1.00 0.00 N ATOM 0 H ASN A 319 -5.853 12.374 3.435 1.00 0.00 H new ATOM 0 HA ASN A 319 -5.562 11.546 6.098 1.00 0.00 H new ATOM 0 HB2 ASN A 319 -7.532 12.757 5.110 1.00 0.00 H new ATOM 0 HB3 ASN A 319 -8.019 11.282 4.299 1.00 0.00 H new ATOM 0 HD21 ASN A 319 -9.250 9.704 7.313 1.00 0.00 H new ATOM 0 HD22 ASN A 319 -8.760 9.440 5.637 1.00 0.00 H new ATOM 194 N ASP A 320 -6.152 9.079 4.014 1.00 0.00 N ATOM 195 CA ASP A 320 -6.145 7.599 3.902 1.00 0.00 C ATOM 196 C ASP A 320 -4.772 7.065 4.319 1.00 0.00 C ATOM 197 O ASP A 320 -4.549 5.871 4.372 1.00 0.00 O ATOM 198 CB ASP A 320 -6.440 7.201 2.459 1.00 0.00 C ATOM 199 CG ASP A 320 -7.851 7.656 2.082 1.00 0.00 C ATOM 200 OD1 ASP A 320 -8.604 7.990 2.982 1.00 0.00 O ATOM 201 OD2 ASP A 320 -8.155 7.660 0.901 1.00 0.00 O ATOM 0 H ASP A 320 -6.248 9.577 3.129 1.00 0.00 H new ATOM 0 HA ASP A 320 -6.908 7.176 4.555 1.00 0.00 H new ATOM 0 HB2 ASP A 320 -5.709 7.654 1.789 1.00 0.00 H new ATOM 0 HB3 ASP A 320 -6.352 6.121 2.343 1.00 0.00 H new ATOM 206 N GLU A 321 -3.845 7.941 4.602 1.00 0.00 N ATOM 207 CA GLU A 321 -2.482 7.485 5.000 1.00 0.00 C ATOM 208 C GLU A 321 -2.591 6.444 6.115 1.00 0.00 C ATOM 209 O GLU A 321 -1.740 5.588 6.260 1.00 0.00 O ATOM 210 CB GLU A 321 -1.667 8.682 5.500 1.00 0.00 C ATOM 211 CG GLU A 321 -0.254 8.225 5.868 1.00 0.00 C ATOM 212 CD GLU A 321 0.530 9.405 6.446 1.00 0.00 C ATOM 213 OE1 GLU A 321 -0.047 10.474 6.561 1.00 0.00 O ATOM 214 OE2 GLU A 321 1.693 9.220 6.763 1.00 0.00 O ATOM 0 H GLU A 321 -3.973 8.953 4.575 1.00 0.00 H new ATOM 0 HA GLU A 321 -1.986 7.040 4.137 1.00 0.00 H new ATOM 0 HB2 GLU A 321 -1.622 9.451 4.729 1.00 0.00 H new ATOM 0 HB3 GLU A 321 -2.153 9.128 6.368 1.00 0.00 H new ATOM 0 HG2 GLU A 321 -0.300 7.414 6.595 1.00 0.00 H new ATOM 0 HG3 GLU A 321 0.254 7.834 4.987 1.00 0.00 H new ATOM 221 N ASP A 322 -3.626 6.503 6.902 1.00 0.00 N ATOM 222 CA ASP A 322 -3.778 5.511 8.003 1.00 0.00 C ATOM 223 C ASP A 322 -3.806 4.089 7.428 1.00 0.00 C ATOM 224 O ASP A 322 -3.265 3.169 8.008 1.00 0.00 O ATOM 225 CB ASP A 322 -5.081 5.782 8.756 1.00 0.00 C ATOM 226 CG ASP A 322 -5.133 4.915 10.015 1.00 0.00 C ATOM 227 OD1 ASP A 322 -4.156 4.239 10.285 1.00 0.00 O ATOM 228 OD2 ASP A 322 -6.150 4.945 10.689 1.00 0.00 O ATOM 0 H ASP A 322 -4.373 7.194 6.832 1.00 0.00 H new ATOM 0 HA ASP A 322 -2.934 5.603 8.686 1.00 0.00 H new ATOM 0 HB2 ASP A 322 -5.145 6.836 9.025 1.00 0.00 H new ATOM 0 HB3 ASP A 322 -5.936 5.564 8.116 1.00 0.00 H new ATOM 233 N ARG A 323 -4.441 3.899 6.300 1.00 0.00 N ATOM 234 CA ARG A 323 -4.510 2.531 5.702 1.00 0.00 C ATOM 235 C ARG A 323 -3.579 2.436 4.486 1.00 0.00 C ATOM 236 O ARG A 323 -3.511 1.422 3.822 1.00 0.00 O ATOM 237 CB ARG A 323 -5.946 2.237 5.264 1.00 0.00 C ATOM 238 CG ARG A 323 -6.137 0.726 5.115 1.00 0.00 C ATOM 239 CD ARG A 323 -7.541 0.437 4.586 1.00 0.00 C ATOM 240 NE ARG A 323 -8.553 0.964 5.544 1.00 0.00 N ATOM 241 CZ ARG A 323 -9.801 1.075 5.179 1.00 0.00 C ATOM 242 NH1 ARG A 323 -10.163 0.722 3.976 1.00 0.00 N ATOM 243 NH2 ARG A 323 -10.687 1.537 6.018 1.00 0.00 N ATOM 0 H ARG A 323 -4.914 4.630 5.768 1.00 0.00 H new ATOM 0 HA ARG A 323 -4.195 1.803 6.449 1.00 0.00 H new ATOM 0 HB2 ARG A 323 -6.649 2.632 5.997 1.00 0.00 H new ATOM 0 HB3 ARG A 323 -6.158 2.736 4.318 1.00 0.00 H new ATOM 0 HG2 ARG A 323 -5.390 0.320 4.433 1.00 0.00 H new ATOM 0 HG3 ARG A 323 -5.991 0.234 6.077 1.00 0.00 H new ATOM 0 HD2 ARG A 323 -7.675 0.900 3.608 1.00 0.00 H new ATOM 0 HD3 ARG A 323 -7.676 -0.636 4.452 1.00 0.00 H new ATOM 0 HE ARG A 323 -8.270 1.238 6.485 1.00 0.00 H new ATOM 0 HH11 ARG A 323 -9.470 0.359 3.321 1.00 0.00 H new ATOM 0 HH12 ARG A 323 -11.138 0.809 3.691 1.00 0.00 H new ATOM 0 HH21 ARG A 323 -10.404 1.811 6.959 1.00 0.00 H new ATOM 0 HH22 ARG A 323 -11.663 1.624 5.733 1.00 0.00 H new ATOM 257 N LEU A 324 -2.861 3.479 4.184 1.00 0.00 N ATOM 258 CA LEU A 324 -1.945 3.433 3.009 1.00 0.00 C ATOM 259 C LEU A 324 -0.822 2.434 3.274 1.00 0.00 C ATOM 260 O LEU A 324 -0.099 2.533 4.246 1.00 0.00 O ATOM 261 CB LEU A 324 -1.363 4.826 2.779 1.00 0.00 C ATOM 262 CG LEU A 324 -0.374 4.799 1.616 1.00 0.00 C ATOM 263 CD1 LEU A 324 -0.590 6.034 0.738 1.00 0.00 C ATOM 264 CD2 LEU A 324 1.056 4.810 2.167 1.00 0.00 C ATOM 0 H LEU A 324 -2.867 4.360 4.697 1.00 0.00 H new ATOM 0 HA LEU A 324 -2.494 3.118 2.122 1.00 0.00 H new ATOM 0 HB2 LEU A 324 -2.165 5.533 2.567 1.00 0.00 H new ATOM 0 HB3 LEU A 324 -0.863 5.173 3.683 1.00 0.00 H new ATOM 0 HG LEU A 324 -0.530 3.898 1.023 1.00 0.00 H new ATOM 0 HD11 LEU A 324 0.115 6.017 -0.093 1.00 0.00 H new ATOM 0 HD12 LEU A 324 -1.609 6.031 0.350 1.00 0.00 H new ATOM 0 HD13 LEU A 324 -0.430 6.934 1.331 1.00 0.00 H new ATOM 0 HD21 LEU A 324 1.765 4.791 1.339 1.00 0.00 H new ATOM 0 HD22 LEU A 324 1.212 5.713 2.757 1.00 0.00 H new ATOM 0 HD23 LEU A 324 1.210 3.934 2.797 1.00 0.00 H new ATOM 276 N LEU A 325 -0.682 1.462 2.414 1.00 0.00 N ATOM 277 CA LEU A 325 0.379 0.438 2.601 1.00 0.00 C ATOM 278 C LEU A 325 1.498 0.676 1.584 1.00 0.00 C ATOM 279 O LEU A 325 1.265 0.730 0.393 1.00 0.00 O ATOM 280 CB LEU A 325 -0.235 -0.950 2.379 1.00 0.00 C ATOM 281 CG LEU A 325 0.712 -2.046 2.889 1.00 0.00 C ATOM 282 CD1 LEU A 325 -0.096 -3.315 3.171 1.00 0.00 C ATOM 283 CD2 LEU A 325 1.788 -2.355 1.837 1.00 0.00 C ATOM 0 H LEU A 325 -1.262 1.335 1.585 1.00 0.00 H new ATOM 0 HA LEU A 325 0.792 0.503 3.608 1.00 0.00 H new ATOM 0 HB2 LEU A 325 -1.192 -1.018 2.897 1.00 0.00 H new ATOM 0 HB3 LEU A 325 -0.436 -1.100 1.318 1.00 0.00 H new ATOM 0 HG LEU A 325 1.198 -1.699 3.801 1.00 0.00 H new ATOM 0 HD11 LEU A 325 0.570 -4.098 3.534 1.00 0.00 H new ATOM 0 HD12 LEU A 325 -0.853 -3.104 3.927 1.00 0.00 H new ATOM 0 HD13 LEU A 325 -0.582 -3.648 2.254 1.00 0.00 H new ATOM 0 HD21 LEU A 325 2.452 -3.134 2.213 1.00 0.00 H new ATOM 0 HD22 LEU A 325 1.311 -2.697 0.918 1.00 0.00 H new ATOM 0 HD23 LEU A 325 2.366 -1.454 1.632 1.00 0.00 H new ATOM 295 N LEU A 326 2.712 0.809 2.042 1.00 0.00 N ATOM 296 CA LEU A 326 3.842 1.030 1.099 1.00 0.00 C ATOM 297 C LEU A 326 4.517 -0.309 0.810 1.00 0.00 C ATOM 298 O LEU A 326 4.821 -1.069 1.708 1.00 0.00 O ATOM 299 CB LEU A 326 4.852 1.998 1.725 1.00 0.00 C ATOM 300 CG LEU A 326 6.031 2.230 0.771 1.00 0.00 C ATOM 301 CD1 LEU A 326 5.570 3.048 -0.436 1.00 0.00 C ATOM 302 CD2 LEU A 326 7.132 2.998 1.508 1.00 0.00 C ATOM 0 H LEU A 326 2.970 0.774 3.028 1.00 0.00 H new ATOM 0 HA LEU A 326 3.469 1.459 0.169 1.00 0.00 H new ATOM 0 HB2 LEU A 326 4.365 2.947 1.949 1.00 0.00 H new ATOM 0 HB3 LEU A 326 5.215 1.594 2.670 1.00 0.00 H new ATOM 0 HG LEU A 326 6.413 1.268 0.430 1.00 0.00 H new ATOM 0 HD11 LEU A 326 6.412 3.209 -1.109 1.00 0.00 H new ATOM 0 HD12 LEU A 326 4.783 2.508 -0.962 1.00 0.00 H new ATOM 0 HD13 LEU A 326 5.186 4.011 -0.098 1.00 0.00 H new ATOM 0 HD21 LEU A 326 7.972 3.165 0.834 1.00 0.00 H new ATOM 0 HD22 LEU A 326 6.742 3.958 1.847 1.00 0.00 H new ATOM 0 HD23 LEU A 326 7.467 2.418 2.368 1.00 0.00 H new ATOM 314 N CYS A 327 4.753 -0.605 -0.435 1.00 0.00 N ATOM 315 CA CYS A 327 5.406 -1.895 -0.779 1.00 0.00 C ATOM 316 C CYS A 327 6.920 -1.749 -0.664 1.00 0.00 C ATOM 317 O CYS A 327 7.534 -0.991 -1.390 1.00 0.00 O ATOM 318 CB CYS A 327 5.046 -2.282 -2.211 1.00 0.00 C ATOM 319 SG CYS A 327 6.398 -3.244 -2.934 1.00 0.00 S ATOM 0 H CYS A 327 4.522 -0.009 -1.230 1.00 0.00 H new ATOM 0 HA CYS A 327 5.061 -2.668 -0.092 1.00 0.00 H new ATOM 0 HB2 CYS A 327 4.125 -2.865 -2.221 1.00 0.00 H new ATOM 0 HB3 CYS A 327 4.863 -1.387 -2.806 1.00 0.00 H new ATOM 0 HG CYS A 327 5.958 -3.906 -3.963 1.00 0.00 H new ATOM 324 N ASP A 328 7.520 -2.474 0.242 1.00 0.00 N ATOM 325 CA ASP A 328 8.997 -2.392 0.415 1.00 0.00 C ATOM 326 C ASP A 328 9.684 -2.783 -0.892 1.00 0.00 C ATOM 327 O ASP A 328 10.711 -2.241 -1.251 1.00 0.00 O ATOM 328 CB ASP A 328 9.434 -3.348 1.527 1.00 0.00 C ATOM 329 CG ASP A 328 8.887 -2.856 2.868 1.00 0.00 C ATOM 330 OD1 ASP A 328 8.422 -1.729 2.918 1.00 0.00 O ATOM 331 OD2 ASP A 328 8.941 -3.615 3.822 1.00 0.00 O ATOM 0 H ASP A 328 7.047 -3.122 0.872 1.00 0.00 H new ATOM 0 HA ASP A 328 9.276 -1.373 0.682 1.00 0.00 H new ATOM 0 HB2 ASP A 328 9.069 -4.354 1.320 1.00 0.00 H new ATOM 0 HB3 ASP A 328 10.522 -3.405 1.565 1.00 0.00 H new ATOM 336 N GLY A 329 9.127 -3.719 -1.611 1.00 0.00 N ATOM 337 CA GLY A 329 9.756 -4.137 -2.896 1.00 0.00 C ATOM 338 C GLY A 329 10.050 -2.892 -3.731 1.00 0.00 C ATOM 339 O GLY A 329 11.007 -2.842 -4.479 1.00 0.00 O ATOM 0 H GLY A 329 8.267 -4.210 -1.366 1.00 0.00 H new ATOM 0 HA2 GLY A 329 10.677 -4.688 -2.703 1.00 0.00 H new ATOM 0 HA3 GLY A 329 9.091 -4.808 -3.440 1.00 0.00 H new ATOM 343 N CYS A 330 9.237 -1.883 -3.602 1.00 0.00 N ATOM 344 CA CYS A 330 9.465 -0.632 -4.376 1.00 0.00 C ATOM 345 C CYS A 330 8.904 0.554 -3.586 1.00 0.00 C ATOM 346 O CYS A 330 8.901 0.554 -2.373 1.00 0.00 O ATOM 347 CB CYS A 330 8.767 -0.732 -5.736 1.00 0.00 C ATOM 348 SG CYS A 330 6.971 -0.697 -5.511 1.00 0.00 S ATOM 0 H CYS A 330 8.420 -1.870 -2.991 1.00 0.00 H new ATOM 0 HA CYS A 330 10.533 -0.488 -4.538 1.00 0.00 H new ATOM 0 HB2 CYS A 330 9.078 0.094 -6.376 1.00 0.00 H new ATOM 0 HB3 CYS A 330 9.061 -1.653 -6.239 1.00 0.00 H new ATOM 0 HG CYS A 330 6.627 -1.584 -4.625 1.00 0.00 H new ATOM 353 N ASP A 331 8.433 1.562 -4.265 1.00 0.00 N ATOM 354 CA ASP A 331 7.871 2.749 -3.560 1.00 0.00 C ATOM 355 C ASP A 331 6.378 2.853 -3.870 1.00 0.00 C ATOM 356 O ASP A 331 5.770 3.894 -3.717 1.00 0.00 O ATOM 357 CB ASP A 331 8.582 4.016 -4.043 1.00 0.00 C ATOM 358 CG ASP A 331 10.045 3.978 -3.602 1.00 0.00 C ATOM 359 OD1 ASP A 331 10.374 3.144 -2.774 1.00 0.00 O ATOM 360 OD2 ASP A 331 10.814 4.785 -4.100 1.00 0.00 O ATOM 0 H ASP A 331 8.413 1.616 -5.283 1.00 0.00 H new ATOM 0 HA ASP A 331 8.018 2.641 -2.485 1.00 0.00 H new ATOM 0 HB2 ASP A 331 8.520 4.089 -5.129 1.00 0.00 H new ATOM 0 HB3 ASP A 331 8.091 4.900 -3.635 1.00 0.00 H new ATOM 365 N ASP A 332 5.787 1.785 -4.328 1.00 0.00 N ATOM 366 CA ASP A 332 4.336 1.824 -4.678 1.00 0.00 C ATOM 367 C ASP A 332 3.483 1.851 -3.408 1.00 0.00 C ATOM 368 O ASP A 332 3.714 1.105 -2.476 1.00 0.00 O ATOM 369 CB ASP A 332 3.980 0.585 -5.500 1.00 0.00 C ATOM 370 CG ASP A 332 4.696 0.646 -6.851 1.00 0.00 C ATOM 371 OD1 ASP A 332 5.207 1.704 -7.181 1.00 0.00 O ATOM 372 OD2 ASP A 332 4.722 -0.365 -7.532 1.00 0.00 O ATOM 0 H ASP A 332 6.245 0.885 -4.476 1.00 0.00 H new ATOM 0 HA ASP A 332 4.136 2.725 -5.258 1.00 0.00 H new ATOM 0 HB2 ASP A 332 4.271 -0.317 -4.962 1.00 0.00 H new ATOM 0 HB3 ASP A 332 2.902 0.532 -5.650 1.00 0.00 H new ATOM 377 N SER A 333 2.491 2.703 -3.374 1.00 0.00 N ATOM 378 CA SER A 333 1.606 2.782 -2.178 1.00 0.00 C ATOM 379 C SER A 333 0.159 2.500 -2.589 1.00 0.00 C ATOM 380 O SER A 333 -0.328 3.009 -3.579 1.00 0.00 O ATOM 381 CB SER A 333 1.683 4.188 -1.587 1.00 0.00 C ATOM 382 OG SER A 333 3.027 4.475 -1.226 1.00 0.00 O ATOM 0 H SER A 333 2.257 3.349 -4.127 1.00 0.00 H new ATOM 0 HA SER A 333 1.930 2.047 -1.442 1.00 0.00 H new ATOM 0 HB2 SER A 333 1.325 4.919 -2.312 1.00 0.00 H new ATOM 0 HB3 SER A 333 1.036 4.263 -0.713 1.00 0.00 H new ATOM 0 HG SER A 333 3.190 5.438 -1.309 1.00 0.00 H new ATOM 388 N TYR A 334 -0.536 1.710 -1.821 1.00 0.00 N ATOM 389 CA TYR A 334 -1.959 1.406 -2.144 1.00 0.00 C ATOM 390 C TYR A 334 -2.688 1.014 -0.858 1.00 0.00 C ATOM 391 O TYR A 334 -2.074 0.581 0.097 1.00 0.00 O ATOM 392 CB TYR A 334 -2.026 0.259 -3.157 1.00 0.00 C ATOM 393 CG TYR A 334 -1.005 -0.794 -2.804 1.00 0.00 C ATOM 394 CD1 TYR A 334 -1.171 -1.575 -1.656 1.00 0.00 C ATOM 395 CD2 TYR A 334 0.110 -0.990 -3.629 1.00 0.00 C ATOM 396 CE1 TYR A 334 -0.223 -2.552 -1.330 1.00 0.00 C ATOM 397 CE2 TYR A 334 1.058 -1.966 -3.304 1.00 0.00 C ATOM 398 CZ TYR A 334 0.893 -2.748 -2.154 1.00 0.00 C ATOM 399 OH TYR A 334 1.829 -3.709 -1.833 1.00 0.00 O ATOM 0 H TYR A 334 -0.179 1.259 -0.979 1.00 0.00 H new ATOM 0 HA TYR A 334 -2.435 2.285 -2.579 1.00 0.00 H new ATOM 0 HB2 TYR A 334 -3.025 -0.177 -3.161 1.00 0.00 H new ATOM 0 HB3 TYR A 334 -1.839 0.638 -4.162 1.00 0.00 H new ATOM 0 HD1 TYR A 334 -2.031 -1.424 -1.020 1.00 0.00 H new ATOM 0 HD2 TYR A 334 0.238 -0.387 -4.516 1.00 0.00 H new ATOM 0 HE1 TYR A 334 -0.352 -3.155 -0.443 1.00 0.00 H new ATOM 0 HE2 TYR A 334 1.918 -2.117 -3.940 1.00 0.00 H new ATOM 0 HH TYR A 334 2.348 -3.414 -1.056 1.00 0.00 H new ATOM 409 N HIS A 335 -3.987 1.151 -0.813 1.00 0.00 N ATOM 410 CA HIS A 335 -4.710 0.765 0.430 1.00 0.00 C ATOM 411 C HIS A 335 -4.889 -0.754 0.446 1.00 0.00 C ATOM 412 O HIS A 335 -4.876 -1.399 -0.584 1.00 0.00 O ATOM 413 CB HIS A 335 -6.085 1.439 0.500 1.00 0.00 C ATOM 414 CG HIS A 335 -5.935 2.923 0.330 1.00 0.00 C ATOM 415 ND1 HIS A 335 -6.541 3.616 -0.709 1.00 0.00 N ATOM 416 CD2 HIS A 335 -5.261 3.864 1.067 1.00 0.00 C ATOM 417 CE1 HIS A 335 -6.223 4.915 -0.564 1.00 0.00 C ATOM 418 NE2 HIS A 335 -5.445 5.115 0.498 1.00 0.00 N ATOM 0 H HIS A 335 -4.569 1.508 -1.571 1.00 0.00 H new ATOM 0 HA HIS A 335 -4.126 1.090 1.291 1.00 0.00 H new ATOM 0 HB2 HIS A 335 -6.736 1.039 -0.277 1.00 0.00 H new ATOM 0 HB3 HIS A 335 -6.559 1.220 1.457 1.00 0.00 H new ATOM 0 HD1 HIS A 335 -7.120 3.214 -1.446 1.00 0.00 H new ATOM 0 HD2 HIS A 335 -4.678 3.662 1.953 1.00 0.00 H new ATOM 0 HE1 HIS A 335 -6.557 5.699 -1.227 1.00 0.00 H new ATOM 426 N THR A 336 -5.053 -1.331 1.602 1.00 0.00 N ATOM 427 CA THR A 336 -5.229 -2.805 1.680 1.00 0.00 C ATOM 428 C THR A 336 -6.477 -3.212 0.897 1.00 0.00 C ATOM 429 O THR A 336 -6.692 -4.375 0.623 1.00 0.00 O ATOM 430 CB THR A 336 -5.377 -3.214 3.143 1.00 0.00 C ATOM 431 OG1 THR A 336 -6.554 -2.627 3.682 1.00 0.00 O ATOM 432 CG2 THR A 336 -4.155 -2.735 3.929 1.00 0.00 C ATOM 0 H THR A 336 -5.073 -0.844 2.498 1.00 0.00 H new ATOM 0 HA THR A 336 -4.361 -3.304 1.250 1.00 0.00 H new ATOM 0 HB THR A 336 -5.451 -4.299 3.215 1.00 0.00 H new ATOM 0 HG1 THR A 336 -6.328 -2.127 4.494 1.00 0.00 H new ATOM 0 HG21 THR A 336 -4.258 -3.026 4.974 1.00 0.00 H new ATOM 0 HG22 THR A 336 -3.255 -3.188 3.513 1.00 0.00 H new ATOM 0 HG23 THR A 336 -4.080 -1.650 3.860 1.00 0.00 H new ATOM 440 N PHE A 337 -7.292 -2.261 0.529 1.00 0.00 N ATOM 441 CA PHE A 337 -8.526 -2.582 -0.242 1.00 0.00 C ATOM 442 C PHE A 337 -8.374 -2.063 -1.670 1.00 0.00 C ATOM 443 O PHE A 337 -9.198 -2.314 -2.527 1.00 0.00 O ATOM 444 CB PHE A 337 -9.733 -1.909 0.416 1.00 0.00 C ATOM 445 CG PHE A 337 -9.779 -0.454 0.018 1.00 0.00 C ATOM 446 CD1 PHE A 337 -9.095 0.499 0.778 1.00 0.00 C ATOM 447 CD2 PHE A 337 -10.504 -0.059 -1.113 1.00 0.00 C ATOM 448 CE1 PHE A 337 -9.134 1.849 0.411 1.00 0.00 C ATOM 449 CE2 PHE A 337 -10.544 1.291 -1.482 1.00 0.00 C ATOM 450 CZ PHE A 337 -9.860 2.245 -0.719 1.00 0.00 C ATOM 0 H PHE A 337 -7.155 -1.271 0.731 1.00 0.00 H new ATOM 0 HA PHE A 337 -8.677 -3.661 -0.255 1.00 0.00 H new ATOM 0 HB2 PHE A 337 -10.652 -2.409 0.111 1.00 0.00 H new ATOM 0 HB3 PHE A 337 -9.666 -1.998 1.500 1.00 0.00 H new ATOM 0 HD1 PHE A 337 -8.536 0.193 1.650 1.00 0.00 H new ATOM 0 HD2 PHE A 337 -11.032 -0.795 -1.700 1.00 0.00 H new ATOM 0 HE1 PHE A 337 -8.605 2.585 0.999 1.00 0.00 H new ATOM 0 HE2 PHE A 337 -11.102 1.596 -2.355 1.00 0.00 H new ATOM 0 HZ PHE A 337 -9.892 3.287 -1.002 1.00 0.00 H new ATOM 460 N CYS A 338 -7.325 -1.336 -1.930 1.00 0.00 N ATOM 461 CA CYS A 338 -7.111 -0.793 -3.298 1.00 0.00 C ATOM 462 C CYS A 338 -6.480 -1.863 -4.183 1.00 0.00 C ATOM 463 O CYS A 338 -7.077 -2.352 -5.120 1.00 0.00 O ATOM 464 CB CYS A 338 -6.161 0.406 -3.225 1.00 0.00 C ATOM 465 SG CYS A 338 -7.015 1.903 -3.778 1.00 0.00 S ATOM 0 H CYS A 338 -6.604 -1.094 -1.251 1.00 0.00 H new ATOM 0 HA CYS A 338 -8.070 -0.487 -3.715 1.00 0.00 H new ATOM 0 HB2 CYS A 338 -5.804 0.537 -2.203 1.00 0.00 H new ATOM 0 HB3 CYS A 338 -5.285 0.225 -3.848 1.00 0.00 H new ATOM 0 HG CYS A 338 -7.225 1.835 -5.059 1.00 0.00 H new ATOM 470 N LEU A 339 -5.260 -2.210 -3.895 1.00 0.00 N ATOM 471 CA LEU A 339 -4.549 -3.230 -4.710 1.00 0.00 C ATOM 472 C LEU A 339 -5.115 -4.624 -4.454 1.00 0.00 C ATOM 473 O LEU A 339 -5.222 -5.435 -5.353 1.00 0.00 O ATOM 474 CB LEU A 339 -3.069 -3.213 -4.330 1.00 0.00 C ATOM 475 CG LEU A 339 -2.288 -4.149 -5.253 1.00 0.00 C ATOM 476 CD1 LEU A 339 -2.240 -3.564 -6.666 1.00 0.00 C ATOM 477 CD2 LEU A 339 -0.865 -4.305 -4.716 1.00 0.00 C ATOM 0 H LEU A 339 -4.718 -1.826 -3.121 1.00 0.00 H new ATOM 0 HA LEU A 339 -4.680 -2.993 -5.766 1.00 0.00 H new ATOM 0 HB2 LEU A 339 -2.676 -2.199 -4.407 1.00 0.00 H new ATOM 0 HB3 LEU A 339 -2.947 -3.524 -3.293 1.00 0.00 H new ATOM 0 HG LEU A 339 -2.780 -5.121 -5.287 1.00 0.00 H new ATOM 0 HD11 LEU A 339 -1.682 -4.235 -7.319 1.00 0.00 H new ATOM 0 HD12 LEU A 339 -3.255 -3.448 -7.046 1.00 0.00 H new ATOM 0 HD13 LEU A 339 -1.749 -2.591 -6.641 1.00 0.00 H new ATOM 0 HD21 LEU A 339 -0.301 -4.971 -5.369 1.00 0.00 H new ATOM 0 HD22 LEU A 339 -0.379 -3.330 -4.685 1.00 0.00 H new ATOM 0 HD23 LEU A 339 -0.899 -4.725 -3.711 1.00 0.00 H new ATOM 489 N ILE A 340 -5.433 -4.925 -3.228 1.00 0.00 N ATOM 490 CA ILE A 340 -5.942 -6.278 -2.897 1.00 0.00 C ATOM 491 C ILE A 340 -7.237 -6.176 -2.078 1.00 0.00 C ATOM 492 O ILE A 340 -7.453 -5.211 -1.376 1.00 0.00 O ATOM 493 CB ILE A 340 -4.846 -6.972 -2.090 1.00 0.00 C ATOM 494 CG1 ILE A 340 -4.574 -6.165 -0.820 1.00 0.00 C ATOM 495 CG2 ILE A 340 -3.568 -7.038 -2.926 1.00 0.00 C ATOM 496 CD1 ILE A 340 -3.398 -6.783 -0.061 1.00 0.00 C ATOM 0 H ILE A 340 -5.361 -4.285 -2.437 1.00 0.00 H new ATOM 0 HA ILE A 340 -6.176 -6.843 -3.800 1.00 0.00 H new ATOM 0 HB ILE A 340 -5.165 -7.981 -1.827 1.00 0.00 H new ATOM 0 HG12 ILE A 340 -4.351 -5.129 -1.076 1.00 0.00 H new ATOM 0 HG13 ILE A 340 -5.462 -6.153 -0.188 1.00 0.00 H new ATOM 0 HG21 ILE A 340 -2.784 -7.533 -2.353 1.00 0.00 H new ATOM 0 HG22 ILE A 340 -3.760 -7.600 -3.840 1.00 0.00 H new ATOM 0 HG23 ILE A 340 -3.248 -6.028 -3.182 1.00 0.00 H new ATOM 0 HD11 ILE A 340 -3.206 -6.206 0.844 1.00 0.00 H new ATOM 0 HD12 ILE A 340 -3.639 -7.811 0.208 1.00 0.00 H new ATOM 0 HD13 ILE A 340 -2.511 -6.772 -0.694 1.00 0.00 H new ATOM 508 N PRO A 341 -8.098 -7.172 -2.163 1.00 0.00 N ATOM 509 CA PRO A 341 -9.387 -7.196 -1.413 1.00 0.00 C ATOM 510 C PRO A 341 -9.249 -6.757 0.056 1.00 0.00 C ATOM 511 O PRO A 341 -9.998 -5.920 0.514 1.00 0.00 O ATOM 512 CB PRO A 341 -9.863 -8.653 -1.491 1.00 0.00 C ATOM 513 CG PRO A 341 -8.869 -9.402 -2.325 1.00 0.00 C ATOM 514 CD PRO A 341 -7.940 -8.381 -2.982 1.00 0.00 C ATOM 0 HA PRO A 341 -10.090 -6.488 -1.851 1.00 0.00 H new ATOM 0 HB2 PRO A 341 -9.934 -9.088 -0.494 1.00 0.00 H new ATOM 0 HB3 PRO A 341 -10.857 -8.709 -1.935 1.00 0.00 H new ATOM 0 HG2 PRO A 341 -8.298 -10.095 -1.707 1.00 0.00 H new ATOM 0 HG3 PRO A 341 -9.379 -9.997 -3.083 1.00 0.00 H new ATOM 0 HD2 PRO A 341 -6.906 -8.727 -2.986 1.00 0.00 H new ATOM 0 HD3 PRO A 341 -8.219 -8.198 -4.020 1.00 0.00 H new ATOM 522 N PRO A 342 -8.309 -7.313 0.795 1.00 0.00 N ATOM 523 CA PRO A 342 -8.079 -6.967 2.221 1.00 0.00 C ATOM 524 C PRO A 342 -8.513 -5.545 2.607 1.00 0.00 C ATOM 525 O PRO A 342 -8.625 -4.662 1.785 1.00 0.00 O ATOM 526 CB PRO A 342 -6.570 -7.121 2.331 1.00 0.00 C ATOM 527 CG PRO A 342 -6.246 -8.285 1.447 1.00 0.00 C ATOM 528 CD PRO A 342 -7.355 -8.362 0.386 1.00 0.00 C ATOM 0 HA PRO A 342 -8.666 -7.592 2.894 1.00 0.00 H new ATOM 0 HB2 PRO A 342 -6.054 -6.218 2.004 1.00 0.00 H new ATOM 0 HB3 PRO A 342 -6.264 -7.307 3.360 1.00 0.00 H new ATOM 0 HG2 PRO A 342 -5.271 -8.154 0.978 1.00 0.00 H new ATOM 0 HG3 PRO A 342 -6.200 -9.208 2.025 1.00 0.00 H new ATOM 0 HD2 PRO A 342 -6.964 -8.179 -0.615 1.00 0.00 H new ATOM 0 HD3 PRO A 342 -7.825 -9.345 0.370 1.00 0.00 H new ATOM 536 N LEU A 343 -8.768 -5.339 3.869 1.00 0.00 N ATOM 537 CA LEU A 343 -9.214 -4.002 4.352 1.00 0.00 C ATOM 538 C LEU A 343 -8.352 -3.569 5.540 1.00 0.00 C ATOM 539 O LEU A 343 -7.635 -4.360 6.122 1.00 0.00 O ATOM 540 CB LEU A 343 -10.674 -4.088 4.806 1.00 0.00 C ATOM 541 CG LEU A 343 -11.545 -4.633 3.670 1.00 0.00 C ATOM 542 CD1 LEU A 343 -12.978 -4.814 4.171 1.00 0.00 C ATOM 543 CD2 LEU A 343 -11.543 -3.644 2.502 1.00 0.00 C ATOM 0 H LEU A 343 -8.685 -6.050 4.596 1.00 0.00 H new ATOM 0 HA LEU A 343 -9.116 -3.278 3.543 1.00 0.00 H new ATOM 0 HB2 LEU A 343 -10.754 -4.735 5.679 1.00 0.00 H new ATOM 0 HB3 LEU A 343 -11.029 -3.102 5.106 1.00 0.00 H new ATOM 0 HG LEU A 343 -11.146 -5.592 3.338 1.00 0.00 H new ATOM 0 HD11 LEU A 343 -13.599 -5.202 3.364 1.00 0.00 H new ATOM 0 HD12 LEU A 343 -12.986 -5.516 5.005 1.00 0.00 H new ATOM 0 HD13 LEU A 343 -13.372 -3.853 4.502 1.00 0.00 H new ATOM 0 HD21 LEU A 343 -12.163 -4.033 1.695 1.00 0.00 H new ATOM 0 HD22 LEU A 343 -11.941 -2.686 2.836 1.00 0.00 H new ATOM 0 HD23 LEU A 343 -10.523 -3.507 2.143 1.00 0.00 H new ATOM 555 N HIS A 344 -8.426 -2.321 5.910 1.00 0.00 N ATOM 556 CA HIS A 344 -7.624 -1.834 7.066 1.00 0.00 C ATOM 557 C HIS A 344 -6.149 -2.166 6.844 1.00 0.00 C ATOM 558 O HIS A 344 -5.787 -2.806 5.879 1.00 0.00 O ATOM 559 CB HIS A 344 -8.117 -2.515 8.343 1.00 0.00 C ATOM 560 CG HIS A 344 -9.578 -2.218 8.536 1.00 0.00 C ATOM 561 ND1 HIS A 344 -10.314 -2.765 9.578 1.00 0.00 N ATOM 562 CD2 HIS A 344 -10.458 -1.439 7.824 1.00 0.00 C ATOM 563 CE1 HIS A 344 -11.576 -2.311 9.466 1.00 0.00 C ATOM 564 NE2 HIS A 344 -11.714 -1.501 8.415 1.00 0.00 N ATOM 0 H HIS A 344 -9.009 -1.615 5.460 1.00 0.00 H new ATOM 0 HA HIS A 344 -7.738 -0.754 7.160 1.00 0.00 H new ATOM 0 HB2 HIS A 344 -7.959 -3.592 8.278 1.00 0.00 H new ATOM 0 HB3 HIS A 344 -7.546 -2.160 9.201 1.00 0.00 H new ATOM 0 HD2 HIS A 344 -10.212 -0.867 6.942 1.00 0.00 H new ATOM 0 HE1 HIS A 344 -12.377 -2.570 10.143 1.00 0.00 H new ATOM 0 HE2 HIS A 344 -12.564 -1.027 8.109 1.00 0.00 H new ATOM 573 N ASP A 345 -5.294 -1.731 7.729 1.00 0.00 N ATOM 574 CA ASP A 345 -3.842 -2.015 7.565 1.00 0.00 C ATOM 575 C ASP A 345 -3.525 -3.409 8.110 1.00 0.00 C ATOM 576 O ASP A 345 -3.685 -3.680 9.283 1.00 0.00 O ATOM 577 CB ASP A 345 -3.028 -0.971 8.333 1.00 0.00 C ATOM 578 CG ASP A 345 -1.539 -1.177 8.052 1.00 0.00 C ATOM 579 OD1 ASP A 345 -1.222 -2.005 7.213 1.00 0.00 O ATOM 580 OD2 ASP A 345 -0.738 -0.504 8.681 1.00 0.00 O ATOM 0 H ASP A 345 -5.539 -1.191 8.559 1.00 0.00 H new ATOM 0 HA ASP A 345 -3.584 -1.973 6.507 1.00 0.00 H new ATOM 0 HB2 ASP A 345 -3.330 0.033 8.034 1.00 0.00 H new ATOM 0 HB3 ASP A 345 -3.222 -1.057 9.402 1.00 0.00 H new ATOM 585 N VAL A 346 -3.074 -4.293 7.264 1.00 0.00 N ATOM 586 CA VAL A 346 -2.743 -5.668 7.722 1.00 0.00 C ATOM 587 C VAL A 346 -1.510 -5.615 8.637 1.00 0.00 C ATOM 588 O VAL A 346 -0.614 -4.823 8.423 1.00 0.00 O ATOM 589 CB VAL A 346 -2.444 -6.538 6.503 1.00 0.00 C ATOM 590 CG1 VAL A 346 -3.617 -6.468 5.523 1.00 0.00 C ATOM 591 CG2 VAL A 346 -1.175 -6.030 5.815 1.00 0.00 C ATOM 0 H VAL A 346 -2.920 -4.120 6.271 1.00 0.00 H new ATOM 0 HA VAL A 346 -3.582 -6.090 8.275 1.00 0.00 H new ATOM 0 HB VAL A 346 -2.299 -7.570 6.821 1.00 0.00 H new ATOM 0 HG11 VAL A 346 -3.402 -7.089 4.654 1.00 0.00 H new ATOM 0 HG12 VAL A 346 -4.522 -6.829 6.012 1.00 0.00 H new ATOM 0 HG13 VAL A 346 -3.764 -5.436 5.204 1.00 0.00 H new ATOM 0 HG21 VAL A 346 -0.960 -6.650 4.945 1.00 0.00 H new ATOM 0 HG22 VAL A 346 -1.321 -4.997 5.498 1.00 0.00 H new ATOM 0 HG23 VAL A 346 -0.338 -6.080 6.512 1.00 0.00 H new ATOM 601 N PRO A 347 -1.460 -6.443 9.655 1.00 0.00 N ATOM 602 CA PRO A 347 -0.312 -6.467 10.610 1.00 0.00 C ATOM 603 C PRO A 347 1.005 -6.849 9.927 1.00 0.00 C ATOM 604 O PRO A 347 1.044 -7.737 9.098 1.00 0.00 O ATOM 605 CB PRO A 347 -0.702 -7.524 11.649 1.00 0.00 C ATOM 606 CG PRO A 347 -1.773 -8.347 11.012 1.00 0.00 C ATOM 607 CD PRO A 347 -2.480 -7.445 10.004 1.00 0.00 C ATOM 0 HA PRO A 347 -0.138 -5.483 11.044 1.00 0.00 H new ATOM 0 HB2 PRO A 347 0.155 -8.140 11.920 1.00 0.00 H new ATOM 0 HB3 PRO A 347 -1.061 -7.057 12.566 1.00 0.00 H new ATOM 0 HG2 PRO A 347 -1.347 -9.220 10.518 1.00 0.00 H new ATOM 0 HG3 PRO A 347 -2.475 -8.715 11.761 1.00 0.00 H new ATOM 0 HD2 PRO A 347 -2.808 -8.004 9.128 1.00 0.00 H new ATOM 0 HD3 PRO A 347 -3.366 -6.980 10.436 1.00 0.00 H new ATOM 615 N LYS A 348 2.078 -6.186 10.283 1.00 0.00 N ATOM 616 CA LYS A 348 3.411 -6.489 9.674 1.00 0.00 C ATOM 617 C LYS A 348 3.246 -6.963 8.232 1.00 0.00 C ATOM 618 O LYS A 348 2.515 -6.384 7.455 1.00 0.00 O ATOM 619 CB LYS A 348 4.104 -7.583 10.477 1.00 0.00 C ATOM 620 CG LYS A 348 4.143 -7.194 11.950 1.00 0.00 C ATOM 621 CD LYS A 348 4.950 -5.905 12.135 1.00 0.00 C ATOM 622 CE LYS A 348 5.343 -5.760 13.606 1.00 0.00 C ATOM 623 NZ LYS A 348 4.267 -6.329 14.467 1.00 0.00 N ATOM 0 H LYS A 348 2.087 -5.439 10.978 1.00 0.00 H new ATOM 0 HA LYS A 348 4.011 -5.579 9.686 1.00 0.00 H new ATOM 0 HB2 LYS A 348 3.575 -8.528 10.355 1.00 0.00 H new ATOM 0 HB3 LYS A 348 5.117 -7.735 10.104 1.00 0.00 H new ATOM 0 HG2 LYS A 348 3.129 -7.054 12.324 1.00 0.00 H new ATOM 0 HG3 LYS A 348 4.590 -7.998 12.535 1.00 0.00 H new ATOM 0 HD2 LYS A 348 5.842 -5.928 11.509 1.00 0.00 H new ATOM 0 HD3 LYS A 348 4.360 -5.045 11.818 1.00 0.00 H new ATOM 0 HE2 LYS A 348 6.285 -6.276 13.794 1.00 0.00 H new ATOM 0 HE3 LYS A 348 5.501 -4.709 13.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 348 4.403 -6.011 15.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 348 3.340 -6.005 14.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 348 4.306 -7.368 14.431 1.00 0.00 H new ATOM 637 N GLY A 349 3.921 -8.023 7.877 1.00 0.00 N ATOM 638 CA GLY A 349 3.814 -8.557 6.488 1.00 0.00 C ATOM 639 C GLY A 349 3.769 -7.401 5.489 1.00 0.00 C ATOM 640 O GLY A 349 2.724 -6.847 5.211 1.00 0.00 O ATOM 0 H GLY A 349 4.545 -8.545 8.492 1.00 0.00 H new ATOM 0 HA2 GLY A 349 4.664 -9.204 6.271 1.00 0.00 H new ATOM 0 HA3 GLY A 349 2.916 -9.168 6.392 1.00 0.00 H new ATOM 644 N ASP A 350 4.893 -7.039 4.937 1.00 0.00 N ATOM 645 CA ASP A 350 4.905 -5.924 3.951 1.00 0.00 C ATOM 646 C ASP A 350 4.275 -6.412 2.648 1.00 0.00 C ATOM 647 O ASP A 350 4.719 -7.376 2.056 1.00 0.00 O ATOM 648 CB ASP A 350 6.349 -5.487 3.689 1.00 0.00 C ATOM 649 CG ASP A 350 6.354 -4.262 2.774 1.00 0.00 C ATOM 650 OD1 ASP A 350 6.208 -3.164 3.286 1.00 0.00 O ATOM 651 OD2 ASP A 350 6.503 -4.443 1.577 1.00 0.00 O ATOM 0 H ASP A 350 5.800 -7.465 5.125 1.00 0.00 H new ATOM 0 HA ASP A 350 4.340 -5.078 4.342 1.00 0.00 H new ATOM 0 HB2 ASP A 350 6.846 -5.253 4.631 1.00 0.00 H new ATOM 0 HB3 ASP A 350 6.908 -6.301 3.228 1.00 0.00 H new ATOM 656 N TRP A 351 3.238 -5.762 2.198 1.00 0.00 N ATOM 657 CA TRP A 351 2.583 -6.202 0.940 1.00 0.00 C ATOM 658 C TRP A 351 3.418 -5.729 -0.246 1.00 0.00 C ATOM 659 O TRP A 351 3.898 -4.614 -0.277 1.00 0.00 O ATOM 660 CB TRP A 351 1.175 -5.611 0.847 1.00 0.00 C ATOM 661 CG TRP A 351 0.341 -6.476 -0.042 1.00 0.00 C ATOM 662 CD1 TRP A 351 -0.107 -6.130 -1.271 1.00 0.00 C ATOM 663 CD2 TRP A 351 -0.149 -7.826 0.209 1.00 0.00 C ATOM 664 NE1 TRP A 351 -0.840 -7.183 -1.791 1.00 0.00 N ATOM 665 CE2 TRP A 351 -0.894 -8.251 -0.916 1.00 0.00 C ATOM 666 CE3 TRP A 351 -0.018 -8.714 1.292 1.00 0.00 C ATOM 667 CZ2 TRP A 351 -1.491 -9.512 -0.964 1.00 0.00 C ATOM 668 CZ3 TRP A 351 -0.617 -9.984 1.247 1.00 0.00 C ATOM 669 CH2 TRP A 351 -1.351 -10.381 0.121 1.00 0.00 C ATOM 0 H TRP A 351 2.819 -4.948 2.647 1.00 0.00 H new ATOM 0 HA TRP A 351 2.508 -7.289 0.930 1.00 0.00 H new ATOM 0 HB2 TRP A 351 0.727 -5.548 1.839 1.00 0.00 H new ATOM 0 HB3 TRP A 351 1.218 -4.596 0.452 1.00 0.00 H new ATOM 0 HD1 TRP A 351 0.077 -5.187 -1.765 1.00 0.00 H new ATOM 0 HE1 TRP A 351 -1.286 -7.172 -2.708 1.00 0.00 H new ATOM 0 HE3 TRP A 351 0.547 -8.418 2.164 1.00 0.00 H new ATOM 0 HZ2 TRP A 351 -2.057 -9.813 -1.833 1.00 0.00 H new ATOM 0 HZ3 TRP A 351 -0.511 -10.658 2.084 1.00 0.00 H new ATOM 0 HH2 TRP A 351 -1.808 -11.359 0.092 1.00 0.00 H new ATOM 680 N ARG A 352 3.608 -6.579 -1.210 1.00 0.00 N ATOM 681 CA ARG A 352 4.428 -6.211 -2.393 1.00 0.00 C ATOM 682 C ARG A 352 3.591 -6.311 -3.663 1.00 0.00 C ATOM 683 O ARG A 352 2.843 -7.249 -3.856 1.00 0.00 O ATOM 684 CB ARG A 352 5.611 -7.169 -2.482 1.00 0.00 C ATOM 685 CG ARG A 352 6.559 -6.908 -1.314 1.00 0.00 C ATOM 686 CD ARG A 352 7.737 -7.871 -1.407 1.00 0.00 C ATOM 687 NE ARG A 352 8.702 -7.590 -0.307 1.00 0.00 N ATOM 688 CZ ARG A 352 9.824 -8.254 -0.238 1.00 0.00 C ATOM 689 NH1 ARG A 352 10.100 -9.164 -1.131 1.00 0.00 N ATOM 690 NH2 ARG A 352 10.669 -8.007 0.725 1.00 0.00 N ATOM 0 H ARG A 352 3.226 -7.525 -1.230 1.00 0.00 H new ATOM 0 HA ARG A 352 4.782 -5.185 -2.289 1.00 0.00 H new ATOM 0 HB2 ARG A 352 5.261 -8.201 -2.458 1.00 0.00 H new ATOM 0 HB3 ARG A 352 6.135 -7.032 -3.428 1.00 0.00 H new ATOM 0 HG2 ARG A 352 6.912 -5.877 -1.339 1.00 0.00 H new ATOM 0 HG3 ARG A 352 6.036 -7.043 -0.367 1.00 0.00 H new ATOM 0 HD2 ARG A 352 7.384 -8.900 -1.340 1.00 0.00 H new ATOM 0 HD3 ARG A 352 8.231 -7.765 -2.373 1.00 0.00 H new ATOM 0 HE ARG A 352 8.486 -6.879 0.392 1.00 0.00 H new ATOM 0 HH11 ARG A 352 9.439 -9.357 -1.884 1.00 0.00 H new ATOM 0 HH12 ARG A 352 10.977 -9.682 -1.077 1.00 0.00 H new ATOM 0 HH21 ARG A 352 10.453 -7.296 1.423 1.00 0.00 H new ATOM 0 HH22 ARG A 352 11.546 -8.525 0.780 1.00 0.00 H new ATOM 704 N CYS A 353 3.719 -5.353 -4.534 1.00 0.00 N ATOM 705 CA CYS A 353 2.941 -5.391 -5.795 1.00 0.00 C ATOM 706 C CYS A 353 3.365 -6.644 -6.574 1.00 0.00 C ATOM 707 O CYS A 353 4.469 -7.127 -6.416 1.00 0.00 O ATOM 708 CB CYS A 353 3.237 -4.130 -6.612 1.00 0.00 C ATOM 709 SG CYS A 353 3.878 -2.832 -5.526 1.00 0.00 S ATOM 0 H CYS A 353 4.331 -4.544 -4.425 1.00 0.00 H new ATOM 0 HA CYS A 353 1.871 -5.426 -5.590 1.00 0.00 H new ATOM 0 HB2 CYS A 353 3.963 -4.354 -7.394 1.00 0.00 H new ATOM 0 HB3 CYS A 353 2.330 -3.786 -7.109 1.00 0.00 H new ATOM 0 HG CYS A 353 5.169 -2.755 -5.657 1.00 0.00 H new ATOM 714 N PRO A 354 2.489 -7.194 -7.375 1.00 0.00 N ATOM 715 CA PRO A 354 2.779 -8.440 -8.143 1.00 0.00 C ATOM 716 C PRO A 354 4.114 -8.385 -8.896 1.00 0.00 C ATOM 717 O PRO A 354 4.856 -9.348 -8.916 1.00 0.00 O ATOM 718 CB PRO A 354 1.612 -8.560 -9.136 1.00 0.00 C ATOM 719 CG PRO A 354 0.799 -7.309 -8.999 1.00 0.00 C ATOM 720 CD PRO A 354 1.138 -6.696 -7.643 1.00 0.00 C ATOM 0 HA PRO A 354 2.869 -9.295 -7.472 1.00 0.00 H new ATOM 0 HB2 PRO A 354 1.981 -8.672 -10.155 1.00 0.00 H new ATOM 0 HB3 PRO A 354 1.007 -9.440 -8.918 1.00 0.00 H new ATOM 0 HG2 PRO A 354 1.028 -6.611 -9.805 1.00 0.00 H new ATOM 0 HG3 PRO A 354 -0.266 -7.533 -9.064 1.00 0.00 H new ATOM 0 HD2 PRO A 354 1.110 -5.607 -7.676 1.00 0.00 H new ATOM 0 HD3 PRO A 354 0.434 -7.010 -6.873 1.00 0.00 H new ATOM 728 N LYS A 355 4.446 -7.275 -9.493 1.00 0.00 N ATOM 729 CA LYS A 355 5.750 -7.195 -10.214 1.00 0.00 C ATOM 730 C LYS A 355 6.884 -7.358 -9.208 1.00 0.00 C ATOM 731 O LYS A 355 7.904 -7.959 -9.486 1.00 0.00 O ATOM 732 CB LYS A 355 5.878 -5.838 -10.904 1.00 0.00 C ATOM 733 CG LYS A 355 5.790 -4.734 -9.854 1.00 0.00 C ATOM 734 CD LYS A 355 5.825 -3.368 -10.540 1.00 0.00 C ATOM 735 CE LYS A 355 6.011 -2.273 -9.489 1.00 0.00 C ATOM 736 NZ LYS A 355 5.473 -2.742 -8.180 1.00 0.00 N ATOM 0 H LYS A 355 3.879 -6.427 -9.514 1.00 0.00 H new ATOM 0 HA LYS A 355 5.800 -7.984 -10.964 1.00 0.00 H new ATOM 0 HB2 LYS A 355 6.827 -5.775 -11.437 1.00 0.00 H new ATOM 0 HB3 LYS A 355 5.087 -5.717 -11.645 1.00 0.00 H new ATOM 0 HG2 LYS A 355 4.871 -4.839 -9.278 1.00 0.00 H new ATOM 0 HG3 LYS A 355 6.619 -4.820 -9.151 1.00 0.00 H new ATOM 0 HD2 LYS A 355 6.639 -3.334 -11.264 1.00 0.00 H new ATOM 0 HD3 LYS A 355 4.900 -3.203 -11.092 1.00 0.00 H new ATOM 0 HE2 LYS A 355 7.068 -2.024 -9.391 1.00 0.00 H new ATOM 0 HE3 LYS A 355 5.497 -1.364 -9.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 355 5.364 -1.931 -7.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 355 4.548 -3.194 -8.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 355 6.132 -3.429 -7.760 1.00 0.00 H new ATOM 750 N CYS A 356 6.708 -6.816 -8.039 1.00 0.00 N ATOM 751 CA CYS A 356 7.756 -6.913 -6.994 1.00 0.00 C ATOM 752 C CYS A 356 7.845 -8.350 -6.482 1.00 0.00 C ATOM 753 O CYS A 356 8.910 -8.843 -6.170 1.00 0.00 O ATOM 754 CB CYS A 356 7.388 -5.967 -5.852 1.00 0.00 C ATOM 755 SG CYS A 356 7.388 -4.267 -6.472 1.00 0.00 S ATOM 0 H CYS A 356 5.871 -6.303 -7.761 1.00 0.00 H new ATOM 0 HA CYS A 356 8.726 -6.634 -7.406 1.00 0.00 H new ATOM 0 HB2 CYS A 356 6.406 -6.222 -5.453 1.00 0.00 H new ATOM 0 HB3 CYS A 356 8.101 -6.069 -5.034 1.00 0.00 H new ATOM 0 HG CYS A 356 7.109 -3.451 -5.500 1.00 0.00 H new ATOM 760 N LEU A 357 6.734 -9.025 -6.390 1.00 0.00 N ATOM 761 CA LEU A 357 6.756 -10.430 -5.896 1.00 0.00 C ATOM 762 C LEU A 357 7.634 -11.282 -6.814 1.00 0.00 C ATOM 763 O LEU A 357 8.341 -12.164 -6.369 1.00 0.00 O ATOM 764 CB LEU A 357 5.331 -10.986 -5.883 1.00 0.00 C ATOM 765 CG LEU A 357 5.330 -12.390 -5.272 1.00 0.00 C ATOM 766 CD1 LEU A 357 5.648 -12.307 -3.775 1.00 0.00 C ATOM 767 CD2 LEU A 357 3.951 -13.024 -5.462 1.00 0.00 C ATOM 0 H LEU A 357 5.812 -8.665 -6.635 1.00 0.00 H new ATOM 0 HA LEU A 357 7.164 -10.455 -4.885 1.00 0.00 H new ATOM 0 HB2 LEU A 357 4.679 -10.328 -5.308 1.00 0.00 H new ATOM 0 HB3 LEU A 357 4.934 -11.020 -6.898 1.00 0.00 H new ATOM 0 HG LEU A 357 6.087 -12.998 -5.767 1.00 0.00 H new ATOM 0 HD11 LEU A 357 5.646 -13.309 -3.346 1.00 0.00 H new ATOM 0 HD12 LEU A 357 6.630 -11.855 -3.636 1.00 0.00 H new ATOM 0 HD13 LEU A 357 4.895 -11.697 -3.276 1.00 0.00 H new ATOM 0 HD21 LEU A 357 3.947 -14.024 -5.028 1.00 0.00 H new ATOM 0 HD22 LEU A 357 3.197 -12.411 -4.968 1.00 0.00 H new ATOM 0 HD23 LEU A 357 3.724 -13.090 -6.526 1.00 0.00 H new ATOM 779 N ALA A 358 7.596 -11.024 -8.091 1.00 0.00 N ATOM 780 CA ALA A 358 8.429 -11.820 -9.036 1.00 0.00 C ATOM 781 C ALA A 358 9.910 -11.618 -8.705 1.00 0.00 C ATOM 782 O ALA A 358 10.715 -12.518 -8.844 1.00 0.00 O ATOM 783 CB ALA A 358 8.160 -11.356 -10.469 1.00 0.00 C ATOM 0 H ALA A 358 7.025 -10.297 -8.522 1.00 0.00 H new ATOM 0 HA ALA A 358 8.176 -12.876 -8.942 1.00 0.00 H new ATOM 0 HB1 ALA A 358 8.769 -11.938 -11.160 1.00 0.00 H new ATOM 0 HB2 ALA A 358 7.106 -11.499 -10.706 1.00 0.00 H new ATOM 0 HB3 ALA A 358 8.413 -10.300 -10.563 1.00 0.00 H new ATOM 789 N GLN A 359 10.272 -10.445 -8.267 1.00 0.00 N ATOM 790 CA GLN A 359 11.699 -10.184 -7.925 1.00 0.00 C ATOM 791 C GLN A 359 12.143 -11.143 -6.819 1.00 0.00 C ATOM 792 O GLN A 359 13.277 -11.579 -6.780 1.00 0.00 O ATOM 793 CB GLN A 359 11.853 -8.740 -7.443 1.00 0.00 C ATOM 794 CG GLN A 359 11.527 -7.782 -8.589 1.00 0.00 C ATOM 795 CD GLN A 359 11.632 -6.338 -8.092 1.00 0.00 C ATOM 796 OE1 GLN A 359 11.624 -6.090 -6.903 1.00 0.00 O ATOM 797 NE2 GLN A 359 11.732 -5.369 -8.960 1.00 0.00 N ATOM 0 H GLN A 359 9.642 -9.655 -8.131 1.00 0.00 H new ATOM 0 HA GLN A 359 12.318 -10.339 -8.809 1.00 0.00 H new ATOM 0 HB2 GLN A 359 11.188 -8.554 -6.599 1.00 0.00 H new ATOM 0 HB3 GLN A 359 12.870 -8.570 -7.091 1.00 0.00 H new ATOM 0 HG2 GLN A 359 12.215 -7.943 -9.419 1.00 0.00 H new ATOM 0 HG3 GLN A 359 10.523 -7.976 -8.965 1.00 0.00 H new ATOM 0 HE21 GLN A 359 11.739 -5.577 -9.958 1.00 0.00 H new ATOM 0 HE22 GLN A 359 11.803 -4.403 -8.640 1.00 0.00 H new ATOM 806 N GLU A 360 11.258 -11.474 -5.920 1.00 0.00 N ATOM 807 CA GLU A 360 11.628 -12.404 -4.818 1.00 0.00 C ATOM 808 C GLU A 360 13.004 -12.023 -4.270 1.00 0.00 C ATOM 809 O GLU A 360 13.988 -12.523 -4.791 1.00 0.00 O ATOM 810 CB GLU A 360 11.669 -13.836 -5.352 1.00 0.00 C ATOM 811 CG GLU A 360 11.926 -14.806 -4.196 1.00 0.00 C ATOM 812 CD GLU A 360 12.069 -16.227 -4.743 1.00 0.00 C ATOM 813 OE1 GLU A 360 11.989 -16.387 -5.950 1.00 0.00 O ATOM 814 OE2 GLU A 360 12.255 -17.131 -3.947 1.00 0.00 O ATOM 815 OXT GLU A 360 13.053 -11.239 -3.336 1.00 0.00 O ATOM 0 H GLU A 360 10.294 -11.140 -5.901 1.00 0.00 H new ATOM 0 HA GLU A 360 10.888 -12.335 -4.020 1.00 0.00 H new ATOM 0 HB2 GLU A 360 10.726 -14.080 -5.842 1.00 0.00 H new ATOM 0 HB3 GLU A 360 12.453 -13.933 -6.103 1.00 0.00 H new ATOM 0 HG2 GLU A 360 12.831 -14.518 -3.661 1.00 0.00 H new ATOM 0 HG3 GLU A 360 11.105 -14.761 -3.481 1.00 0.00 H new