USER MOD reduce.3.24.130724 H: found=0, std=0, add=304, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 305 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 421 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 422 THR OG1 : rot 180:sc= 0 USER MOD Single : A 384 SER OG : rot 180:sc= 0 USER MOD Single : A 390 ASN : amide:sc= -0.735! K(o=-0.73!,f=-0.052) USER MOD Single : A 391 LYS NZ :NH3+ -129:sc= 0.0577 (180deg=-0.103) USER MOD Single : A 393 THR OG1 : rot 180:sc= 0 USER MOD Single : A 397 LYS NZ :NH3+ -165:sc= 1.3 (180deg=1.1) USER MOD Single : A 399 SER OG : rot -80:sc= 0.5 USER MOD Single : A 402 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 405 SER OG : rot 180:sc= 0 USER MOD Single : A 407 HIS : no HD1:sc= -0.796 K(o=-0.8,f=-1.8) USER MOD Single : A 408 LYS NZ :NH3+ 136:sc= 1.07 (180deg=-0.131) USER MOD Single : A 411 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 415 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 416 ASN : amide:sc= -0.182 K(o=-0.18,f=-1.5) USER MOD Single : A 418 GLN : amide:sc= 0.0774 X(o=0.077,f=-0.015) USER MOD Single : A 420 ASN : amide:sc= -4.12! C(o=-4.1!,f=-5.6!) USER MOD Single : A 423 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 32 N SER A 384 -7.254 10.710 1.183 1.00 0.00 N ATOM 33 CA SER A 384 -6.779 10.084 -0.046 1.00 0.00 C ATOM 34 C SER A 384 -6.223 8.687 0.232 1.00 0.00 C ATOM 35 O SER A 384 -5.262 8.522 0.983 1.00 0.00 O ATOM 36 CB SER A 384 -5.718 10.949 -0.739 1.00 0.00 C ATOM 37 OG SER A 384 -5.292 10.357 -1.955 1.00 0.00 O ATOM 0 HA SER A 384 -7.633 9.991 -0.717 1.00 0.00 H new ATOM 0 HB2 SER A 384 -6.125 11.941 -0.937 1.00 0.00 H new ATOM 0 HB3 SER A 384 -4.863 11.082 -0.076 1.00 0.00 H new ATOM 0 HG SER A 384 -4.617 10.928 -2.378 1.00 0.00 H new ATOM 43 N PRO A 385 -6.812 7.660 -0.397 1.00 0.00 N ATOM 44 CA PRO A 385 -6.376 6.272 -0.224 1.00 0.00 C ATOM 45 C PRO A 385 -4.922 6.074 -0.631 1.00 0.00 C ATOM 46 O PRO A 385 -4.161 5.411 0.068 1.00 0.00 O ATOM 47 CB PRO A 385 -7.300 5.478 -1.149 1.00 0.00 C ATOM 48 CG PRO A 385 -8.473 6.366 -1.378 1.00 0.00 C ATOM 49 CD PRO A 385 -7.944 7.768 -1.328 1.00 0.00 C ATOM 0 HA PRO A 385 -6.432 5.958 0.818 1.00 0.00 H new ATOM 0 HB2 PRO A 385 -6.802 5.232 -2.087 1.00 0.00 H new ATOM 0 HB3 PRO A 385 -7.602 4.536 -0.691 1.00 0.00 H new ATOM 0 HG2 PRO A 385 -8.938 6.158 -2.342 1.00 0.00 H new ATOM 0 HG3 PRO A 385 -9.236 6.209 -0.616 1.00 0.00 H new ATOM 0 HD2 PRO A 385 -7.626 8.115 -2.311 1.00 0.00 H new ATOM 0 HD3 PRO A 385 -8.696 8.471 -0.969 1.00 0.00 H new ATOM 57 N GLU A 386 -4.533 6.698 -1.739 1.00 0.00 N ATOM 58 CA GLU A 386 -3.162 6.617 -2.226 1.00 0.00 C ATOM 59 C GLU A 386 -2.185 7.147 -1.186 1.00 0.00 C ATOM 60 O GLU A 386 -1.219 6.470 -0.822 1.00 0.00 O ATOM 61 CB GLU A 386 -3.016 7.411 -3.523 1.00 0.00 C ATOM 62 CG GLU A 386 -1.600 7.426 -4.073 1.00 0.00 C ATOM 63 CD GLU A 386 -1.463 8.331 -5.272 1.00 0.00 C ATOM 64 OE1 GLU A 386 -1.755 9.538 -5.141 1.00 0.00 O ATOM 65 OE2 GLU A 386 -1.065 7.843 -6.349 1.00 0.00 O ATOM 0 H GLU A 386 -5.151 7.267 -2.317 1.00 0.00 H new ATOM 0 HA GLU A 386 -2.931 5.569 -2.417 1.00 0.00 H new ATOM 0 HB2 GLU A 386 -3.684 6.989 -4.274 1.00 0.00 H new ATOM 0 HB3 GLU A 386 -3.340 8.437 -3.349 1.00 0.00 H new ATOM 0 HG2 GLU A 386 -0.913 7.753 -3.293 1.00 0.00 H new ATOM 0 HG3 GLU A 386 -1.309 6.413 -4.350 1.00 0.00 H new ATOM 72 N ALA A 387 -2.475 8.339 -0.675 1.00 0.00 N ATOM 73 CA ALA A 387 -1.648 8.961 0.344 1.00 0.00 C ATOM 74 C ALA A 387 -1.642 8.127 1.620 1.00 0.00 C ATOM 75 O ALA A 387 -0.606 7.977 2.264 1.00 0.00 O ATOM 76 CB ALA A 387 -2.128 10.376 0.626 1.00 0.00 C ATOM 0 H ALA A 387 -3.284 8.894 -0.955 1.00 0.00 H new ATOM 0 HA ALA A 387 -0.625 9.013 -0.029 1.00 0.00 H new ATOM 0 HB1 ALA A 387 -1.498 10.828 1.392 1.00 0.00 H new ATOM 0 HB2 ALA A 387 -2.071 10.968 -0.287 1.00 0.00 H new ATOM 0 HB3 ALA A 387 -3.160 10.347 0.976 1.00 0.00 H new ATOM 82 N GLU A 388 -2.802 7.580 1.966 1.00 0.00 N ATOM 83 CA GLU A 388 -2.934 6.738 3.148 1.00 0.00 C ATOM 84 C GLU A 388 -2.123 5.456 3.008 1.00 0.00 C ATOM 85 O GLU A 388 -1.459 5.035 3.956 1.00 0.00 O ATOM 86 CB GLU A 388 -4.400 6.420 3.419 1.00 0.00 C ATOM 87 CG GLU A 388 -5.134 7.559 4.104 1.00 0.00 C ATOM 88 CD GLU A 388 -4.514 7.909 5.440 1.00 0.00 C ATOM 89 OE1 GLU A 388 -4.488 7.034 6.331 1.00 0.00 O ATOM 90 OE2 GLU A 388 -4.041 9.053 5.604 1.00 0.00 O ATOM 0 H GLU A 388 -3.668 7.706 1.442 1.00 0.00 H new ATOM 0 HA GLU A 388 -2.537 7.292 3.999 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -4.897 6.189 2.477 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -4.464 5.527 4.041 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -5.124 8.437 3.458 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -6.178 7.282 4.250 1.00 0.00 H new ATOM 97 N CYS A 389 -2.144 4.858 1.824 1.00 0.00 N ATOM 98 CA CYS A 389 -1.350 3.669 1.560 1.00 0.00 C ATOM 99 C CYS A 389 0.136 3.989 1.675 1.00 0.00 C ATOM 100 O CYS A 389 0.886 3.258 2.314 1.00 0.00 O ATOM 101 CB CYS A 389 -1.660 3.120 0.169 1.00 0.00 C ATOM 102 SG CYS A 389 -3.361 2.495 -0.027 1.00 0.00 S ATOM 0 H CYS A 389 -2.702 5.178 1.033 1.00 0.00 H new ATOM 0 HA CYS A 389 -1.606 2.912 2.301 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -1.487 3.906 -0.566 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -0.961 2.314 -0.055 1.00 0.00 H new ATOM 107 N ASN A 390 0.536 5.130 1.114 1.00 0.00 N ATOM 108 CA ASN A 390 1.929 5.585 1.170 1.00 0.00 C ATOM 109 C ASN A 390 2.425 5.701 2.608 1.00 0.00 C ATOM 110 O ASN A 390 3.616 5.537 2.875 1.00 0.00 O ATOM 111 CB ASN A 390 2.080 6.935 0.465 1.00 0.00 C ATOM 112 CG ASN A 390 1.979 6.842 -1.049 1.00 0.00 C ATOM 113 OD1 ASN A 390 1.881 7.860 -1.735 1.00 0.00 O ATOM 114 ND2 ASN A 390 2.035 5.634 -1.594 1.00 0.00 N ATOM 0 H ASN A 390 -0.088 5.761 0.612 1.00 0.00 H new ATOM 0 HA ASN A 390 2.536 4.838 0.658 1.00 0.00 H new ATOM 0 HB2 ASN A 390 1.311 7.616 0.832 1.00 0.00 H new ATOM 0 HB3 ASN A 390 3.044 7.369 0.731 1.00 0.00 H new ATOM 0 HD21 ASN A 390 1.997 5.530 -2.608 1.00 0.00 H new ATOM 0 HD22 ASN A 390 2.116 4.809 -0.999 1.00 0.00 H new ATOM 121 N LYS A 391 1.513 6.010 3.523 1.00 0.00 N ATOM 122 CA LYS A 391 1.852 6.152 4.936 1.00 0.00 C ATOM 123 C LYS A 391 2.370 4.836 5.519 1.00 0.00 C ATOM 124 O LYS A 391 3.234 4.833 6.397 1.00 0.00 O ATOM 125 CB LYS A 391 0.634 6.617 5.739 1.00 0.00 C ATOM 126 CG LYS A 391 0.091 7.975 5.323 1.00 0.00 C ATOM 127 CD LYS A 391 1.112 9.082 5.526 1.00 0.00 C ATOM 128 CE LYS A 391 0.516 10.450 5.231 1.00 0.00 C ATOM 129 NZ LYS A 391 0.030 10.558 3.829 1.00 0.00 N ATOM 0 H LYS A 391 0.528 6.168 3.311 1.00 0.00 H new ATOM 0 HA LYS A 391 2.641 6.901 5.007 1.00 0.00 H new ATOM 0 HB2 LYS A 391 -0.158 5.875 5.637 1.00 0.00 H new ATOM 0 HB3 LYS A 391 0.902 6.654 6.795 1.00 0.00 H new ATOM 0 HG2 LYS A 391 -0.204 7.942 4.274 1.00 0.00 H new ATOM 0 HG3 LYS A 391 -0.806 8.199 5.900 1.00 0.00 H new ATOM 0 HD2 LYS A 391 1.478 9.057 6.552 1.00 0.00 H new ATOM 0 HD3 LYS A 391 1.971 8.910 4.877 1.00 0.00 H new ATOM 0 HE2 LYS A 391 -0.310 10.641 5.916 1.00 0.00 H new ATOM 0 HE3 LYS A 391 1.266 11.219 5.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 391 0.423 11.415 3.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 391 0.335 9.722 3.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 391 -1.009 10.612 3.825 1.00 0.00 H new ATOM 143 N ILE A 392 1.804 3.728 5.056 1.00 0.00 N ATOM 144 CA ILE A 392 2.174 2.403 5.545 1.00 0.00 C ATOM 145 C ILE A 392 3.547 1.992 5.010 1.00 0.00 C ATOM 146 O ILE A 392 3.858 2.215 3.841 1.00 0.00 O ATOM 147 CB ILE A 392 1.132 1.339 5.131 1.00 0.00 C ATOM 148 CG1 ILE A 392 -0.283 1.788 5.519 1.00 0.00 C ATOM 149 CG2 ILE A 392 1.454 -0.005 5.768 1.00 0.00 C ATOM 150 CD1 ILE A 392 -0.468 2.025 7.004 1.00 0.00 C ATOM 0 H ILE A 392 1.081 3.720 4.337 1.00 0.00 H new ATOM 0 HA ILE A 392 2.208 2.460 6.633 1.00 0.00 H new ATOM 0 HB ILE A 392 1.174 1.226 4.048 1.00 0.00 H new ATOM 0 HG12 ILE A 392 -0.522 2.706 4.982 1.00 0.00 H new ATOM 0 HG13 ILE A 392 -0.996 1.032 5.190 1.00 0.00 H new ATOM 0 HG21 ILE A 392 0.709 -0.740 5.464 1.00 0.00 H new ATOM 0 HG22 ILE A 392 2.441 -0.334 5.444 1.00 0.00 H new ATOM 0 HG23 ILE A 392 1.443 0.095 6.853 1.00 0.00 H new ATOM 0 HD11 ILE A 392 -1.494 2.340 7.197 1.00 0.00 H new ATOM 0 HD12 ILE A 392 -0.263 1.103 7.548 1.00 0.00 H new ATOM 0 HD13 ILE A 392 0.219 2.803 7.337 1.00 0.00 H new ATOM 162 N THR A 393 4.380 1.428 5.876 1.00 0.00 N ATOM 163 CA THR A 393 5.726 1.033 5.487 1.00 0.00 C ATOM 164 C THR A 393 6.024 -0.419 5.867 1.00 0.00 C ATOM 165 O THR A 393 7.167 -0.771 6.161 1.00 0.00 O ATOM 166 CB THR A 393 6.773 1.956 6.141 1.00 0.00 C ATOM 167 OG1 THR A 393 6.455 2.147 7.528 1.00 0.00 O ATOM 168 CG2 THR A 393 6.824 3.303 5.438 1.00 0.00 C ATOM 0 H THR A 393 4.147 1.235 6.850 1.00 0.00 H new ATOM 0 HA THR A 393 5.784 1.124 4.402 1.00 0.00 H new ATOM 0 HB THR A 393 7.751 1.482 6.052 1.00 0.00 H new ATOM 0 HG1 THR A 393 7.124 2.733 7.939 1.00 0.00 H new ATOM 0 HG21 THR A 393 7.570 3.936 5.918 1.00 0.00 H new ATOM 0 HG22 THR A 393 7.091 3.157 4.391 1.00 0.00 H new ATOM 0 HG23 THR A 393 5.847 3.783 5.500 1.00 0.00 H new ATOM 176 N GLU A 394 5.004 -1.276 5.796 1.00 0.00 N ATOM 177 CA GLU A 394 5.170 -2.698 6.099 1.00 0.00 C ATOM 178 C GLU A 394 4.246 -3.550 5.233 1.00 0.00 C ATOM 179 O GLU A 394 3.065 -3.240 5.092 1.00 0.00 O ATOM 180 CB GLU A 394 4.878 -2.973 7.576 1.00 0.00 C ATOM 181 CG GLU A 394 5.909 -2.393 8.528 1.00 0.00 C ATOM 182 CD GLU A 394 5.587 -2.680 9.976 1.00 0.00 C ATOM 183 OE1 GLU A 394 5.521 -3.869 10.350 1.00 0.00 O ATOM 184 OE2 GLU A 394 5.375 -1.723 10.744 1.00 0.00 O ATOM 0 H GLU A 394 4.055 -1.010 5.532 1.00 0.00 H new ATOM 0 HA GLU A 394 6.205 -2.964 5.882 1.00 0.00 H new ATOM 0 HB2 GLU A 394 3.899 -2.564 7.824 1.00 0.00 H new ATOM 0 HB3 GLU A 394 4.822 -4.051 7.730 1.00 0.00 H new ATOM 0 HG2 GLU A 394 6.890 -2.803 8.289 1.00 0.00 H new ATOM 0 HG3 GLU A 394 5.970 -1.315 8.380 1.00 0.00 H new ATOM 191 N GLU A 395 4.808 -4.597 4.627 1.00 0.00 N ATOM 192 CA GLU A 395 4.075 -5.490 3.733 1.00 0.00 C ATOM 193 C GLU A 395 2.825 -6.089 4.400 1.00 0.00 C ATOM 194 O GLU A 395 1.729 -5.950 3.860 1.00 0.00 O ATOM 195 CB GLU A 395 5.014 -6.599 3.234 1.00 0.00 C ATOM 196 CG GLU A 395 4.342 -7.650 2.365 1.00 0.00 C ATOM 197 CD GLU A 395 5.304 -8.737 1.931 1.00 0.00 C ATOM 198 OE1 GLU A 395 6.191 -8.461 1.091 1.00 0.00 O ATOM 199 OE2 GLU A 395 5.197 -9.869 2.444 1.00 0.00 O ATOM 0 H GLU A 395 5.789 -4.849 4.744 1.00 0.00 H new ATOM 0 HA GLU A 395 3.722 -4.902 2.886 1.00 0.00 H new ATOM 0 HB2 GLU A 395 5.826 -6.143 2.668 1.00 0.00 H new ATOM 0 HB3 GLU A 395 5.464 -7.092 4.096 1.00 0.00 H new ATOM 0 HG2 GLU A 395 3.515 -8.098 2.915 1.00 0.00 H new ATOM 0 HG3 GLU A 395 3.916 -7.171 1.483 1.00 0.00 H new ATOM 206 N PRO A 396 2.950 -6.752 5.578 1.00 0.00 N ATOM 207 CA PRO A 396 1.799 -7.375 6.256 1.00 0.00 C ATOM 208 C PRO A 396 0.678 -6.380 6.554 1.00 0.00 C ATOM 209 O PRO A 396 -0.504 -6.717 6.477 1.00 0.00 O ATOM 210 CB PRO A 396 2.392 -7.914 7.561 1.00 0.00 C ATOM 211 CG PRO A 396 3.841 -8.086 7.276 1.00 0.00 C ATOM 212 CD PRO A 396 4.204 -6.981 6.327 1.00 0.00 C ATOM 0 HA PRO A 396 1.338 -8.141 5.633 1.00 0.00 H new ATOM 0 HB2 PRO A 396 2.231 -7.220 8.386 1.00 0.00 H new ATOM 0 HB3 PRO A 396 1.930 -8.859 7.845 1.00 0.00 H new ATOM 0 HG2 PRO A 396 4.430 -8.025 8.191 1.00 0.00 H new ATOM 0 HG3 PRO A 396 4.040 -9.062 6.834 1.00 0.00 H new ATOM 0 HD2 PRO A 396 4.526 -6.085 6.857 1.00 0.00 H new ATOM 0 HD3 PRO A 396 5.021 -7.270 5.666 1.00 0.00 H new ATOM 220 N LYS A 397 1.057 -5.163 6.910 1.00 0.00 N ATOM 221 CA LYS A 397 0.086 -4.123 7.218 1.00 0.00 C ATOM 222 C LYS A 397 -0.514 -3.544 5.943 1.00 0.00 C ATOM 223 O LYS A 397 -1.719 -3.352 5.852 1.00 0.00 O ATOM 224 CB LYS A 397 0.738 -3.021 8.054 1.00 0.00 C ATOM 225 CG LYS A 397 1.160 -3.494 9.434 1.00 0.00 C ATOM 226 CD LYS A 397 1.909 -2.419 10.196 1.00 0.00 C ATOM 227 CE LYS A 397 2.361 -2.928 11.555 1.00 0.00 C ATOM 228 NZ LYS A 397 3.206 -1.938 12.267 1.00 0.00 N ATOM 0 H LYS A 397 2.030 -4.870 6.993 1.00 0.00 H new ATOM 0 HA LYS A 397 -0.722 -4.569 7.798 1.00 0.00 H new ATOM 0 HB2 LYS A 397 1.611 -2.639 7.524 1.00 0.00 H new ATOM 0 HB3 LYS A 397 0.040 -2.191 8.158 1.00 0.00 H new ATOM 0 HG2 LYS A 397 0.278 -3.793 10.001 1.00 0.00 H new ATOM 0 HG3 LYS A 397 1.791 -4.377 9.338 1.00 0.00 H new ATOM 0 HD2 LYS A 397 2.775 -2.096 9.619 1.00 0.00 H new ATOM 0 HD3 LYS A 397 1.268 -1.547 10.325 1.00 0.00 H new ATOM 0 HE2 LYS A 397 1.487 -3.163 12.163 1.00 0.00 H new ATOM 0 HE3 LYS A 397 2.919 -3.856 11.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 397 3.697 -2.404 13.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 397 3.907 -1.543 11.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 397 2.607 -1.172 12.636 1.00 0.00 H new ATOM 242 N CYS A 398 0.337 -3.282 4.957 1.00 0.00 N ATOM 243 CA CYS A 398 -0.104 -2.713 3.686 1.00 0.00 C ATOM 244 C CYS A 398 -1.064 -3.651 2.966 1.00 0.00 C ATOM 245 O CYS A 398 -2.075 -3.216 2.414 1.00 0.00 O ATOM 246 CB CYS A 398 1.103 -2.419 2.794 1.00 0.00 C ATOM 247 SG CYS A 398 0.688 -1.657 1.195 1.00 0.00 S ATOM 0 H CYS A 398 1.341 -3.455 5.013 1.00 0.00 H new ATOM 0 HA CYS A 398 -0.631 -1.783 3.899 1.00 0.00 H new ATOM 0 HB2 CYS A 398 1.784 -1.759 3.331 1.00 0.00 H new ATOM 0 HB3 CYS A 398 1.639 -3.350 2.611 1.00 0.00 H new ATOM 252 N SER A 399 -0.755 -4.940 2.990 1.00 0.00 N ATOM 253 CA SER A 399 -1.600 -5.937 2.360 1.00 0.00 C ATOM 254 C SER A 399 -2.949 -6.018 3.078 1.00 0.00 C ATOM 255 O SER A 399 -3.991 -6.244 2.459 1.00 0.00 O ATOM 256 CB SER A 399 -0.886 -7.292 2.362 1.00 0.00 C ATOM 257 OG SER A 399 -0.591 -7.725 3.680 1.00 0.00 O ATOM 0 H SER A 399 0.078 -5.318 3.441 1.00 0.00 H new ATOM 0 HA SER A 399 -1.791 -5.651 1.326 1.00 0.00 H new ATOM 0 HB2 SER A 399 -1.512 -8.034 1.866 1.00 0.00 H new ATOM 0 HB3 SER A 399 0.037 -7.218 1.787 1.00 0.00 H new ATOM 0 HG SER A 399 0.213 -7.267 4.003 1.00 0.00 H new ATOM 263 N GLU A 400 -2.913 -5.765 4.381 1.00 0.00 N ATOM 264 CA GLU A 400 -4.111 -5.728 5.207 1.00 0.00 C ATOM 265 C GLU A 400 -4.966 -4.505 4.875 1.00 0.00 C ATOM 266 O GLU A 400 -6.196 -4.583 4.851 1.00 0.00 O ATOM 267 CB GLU A 400 -3.701 -5.699 6.681 1.00 0.00 C ATOM 268 CG GLU A 400 -4.862 -5.645 7.658 1.00 0.00 C ATOM 269 CD GLU A 400 -4.394 -5.555 9.095 1.00 0.00 C ATOM 270 OE1 GLU A 400 -3.667 -6.468 9.546 1.00 0.00 O ATOM 271 OE2 GLU A 400 -4.734 -4.566 9.779 1.00 0.00 O ATOM 0 H GLU A 400 -2.051 -5.580 4.894 1.00 0.00 H new ATOM 0 HA GLU A 400 -4.707 -6.618 5.007 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -3.103 -6.585 6.896 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -3.060 -4.833 6.850 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -5.490 -4.784 7.427 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -5.481 -6.533 7.534 1.00 0.00 H new ATOM 278 N GLU A 401 -4.304 -3.373 4.670 1.00 0.00 N ATOM 279 CA GLU A 401 -4.983 -2.108 4.408 1.00 0.00 C ATOM 280 C GLU A 401 -5.892 -2.188 3.189 1.00 0.00 C ATOM 281 O GLU A 401 -5.551 -2.807 2.176 1.00 0.00 O ATOM 282 CB GLU A 401 -3.974 -0.983 4.203 1.00 0.00 C ATOM 283 CG GLU A 401 -3.146 -0.669 5.433 1.00 0.00 C ATOM 284 CD GLU A 401 -3.998 -0.321 6.633 1.00 0.00 C ATOM 285 OE1 GLU A 401 -4.772 0.655 6.561 1.00 0.00 O ATOM 286 OE2 GLU A 401 -3.898 -1.016 7.661 1.00 0.00 O ATOM 0 H GLU A 401 -3.286 -3.305 4.680 1.00 0.00 H new ATOM 0 HA GLU A 401 -5.597 -1.897 5.284 1.00 0.00 H new ATOM 0 HB2 GLU A 401 -3.305 -1.253 3.386 1.00 0.00 H new ATOM 0 HB3 GLU A 401 -4.506 -0.083 3.896 1.00 0.00 H new ATOM 0 HG2 GLU A 401 -2.519 -1.528 5.674 1.00 0.00 H new ATOM 0 HG3 GLU A 401 -2.477 0.163 5.213 1.00 0.00 H new ATOM 293 N LYS A 402 -7.040 -1.529 3.295 1.00 0.00 N ATOM 294 CA LYS A 402 -8.002 -1.464 2.215 1.00 0.00 C ATOM 295 C LYS A 402 -7.400 -0.773 0.998 1.00 0.00 C ATOM 296 O LYS A 402 -6.935 0.363 1.092 1.00 0.00 O ATOM 297 CB LYS A 402 -9.249 -0.708 2.689 1.00 0.00 C ATOM 298 CG LYS A 402 -10.346 -0.597 1.644 1.00 0.00 C ATOM 299 CD LYS A 402 -11.635 -0.056 2.250 1.00 0.00 C ATOM 300 CE LYS A 402 -12.740 0.104 1.214 1.00 0.00 C ATOM 301 NZ LYS A 402 -12.552 1.315 0.371 1.00 0.00 N ATOM 0 H LYS A 402 -7.325 -1.026 4.135 1.00 0.00 H new ATOM 0 HA LYS A 402 -8.279 -2.478 1.927 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -9.651 -1.209 3.569 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -8.956 0.295 2.999 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -10.018 0.058 0.837 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -10.532 -1.576 1.203 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -11.974 -0.729 3.038 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -11.437 0.908 2.718 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -12.768 -0.779 0.576 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -13.704 0.162 1.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -13.328 1.382 -0.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -12.552 2.162 0.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -11.645 1.249 -0.133 1.00 0.00 H new ATOM 315 N ILE A 403 -7.437 -1.478 -0.135 1.00 0.00 N ATOM 316 CA ILE A 403 -6.972 -0.978 -1.433 1.00 0.00 C ATOM 317 C ILE A 403 -5.539 -0.418 -1.375 1.00 0.00 C ATOM 318 O ILE A 403 -5.132 0.383 -2.223 1.00 0.00 O ATOM 319 CB ILE A 403 -7.976 0.057 -2.025 1.00 0.00 C ATOM 320 CG1 ILE A 403 -7.857 0.114 -3.547 1.00 0.00 C ATOM 321 CG2 ILE A 403 -7.779 1.450 -1.437 1.00 0.00 C ATOM 322 CD1 ILE A 403 -9.068 0.723 -4.221 1.00 0.00 C ATOM 0 H ILE A 403 -7.798 -2.431 -0.178 1.00 0.00 H new ATOM 0 HA ILE A 403 -6.934 -1.833 -2.109 1.00 0.00 H new ATOM 0 HB ILE A 403 -8.976 -0.280 -1.754 1.00 0.00 H new ATOM 0 HG12 ILE A 403 -6.972 0.692 -3.814 1.00 0.00 H new ATOM 0 HG13 ILE A 403 -7.706 -0.895 -3.931 1.00 0.00 H new ATOM 0 HG21 ILE A 403 -8.501 2.137 -1.879 1.00 0.00 H new ATOM 0 HG22 ILE A 403 -7.927 1.414 -0.358 1.00 0.00 H new ATOM 0 HG23 ILE A 403 -6.768 1.797 -1.653 1.00 0.00 H new ATOM 0 HD11 ILE A 403 -8.917 0.733 -5.300 1.00 0.00 H new ATOM 0 HD12 ILE A 403 -9.952 0.132 -3.984 1.00 0.00 H new ATOM 0 HD13 ILE A 403 -9.208 1.744 -3.865 1.00 0.00 H new ATOM 334 N CYS A 404 -4.722 -1.013 -0.516 1.00 0.00 N ATOM 335 CA CYS A 404 -3.295 -0.730 -0.500 1.00 0.00 C ATOM 336 C CYS A 404 -2.526 -1.947 -0.995 1.00 0.00 C ATOM 337 O CYS A 404 -2.929 -3.087 -0.748 1.00 0.00 O ATOM 338 CB CYS A 404 -2.837 -0.341 0.907 1.00 0.00 C ATOM 339 SG CYS A 404 -3.582 1.205 1.524 1.00 0.00 S ATOM 0 H CYS A 404 -5.025 -1.695 0.179 1.00 0.00 H new ATOM 0 HA CYS A 404 -3.094 0.111 -1.164 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -3.081 -1.150 1.595 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -1.752 -0.237 0.910 1.00 0.00 H new ATOM 344 N SER A 405 -1.487 -1.716 -1.780 1.00 0.00 N ATOM 345 CA SER A 405 -0.723 -2.807 -2.358 1.00 0.00 C ATOM 346 C SER A 405 0.767 -2.587 -2.139 1.00 0.00 C ATOM 347 O SER A 405 1.236 -1.445 -2.088 1.00 0.00 O ATOM 348 CB SER A 405 -1.031 -2.944 -3.847 1.00 0.00 C ATOM 349 OG SER A 405 -0.548 -4.175 -4.357 1.00 0.00 O ATOM 0 H SER A 405 -1.154 -0.785 -2.031 1.00 0.00 H new ATOM 0 HA SER A 405 -1.011 -3.733 -1.860 1.00 0.00 H new ATOM 0 HB2 SER A 405 -2.107 -2.878 -4.006 1.00 0.00 H new ATOM 0 HB3 SER A 405 -0.577 -2.117 -4.393 1.00 0.00 H new ATOM 0 HG SER A 405 -0.759 -4.239 -5.312 1.00 0.00 H new ATOM 355 N TRP A 406 1.488 -3.676 -1.915 1.00 0.00 N ATOM 356 CA TRP A 406 2.906 -3.601 -1.615 1.00 0.00 C ATOM 357 C TRP A 406 3.745 -3.564 -2.892 1.00 0.00 C ATOM 358 O TRP A 406 3.326 -4.034 -3.951 1.00 0.00 O ATOM 359 CB TRP A 406 3.335 -4.771 -0.730 1.00 0.00 C ATOM 360 CG TRP A 406 4.651 -4.540 -0.052 1.00 0.00 C ATOM 361 CD1 TRP A 406 5.797 -5.254 -0.226 1.00 0.00 C ATOM 362 CD2 TRP A 406 4.958 -3.530 0.916 1.00 0.00 C ATOM 363 NE1 TRP A 406 6.793 -4.756 0.568 1.00 0.00 N ATOM 364 CE2 TRP A 406 6.306 -3.702 1.284 1.00 0.00 C ATOM 365 CE3 TRP A 406 4.226 -2.502 1.516 1.00 0.00 C ATOM 366 CZ2 TRP A 406 6.937 -2.884 2.213 1.00 0.00 C ATOM 367 CZ3 TRP A 406 4.856 -1.689 2.438 1.00 0.00 C ATOM 368 CH2 TRP A 406 6.196 -1.886 2.781 1.00 0.00 C ATOM 0 H TRP A 406 1.111 -4.623 -1.936 1.00 0.00 H new ATOM 0 HA TRP A 406 3.079 -2.672 -1.072 1.00 0.00 H new ATOM 0 HB2 TRP A 406 2.569 -4.948 0.025 1.00 0.00 H new ATOM 0 HB3 TRP A 406 3.399 -5.674 -1.337 1.00 0.00 H new ATOM 0 HD1 TRP A 406 5.904 -6.094 -0.896 1.00 0.00 H new ATOM 0 HE1 TRP A 406 7.747 -5.115 0.617 1.00 0.00 H new ATOM 0 HE3 TRP A 406 3.188 -2.346 1.264 1.00 0.00 H new ATOM 0 HZ2 TRP A 406 7.974 -3.031 2.476 1.00 0.00 H new ATOM 0 HZ3 TRP A 406 4.303 -0.886 2.902 1.00 0.00 H new ATOM 0 HH2 TRP A 406 6.656 -1.236 3.510 1.00 0.00 H new ATOM 379 N HIS A 407 4.886 -2.913 -2.782 1.00 0.00 N ATOM 380 CA HIS A 407 5.789 -2.669 -3.893 1.00 0.00 C ATOM 381 C HIS A 407 7.200 -3.063 -3.462 1.00 0.00 C ATOM 382 O HIS A 407 8.023 -2.203 -3.158 1.00 0.00 O ATOM 383 CB HIS A 407 5.733 -1.176 -4.258 1.00 0.00 C ATOM 384 CG HIS A 407 6.452 -0.782 -5.513 1.00 0.00 C ATOM 385 ND1 HIS A 407 7.708 -1.236 -5.847 1.00 0.00 N ATOM 386 CD2 HIS A 407 6.100 0.090 -6.486 1.00 0.00 C ATOM 387 CE1 HIS A 407 8.095 -0.663 -6.969 1.00 0.00 C ATOM 388 NE2 HIS A 407 7.137 0.143 -7.380 1.00 0.00 N ATOM 0 H HIS A 407 5.220 -2.529 -1.898 1.00 0.00 H new ATOM 0 HA HIS A 407 5.503 -3.256 -4.766 1.00 0.00 H new ATOM 0 HB2 HIS A 407 4.687 -0.884 -4.354 1.00 0.00 H new ATOM 0 HB3 HIS A 407 6.149 -0.603 -3.429 1.00 0.00 H new ATOM 0 HD2 HIS A 407 5.174 0.642 -6.547 1.00 0.00 H new ATOM 0 HE1 HIS A 407 9.039 -0.827 -7.468 1.00 0.00 H new ATOM 0 HE2 HIS A 407 7.163 0.713 -8.225 1.00 0.00 H new ATOM 397 N LYS A 408 7.411 -4.363 -3.288 1.00 0.00 N ATOM 398 CA LYS A 408 8.666 -4.891 -2.744 1.00 0.00 C ATOM 399 C LYS A 408 9.883 -4.329 -3.479 1.00 0.00 C ATOM 400 O LYS A 408 10.846 -3.878 -2.859 1.00 0.00 O ATOM 401 CB LYS A 408 8.694 -6.420 -2.857 1.00 0.00 C ATOM 402 CG LYS A 408 7.537 -7.126 -2.172 1.00 0.00 C ATOM 403 CD LYS A 408 7.595 -8.631 -2.381 1.00 0.00 C ATOM 404 CE LYS A 408 8.763 -9.260 -1.638 1.00 0.00 C ATOM 405 NZ LYS A 408 8.622 -9.146 -0.161 1.00 0.00 N ATOM 0 H LYS A 408 6.724 -5.081 -3.517 1.00 0.00 H new ATOM 0 HA LYS A 408 8.713 -4.587 -1.698 1.00 0.00 H new ATOM 0 HB2 LYS A 408 8.696 -6.693 -3.912 1.00 0.00 H new ATOM 0 HB3 LYS A 408 9.629 -6.786 -2.432 1.00 0.00 H new ATOM 0 HG2 LYS A 408 7.556 -6.906 -1.105 1.00 0.00 H new ATOM 0 HG3 LYS A 408 6.594 -6.741 -2.560 1.00 0.00 H new ATOM 0 HD2 LYS A 408 6.663 -9.081 -2.040 1.00 0.00 H new ATOM 0 HD3 LYS A 408 7.683 -8.847 -3.446 1.00 0.00 H new ATOM 0 HE2 LYS A 408 8.841 -10.312 -1.913 1.00 0.00 H new ATOM 0 HE3 LYS A 408 9.690 -8.779 -1.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 8.872 -10.053 0.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 9.256 -8.401 0.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 7.639 -8.905 0.076 1.00 0.00 H new ATOM 419 N GLU A 409 9.865 -4.437 -4.797 1.00 0.00 N ATOM 420 CA GLU A 409 10.996 -4.053 -5.619 1.00 0.00 C ATOM 421 C GLU A 409 11.000 -2.559 -5.929 1.00 0.00 C ATOM 422 O GLU A 409 10.923 -2.154 -7.090 1.00 0.00 O ATOM 423 CB GLU A 409 10.973 -4.864 -6.908 1.00 0.00 C ATOM 424 CG GLU A 409 11.159 -6.354 -6.686 1.00 0.00 C ATOM 425 CD GLU A 409 12.444 -6.671 -5.948 1.00 0.00 C ATOM 426 OE1 GLU A 409 13.526 -6.287 -6.438 1.00 0.00 O ATOM 427 OE2 GLU A 409 12.382 -7.307 -4.876 1.00 0.00 O ATOM 0 H GLU A 409 9.068 -4.792 -5.324 1.00 0.00 H new ATOM 0 HA GLU A 409 11.910 -4.263 -5.063 1.00 0.00 H new ATOM 0 HB2 GLU A 409 10.024 -4.696 -7.418 1.00 0.00 H new ATOM 0 HB3 GLU A 409 11.759 -4.502 -7.570 1.00 0.00 H new ATOM 0 HG2 GLU A 409 10.313 -6.743 -6.120 1.00 0.00 H new ATOM 0 HG3 GLU A 409 11.160 -6.865 -7.649 1.00 0.00 H new ATOM 434 N VAL A 410 11.116 -1.743 -4.892 1.00 0.00 N ATOM 435 CA VAL A 410 11.203 -0.297 -5.062 1.00 0.00 C ATOM 436 C VAL A 410 12.555 0.114 -5.635 1.00 0.00 C ATOM 437 O VAL A 410 13.607 -0.324 -5.163 1.00 0.00 O ATOM 438 CB VAL A 410 10.967 0.460 -3.742 1.00 0.00 C ATOM 439 CG1 VAL A 410 9.485 0.518 -3.420 1.00 0.00 C ATOM 440 CG2 VAL A 410 11.738 -0.188 -2.602 1.00 0.00 C ATOM 0 H VAL A 410 11.152 -2.056 -3.922 1.00 0.00 H new ATOM 0 HA VAL A 410 10.413 -0.027 -5.763 1.00 0.00 H new ATOM 0 HB VAL A 410 11.334 1.479 -3.863 1.00 0.00 H new ATOM 0 HG11 VAL A 410 9.337 1.056 -2.484 1.00 0.00 H new ATOM 0 HG12 VAL A 410 8.958 1.034 -4.223 1.00 0.00 H new ATOM 0 HG13 VAL A 410 9.094 -0.495 -3.322 1.00 0.00 H new ATOM 0 HG21 VAL A 410 11.556 0.364 -1.680 1.00 0.00 H new ATOM 0 HG22 VAL A 410 11.407 -1.219 -2.479 1.00 0.00 H new ATOM 0 HG23 VAL A 410 12.804 -0.173 -2.829 1.00 0.00 H new ATOM 450 N LYS A 411 12.520 0.976 -6.633 1.00 0.00 N ATOM 451 CA LYS A 411 13.734 1.497 -7.235 1.00 0.00 C ATOM 452 C LYS A 411 14.121 2.812 -6.572 1.00 0.00 C ATOM 453 O LYS A 411 13.300 3.727 -6.490 1.00 0.00 O ATOM 454 CB LYS A 411 13.536 1.712 -8.738 1.00 0.00 C ATOM 455 CG LYS A 411 14.799 2.153 -9.458 1.00 0.00 C ATOM 456 CD LYS A 411 14.502 2.685 -10.850 1.00 0.00 C ATOM 457 CE LYS A 411 13.899 1.625 -11.753 1.00 0.00 C ATOM 458 NZ LYS A 411 13.684 2.140 -13.131 1.00 0.00 N ATOM 0 H LYS A 411 11.659 1.333 -7.047 1.00 0.00 H new ATOM 0 HA LYS A 411 14.534 0.772 -7.087 1.00 0.00 H new ATOM 0 HB2 LYS A 411 13.177 0.785 -9.185 1.00 0.00 H new ATOM 0 HB3 LYS A 411 12.760 2.462 -8.891 1.00 0.00 H new ATOM 0 HG2 LYS A 411 15.299 2.925 -8.873 1.00 0.00 H new ATOM 0 HG3 LYS A 411 15.488 1.312 -9.530 1.00 0.00 H new ATOM 0 HD2 LYS A 411 13.816 3.529 -10.776 1.00 0.00 H new ATOM 0 HD3 LYS A 411 15.422 3.060 -11.298 1.00 0.00 H new ATOM 0 HE2 LYS A 411 14.557 0.757 -11.787 1.00 0.00 H new ATOM 0 HE3 LYS A 411 12.949 1.289 -11.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 411 13.271 1.390 -13.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 411 13.036 2.953 -13.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 411 14.594 2.438 -13.536 1.00 0.00 H new ATOM 472 N ALA A 412 15.390 2.917 -6.180 1.00 0.00 N ATOM 473 CA ALA A 412 15.959 4.124 -5.587 1.00 0.00 C ATOM 474 C ALA A 412 15.299 4.506 -4.255 1.00 0.00 C ATOM 475 O ALA A 412 15.945 4.480 -3.210 1.00 0.00 O ATOM 476 CB ALA A 412 15.881 5.262 -6.585 1.00 0.00 C ATOM 0 H ALA A 412 16.061 2.154 -6.267 1.00 0.00 H new ATOM 0 HA ALA A 412 17.003 3.917 -5.351 1.00 0.00 H new ATOM 0 HB1 ALA A 412 16.306 6.163 -6.143 1.00 0.00 H new ATOM 0 HB2 ALA A 412 16.442 4.999 -7.482 1.00 0.00 H new ATOM 0 HB3 ALA A 412 14.839 5.444 -6.849 1.00 0.00 H new ATOM 482 N GLY A 413 14.026 4.867 -4.294 1.00 0.00 N ATOM 483 CA GLY A 413 13.326 5.260 -3.091 1.00 0.00 C ATOM 484 C GLY A 413 11.876 5.581 -3.365 1.00 0.00 C ATOM 485 O GLY A 413 11.375 6.631 -2.960 1.00 0.00 O ATOM 0 H GLY A 413 13.462 4.895 -5.144 1.00 0.00 H new ATOM 0 HA2 GLY A 413 13.388 4.458 -2.356 1.00 0.00 H new ATOM 0 HA3 GLY A 413 13.815 6.131 -2.654 1.00 0.00 H new ATOM 489 N GLU A 414 11.214 4.686 -4.085 1.00 0.00 N ATOM 490 CA GLU A 414 9.808 4.861 -4.435 1.00 0.00 C ATOM 491 C GLU A 414 8.915 4.636 -3.215 1.00 0.00 C ATOM 492 O GLU A 414 9.374 4.725 -2.073 1.00 0.00 O ATOM 493 CB GLU A 414 9.431 3.889 -5.554 1.00 0.00 C ATOM 494 CG GLU A 414 10.258 4.068 -6.815 1.00 0.00 C ATOM 495 CD GLU A 414 9.997 2.983 -7.835 1.00 0.00 C ATOM 496 OE1 GLU A 414 10.154 1.792 -7.495 1.00 0.00 O ATOM 497 OE2 GLU A 414 9.656 3.311 -8.989 1.00 0.00 O ATOM 0 H GLU A 414 11.630 3.825 -4.441 1.00 0.00 H new ATOM 0 HA GLU A 414 9.658 5.883 -4.782 1.00 0.00 H new ATOM 0 HB2 GLU A 414 9.550 2.868 -5.193 1.00 0.00 H new ATOM 0 HB3 GLU A 414 8.377 4.020 -5.799 1.00 0.00 H new ATOM 0 HG2 GLU A 414 10.036 5.039 -7.257 1.00 0.00 H new ATOM 0 HG3 GLU A 414 11.316 4.071 -6.555 1.00 0.00 H new ATOM 504 N LYS A 415 7.672 4.241 -3.447 1.00 0.00 N ATOM 505 CA LYS A 415 6.781 3.922 -2.348 1.00 0.00 C ATOM 506 C LYS A 415 6.540 2.432 -2.280 1.00 0.00 C ATOM 507 O LYS A 415 6.161 1.808 -3.272 1.00 0.00 O ATOM 508 CB LYS A 415 5.454 4.669 -2.472 1.00 0.00 C ATOM 509 CG LYS A 415 5.542 6.130 -2.067 1.00 0.00 C ATOM 510 CD LYS A 415 6.002 6.278 -0.624 1.00 0.00 C ATOM 511 CE LYS A 415 6.094 7.741 -0.219 1.00 0.00 C ATOM 512 NZ LYS A 415 6.691 7.915 1.131 1.00 0.00 N ATOM 0 H LYS A 415 7.263 4.135 -4.376 1.00 0.00 H new ATOM 0 HA LYS A 415 7.262 4.245 -1.425 1.00 0.00 H new ATOM 0 HB2 LYS A 415 5.106 4.606 -3.503 1.00 0.00 H new ATOM 0 HB3 LYS A 415 4.707 4.173 -1.852 1.00 0.00 H new ATOM 0 HG2 LYS A 415 6.235 6.651 -2.727 1.00 0.00 H new ATOM 0 HG3 LYS A 415 4.568 6.603 -2.191 1.00 0.00 H new ATOM 0 HD2 LYS A 415 5.307 5.759 0.036 1.00 0.00 H new ATOM 0 HD3 LYS A 415 6.975 5.803 -0.500 1.00 0.00 H new ATOM 0 HE2 LYS A 415 6.693 8.282 -0.952 1.00 0.00 H new ATOM 0 HE3 LYS A 415 5.098 8.183 -0.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 415 6.733 8.928 1.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 415 6.106 7.422 1.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 415 7.652 7.517 1.140 1.00 0.00 H new ATOM 526 N ASN A 416 6.795 1.858 -1.117 1.00 0.00 N ATOM 527 CA ASN A 416 6.598 0.434 -0.929 1.00 0.00 C ATOM 528 C ASN A 416 5.116 0.122 -0.804 1.00 0.00 C ATOM 529 O ASN A 416 4.617 -0.791 -1.435 1.00 0.00 O ATOM 530 CB ASN A 416 7.354 -0.088 0.292 1.00 0.00 C ATOM 531 CG ASN A 416 8.858 -0.120 0.091 1.00 0.00 C ATOM 532 OD1 ASN A 416 9.504 0.917 -0.061 1.00 0.00 O ATOM 533 ND2 ASN A 416 9.425 -1.315 0.078 1.00 0.00 N ATOM 0 H ASN A 416 7.137 2.354 -0.294 1.00 0.00 H new ATOM 0 HA ASN A 416 7.000 -0.074 -1.806 1.00 0.00 H new ATOM 0 HB2 ASN A 416 7.121 0.540 1.152 1.00 0.00 H new ATOM 0 HB3 ASN A 416 7.003 -1.093 0.527 1.00 0.00 H new ATOM 0 HD21 ASN A 416 10.432 -1.400 -0.062 1.00 0.00 H new ATOM 0 HD22 ASN A 416 8.855 -2.151 0.208 1.00 0.00 H new ATOM 540 N CYS A 417 4.388 0.944 -0.081 1.00 0.00 N ATOM 541 CA CYS A 417 2.947 0.794 -0.031 1.00 0.00 C ATOM 542 C CYS A 417 2.301 1.909 -0.836 1.00 0.00 C ATOM 543 O CYS A 417 2.618 3.085 -0.648 1.00 0.00 O ATOM 544 CB CYS A 417 2.444 0.809 1.410 1.00 0.00 C ATOM 545 SG CYS A 417 0.693 0.331 1.593 1.00 0.00 S ATOM 0 H CYS A 417 4.762 1.714 0.474 1.00 0.00 H new ATOM 0 HA CYS A 417 2.675 -0.169 -0.463 1.00 0.00 H new ATOM 0 HB2 CYS A 417 3.058 0.133 2.005 1.00 0.00 H new ATOM 0 HB3 CYS A 417 2.581 1.809 1.821 1.00 0.00 H new ATOM 550 N GLN A 418 1.467 1.540 -1.794 1.00 0.00 N ATOM 551 CA GLN A 418 0.855 2.514 -2.683 1.00 0.00 C ATOM 552 C GLN A 418 -0.526 2.062 -3.130 1.00 0.00 C ATOM 553 O GLN A 418 -0.939 0.935 -2.841 1.00 0.00 O ATOM 554 CB GLN A 418 1.761 2.809 -3.891 1.00 0.00 C ATOM 555 CG GLN A 418 2.648 1.649 -4.326 1.00 0.00 C ATOM 556 CD GLN A 418 1.921 0.611 -5.156 1.00 0.00 C ATOM 557 OE1 GLN A 418 1.387 0.910 -6.223 1.00 0.00 O ATOM 558 NE2 GLN A 418 1.905 -0.618 -4.678 1.00 0.00 N ATOM 0 H GLN A 418 1.198 0.573 -1.976 1.00 0.00 H new ATOM 0 HA GLN A 418 0.734 3.442 -2.124 1.00 0.00 H new ATOM 0 HB2 GLN A 418 1.135 3.104 -4.733 1.00 0.00 H new ATOM 0 HB3 GLN A 418 2.395 3.662 -3.651 1.00 0.00 H new ATOM 0 HG2 GLN A 418 3.487 2.040 -4.901 1.00 0.00 H new ATOM 0 HG3 GLN A 418 3.064 1.168 -3.441 1.00 0.00 H new ATOM 0 HE21 GLN A 418 2.360 -0.825 -3.789 1.00 0.00 H new ATOM 0 HE22 GLN A 418 1.438 -1.361 -5.197 1.00 0.00 H new ATOM 567 N PHE A 419 -1.289 3.009 -3.672 1.00 0.00 N ATOM 568 CA PHE A 419 -2.685 2.775 -4.020 1.00 0.00 C ATOM 569 C PHE A 419 -2.827 1.582 -4.960 1.00 0.00 C ATOM 570 O PHE A 419 -2.191 1.522 -6.011 1.00 0.00 O ATOM 571 CB PHE A 419 -3.275 4.029 -4.669 1.00 0.00 C ATOM 572 CG PHE A 419 -4.760 3.964 -4.863 1.00 0.00 C ATOM 573 CD1 PHE A 419 -5.598 3.675 -3.799 1.00 0.00 C ATOM 574 CD2 PHE A 419 -5.317 4.186 -6.111 1.00 0.00 C ATOM 575 CE1 PHE A 419 -6.966 3.609 -3.979 1.00 0.00 C ATOM 576 CE2 PHE A 419 -6.684 4.121 -6.294 1.00 0.00 C ATOM 577 CZ PHE A 419 -7.511 3.833 -5.228 1.00 0.00 C ATOM 0 H PHE A 419 -0.959 3.951 -3.880 1.00 0.00 H new ATOM 0 HA PHE A 419 -3.232 2.549 -3.105 1.00 0.00 H new ATOM 0 HB2 PHE A 419 -3.036 4.894 -4.051 1.00 0.00 H new ATOM 0 HB3 PHE A 419 -2.797 4.186 -5.636 1.00 0.00 H new ATOM 0 HD1 PHE A 419 -5.178 3.500 -2.820 1.00 0.00 H new ATOM 0 HD2 PHE A 419 -4.676 4.412 -6.950 1.00 0.00 H new ATOM 0 HE1 PHE A 419 -7.610 3.382 -3.142 1.00 0.00 H new ATOM 0 HE2 PHE A 419 -7.106 4.296 -7.273 1.00 0.00 H new ATOM 0 HZ PHE A 419 -8.580 3.783 -5.370 1.00 0.00 H new ATOM 587 N ASN A 420 -3.622 0.612 -4.538 1.00 0.00 N ATOM 588 CA ASN A 420 -3.813 -0.620 -5.291 1.00 0.00 C ATOM 589 C ASN A 420 -4.680 -0.370 -6.522 1.00 0.00 C ATOM 590 O ASN A 420 -4.345 -0.798 -7.626 1.00 0.00 O ATOM 591 CB ASN A 420 -4.486 -1.664 -4.400 1.00 0.00 C ATOM 592 CG ASN A 420 -4.318 -3.082 -4.896 1.00 0.00 C ATOM 593 OD1 ASN A 420 -4.348 -3.349 -6.096 1.00 0.00 O ATOM 594 ND2 ASN A 420 -4.180 -4.008 -3.961 1.00 0.00 N ATOM 0 H ASN A 420 -4.152 0.655 -3.667 1.00 0.00 H new ATOM 0 HA ASN A 420 -2.838 -0.983 -5.617 1.00 0.00 H new ATOM 0 HB2 ASN A 420 -4.075 -1.589 -3.393 1.00 0.00 H new ATOM 0 HB3 ASN A 420 -5.550 -1.437 -4.328 1.00 0.00 H new ATOM 0 HD21 ASN A 420 -4.093 -4.990 -4.224 1.00 0.00 H new ATOM 0 HD22 ASN A 420 -4.160 -3.740 -2.977 1.00 0.00 H new ATOM 601 N SER A 421 -5.800 0.316 -6.295 1.00 0.00 N ATOM 602 CA SER A 421 -6.793 0.623 -7.327 1.00 0.00 C ATOM 603 C SER A 421 -7.605 -0.620 -7.703 1.00 0.00 C ATOM 604 O SER A 421 -7.084 -1.566 -8.299 1.00 0.00 O ATOM 605 CB SER A 421 -6.133 1.229 -8.575 1.00 0.00 C ATOM 606 OG SER A 421 -7.104 1.733 -9.479 1.00 0.00 O ATOM 0 H SER A 421 -6.048 0.680 -5.375 1.00 0.00 H new ATOM 0 HA SER A 421 -7.475 1.364 -6.910 1.00 0.00 H new ATOM 0 HB2 SER A 421 -5.458 2.032 -8.278 1.00 0.00 H new ATOM 0 HB3 SER A 421 -5.528 0.471 -9.073 1.00 0.00 H new ATOM 0 HG SER A 421 -6.655 2.114 -10.262 1.00 0.00 H new ATOM 612 N THR A 422 -8.909 -0.550 -7.437 1.00 0.00 N ATOM 613 CA THR A 422 -9.866 -1.581 -7.841 1.00 0.00 C ATOM 614 C THR A 422 -9.459 -2.977 -7.346 1.00 0.00 C ATOM 615 O THR A 422 -9.559 -3.967 -8.073 1.00 0.00 O ATOM 616 CB THR A 422 -10.031 -1.586 -9.374 1.00 0.00 C ATOM 617 OG1 THR A 422 -10.017 -0.234 -9.858 1.00 0.00 O ATOM 618 CG2 THR A 422 -11.337 -2.251 -9.789 1.00 0.00 C ATOM 0 H THR A 422 -9.334 0.228 -6.932 1.00 0.00 H new ATOM 0 HA THR A 422 -10.821 -1.337 -7.375 1.00 0.00 H new ATOM 0 HB THR A 422 -9.205 -2.153 -9.803 1.00 0.00 H new ATOM 0 HG1 THR A 422 -10.120 -0.234 -10.833 1.00 0.00 H new ATOM 0 HG21 THR A 422 -11.423 -2.238 -10.876 1.00 0.00 H new ATOM 0 HG22 THR A 422 -11.348 -3.282 -9.436 1.00 0.00 H new ATOM 0 HG23 THR A 422 -12.176 -1.709 -9.352 1.00 0.00 H new ATOM 626 N LYS A 423 -9.022 -3.051 -6.094 1.00 0.00 N ATOM 627 CA LYS A 423 -8.603 -4.309 -5.494 1.00 0.00 C ATOM 628 C LYS A 423 -8.792 -4.272 -3.985 1.00 0.00 C ATOM 629 O LYS A 423 -8.049 -4.906 -3.232 1.00 0.00 O ATOM 630 CB LYS A 423 -7.138 -4.572 -5.809 1.00 0.00 C ATOM 631 CG LYS A 423 -6.889 -5.271 -7.137 1.00 0.00 C ATOM 632 CD LYS A 423 -7.445 -6.686 -7.141 1.00 0.00 C ATOM 633 CE LYS A 423 -7.144 -7.397 -8.450 1.00 0.00 C ATOM 634 NZ LYS A 423 -7.658 -8.792 -8.456 1.00 0.00 N ATOM 0 H LYS A 423 -8.949 -2.246 -5.471 1.00 0.00 H new ATOM 0 HA LYS A 423 -9.217 -5.108 -5.910 1.00 0.00 H new ATOM 0 HB2 LYS A 423 -6.604 -3.622 -5.808 1.00 0.00 H new ATOM 0 HB3 LYS A 423 -6.712 -5.178 -5.009 1.00 0.00 H new ATOM 0 HG2 LYS A 423 -7.348 -4.697 -7.942 1.00 0.00 H new ATOM 0 HG3 LYS A 423 -5.818 -5.300 -7.338 1.00 0.00 H new ATOM 0 HD2 LYS A 423 -7.016 -7.249 -6.312 1.00 0.00 H new ATOM 0 HD3 LYS A 423 -8.523 -6.655 -6.981 1.00 0.00 H new ATOM 0 HE2 LYS A 423 -7.591 -6.842 -9.275 1.00 0.00 H new ATOM 0 HE3 LYS A 423 -6.067 -7.406 -8.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 -7.432 -9.241 -9.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 -7.213 -9.329 -7.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 -8.689 -8.783 -8.321 1.00 0.00 H new ATOM 648 N ALA A 424 -9.797 -3.536 -3.550 1.00 0.00 N ATOM 649 CA ALA A 424 -10.110 -3.434 -2.134 1.00 0.00 C ATOM 650 C ALA A 424 -11.116 -4.505 -1.726 1.00 0.00 C ATOM 651 O ALA A 424 -11.191 -5.567 -2.345 1.00 0.00 O ATOM 652 CB ALA A 424 -10.652 -2.047 -1.817 1.00 0.00 C ATOM 0 H ALA A 424 -10.414 -2.997 -4.158 1.00 0.00 H new ATOM 0 HA ALA A 424 -9.194 -3.592 -1.564 1.00 0.00 H new ATOM 0 HB1 ALA A 424 -10.883 -1.981 -0.754 1.00 0.00 H new ATOM 0 HB2 ALA A 424 -9.904 -1.297 -2.073 1.00 0.00 H new ATOM 0 HB3 ALA A 424 -11.557 -1.869 -2.397 1.00 0.00 H new