USER MOD reduce.3.24.130724 H: found=0, std=0, add=480, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 481 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 388 LYS NZ :NH3+ 179:sc= -0.974 (180deg=-0.976) USER MOD Single : A 390 TYR OH : rot 180:sc= -0.775 USER MOD Single : A 393 TYR OH : rot -161:sc= 1.28 USER MOD Single : A 396 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 398 TYR OH : rot 180:sc= 0 USER MOD Single : A 399 ASN : amide:sc= 0.305! C(o=0.31!,f=-11!) USER MOD Single : A 400 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 401 ASN : amide:sc= -0.395 K(o=-0.39,f=-3.2!) USER MOD Single : A 402 TYR OH : rot 180:sc= 0 USER MOD Single : A 405 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 408 GLN : amide:sc= -5.4! C(o=-5.4!,f=-0.92!) USER MOD Single : A 410 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0503) USER MOD Single : A 411 SER OG : rot 180:sc= -0.013 USER MOD Single : A 417 HIS : no HD1:sc= -0.019 X(o=-0.019,f=-0.045) USER MOD Single : A 420 TYR OH : rot 180:sc= 0 USER MOD Single : A 424 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0313) USER MOD Single : A 426 GLN : amide:sc= -7.36! K(o=-7.4!,f=-1) USER MOD Single : A 427 THR OG1 : rot 180:sc= 0 USER MOD Single : A 428 THR OG1 : rot 180:sc= 0 USER MOD Single : A 430 THR OG1 : rot 180:sc= 0 USER MOD Single : A 432 MET CE :methyl -136:sc= 0 (180deg=-1.02) USER MOD Single : A 434 ASN : amide:sc= 0.571! C(o=0.57!,f=-4.9!) USER MOD Single : A 437 SER OG : rot 180:sc= 0 USER MOD Single : A 439 THR OG1 : rot 180:sc= 0 USER MOD Single : A 446 LYS NZ :NH3+ 163:sc= -0.0193 (180deg=-0.218) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 386 17.396 -3.053 -0.676 1.00 0.00 N ATOM 2 CA LEU A 386 17.088 -1.960 0.210 1.00 0.00 C ATOM 3 C LEU A 386 16.588 -0.755 -0.574 1.00 0.00 C ATOM 4 O LEU A 386 16.925 0.393 -0.277 1.00 0.00 O ATOM 5 CB LEU A 386 18.349 -1.607 0.960 1.00 0.00 C ATOM 6 CG LEU A 386 18.839 -2.669 1.942 1.00 0.00 C ATOM 7 CD1 LEU A 386 20.206 -2.299 2.492 1.00 0.00 C ATOM 8 CD2 LEU A 386 17.838 -2.856 3.075 1.00 0.00 C ATOM 0 HA LEU A 386 16.299 -2.252 0.903 1.00 0.00 H new ATOM 0 HB2 LEU A 386 19.140 -1.411 0.237 1.00 0.00 H new ATOM 0 HB3 LEU A 386 18.180 -0.679 1.507 1.00 0.00 H new ATOM 0 HG LEU A 386 18.929 -3.614 1.406 1.00 0.00 H new ATOM 0 HD11 LEU A 386 20.538 -3.068 3.190 1.00 0.00 H new ATOM 0 HD12 LEU A 386 20.919 -2.221 1.672 1.00 0.00 H new ATOM 0 HD13 LEU A 386 20.143 -1.342 3.010 1.00 0.00 H new ATOM 0 HD21 LEU A 386 18.206 -3.617 3.764 1.00 0.00 H new ATOM 0 HD22 LEU A 386 17.712 -1.914 3.609 1.00 0.00 H new ATOM 0 HD23 LEU A 386 16.879 -3.171 2.665 1.00 0.00 H new ATOM 20 N ARG A 387 15.796 -1.043 -1.586 1.00 0.00 N ATOM 21 CA ARG A 387 15.212 -0.014 -2.447 1.00 0.00 C ATOM 22 C ARG A 387 14.270 0.908 -1.687 1.00 0.00 C ATOM 23 O ARG A 387 13.861 0.612 -0.565 1.00 0.00 O ATOM 24 CB ARG A 387 14.458 -0.662 -3.596 1.00 0.00 C ATOM 25 CG ARG A 387 15.296 -0.880 -4.839 1.00 0.00 C ATOM 26 CD ARG A 387 15.158 0.275 -5.805 1.00 0.00 C ATOM 27 NE ARG A 387 15.709 -0.044 -7.118 1.00 0.00 N ATOM 28 CZ ARG A 387 15.537 0.708 -8.204 1.00 0.00 C ATOM 29 NH1 ARG A 387 14.838 1.837 -8.141 1.00 0.00 N ATOM 30 NH2 ARG A 387 16.060 0.319 -9.361 1.00 0.00 N ATOM 0 H ARG A 387 15.534 -1.995 -1.842 1.00 0.00 H new ATOM 0 HA ARG A 387 16.036 0.589 -2.829 1.00 0.00 H new ATOM 0 HB2 ARG A 387 14.064 -1.622 -3.263 1.00 0.00 H new ATOM 0 HB3 ARG A 387 13.602 -0.038 -3.853 1.00 0.00 H new ATOM 0 HG2 ARG A 387 16.342 -0.999 -4.558 1.00 0.00 H new ATOM 0 HG3 ARG A 387 14.990 -1.805 -5.329 1.00 0.00 H new ATOM 0 HD2 ARG A 387 14.105 0.539 -5.908 1.00 0.00 H new ATOM 0 HD3 ARG A 387 15.668 1.149 -5.400 1.00 0.00 H new ATOM 0 HE ARG A 387 16.261 -0.897 -7.210 1.00 0.00 H new ATOM 0 HH11 ARG A 387 14.428 2.134 -7.256 1.00 0.00 H new ATOM 0 HH12 ARG A 387 14.712 2.406 -8.978 1.00 0.00 H new ATOM 0 HH21 ARG A 387 16.590 -0.551 -9.414 1.00 0.00 H new ATOM 0 HH22 ARG A 387 15.932 0.890 -10.196 1.00 0.00 H new ATOM 44 N LYS A 388 13.929 2.022 -2.319 1.00 0.00 N ATOM 45 CA LYS A 388 13.067 3.028 -1.710 1.00 0.00 C ATOM 46 C LYS A 388 11.696 3.067 -2.382 1.00 0.00 C ATOM 47 O LYS A 388 11.494 3.793 -3.353 1.00 0.00 O ATOM 48 CB LYS A 388 13.708 4.417 -1.797 1.00 0.00 C ATOM 49 CG LYS A 388 14.905 4.634 -0.879 1.00 0.00 C ATOM 50 CD LYS A 388 16.133 3.862 -1.339 1.00 0.00 C ATOM 51 CE LYS A 388 17.339 4.145 -0.457 1.00 0.00 C ATOM 52 NZ LYS A 388 17.078 3.810 0.968 1.00 0.00 N ATOM 0 H LYS A 388 14.239 2.254 -3.263 1.00 0.00 H new ATOM 0 HA LYS A 388 12.939 2.751 -0.664 1.00 0.00 H new ATOM 0 HB2 LYS A 388 14.022 4.591 -2.826 1.00 0.00 H new ATOM 0 HB3 LYS A 388 12.950 5.165 -1.564 1.00 0.00 H new ATOM 0 HG2 LYS A 388 15.141 5.697 -0.839 1.00 0.00 H new ATOM 0 HG3 LYS A 388 14.644 4.327 0.134 1.00 0.00 H new ATOM 0 HD2 LYS A 388 15.917 2.794 -1.327 1.00 0.00 H new ATOM 0 HD3 LYS A 388 16.366 4.129 -2.370 1.00 0.00 H new ATOM 0 HE2 LYS A 388 18.193 3.569 -0.814 1.00 0.00 H new ATOM 0 HE3 LYS A 388 17.609 5.198 -0.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 388 17.931 4.002 1.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 388 16.291 4.390 1.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 388 16.829 2.803 1.048 1.00 0.00 H new ATOM 66 N CYS A 389 10.762 2.287 -1.859 1.00 0.00 N ATOM 67 CA CYS A 389 9.392 2.277 -2.356 1.00 0.00 C ATOM 68 C CYS A 389 8.721 3.624 -2.118 1.00 0.00 C ATOM 69 O CYS A 389 8.816 4.187 -1.027 1.00 0.00 O ATOM 70 CB CYS A 389 8.574 1.193 -1.653 1.00 0.00 C ATOM 71 SG CYS A 389 9.375 -0.438 -1.603 1.00 0.00 S ATOM 0 H CYS A 389 10.929 1.646 -1.083 1.00 0.00 H new ATOM 0 HA CYS A 389 9.431 2.073 -3.426 1.00 0.00 H new ATOM 0 HB2 CYS A 389 8.368 1.515 -0.632 1.00 0.00 H new ATOM 0 HB3 CYS A 389 7.612 1.097 -2.157 1.00 0.00 H new ATOM 76 N TYR A 390 8.052 4.133 -3.137 1.00 0.00 N ATOM 77 CA TYR A 390 7.280 5.358 -3.013 1.00 0.00 C ATOM 78 C TYR A 390 5.804 4.999 -2.906 1.00 0.00 C ATOM 79 O TYR A 390 5.276 4.287 -3.760 1.00 0.00 O ATOM 80 CB TYR A 390 7.529 6.259 -4.227 1.00 0.00 C ATOM 81 CG TYR A 390 6.945 7.654 -4.106 1.00 0.00 C ATOM 82 CD1 TYR A 390 7.649 8.663 -3.461 1.00 0.00 C ATOM 83 CD2 TYR A 390 5.702 7.965 -4.647 1.00 0.00 C ATOM 84 CE1 TYR A 390 7.132 9.939 -3.356 1.00 0.00 C ATOM 85 CE2 TYR A 390 5.177 9.241 -4.545 1.00 0.00 C ATOM 86 CZ TYR A 390 5.897 10.224 -3.899 1.00 0.00 C ATOM 87 OH TYR A 390 5.380 11.499 -3.795 1.00 0.00 O ATOM 0 H TYR A 390 8.028 3.714 -4.067 1.00 0.00 H new ATOM 0 HA TYR A 390 7.585 5.901 -2.119 1.00 0.00 H new ATOM 0 HB2 TYR A 390 8.604 6.342 -4.388 1.00 0.00 H new ATOM 0 HB3 TYR A 390 7.110 5.779 -5.112 1.00 0.00 H new ATOM 0 HD1 TYR A 390 8.617 8.446 -3.034 1.00 0.00 H new ATOM 0 HD2 TYR A 390 5.137 7.198 -5.155 1.00 0.00 H new ATOM 0 HE1 TYR A 390 7.693 10.711 -2.850 1.00 0.00 H new ATOM 0 HE2 TYR A 390 4.209 9.466 -4.969 1.00 0.00 H new ATOM 0 HH TYR A 390 4.503 11.533 -4.230 1.00 0.00 H new ATOM 97 N PHE A 391 5.147 5.449 -1.847 1.00 0.00 N ATOM 98 CA PHE A 391 3.737 5.140 -1.654 1.00 0.00 C ATOM 99 C PHE A 391 2.875 6.071 -2.502 1.00 0.00 C ATOM 100 O PHE A 391 2.917 7.294 -2.335 1.00 0.00 O ATOM 101 CB PHE A 391 3.350 5.254 -0.180 1.00 0.00 C ATOM 102 CG PHE A 391 2.056 4.563 0.153 1.00 0.00 C ATOM 103 CD1 PHE A 391 2.051 3.225 0.504 1.00 0.00 C ATOM 104 CD2 PHE A 391 0.851 5.246 0.112 1.00 0.00 C ATOM 105 CE1 PHE A 391 0.870 2.579 0.808 1.00 0.00 C ATOM 106 CE2 PHE A 391 -0.333 4.605 0.416 1.00 0.00 C ATOM 107 CZ PHE A 391 -0.324 3.270 0.764 1.00 0.00 C ATOM 0 H PHE A 391 5.562 6.024 -1.114 1.00 0.00 H new ATOM 0 HA PHE A 391 3.565 4.111 -1.971 1.00 0.00 H new ATOM 0 HB2 PHE A 391 4.147 4.831 0.431 1.00 0.00 H new ATOM 0 HB3 PHE A 391 3.270 6.308 0.086 1.00 0.00 H new ATOM 0 HD1 PHE A 391 2.982 2.679 0.541 1.00 0.00 H new ATOM 0 HD2 PHE A 391 0.838 6.291 -0.161 1.00 0.00 H new ATOM 0 HE1 PHE A 391 0.880 1.534 1.080 1.00 0.00 H new ATOM 0 HE2 PHE A 391 -1.266 5.148 0.381 1.00 0.00 H new ATOM 0 HZ PHE A 391 -1.249 2.767 1.002 1.00 0.00 H new ATOM 117 N PRO A 392 2.090 5.494 -3.423 1.00 0.00 N ATOM 118 CA PRO A 392 1.265 6.248 -4.361 1.00 0.00 C ATOM 119 C PRO A 392 -0.118 6.587 -3.812 1.00 0.00 C ATOM 120 O PRO A 392 -0.406 6.377 -2.634 1.00 0.00 O ATOM 121 CB PRO A 392 1.154 5.283 -5.536 1.00 0.00 C ATOM 122 CG PRO A 392 1.164 3.926 -4.914 1.00 0.00 C ATOM 123 CD PRO A 392 1.950 4.042 -3.630 1.00 0.00 C ATOM 0 HA PRO A 392 1.698 7.219 -4.604 1.00 0.00 H new ATOM 0 HB2 PRO A 392 0.238 5.452 -6.102 1.00 0.00 H new ATOM 0 HB3 PRO A 392 1.985 5.407 -6.230 1.00 0.00 H new ATOM 0 HG2 PRO A 392 0.148 3.584 -4.716 1.00 0.00 H new ATOM 0 HG3 PRO A 392 1.621 3.197 -5.583 1.00 0.00 H new ATOM 0 HD2 PRO A 392 1.427 3.570 -2.799 1.00 0.00 H new ATOM 0 HD3 PRO A 392 2.922 3.556 -3.713 1.00 0.00 H new ATOM 131 N TYR A 393 -0.967 7.106 -4.688 1.00 0.00 N ATOM 132 CA TYR A 393 -2.279 7.601 -4.303 1.00 0.00 C ATOM 133 C TYR A 393 -3.387 6.645 -4.737 1.00 0.00 C ATOM 134 O TYR A 393 -3.642 6.469 -5.930 1.00 0.00 O ATOM 135 CB TYR A 393 -2.495 8.987 -4.923 1.00 0.00 C ATOM 136 CG TYR A 393 -3.883 9.552 -4.731 1.00 0.00 C ATOM 137 CD1 TYR A 393 -4.292 10.055 -3.504 1.00 0.00 C ATOM 138 CD2 TYR A 393 -4.780 9.591 -5.787 1.00 0.00 C ATOM 139 CE1 TYR A 393 -5.559 10.578 -3.335 1.00 0.00 C ATOM 140 CE2 TYR A 393 -6.048 10.110 -5.628 1.00 0.00 C ATOM 141 CZ TYR A 393 -6.435 10.603 -4.401 1.00 0.00 C ATOM 142 OH TYR A 393 -7.700 11.123 -4.243 1.00 0.00 O ATOM 0 H TYR A 393 -0.765 7.195 -5.684 1.00 0.00 H new ATOM 0 HA TYR A 393 -2.319 7.673 -3.216 1.00 0.00 H new ATOM 0 HB2 TYR A 393 -1.772 9.680 -4.492 1.00 0.00 H new ATOM 0 HB3 TYR A 393 -2.285 8.930 -5.991 1.00 0.00 H new ATOM 0 HD1 TYR A 393 -3.609 10.037 -2.668 1.00 0.00 H new ATOM 0 HD2 TYR A 393 -4.481 9.208 -6.752 1.00 0.00 H new ATOM 0 HE1 TYR A 393 -5.863 10.965 -2.374 1.00 0.00 H new ATOM 0 HE2 TYR A 393 -6.734 10.130 -6.462 1.00 0.00 H new ATOM 0 HH TYR A 393 -8.278 10.802 -4.966 1.00 0.00 H new ATOM 152 N LEU A 394 -4.031 6.021 -3.761 1.00 0.00 N ATOM 153 CA LEU A 394 -5.201 5.198 -4.019 1.00 0.00 C ATOM 154 C LEU A 394 -6.441 6.078 -4.029 1.00 0.00 C ATOM 155 O LEU A 394 -6.779 6.713 -3.028 1.00 0.00 O ATOM 156 CB LEU A 394 -5.370 4.082 -2.969 1.00 0.00 C ATOM 157 CG LEU A 394 -4.261 3.020 -2.920 1.00 0.00 C ATOM 158 CD1 LEU A 394 -3.976 2.479 -4.313 1.00 0.00 C ATOM 159 CD2 LEU A 394 -2.992 3.566 -2.281 1.00 0.00 C ATOM 0 H LEU A 394 -3.760 6.070 -2.779 1.00 0.00 H new ATOM 0 HA LEU A 394 -5.064 4.719 -4.988 1.00 0.00 H new ATOM 0 HB2 LEU A 394 -5.443 4.546 -1.985 1.00 0.00 H new ATOM 0 HB3 LEU A 394 -6.318 3.578 -3.155 1.00 0.00 H new ATOM 0 HG LEU A 394 -4.615 2.199 -2.296 1.00 0.00 H new ATOM 0 HD11 LEU A 394 -3.188 1.728 -4.257 1.00 0.00 H new ATOM 0 HD12 LEU A 394 -4.880 2.026 -4.720 1.00 0.00 H new ATOM 0 HD13 LEU A 394 -3.655 3.294 -4.961 1.00 0.00 H new ATOM 0 HD21 LEU A 394 -2.229 2.787 -2.263 1.00 0.00 H new ATOM 0 HD22 LEU A 394 -2.630 4.416 -2.860 1.00 0.00 H new ATOM 0 HD23 LEU A 394 -3.207 3.887 -1.262 1.00 0.00 H new ATOM 171 N GLU A 395 -7.106 6.119 -5.176 1.00 0.00 N ATOM 172 CA GLU A 395 -8.305 6.926 -5.353 1.00 0.00 C ATOM 173 C GLU A 395 -9.411 6.432 -4.430 1.00 0.00 C ATOM 174 O GLU A 395 -10.193 7.217 -3.889 1.00 0.00 O ATOM 175 CB GLU A 395 -8.772 6.852 -6.808 1.00 0.00 C ATOM 176 CG GLU A 395 -9.782 7.923 -7.177 1.00 0.00 C ATOM 177 CD GLU A 395 -9.158 9.298 -7.276 1.00 0.00 C ATOM 178 OE1 GLU A 395 -9.107 10.016 -6.253 1.00 0.00 O ATOM 179 OE2 GLU A 395 -8.712 9.667 -8.381 1.00 0.00 O ATOM 0 H GLU A 395 -6.830 5.596 -6.007 1.00 0.00 H new ATOM 0 HA GLU A 395 -8.073 7.961 -5.103 1.00 0.00 H new ATOM 0 HB2 GLU A 395 -7.906 6.940 -7.464 1.00 0.00 H new ATOM 0 HB3 GLU A 395 -9.212 5.871 -6.990 1.00 0.00 H new ATOM 0 HG2 GLU A 395 -10.245 7.668 -8.130 1.00 0.00 H new ATOM 0 HG3 GLU A 395 -10.577 7.941 -6.431 1.00 0.00 H new ATOM 186 N ASN A 396 -9.460 5.121 -4.245 1.00 0.00 N ATOM 187 CA ASN A 396 -10.475 4.508 -3.403 1.00 0.00 C ATOM 188 C ASN A 396 -9.868 4.002 -2.101 1.00 0.00 C ATOM 189 O ASN A 396 -10.376 3.056 -1.497 1.00 0.00 O ATOM 190 CB ASN A 396 -11.159 3.352 -4.139 1.00 0.00 C ATOM 191 CG ASN A 396 -11.945 3.817 -5.350 1.00 0.00 C ATOM 192 OD1 ASN A 396 -13.119 4.167 -5.243 1.00 0.00 O ATOM 193 ND2 ASN A 396 -11.308 3.806 -6.510 1.00 0.00 N ATOM 0 H ASN A 396 -8.807 4.461 -4.668 1.00 0.00 H new ATOM 0 HA ASN A 396 -11.219 5.270 -3.169 1.00 0.00 H new ATOM 0 HB2 ASN A 396 -10.406 2.630 -4.454 1.00 0.00 H new ATOM 0 HB3 ASN A 396 -11.829 2.834 -3.452 1.00 0.00 H new ATOM 0 HD21 ASN A 396 -11.792 4.095 -7.360 1.00 0.00 H new ATOM 0 HD22 ASN A 396 -10.333 3.508 -6.554 1.00 0.00 H new ATOM 200 N GLY A 397 -8.793 4.640 -1.661 1.00 0.00 N ATOM 201 CA GLY A 397 -8.126 4.210 -0.447 1.00 0.00 C ATOM 202 C GLY A 397 -7.687 5.373 0.419 1.00 0.00 C ATOM 203 O GLY A 397 -7.687 6.518 -0.034 1.00 0.00 O ATOM 0 H GLY A 397 -8.371 5.446 -2.121 1.00 0.00 H new ATOM 0 HA2 GLY A 397 -8.797 3.569 0.125 1.00 0.00 H new ATOM 0 HA3 GLY A 397 -7.256 3.608 -0.709 1.00 0.00 H new ATOM 207 N TYR A 398 -7.337 5.085 1.669 1.00 0.00 N ATOM 208 CA TYR A 398 -6.855 6.102 2.588 1.00 0.00 C ATOM 209 C TYR A 398 -5.338 6.211 2.501 1.00 0.00 C ATOM 210 O TYR A 398 -4.609 5.305 2.910 1.00 0.00 O ATOM 211 CB TYR A 398 -7.279 5.777 4.021 1.00 0.00 C ATOM 212 CG TYR A 398 -8.773 5.854 4.251 1.00 0.00 C ATOM 213 CD1 TYR A 398 -9.466 7.037 4.032 1.00 0.00 C ATOM 214 CD2 TYR A 398 -9.489 4.745 4.690 1.00 0.00 C ATOM 215 CE1 TYR A 398 -10.827 7.115 4.245 1.00 0.00 C ATOM 216 CE2 TYR A 398 -10.850 4.818 4.908 1.00 0.00 C ATOM 217 CZ TYR A 398 -11.513 6.003 4.683 1.00 0.00 C ATOM 218 OH TYR A 398 -12.870 6.079 4.900 1.00 0.00 O ATOM 0 H TYR A 398 -7.380 4.147 2.068 1.00 0.00 H new ATOM 0 HA TYR A 398 -7.295 7.059 2.307 1.00 0.00 H new ATOM 0 HB2 TYR A 398 -6.934 4.774 4.273 1.00 0.00 H new ATOM 0 HB3 TYR A 398 -6.780 6.467 4.702 1.00 0.00 H new ATOM 0 HD1 TYR A 398 -8.931 7.910 3.689 1.00 0.00 H new ATOM 0 HD2 TYR A 398 -8.972 3.813 4.863 1.00 0.00 H new ATOM 0 HE1 TYR A 398 -11.352 8.042 4.069 1.00 0.00 H new ATOM 0 HE2 TYR A 398 -11.392 3.950 5.253 1.00 0.00 H new ATOM 0 HH TYR A 398 -13.202 5.209 5.205 1.00 0.00 H new ATOM 228 N ASN A 399 -4.871 7.325 1.971 1.00 0.00 N ATOM 229 CA ASN A 399 -3.455 7.522 1.711 1.00 0.00 C ATOM 230 C ASN A 399 -2.774 8.203 2.883 1.00 0.00 C ATOM 231 O ASN A 399 -2.359 9.358 2.789 1.00 0.00 O ATOM 232 CB ASN A 399 -3.266 8.356 0.447 1.00 0.00 C ATOM 233 CG ASN A 399 -3.863 7.685 -0.766 1.00 0.00 C ATOM 234 OD1 ASN A 399 -3.206 6.887 -1.422 1.00 0.00 O ATOM 235 ND2 ASN A 399 -5.115 8.001 -1.072 1.00 0.00 N ATOM 0 H ASN A 399 -5.458 8.117 1.709 1.00 0.00 H new ATOM 0 HA ASN A 399 -2.997 6.543 1.571 1.00 0.00 H new ATOM 0 HB2 ASN A 399 -3.728 9.334 0.585 1.00 0.00 H new ATOM 0 HB3 ASN A 399 -2.202 8.527 0.281 1.00 0.00 H new ATOM 0 HD21 ASN A 399 -5.566 7.574 -1.881 1.00 0.00 H new ATOM 0 HD22 ASN A 399 -5.627 8.671 -0.498 1.00 0.00 H new ATOM 242 N GLN A 400 -2.645 7.480 3.980 1.00 0.00 N ATOM 243 CA GLN A 400 -2.027 8.022 5.177 1.00 0.00 C ATOM 244 C GLN A 400 -0.508 8.070 5.042 1.00 0.00 C ATOM 245 O GLN A 400 0.177 8.611 5.904 1.00 0.00 O ATOM 246 CB GLN A 400 -2.416 7.186 6.391 1.00 0.00 C ATOM 247 CG GLN A 400 -3.916 7.116 6.630 1.00 0.00 C ATOM 248 CD GLN A 400 -4.260 6.471 7.958 1.00 0.00 C ATOM 249 OE1 GLN A 400 -4.375 7.150 8.977 1.00 0.00 O ATOM 250 NE2 GLN A 400 -4.421 5.159 7.958 1.00 0.00 N ATOM 0 H GLN A 400 -2.960 6.514 4.067 1.00 0.00 H new ATOM 0 HA GLN A 400 -2.388 9.042 5.310 1.00 0.00 H new ATOM 0 HB2 GLN A 400 -2.030 6.175 6.263 1.00 0.00 H new ATOM 0 HB3 GLN A 400 -1.935 7.602 7.276 1.00 0.00 H new ATOM 0 HG2 GLN A 400 -4.333 8.122 6.599 1.00 0.00 H new ATOM 0 HG3 GLN A 400 -4.384 6.552 5.823 1.00 0.00 H new ATOM 0 HE21 GLN A 400 -4.317 4.632 7.091 1.00 0.00 H new ATOM 0 HE22 GLN A 400 -4.649 4.673 8.825 1.00 0.00 H new ATOM 259 N ASN A 401 0.015 7.505 3.956 1.00 0.00 N ATOM 260 CA ASN A 401 1.459 7.482 3.736 1.00 0.00 C ATOM 261 C ASN A 401 1.807 7.855 2.305 1.00 0.00 C ATOM 262 O ASN A 401 2.877 7.508 1.811 1.00 0.00 O ATOM 263 CB ASN A 401 2.045 6.102 4.059 1.00 0.00 C ATOM 264 CG ASN A 401 2.057 5.806 5.545 1.00 0.00 C ATOM 265 OD1 ASN A 401 3.030 6.103 6.238 1.00 0.00 O ATOM 266 ND2 ASN A 401 0.981 5.219 6.040 1.00 0.00 N ATOM 0 H ASN A 401 -0.534 7.060 3.220 1.00 0.00 H new ATOM 0 HA ASN A 401 1.896 8.221 4.408 1.00 0.00 H new ATOM 0 HB2 ASN A 401 1.465 5.336 3.545 1.00 0.00 H new ATOM 0 HB3 ASN A 401 3.063 6.044 3.673 1.00 0.00 H new ATOM 0 HD21 ASN A 401 0.934 4.994 7.034 1.00 0.00 H new ATOM 0 HD22 ASN A 401 0.197 4.991 5.428 1.00 0.00 H new ATOM 273 N TYR A 402 0.915 8.572 1.643 1.00 0.00 N ATOM 274 CA TYR A 402 1.144 8.975 0.263 1.00 0.00 C ATOM 275 C TYR A 402 2.265 10.001 0.175 1.00 0.00 C ATOM 276 O TYR A 402 2.273 10.999 0.897 1.00 0.00 O ATOM 277 CB TYR A 402 -0.141 9.529 -0.355 1.00 0.00 C ATOM 278 CG TYR A 402 0.081 10.385 -1.583 1.00 0.00 C ATOM 279 CD1 TYR A 402 0.348 9.811 -2.817 1.00 0.00 C ATOM 280 CD2 TYR A 402 0.019 11.771 -1.504 1.00 0.00 C ATOM 281 CE1 TYR A 402 0.548 10.592 -3.938 1.00 0.00 C ATOM 282 CE2 TYR A 402 0.219 12.558 -2.619 1.00 0.00 C ATOM 283 CZ TYR A 402 0.482 11.965 -3.833 1.00 0.00 C ATOM 284 OH TYR A 402 0.680 12.746 -4.947 1.00 0.00 O ATOM 0 H TYR A 402 0.028 8.887 2.036 1.00 0.00 H new ATOM 0 HA TYR A 402 1.447 8.093 -0.302 1.00 0.00 H new ATOM 0 HB2 TYR A 402 -0.792 8.696 -0.619 1.00 0.00 H new ATOM 0 HB3 TYR A 402 -0.667 10.119 0.395 1.00 0.00 H new ATOM 0 HD1 TYR A 402 0.400 8.736 -2.903 1.00 0.00 H new ATOM 0 HD2 TYR A 402 -0.189 12.240 -0.554 1.00 0.00 H new ATOM 0 HE1 TYR A 402 0.755 10.130 -4.892 1.00 0.00 H new ATOM 0 HE2 TYR A 402 0.169 13.634 -2.540 1.00 0.00 H new ATOM 0 HH TYR A 402 0.599 13.691 -4.702 1.00 0.00 H new ATOM 294 N GLY A 403 3.215 9.734 -0.706 1.00 0.00 N ATOM 295 CA GLY A 403 4.318 10.649 -0.909 1.00 0.00 C ATOM 296 C GLY A 403 5.480 10.331 -0.003 1.00 0.00 C ATOM 297 O GLY A 403 6.394 11.140 0.165 1.00 0.00 O ATOM 0 H GLY A 403 3.242 8.896 -1.287 1.00 0.00 H new ATOM 0 HA2 GLY A 403 4.643 10.602 -1.948 1.00 0.00 H new ATOM 0 HA3 GLY A 403 3.982 11.670 -0.726 1.00 0.00 H new ATOM 301 N ARG A 404 5.443 9.148 0.583 1.00 0.00 N ATOM 302 CA ARG A 404 6.477 8.724 1.505 1.00 0.00 C ATOM 303 C ARG A 404 7.307 7.602 0.909 1.00 0.00 C ATOM 304 O ARG A 404 6.797 6.765 0.160 1.00 0.00 O ATOM 305 CB ARG A 404 5.853 8.277 2.821 1.00 0.00 C ATOM 306 CG ARG A 404 5.114 9.397 3.529 1.00 0.00 C ATOM 307 CD ARG A 404 4.468 8.933 4.822 1.00 0.00 C ATOM 308 NE ARG A 404 3.633 9.982 5.402 1.00 0.00 N ATOM 309 CZ ARG A 404 2.986 9.877 6.563 1.00 0.00 C ATOM 310 NH1 ARG A 404 3.034 8.748 7.263 1.00 0.00 N ATOM 311 NH2 ARG A 404 2.284 10.908 7.017 1.00 0.00 N ATOM 0 H ARG A 404 4.703 8.462 0.435 1.00 0.00 H new ATOM 0 HA ARG A 404 7.137 9.571 1.694 1.00 0.00 H new ATOM 0 HB2 ARG A 404 5.163 7.455 2.630 1.00 0.00 H new ATOM 0 HB3 ARG A 404 6.634 7.892 3.476 1.00 0.00 H new ATOM 0 HG2 ARG A 404 5.809 10.209 3.743 1.00 0.00 H new ATOM 0 HG3 ARG A 404 4.348 9.800 2.867 1.00 0.00 H new ATOM 0 HD2 ARG A 404 3.863 8.047 4.632 1.00 0.00 H new ATOM 0 HD3 ARG A 404 5.241 8.644 5.534 1.00 0.00 H new ATOM 0 HE ARG A 404 3.538 10.855 4.883 1.00 0.00 H new ATOM 0 HH11 ARG A 404 3.569 7.953 6.913 1.00 0.00 H new ATOM 0 HH12 ARG A 404 2.536 8.676 8.150 1.00 0.00 H new ATOM 0 HH21 ARG A 404 2.242 11.773 6.478 1.00 0.00 H new ATOM 0 HH22 ARG A 404 1.786 10.835 7.904 1.00 0.00 H new ATOM 325 N LYS A 405 8.587 7.606 1.234 1.00 0.00 N ATOM 326 CA LYS A 405 9.505 6.599 0.757 1.00 0.00 C ATOM 327 C LYS A 405 9.908 5.675 1.891 1.00 0.00 C ATOM 328 O LYS A 405 10.222 6.128 2.995 1.00 0.00 O ATOM 329 CB LYS A 405 10.739 7.264 0.163 1.00 0.00 C ATOM 330 CG LYS A 405 10.456 8.043 -1.108 1.00 0.00 C ATOM 331 CD LYS A 405 11.684 8.807 -1.571 1.00 0.00 C ATOM 332 CE LYS A 405 11.391 9.656 -2.797 1.00 0.00 C ATOM 333 NZ LYS A 405 12.589 10.422 -3.231 1.00 0.00 N ATOM 0 H LYS A 405 9.015 8.309 1.836 1.00 0.00 H new ATOM 0 HA LYS A 405 9.011 6.009 -0.015 1.00 0.00 H new ATOM 0 HB2 LYS A 405 11.171 7.937 0.904 1.00 0.00 H new ATOM 0 HB3 LYS A 405 11.487 6.500 -0.048 1.00 0.00 H new ATOM 0 HG2 LYS A 405 10.134 7.358 -1.893 1.00 0.00 H new ATOM 0 HG3 LYS A 405 9.635 8.739 -0.935 1.00 0.00 H new ATOM 0 HD2 LYS A 405 12.041 9.446 -0.763 1.00 0.00 H new ATOM 0 HD3 LYS A 405 12.485 8.104 -1.799 1.00 0.00 H new ATOM 0 HE2 LYS A 405 11.053 9.015 -3.612 1.00 0.00 H new ATOM 0 HE3 LYS A 405 10.577 10.347 -2.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 405 12.353 10.990 -4.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 405 12.896 11.051 -2.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 405 13.357 9.761 -3.465 1.00 0.00 H new ATOM 347 N PHE A 406 9.898 4.389 1.613 1.00 0.00 N ATOM 348 CA PHE A 406 10.253 3.384 2.600 1.00 0.00 C ATOM 349 C PHE A 406 11.333 2.475 2.038 1.00 0.00 C ATOM 350 O PHE A 406 11.408 2.269 0.828 1.00 0.00 O ATOM 351 CB PHE A 406 9.025 2.548 2.994 1.00 0.00 C ATOM 352 CG PHE A 406 7.888 3.354 3.562 1.00 0.00 C ATOM 353 CD1 PHE A 406 6.911 3.881 2.731 1.00 0.00 C ATOM 354 CD2 PHE A 406 7.792 3.575 4.926 1.00 0.00 C ATOM 355 CE1 PHE A 406 5.862 4.614 3.250 1.00 0.00 C ATOM 356 CE2 PHE A 406 6.746 4.309 5.451 1.00 0.00 C ATOM 357 CZ PHE A 406 5.780 4.829 4.612 1.00 0.00 C ATOM 0 H PHE A 406 9.645 4.009 0.701 1.00 0.00 H new ATOM 0 HA PHE A 406 10.626 3.890 3.490 1.00 0.00 H new ATOM 0 HB2 PHE A 406 8.670 2.008 2.116 1.00 0.00 H new ATOM 0 HB3 PHE A 406 9.328 1.801 3.727 1.00 0.00 H new ATOM 0 HD1 PHE A 406 6.971 3.716 1.665 1.00 0.00 H new ATOM 0 HD2 PHE A 406 8.544 3.169 5.587 1.00 0.00 H new ATOM 0 HE1 PHE A 406 5.107 5.018 2.592 1.00 0.00 H new ATOM 0 HE2 PHE A 406 6.684 4.476 6.516 1.00 0.00 H new ATOM 0 HZ PHE A 406 4.961 5.403 5.020 1.00 0.00 H new ATOM 367 N VAL A 407 12.176 1.950 2.908 1.00 0.00 N ATOM 368 CA VAL A 407 13.212 1.021 2.487 1.00 0.00 C ATOM 369 C VAL A 407 12.649 -0.392 2.442 1.00 0.00 C ATOM 370 O VAL A 407 11.737 -0.722 3.195 1.00 0.00 O ATOM 371 CB VAL A 407 14.438 1.078 3.419 1.00 0.00 C ATOM 372 CG1 VAL A 407 15.072 2.458 3.361 1.00 0.00 C ATOM 373 CG2 VAL A 407 14.053 0.714 4.847 1.00 0.00 C ATOM 0 H VAL A 407 12.165 2.149 3.908 1.00 0.00 H new ATOM 0 HA VAL A 407 13.543 1.312 1.490 1.00 0.00 H new ATOM 0 HB VAL A 407 15.169 0.346 3.078 1.00 0.00 H new ATOM 0 HG11 VAL A 407 15.938 2.489 4.023 1.00 0.00 H new ATOM 0 HG12 VAL A 407 15.388 2.670 2.340 1.00 0.00 H new ATOM 0 HG13 VAL A 407 14.345 3.206 3.679 1.00 0.00 H new ATOM 0 HG21 VAL A 407 14.935 0.762 5.485 1.00 0.00 H new ATOM 0 HG22 VAL A 407 13.303 1.416 5.212 1.00 0.00 H new ATOM 0 HG23 VAL A 407 13.645 -0.296 4.867 1.00 0.00 H new ATOM 383 N GLN A 408 13.165 -1.213 1.536 1.00 0.00 N ATOM 384 CA GLN A 408 12.646 -2.563 1.361 1.00 0.00 C ATOM 385 C GLN A 408 12.768 -3.371 2.648 1.00 0.00 C ATOM 386 O GLN A 408 13.762 -3.274 3.371 1.00 0.00 O ATOM 387 CB GLN A 408 13.354 -3.294 0.220 1.00 0.00 C ATOM 388 CG GLN A 408 12.806 -4.699 -0.008 1.00 0.00 C ATOM 389 CD GLN A 408 13.575 -5.499 -1.041 1.00 0.00 C ATOM 390 OE1 GLN A 408 13.627 -6.723 -0.974 1.00 0.00 O ATOM 391 NE2 GLN A 408 14.183 -4.819 -1.998 1.00 0.00 N ATOM 0 H GLN A 408 13.937 -0.970 0.915 1.00 0.00 H new ATOM 0 HA GLN A 408 11.591 -2.467 1.105 1.00 0.00 H new ATOM 0 HB2 GLN A 408 13.250 -2.714 -0.697 1.00 0.00 H new ATOM 0 HB3 GLN A 408 14.420 -3.355 0.439 1.00 0.00 H new ATOM 0 HG2 GLN A 408 12.817 -5.240 0.938 1.00 0.00 H new ATOM 0 HG3 GLN A 408 11.765 -4.626 -0.321 1.00 0.00 H new ATOM 0 HE21 GLN A 408 14.117 -3.801 -2.021 1.00 0.00 H new ATOM 0 HE22 GLN A 408 14.718 -5.312 -2.713 1.00 0.00 H new ATOM 400 N GLY A 409 11.741 -4.159 2.926 1.00 0.00 N ATOM 401 CA GLY A 409 11.708 -4.933 4.147 1.00 0.00 C ATOM 402 C GLY A 409 10.788 -4.293 5.153 1.00 0.00 C ATOM 403 O GLY A 409 10.749 -4.671 6.324 1.00 0.00 O ATOM 0 H GLY A 409 10.926 -4.276 2.324 1.00 0.00 H new ATOM 0 HA2 GLY A 409 11.372 -5.948 3.932 1.00 0.00 H new ATOM 0 HA3 GLY A 409 12.713 -5.011 4.562 1.00 0.00 H new ATOM 407 N LYS A 410 10.038 -3.320 4.669 1.00 0.00 N ATOM 408 CA LYS A 410 9.121 -2.559 5.481 1.00 0.00 C ATOM 409 C LYS A 410 7.702 -2.916 5.105 1.00 0.00 C ATOM 410 O LYS A 410 7.445 -3.316 3.977 1.00 0.00 O ATOM 411 CB LYS A 410 9.355 -1.073 5.242 1.00 0.00 C ATOM 412 CG LYS A 410 10.569 -0.505 5.957 1.00 0.00 C ATOM 413 CD LYS A 410 10.368 -0.438 7.460 1.00 0.00 C ATOM 414 CE LYS A 410 11.577 0.172 8.147 1.00 0.00 C ATOM 415 NZ LYS A 410 12.764 -0.721 8.083 1.00 0.00 N ATOM 0 H LYS A 410 10.052 -3.037 3.689 1.00 0.00 H new ATOM 0 HA LYS A 410 9.284 -2.789 6.534 1.00 0.00 H new ATOM 0 HB2 LYS A 410 9.467 -0.903 4.171 1.00 0.00 H new ATOM 0 HB3 LYS A 410 8.470 -0.522 5.561 1.00 0.00 H new ATOM 0 HG2 LYS A 410 11.441 -1.121 5.736 1.00 0.00 H new ATOM 0 HG3 LYS A 410 10.779 0.494 5.575 1.00 0.00 H new ATOM 0 HD2 LYS A 410 9.481 0.154 7.685 1.00 0.00 H new ATOM 0 HD3 LYS A 410 10.191 -1.440 7.851 1.00 0.00 H new ATOM 0 HE2 LYS A 410 11.816 1.127 7.679 1.00 0.00 H new ATOM 0 HE3 LYS A 410 11.335 0.379 9.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 410 13.524 -0.331 8.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 410 12.506 -1.667 8.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 410 13.094 -0.790 7.099 1.00 0.00 H new ATOM 429 N SER A 411 6.789 -2.774 6.032 1.00 0.00 N ATOM 430 CA SER A 411 5.398 -3.012 5.734 1.00 0.00 C ATOM 431 C SER A 411 4.572 -1.826 6.182 1.00 0.00 C ATOM 432 O SER A 411 4.984 -1.063 7.058 1.00 0.00 O ATOM 433 CB SER A 411 4.908 -4.296 6.398 1.00 0.00 C ATOM 434 OG SER A 411 3.549 -4.554 6.086 1.00 0.00 O ATOM 0 H SER A 411 6.981 -2.496 6.995 1.00 0.00 H new ATOM 0 HA SER A 411 5.286 -3.136 4.657 1.00 0.00 H new ATOM 0 HB2 SER A 411 5.523 -5.134 6.071 1.00 0.00 H new ATOM 0 HB3 SER A 411 5.026 -4.216 7.479 1.00 0.00 H new ATOM 0 HG SER A 411 3.265 -5.383 6.524 1.00 0.00 H new ATOM 440 N ILE A 412 3.414 -1.683 5.585 1.00 0.00 N ATOM 441 CA ILE A 412 2.555 -0.547 5.852 1.00 0.00 C ATOM 442 C ILE A 412 1.096 -0.936 5.703 1.00 0.00 C ATOM 443 O ILE A 412 0.722 -1.702 4.811 1.00 0.00 O ATOM 444 CB ILE A 412 2.889 0.642 4.919 1.00 0.00 C ATOM 445 CG1 ILE A 412 2.167 1.906 5.381 1.00 0.00 C ATOM 446 CG2 ILE A 412 2.537 0.323 3.473 1.00 0.00 C ATOM 447 CD1 ILE A 412 2.593 2.362 6.759 1.00 0.00 C ATOM 0 H ILE A 412 3.039 -2.344 4.904 1.00 0.00 H new ATOM 0 HA ILE A 412 2.733 -0.231 6.880 1.00 0.00 H new ATOM 0 HB ILE A 412 3.964 0.817 4.971 1.00 0.00 H new ATOM 0 HG12 ILE A 412 2.355 2.707 4.666 1.00 0.00 H new ATOM 0 HG13 ILE A 412 1.092 1.724 5.381 1.00 0.00 H new ATOM 0 HG21 ILE A 412 2.783 1.177 2.842 1.00 0.00 H new ATOM 0 HG22 ILE A 412 3.105 -0.547 3.144 1.00 0.00 H new ATOM 0 HG23 ILE A 412 1.471 0.110 3.397 1.00 0.00 H new ATOM 0 HD11 ILE A 412 2.044 3.264 7.030 1.00 0.00 H new ATOM 0 HD12 ILE A 412 2.380 1.577 7.484 1.00 0.00 H new ATOM 0 HD13 ILE A 412 3.662 2.574 6.758 1.00 0.00 H new ATOM 459 N ASP A 413 0.290 -0.423 6.608 1.00 0.00 N ATOM 460 CA ASP A 413 -1.134 -0.690 6.613 1.00 0.00 C ATOM 461 C ASP A 413 -1.825 0.188 5.588 1.00 0.00 C ATOM 462 O ASP A 413 -1.585 1.395 5.525 1.00 0.00 O ATOM 463 CB ASP A 413 -1.706 -0.415 7.997 1.00 0.00 C ATOM 464 CG ASP A 413 -3.193 -0.699 8.096 1.00 0.00 C ATOM 465 OD1 ASP A 413 -3.563 -1.848 8.408 1.00 0.00 O ATOM 466 OD2 ASP A 413 -4.000 0.237 7.885 1.00 0.00 O ATOM 0 H ASP A 413 0.602 0.190 7.361 1.00 0.00 H new ATOM 0 HA ASP A 413 -1.302 -1.737 6.359 1.00 0.00 H new ATOM 0 HB2 ASP A 413 -1.177 -1.024 8.730 1.00 0.00 H new ATOM 0 HB3 ASP A 413 -1.524 0.627 8.258 1.00 0.00 H new ATOM 471 N VAL A 414 -2.675 -0.420 4.794 1.00 0.00 N ATOM 472 CA VAL A 414 -3.374 0.284 3.734 1.00 0.00 C ATOM 473 C VAL A 414 -4.860 -0.023 3.798 1.00 0.00 C ATOM 474 O VAL A 414 -5.304 -1.099 3.392 1.00 0.00 O ATOM 475 CB VAL A 414 -2.839 -0.091 2.334 1.00 0.00 C ATOM 476 CG1 VAL A 414 -3.539 0.726 1.256 1.00 0.00 C ATOM 477 CG2 VAL A 414 -1.335 0.111 2.260 1.00 0.00 C ATOM 0 H VAL A 414 -2.904 -1.412 4.860 1.00 0.00 H new ATOM 0 HA VAL A 414 -3.201 1.349 3.887 1.00 0.00 H new ATOM 0 HB VAL A 414 -3.052 -1.146 2.161 1.00 0.00 H new ATOM 0 HG11 VAL A 414 -3.148 0.447 0.277 1.00 0.00 H new ATOM 0 HG12 VAL A 414 -4.611 0.529 1.289 1.00 0.00 H new ATOM 0 HG13 VAL A 414 -3.360 1.787 1.430 1.00 0.00 H new ATOM 0 HG21 VAL A 414 -0.980 -0.159 1.265 1.00 0.00 H new ATOM 0 HG22 VAL A 414 -1.098 1.156 2.458 1.00 0.00 H new ATOM 0 HG23 VAL A 414 -0.846 -0.519 3.003 1.00 0.00 H new ATOM 487 N ALA A 415 -5.617 0.911 4.340 1.00 0.00 N ATOM 488 CA ALA A 415 -7.055 0.766 4.427 1.00 0.00 C ATOM 489 C ALA A 415 -7.729 1.461 3.257 1.00 0.00 C ATOM 490 O ALA A 415 -7.630 2.679 3.099 1.00 0.00 O ATOM 491 CB ALA A 415 -7.570 1.321 5.743 1.00 0.00 C ATOM 0 H ALA A 415 -5.257 1.783 4.728 1.00 0.00 H new ATOM 0 HA ALA A 415 -7.297 -0.296 4.385 1.00 0.00 H new ATOM 0 HB1 ALA A 415 -8.653 1.203 5.789 1.00 0.00 H new ATOM 0 HB2 ALA A 415 -7.110 0.781 6.571 1.00 0.00 H new ATOM 0 HB3 ALA A 415 -7.317 2.379 5.816 1.00 0.00 H new ATOM 497 N CYS A 416 -8.388 0.685 2.425 1.00 0.00 N ATOM 498 CA CYS A 416 -9.159 1.245 1.335 1.00 0.00 C ATOM 499 C CYS A 416 -10.547 1.632 1.827 1.00 0.00 C ATOM 500 O CYS A 416 -10.890 1.375 2.983 1.00 0.00 O ATOM 501 CB CYS A 416 -9.247 0.255 0.174 1.00 0.00 C ATOM 502 SG CYS A 416 -7.639 -0.118 -0.598 1.00 0.00 S ATOM 0 H CYS A 416 -8.406 -0.333 2.481 1.00 0.00 H new ATOM 0 HA CYS A 416 -8.657 2.142 0.971 1.00 0.00 H new ATOM 0 HB2 CYS A 416 -9.691 -0.673 0.533 1.00 0.00 H new ATOM 0 HB3 CYS A 416 -9.919 0.657 -0.584 1.00 0.00 H new ATOM 507 N HIS A 417 -11.333 2.271 0.971 1.00 0.00 N ATOM 508 CA HIS A 417 -12.696 2.658 1.343 1.00 0.00 C ATOM 509 C HIS A 417 -13.542 1.420 1.637 1.00 0.00 C ATOM 510 O HIS A 417 -13.235 0.323 1.170 1.00 0.00 O ATOM 511 CB HIS A 417 -13.366 3.490 0.242 1.00 0.00 C ATOM 512 CG HIS A 417 -12.725 4.825 0.002 1.00 0.00 C ATOM 513 ND1 HIS A 417 -13.042 5.628 -1.072 1.00 0.00 N ATOM 514 CD2 HIS A 417 -11.786 5.501 0.707 1.00 0.00 C ATOM 515 CE1 HIS A 417 -12.324 6.733 -1.020 1.00 0.00 C ATOM 516 NE2 HIS A 417 -11.556 6.681 0.049 1.00 0.00 N ATOM 0 H HIS A 417 -11.059 2.532 0.024 1.00 0.00 H new ATOM 0 HA HIS A 417 -12.627 3.271 2.241 1.00 0.00 H new ATOM 0 HB2 HIS A 417 -13.352 2.921 -0.687 1.00 0.00 H new ATOM 0 HB3 HIS A 417 -14.412 3.644 0.505 1.00 0.00 H new ATOM 0 HD2 HIS A 417 -11.308 5.171 1.618 1.00 0.00 H new ATOM 0 HE1 HIS A 417 -12.360 7.543 -1.733 1.00 0.00 H new ATOM 0 HE2 HIS A 417 -10.896 7.403 0.340 1.00 0.00 H new ATOM 525 N PRO A 418 -14.613 1.593 2.427 1.00 0.00 N ATOM 526 CA PRO A 418 -15.522 0.507 2.815 1.00 0.00 C ATOM 527 C PRO A 418 -16.058 -0.262 1.615 1.00 0.00 C ATOM 528 O PRO A 418 -16.865 0.255 0.839 1.00 0.00 O ATOM 529 CB PRO A 418 -16.657 1.242 3.531 1.00 0.00 C ATOM 530 CG PRO A 418 -16.020 2.476 4.052 1.00 0.00 C ATOM 531 CD PRO A 418 -15.028 2.878 3.005 1.00 0.00 C ATOM 0 HA PRO A 418 -15.024 -0.244 3.428 1.00 0.00 H new ATOM 0 HB2 PRO A 418 -17.475 1.474 2.848 1.00 0.00 H new ATOM 0 HB3 PRO A 418 -17.076 0.639 4.337 1.00 0.00 H new ATOM 0 HG2 PRO A 418 -16.758 3.261 4.217 1.00 0.00 H new ATOM 0 HG3 PRO A 418 -15.531 2.293 5.009 1.00 0.00 H new ATOM 0 HD2 PRO A 418 -15.475 3.531 2.256 1.00 0.00 H new ATOM 0 HD3 PRO A 418 -14.184 3.418 3.435 1.00 0.00 H new ATOM 539 N GLY A 419 -15.610 -1.498 1.472 1.00 0.00 N ATOM 540 CA GLY A 419 -16.003 -2.305 0.337 1.00 0.00 C ATOM 541 C GLY A 419 -14.820 -2.662 -0.539 1.00 0.00 C ATOM 542 O GLY A 419 -14.921 -3.515 -1.422 1.00 0.00 O ATOM 0 H GLY A 419 -14.977 -1.960 2.126 1.00 0.00 H new ATOM 0 HA2 GLY A 419 -16.482 -3.218 0.690 1.00 0.00 H new ATOM 0 HA3 GLY A 419 -16.742 -1.765 -0.254 1.00 0.00 H new ATOM 546 N TYR A 420 -13.696 -2.004 -0.296 1.00 0.00 N ATOM 547 CA TYR A 420 -12.477 -2.269 -1.040 1.00 0.00 C ATOM 548 C TYR A 420 -11.399 -2.834 -0.124 1.00 0.00 C ATOM 549 O TYR A 420 -11.422 -2.619 1.091 1.00 0.00 O ATOM 550 CB TYR A 420 -11.967 -0.998 -1.722 1.00 0.00 C ATOM 551 CG TYR A 420 -12.830 -0.530 -2.872 1.00 0.00 C ATOM 552 CD1 TYR A 420 -12.605 -0.998 -4.159 1.00 0.00 C ATOM 553 CD2 TYR A 420 -13.864 0.374 -2.674 1.00 0.00 C ATOM 554 CE1 TYR A 420 -13.385 -0.578 -5.217 1.00 0.00 C ATOM 555 CE2 TYR A 420 -14.650 0.799 -3.729 1.00 0.00 C ATOM 556 CZ TYR A 420 -14.404 0.319 -4.996 1.00 0.00 C ATOM 557 OH TYR A 420 -15.182 0.736 -6.048 1.00 0.00 O ATOM 0 H TYR A 420 -13.605 -1.279 0.415 1.00 0.00 H new ATOM 0 HA TYR A 420 -12.709 -3.007 -1.808 1.00 0.00 H new ATOM 0 HB2 TYR A 420 -11.903 -0.201 -0.981 1.00 0.00 H new ATOM 0 HB3 TYR A 420 -10.956 -1.175 -2.088 1.00 0.00 H new ATOM 0 HD1 TYR A 420 -11.806 -1.703 -4.335 1.00 0.00 H new ATOM 0 HD2 TYR A 420 -14.058 0.751 -1.681 1.00 0.00 H new ATOM 0 HE1 TYR A 420 -13.196 -0.951 -6.213 1.00 0.00 H new ATOM 0 HE2 TYR A 420 -15.452 1.503 -3.561 1.00 0.00 H new ATOM 0 HH TYR A 420 -15.858 1.368 -5.725 1.00 0.00 H new ATOM 567 N ALA A 421 -10.462 -3.555 -0.716 1.00 0.00 N ATOM 568 CA ALA A 421 -9.365 -4.154 0.021 1.00 0.00 C ATOM 569 C ALA A 421 -8.190 -4.420 -0.911 1.00 0.00 C ATOM 570 O ALA A 421 -8.329 -4.345 -2.133 1.00 0.00 O ATOM 571 CB ALA A 421 -9.816 -5.446 0.693 1.00 0.00 C ATOM 0 H ALA A 421 -10.441 -3.741 -1.719 1.00 0.00 H new ATOM 0 HA ALA A 421 -9.045 -3.458 0.796 1.00 0.00 H new ATOM 0 HB1 ALA A 421 -8.981 -5.882 1.241 1.00 0.00 H new ATOM 0 HB2 ALA A 421 -10.631 -5.231 1.384 1.00 0.00 H new ATOM 0 HB3 ALA A 421 -10.159 -6.150 -0.065 1.00 0.00 H new ATOM 577 N LEU A 422 -7.042 -4.726 -0.328 1.00 0.00 N ATOM 578 CA LEU A 422 -5.844 -5.024 -1.099 1.00 0.00 C ATOM 579 C LEU A 422 -5.953 -6.384 -1.762 1.00 0.00 C ATOM 580 O LEU A 422 -6.658 -7.273 -1.274 1.00 0.00 O ATOM 581 CB LEU A 422 -4.612 -5.006 -0.201 1.00 0.00 C ATOM 582 CG LEU A 422 -4.199 -3.628 0.323 1.00 0.00 C ATOM 583 CD1 LEU A 422 -3.115 -3.766 1.372 1.00 0.00 C ATOM 584 CD2 LEU A 422 -3.713 -2.745 -0.814 1.00 0.00 C ATOM 0 H LEU A 422 -6.914 -4.775 0.683 1.00 0.00 H new ATOM 0 HA LEU A 422 -5.746 -4.257 -1.868 1.00 0.00 H new ATOM 0 HB2 LEU A 422 -4.796 -5.660 0.652 1.00 0.00 H new ATOM 0 HB3 LEU A 422 -3.774 -5.431 -0.754 1.00 0.00 H new ATOM 0 HG LEU A 422 -5.073 -3.160 0.777 1.00 0.00 H new ATOM 0 HD11 LEU A 422 -2.832 -2.778 1.735 1.00 0.00 H new ATOM 0 HD12 LEU A 422 -3.487 -4.365 2.203 1.00 0.00 H new ATOM 0 HD13 LEU A 422 -2.245 -4.255 0.934 1.00 0.00 H new ATOM 0 HD21 LEU A 422 -3.424 -1.770 -0.420 1.00 0.00 H new ATOM 0 HD22 LEU A 422 -2.853 -3.211 -1.295 1.00 0.00 H new ATOM 0 HD23 LEU A 422 -4.513 -2.619 -1.544 1.00 0.00 H new ATOM 596 N PRO A 423 -5.244 -6.553 -2.887 1.00 0.00 N ATOM 597 CA PRO A 423 -5.175 -7.822 -3.596 1.00 0.00 C ATOM 598 C PRO A 423 -4.743 -8.954 -2.678 1.00 0.00 C ATOM 599 O PRO A 423 -3.894 -8.766 -1.799 1.00 0.00 O ATOM 600 CB PRO A 423 -4.122 -7.576 -4.678 1.00 0.00 C ATOM 601 CG PRO A 423 -4.129 -6.104 -4.885 1.00 0.00 C ATOM 602 CD PRO A 423 -4.456 -5.503 -3.553 1.00 0.00 C ATOM 0 HA PRO A 423 -6.143 -8.123 -3.997 1.00 0.00 H new ATOM 0 HB2 PRO A 423 -3.140 -7.926 -4.361 1.00 0.00 H new ATOM 0 HB3 PRO A 423 -4.368 -8.106 -5.598 1.00 0.00 H new ATOM 0 HG2 PRO A 423 -3.160 -5.756 -5.243 1.00 0.00 H new ATOM 0 HG3 PRO A 423 -4.868 -5.819 -5.634 1.00 0.00 H new ATOM 0 HD2 PRO A 423 -3.555 -5.260 -2.990 1.00 0.00 H new ATOM 0 HD3 PRO A 423 -5.025 -4.579 -3.658 1.00 0.00 H new ATOM 610 N LYS A 424 -5.354 -10.114 -2.884 1.00 0.00 N ATOM 611 CA LYS A 424 -5.058 -11.325 -2.115 1.00 0.00 C ATOM 612 C LYS A 424 -5.585 -11.210 -0.687 1.00 0.00 C ATOM 613 O LYS A 424 -5.078 -11.867 0.228 1.00 0.00 O ATOM 614 CB LYS A 424 -3.555 -11.622 -2.115 1.00 0.00 C ATOM 615 CG LYS A 424 -2.960 -11.718 -3.511 1.00 0.00 C ATOM 616 CD LYS A 424 -1.452 -11.893 -3.474 1.00 0.00 C ATOM 617 CE LYS A 424 -0.854 -11.802 -4.870 1.00 0.00 C ATOM 618 NZ LYS A 424 -1.329 -12.892 -5.766 1.00 0.00 N ATOM 0 H LYS A 424 -6.075 -10.246 -3.594 1.00 0.00 H new ATOM 0 HA LYS A 424 -5.568 -12.158 -2.598 1.00 0.00 H new ATOM 0 HB2 LYS A 424 -3.037 -10.840 -1.560 1.00 0.00 H new ATOM 0 HB3 LYS A 424 -3.377 -12.559 -1.587 1.00 0.00 H new ATOM 0 HG2 LYS A 424 -3.410 -12.558 -4.040 1.00 0.00 H new ATOM 0 HG3 LYS A 424 -3.207 -10.818 -4.073 1.00 0.00 H new ATOM 0 HD2 LYS A 424 -1.010 -11.128 -2.835 1.00 0.00 H new ATOM 0 HD3 LYS A 424 -1.206 -12.859 -3.032 1.00 0.00 H new ATOM 0 HE2 LYS A 424 -1.110 -10.838 -5.309 1.00 0.00 H new ATOM 0 HE3 LYS A 424 0.233 -11.842 -4.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 424 -0.842 -12.825 -6.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 424 -1.123 -13.814 -5.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 424 -2.355 -12.799 -5.912 1.00 0.00 H new ATOM 632 N ALA A 425 -6.608 -10.366 -0.518 1.00 0.00 N ATOM 633 CA ALA A 425 -7.294 -10.188 0.763 1.00 0.00 C ATOM 634 C ALA A 425 -6.329 -9.727 1.849 1.00 0.00 C ATOM 635 O ALA A 425 -6.266 -10.303 2.936 1.00 0.00 O ATOM 636 CB ALA A 425 -8.004 -11.470 1.177 1.00 0.00 C ATOM 0 H ALA A 425 -6.984 -9.786 -1.269 1.00 0.00 H new ATOM 0 HA ALA A 425 -8.044 -9.408 0.634 1.00 0.00 H new ATOM 0 HB1 ALA A 425 -8.507 -11.315 2.132 1.00 0.00 H new ATOM 0 HB2 ALA A 425 -8.739 -11.740 0.419 1.00 0.00 H new ATOM 0 HB3 ALA A 425 -7.275 -12.274 1.277 1.00 0.00 H new ATOM 642 N GLN A 426 -5.585 -8.677 1.547 1.00 0.00 N ATOM 643 CA GLN A 426 -4.567 -8.181 2.451 1.00 0.00 C ATOM 644 C GLN A 426 -4.917 -6.791 2.966 1.00 0.00 C ATOM 645 O GLN A 426 -5.807 -6.127 2.433 1.00 0.00 O ATOM 646 CB GLN A 426 -3.226 -8.143 1.729 1.00 0.00 C ATOM 647 CG GLN A 426 -2.727 -9.510 1.302 1.00 0.00 C ATOM 648 CD GLN A 426 -1.443 -9.436 0.500 1.00 0.00 C ATOM 649 OE1 GLN A 426 -0.615 -10.346 0.541 1.00 0.00 O ATOM 650 NE2 GLN A 426 -1.268 -8.353 -0.239 1.00 0.00 N ATOM 0 H GLN A 426 -5.669 -8.150 0.677 1.00 0.00 H new ATOM 0 HA GLN A 426 -4.508 -8.852 3.308 1.00 0.00 H new ATOM 0 HB2 GLN A 426 -3.315 -7.507 0.849 1.00 0.00 H new ATOM 0 HB3 GLN A 426 -2.484 -7.682 2.382 1.00 0.00 H new ATOM 0 HG2 GLN A 426 -2.564 -10.126 2.186 1.00 0.00 H new ATOM 0 HG3 GLN A 426 -3.495 -10.004 0.707 1.00 0.00 H new ATOM 0 HE21 GLN A 426 -1.978 -7.620 -0.246 1.00 0.00 H new ATOM 0 HE22 GLN A 426 -0.423 -8.250 -0.802 1.00 0.00 H new ATOM 659 N THR A 427 -4.223 -6.366 4.017 1.00 0.00 N ATOM 660 CA THR A 427 -4.389 -5.023 4.550 1.00 0.00 C ATOM 661 C THR A 427 -3.035 -4.337 4.720 1.00 0.00 C ATOM 662 O THR A 427 -2.961 -3.163 5.084 1.00 0.00 O ATOM 663 CB THR A 427 -5.127 -5.035 5.903 1.00 0.00 C ATOM 664 OG1 THR A 427 -4.505 -5.966 6.796 1.00 0.00 O ATOM 665 CG2 THR A 427 -6.596 -5.398 5.725 1.00 0.00 C ATOM 0 H THR A 427 -3.539 -6.935 4.516 1.00 0.00 H new ATOM 0 HA THR A 427 -4.991 -4.467 3.832 1.00 0.00 H new ATOM 0 HB THR A 427 -5.069 -4.032 6.326 1.00 0.00 H new ATOM 0 HG1 THR A 427 -4.980 -5.965 7.653 1.00 0.00 H new ATOM 0 HG21 THR A 427 -7.091 -5.399 6.696 1.00 0.00 H new ATOM 0 HG22 THR A 427 -7.075 -4.667 5.074 1.00 0.00 H new ATOM 0 HG23 THR A 427 -6.674 -6.389 5.277 1.00 0.00 H new ATOM 673 N THR A 428 -1.964 -5.075 4.449 1.00 0.00 N ATOM 674 CA THR A 428 -0.627 -4.544 4.572 1.00 0.00 C ATOM 675 C THR A 428 0.178 -4.749 3.291 1.00 0.00 C ATOM 676 O THR A 428 0.109 -5.810 2.662 1.00 0.00 O ATOM 677 CB THR A 428 0.107 -5.205 5.746 1.00 0.00 C ATOM 678 OG1 THR A 428 -0.539 -6.435 6.112 1.00 0.00 O ATOM 679 CG2 THR A 428 0.164 -4.275 6.948 1.00 0.00 C ATOM 0 H THR A 428 -2.005 -6.047 4.142 1.00 0.00 H new ATOM 0 HA THR A 428 -0.718 -3.473 4.755 1.00 0.00 H new ATOM 0 HB THR A 428 1.127 -5.418 5.425 1.00 0.00 H new ATOM 0 HG1 THR A 428 -0.059 -6.846 6.861 1.00 0.00 H new ATOM 0 HG21 THR A 428 0.690 -4.769 7.765 1.00 0.00 H new ATOM 0 HG22 THR A 428 0.692 -3.361 6.676 1.00 0.00 H new ATOM 0 HG23 THR A 428 -0.849 -4.028 7.265 1.00 0.00 H new ATOM 687 N VAL A 429 0.926 -3.725 2.904 1.00 0.00 N ATOM 688 CA VAL A 429 1.791 -3.800 1.737 1.00 0.00 C ATOM 689 C VAL A 429 3.243 -3.717 2.172 1.00 0.00 C ATOM 690 O VAL A 429 3.616 -2.867 2.976 1.00 0.00 O ATOM 691 CB VAL A 429 1.500 -2.674 0.721 1.00 0.00 C ATOM 692 CG1 VAL A 429 2.235 -2.916 -0.581 1.00 0.00 C ATOM 693 CG2 VAL A 429 0.010 -2.543 0.465 1.00 0.00 C ATOM 0 H VAL A 429 0.950 -2.826 3.386 1.00 0.00 H new ATOM 0 HA VAL A 429 1.593 -4.753 1.246 1.00 0.00 H new ATOM 0 HB VAL A 429 1.859 -1.739 1.152 1.00 0.00 H new ATOM 0 HG11 VAL A 429 2.013 -2.109 -1.279 1.00 0.00 H new ATOM 0 HG12 VAL A 429 3.308 -2.948 -0.392 1.00 0.00 H new ATOM 0 HG13 VAL A 429 1.913 -3.865 -1.009 1.00 0.00 H new ATOM 0 HG21 VAL A 429 -0.167 -1.743 -0.254 1.00 0.00 H new ATOM 0 HG22 VAL A 429 -0.374 -3.481 0.065 1.00 0.00 H new ATOM 0 HG23 VAL A 429 -0.501 -2.310 1.399 1.00 0.00 H new ATOM 703 N THR A 430 4.053 -4.609 1.642 1.00 0.00 N ATOM 704 CA THR A 430 5.443 -4.704 2.029 1.00 0.00 C ATOM 705 C THR A 430 6.339 -4.036 0.991 1.00 0.00 C ATOM 706 O THR A 430 6.282 -4.369 -0.190 1.00 0.00 O ATOM 707 CB THR A 430 5.838 -6.182 2.178 1.00 0.00 C ATOM 708 OG1 THR A 430 4.893 -6.846 3.028 1.00 0.00 O ATOM 709 CG2 THR A 430 7.242 -6.331 2.752 1.00 0.00 C ATOM 0 H THR A 430 3.767 -5.285 0.934 1.00 0.00 H new ATOM 0 HA THR A 430 5.574 -4.191 2.982 1.00 0.00 H new ATOM 0 HB THR A 430 5.832 -6.637 1.188 1.00 0.00 H new ATOM 0 HG1 THR A 430 5.143 -7.789 3.122 1.00 0.00 H new ATOM 0 HG21 THR A 430 7.487 -7.389 2.843 1.00 0.00 H new ATOM 0 HG22 THR A 430 7.959 -5.848 2.089 1.00 0.00 H new ATOM 0 HG23 THR A 430 7.285 -5.862 3.735 1.00 0.00 H new ATOM 717 N CYS A 431 7.147 -3.084 1.431 1.00 0.00 N ATOM 718 CA CYS A 431 8.101 -2.423 0.556 1.00 0.00 C ATOM 719 C CYS A 431 9.121 -3.418 0.063 1.00 0.00 C ATOM 720 O CYS A 431 9.896 -3.955 0.855 1.00 0.00 O ATOM 721 CB CYS A 431 8.841 -1.299 1.281 1.00 0.00 C ATOM 722 SG CYS A 431 10.140 -0.506 0.275 1.00 0.00 S ATOM 0 H CYS A 431 7.160 -2.751 2.395 1.00 0.00 H new ATOM 0 HA CYS A 431 7.540 -2.001 -0.278 1.00 0.00 H new ATOM 0 HB2 CYS A 431 8.120 -0.542 1.590 1.00 0.00 H new ATOM 0 HB3 CYS A 431 9.291 -1.699 2.189 1.00 0.00 H new ATOM 727 N MET A 432 9.111 -3.684 -1.229 1.00 0.00 N ATOM 728 CA MET A 432 10.093 -4.557 -1.813 1.00 0.00 C ATOM 729 C MET A 432 10.527 -4.081 -3.173 1.00 0.00 C ATOM 730 O MET A 432 9.714 -3.740 -4.028 1.00 0.00 O ATOM 731 CB MET A 432 9.603 -5.987 -1.847 1.00 0.00 C ATOM 732 CG MET A 432 9.684 -6.615 -0.481 1.00 0.00 C ATOM 733 SD MET A 432 9.460 -8.403 -0.507 1.00 0.00 S ATOM 734 CE MET A 432 9.687 -8.803 1.224 1.00 0.00 C ATOM 0 H MET A 432 8.431 -3.305 -1.888 1.00 0.00 H new ATOM 0 HA MET A 432 10.976 -4.530 -1.174 1.00 0.00 H new ATOM 0 HB2 MET A 432 8.573 -6.015 -2.204 1.00 0.00 H new ATOM 0 HB3 MET A 432 10.201 -6.564 -2.553 1.00 0.00 H new ATOM 0 HG2 MET A 432 10.653 -6.383 -0.039 1.00 0.00 H new ATOM 0 HG3 MET A 432 8.925 -6.170 0.162 1.00 0.00 H new ATOM 0 HE1 MET A 432 10.321 -9.685 1.313 1.00 0.00 H new ATOM 0 HE2 MET A 432 10.160 -7.963 1.733 1.00 0.00 H new ATOM 0 HE3 MET A 432 8.718 -9.005 1.681 1.00 0.00 H new ATOM 744 N GLU A 433 11.840 -4.076 -3.316 1.00 0.00 N ATOM 745 CA GLU A 433 12.564 -3.508 -4.455 1.00 0.00 C ATOM 746 C GLU A 433 11.822 -2.346 -5.117 1.00 0.00 C ATOM 747 O GLU A 433 11.580 -2.357 -6.326 1.00 0.00 O ATOM 748 CB GLU A 433 12.916 -4.588 -5.471 1.00 0.00 C ATOM 749 CG GLU A 433 14.331 -4.453 -6.019 1.00 0.00 C ATOM 750 CD GLU A 433 15.402 -4.613 -4.960 1.00 0.00 C ATOM 751 OE1 GLU A 433 15.506 -3.745 -4.072 1.00 0.00 O ATOM 752 OE2 GLU A 433 16.155 -5.604 -5.026 1.00 0.00 O ATOM 0 H GLU A 433 12.462 -4.482 -2.617 1.00 0.00 H new ATOM 0 HA GLU A 433 13.490 -3.092 -4.057 1.00 0.00 H new ATOM 0 HB2 GLU A 433 12.805 -5.567 -5.005 1.00 0.00 H new ATOM 0 HB3 GLU A 433 12.207 -4.546 -6.298 1.00 0.00 H new ATOM 0 HG2 GLU A 433 14.485 -5.201 -6.797 1.00 0.00 H new ATOM 0 HG3 GLU A 433 14.439 -3.476 -6.490 1.00 0.00 H new ATOM 759 N ASN A 434 11.442 -1.362 -4.285 1.00 0.00 N ATOM 760 CA ASN A 434 10.883 -0.078 -4.742 1.00 0.00 C ATOM 761 C ASN A 434 9.425 -0.225 -5.185 1.00 0.00 C ATOM 762 O ASN A 434 8.647 0.731 -5.128 1.00 0.00 O ATOM 763 CB ASN A 434 11.745 0.492 -5.882 1.00 0.00 C ATOM 764 CG ASN A 434 11.646 2.000 -6.061 1.00 0.00 C ATOM 765 OD1 ASN A 434 12.636 2.647 -6.399 1.00 0.00 O ATOM 766 ND2 ASN A 434 10.470 2.568 -5.866 1.00 0.00 N ATOM 0 H ASN A 434 11.514 -1.435 -3.270 1.00 0.00 H new ATOM 0 HA ASN A 434 10.898 0.618 -3.903 1.00 0.00 H new ATOM 0 HB2 ASN A 434 12.787 0.229 -5.698 1.00 0.00 H new ATOM 0 HB3 ASN A 434 11.455 0.009 -6.815 1.00 0.00 H new ATOM 0 HD21 ASN A 434 10.362 3.574 -5.995 1.00 0.00 H new ATOM 0 HD22 ASN A 434 9.670 2.001 -5.586 1.00 0.00 H new ATOM 773 N GLY A 435 9.047 -1.423 -5.590 1.00 0.00 N ATOM 774 CA GLY A 435 7.731 -1.637 -6.140 1.00 0.00 C ATOM 775 C GLY A 435 6.883 -2.557 -5.297 1.00 0.00 C ATOM 776 O GLY A 435 6.516 -3.631 -5.762 1.00 0.00 O ATOM 0 H GLY A 435 9.633 -2.257 -5.547 1.00 0.00 H new ATOM 0 HA2 GLY A 435 7.225 -0.677 -6.242 1.00 0.00 H new ATOM 0 HA3 GLY A 435 7.825 -2.055 -7.142 1.00 0.00 H new ATOM 780 N TRP A 436 6.638 -2.135 -4.046 1.00 0.00 N ATOM 781 CA TRP A 436 5.663 -2.739 -3.128 1.00 0.00 C ATOM 782 C TRP A 436 5.270 -4.180 -3.481 1.00 0.00 C ATOM 783 O TRP A 436 4.462 -4.404 -4.385 1.00 0.00 O ATOM 784 CB TRP A 436 4.422 -1.857 -3.088 1.00 0.00 C ATOM 785 CG TRP A 436 4.666 -0.482 -2.528 1.00 0.00 C ATOM 786 CD1 TRP A 436 4.689 0.698 -3.221 1.00 0.00 C ATOM 787 CD2 TRP A 436 4.917 -0.142 -1.158 1.00 0.00 C ATOM 788 NE1 TRP A 436 4.929 1.745 -2.362 1.00 0.00 N ATOM 789 CE2 TRP A 436 5.076 1.256 -1.094 1.00 0.00 C ATOM 790 CE3 TRP A 436 5.019 -0.881 0.020 1.00 0.00 C ATOM 791 CZ2 TRP A 436 5.332 1.924 0.100 1.00 0.00 C ATOM 792 CZ3 TRP A 436 5.275 -0.218 1.204 1.00 0.00 C ATOM 793 CH2 TRP A 436 5.427 1.171 1.237 1.00 0.00 C ATOM 0 H TRP A 436 7.128 -1.341 -3.635 1.00 0.00 H new ATOM 0 HA TRP A 436 6.143 -2.800 -2.151 1.00 0.00 H new ATOM 0 HB2 TRP A 436 4.024 -1.761 -4.098 1.00 0.00 H new ATOM 0 HB3 TRP A 436 3.657 -2.351 -2.490 1.00 0.00 H new ATOM 0 HD1 TRP A 436 4.540 0.793 -4.286 1.00 0.00 H new ATOM 0 HE1 TRP A 436 4.988 2.728 -2.628 1.00 0.00 H new ATOM 0 HE3 TRP A 436 4.900 -1.954 0.007 1.00 0.00 H new ATOM 0 HZ2 TRP A 436 5.451 2.997 0.127 1.00 0.00 H new ATOM 0 HZ3 TRP A 436 5.359 -0.783 2.121 1.00 0.00 H new ATOM 0 HH2 TRP A 436 5.624 1.659 2.180 1.00 0.00 H new ATOM 804 N SER A 437 5.775 -5.134 -2.694 1.00 0.00 N ATOM 805 CA SER A 437 5.718 -6.562 -3.027 1.00 0.00 C ATOM 806 C SER A 437 4.328 -7.017 -3.483 1.00 0.00 C ATOM 807 O SER A 437 4.177 -7.501 -4.602 1.00 0.00 O ATOM 808 CB SER A 437 6.187 -7.394 -1.824 1.00 0.00 C ATOM 809 OG SER A 437 6.041 -8.784 -2.056 1.00 0.00 O ATOM 0 H SER A 437 6.236 -4.938 -1.806 1.00 0.00 H new ATOM 0 HA SER A 437 6.387 -6.722 -3.873 1.00 0.00 H new ATOM 0 HB2 SER A 437 7.232 -7.169 -1.612 1.00 0.00 H new ATOM 0 HB3 SER A 437 5.614 -7.111 -0.941 1.00 0.00 H new ATOM 0 HG SER A 437 6.351 -9.281 -1.270 1.00 0.00 H new ATOM 815 N PRO A 438 3.287 -6.869 -2.643 1.00 0.00 N ATOM 816 CA PRO A 438 1.966 -7.387 -2.970 1.00 0.00 C ATOM 817 C PRO A 438 1.133 -6.430 -3.816 1.00 0.00 C ATOM 818 O PRO A 438 0.033 -6.770 -4.248 1.00 0.00 O ATOM 819 CB PRO A 438 1.361 -7.567 -1.595 1.00 0.00 C ATOM 820 CG PRO A 438 1.900 -6.433 -0.806 1.00 0.00 C ATOM 821 CD PRO A 438 3.297 -6.217 -1.313 1.00 0.00 C ATOM 0 HA PRO A 438 2.007 -8.292 -3.576 1.00 0.00 H new ATOM 0 HB2 PRO A 438 0.272 -7.543 -1.633 1.00 0.00 H new ATOM 0 HB3 PRO A 438 1.643 -8.525 -1.159 1.00 0.00 H new ATOM 0 HG2 PRO A 438 1.292 -5.538 -0.939 1.00 0.00 H new ATOM 0 HG3 PRO A 438 1.901 -6.662 0.260 1.00 0.00 H new ATOM 0 HD2 PRO A 438 3.537 -5.156 -1.388 1.00 0.00 H new ATOM 0 HD3 PRO A 438 4.038 -6.666 -0.651 1.00 0.00 H new ATOM 829 N THR A 439 1.685 -5.239 -4.038 1.00 0.00 N ATOM 830 CA THR A 439 1.065 -4.204 -4.863 1.00 0.00 C ATOM 831 C THR A 439 -0.129 -3.543 -4.156 1.00 0.00 C ATOM 832 O THR A 439 -1.124 -4.194 -3.845 1.00 0.00 O ATOM 833 CB THR A 439 0.627 -4.768 -6.232 1.00 0.00 C ATOM 834 OG1 THR A 439 1.734 -5.442 -6.851 1.00 0.00 O ATOM 835 CG2 THR A 439 0.136 -3.658 -7.148 1.00 0.00 C ATOM 0 H THR A 439 2.585 -4.962 -3.646 1.00 0.00 H new ATOM 0 HA THR A 439 1.823 -3.438 -5.027 1.00 0.00 H new ATOM 0 HB THR A 439 -0.192 -5.469 -6.068 1.00 0.00 H new ATOM 0 HG1 THR A 439 1.454 -5.801 -7.719 1.00 0.00 H new ATOM 0 HG21 THR A 439 -0.166 -4.083 -8.105 1.00 0.00 H new ATOM 0 HG22 THR A 439 -0.716 -3.157 -6.688 1.00 0.00 H new ATOM 0 HG23 THR A 439 0.938 -2.937 -7.308 1.00 0.00 H new ATOM 843 N PRO A 440 -0.030 -2.233 -3.875 1.00 0.00 N ATOM 844 CA PRO A 440 -1.111 -1.481 -3.243 1.00 0.00 C ATOM 845 C PRO A 440 -2.235 -1.153 -4.220 1.00 0.00 C ATOM 846 O PRO A 440 -2.074 -0.332 -5.125 1.00 0.00 O ATOM 847 CB PRO A 440 -0.428 -0.206 -2.754 1.00 0.00 C ATOM 848 CG PRO A 440 0.760 -0.026 -3.638 1.00 0.00 C ATOM 849 CD PRO A 440 1.147 -1.391 -4.150 1.00 0.00 C ATOM 0 HA PRO A 440 -1.589 -2.049 -2.444 1.00 0.00 H new ATOM 0 HB2 PRO A 440 -1.100 0.650 -2.821 1.00 0.00 H new ATOM 0 HB3 PRO A 440 -0.130 -0.296 -1.709 1.00 0.00 H new ATOM 0 HG2 PRO A 440 0.525 0.643 -4.466 1.00 0.00 H new ATOM 0 HG3 PRO A 440 1.585 0.426 -3.087 1.00 0.00 H new ATOM 0 HD2 PRO A 440 1.377 -1.365 -5.215 1.00 0.00 H new ATOM 0 HD3 PRO A 440 2.034 -1.769 -3.641 1.00 0.00 H new ATOM 857 N ARG A 441 -3.368 -1.810 -4.030 1.00 0.00 N ATOM 858 CA ARG A 441 -4.536 -1.613 -4.882 1.00 0.00 C ATOM 859 C ARG A 441 -5.809 -1.770 -4.070 1.00 0.00 C ATOM 860 O ARG A 441 -5.835 -2.501 -3.083 1.00 0.00 O ATOM 861 CB ARG A 441 -4.562 -2.622 -6.034 1.00 0.00 C ATOM 862 CG ARG A 441 -3.482 -2.422 -7.080 1.00 0.00 C ATOM 863 CD ARG A 441 -3.688 -3.364 -8.250 1.00 0.00 C ATOM 864 NE ARG A 441 -5.007 -3.181 -8.859 1.00 0.00 N ATOM 865 CZ ARG A 441 -5.642 -4.113 -9.564 1.00 0.00 C ATOM 866 NH1 ARG A 441 -5.084 -5.300 -9.764 1.00 0.00 N ATOM 867 NH2 ARG A 441 -6.844 -3.854 -10.064 1.00 0.00 N ATOM 0 H ARG A 441 -3.507 -2.493 -3.285 1.00 0.00 H new ATOM 0 HA ARG A 441 -4.474 -0.606 -5.294 1.00 0.00 H new ATOM 0 HB2 ARG A 441 -4.466 -3.626 -5.621 1.00 0.00 H new ATOM 0 HB3 ARG A 441 -5.535 -2.570 -6.522 1.00 0.00 H new ATOM 0 HG2 ARG A 441 -3.495 -1.390 -7.431 1.00 0.00 H new ATOM 0 HG3 ARG A 441 -2.502 -2.595 -6.636 1.00 0.00 H new ATOM 0 HD2 ARG A 441 -2.914 -3.192 -8.998 1.00 0.00 H new ATOM 0 HD3 ARG A 441 -3.582 -4.395 -7.912 1.00 0.00 H new ATOM 0 HE ARG A 441 -5.469 -2.280 -8.734 1.00 0.00 H new ATOM 0 HH11 ARG A 441 -4.163 -5.502 -9.376 1.00 0.00 H new ATOM 0 HH12 ARG A 441 -5.576 -6.010 -10.306 1.00 0.00 H new ATOM 0 HH21 ARG A 441 -7.276 -2.944 -9.907 1.00 0.00 H new ATOM 0 HH22 ARG A 441 -7.335 -4.565 -10.605 1.00 0.00 H new ATOM 881 N CYS A 442 -6.863 -1.098 -4.489 1.00 0.00 N ATOM 882 CA CYS A 442 -8.148 -1.222 -3.826 1.00 0.00 C ATOM 883 C CYS A 442 -9.140 -1.936 -4.728 1.00 0.00 C ATOM 884 O CYS A 442 -9.830 -1.312 -5.535 1.00 0.00 O ATOM 885 CB CYS A 442 -8.681 0.154 -3.433 1.00 0.00 C ATOM 886 SG CYS A 442 -7.613 1.051 -2.259 1.00 0.00 S ATOM 0 H CYS A 442 -6.856 -0.460 -5.285 1.00 0.00 H new ATOM 0 HA CYS A 442 -8.015 -1.812 -2.919 1.00 0.00 H new ATOM 0 HB2 CYS A 442 -8.802 0.757 -4.333 1.00 0.00 H new ATOM 0 HB3 CYS A 442 -9.671 0.037 -2.992 1.00 0.00 H new ATOM 891 N ILE A 443 -9.194 -3.251 -4.607 1.00 0.00 N ATOM 892 CA ILE A 443 -10.154 -4.038 -5.358 1.00 0.00 C ATOM 893 C ILE A 443 -11.396 -4.214 -4.509 1.00 0.00 C ATOM 894 O ILE A 443 -11.333 -4.129 -3.283 1.00 0.00 O ATOM 895 CB ILE A 443 -9.599 -5.427 -5.739 1.00 0.00 C ATOM 896 CG1 ILE A 443 -8.159 -5.307 -6.234 1.00 0.00 C ATOM 897 CG2 ILE A 443 -10.472 -6.078 -6.808 1.00 0.00 C ATOM 898 CD1 ILE A 443 -7.512 -6.637 -6.563 1.00 0.00 C ATOM 0 H ILE A 443 -8.585 -3.795 -3.996 1.00 0.00 H new ATOM 0 HA ILE A 443 -10.378 -3.510 -6.285 1.00 0.00 H new ATOM 0 HB ILE A 443 -9.612 -6.058 -4.850 1.00 0.00 H new ATOM 0 HG12 ILE A 443 -8.142 -4.676 -7.122 1.00 0.00 H new ATOM 0 HG13 ILE A 443 -7.564 -4.803 -5.473 1.00 0.00 H new ATOM 0 HG21 ILE A 443 -10.065 -7.056 -7.064 1.00 0.00 H new ATOM 0 HG22 ILE A 443 -11.487 -6.195 -6.427 1.00 0.00 H new ATOM 0 HG23 ILE A 443 -10.489 -5.448 -7.697 1.00 0.00 H new ATOM 0 HD11 ILE A 443 -6.491 -6.470 -6.908 1.00 0.00 H new ATOM 0 HD12 ILE A 443 -7.496 -7.264 -5.672 1.00 0.00 H new ATOM 0 HD13 ILE A 443 -8.083 -7.135 -7.347 1.00 0.00 H new ATOM 910 N ARG A 444 -12.518 -4.453 -5.151 1.00 0.00 N ATOM 911 CA ARG A 444 -13.777 -4.539 -4.435 1.00 0.00 C ATOM 912 C ARG A 444 -13.943 -5.919 -3.837 1.00 0.00 C ATOM 913 O ARG A 444 -13.936 -6.929 -4.541 1.00 0.00 O ATOM 914 CB ARG A 444 -14.956 -4.208 -5.343 1.00 0.00 C ATOM 915 CG ARG A 444 -16.122 -3.589 -4.596 1.00 0.00 C ATOM 916 CD ARG A 444 -17.324 -3.370 -5.500 1.00 0.00 C ATOM 917 NE ARG A 444 -18.011 -4.621 -5.803 1.00 0.00 N ATOM 918 CZ ARG A 444 -18.399 -4.992 -7.018 1.00 0.00 C ATOM 919 NH1 ARG A 444 -18.139 -4.225 -8.071 1.00 0.00 N ATOM 920 NH2 ARG A 444 -19.039 -6.143 -7.176 1.00 0.00 N ATOM 0 H ARG A 444 -12.588 -4.591 -6.159 1.00 0.00 H new ATOM 0 HA ARG A 444 -13.759 -3.803 -3.631 1.00 0.00 H new ATOM 0 HB2 ARG A 444 -14.626 -3.522 -6.123 1.00 0.00 H new ATOM 0 HB3 ARG A 444 -15.292 -5.118 -5.840 1.00 0.00 H new ATOM 0 HG2 ARG A 444 -16.406 -4.236 -3.766 1.00 0.00 H new ATOM 0 HG3 ARG A 444 -15.813 -2.636 -4.166 1.00 0.00 H new ATOM 0 HD2 ARG A 444 -18.019 -2.681 -5.020 1.00 0.00 H new ATOM 0 HD3 ARG A 444 -16.999 -2.900 -6.428 1.00 0.00 H new ATOM 0 HE ARG A 444 -18.207 -5.255 -5.028 1.00 0.00 H new ATOM 0 HH11 ARG A 444 -17.638 -3.345 -7.950 1.00 0.00 H new ATOM 0 HH12 ARG A 444 -18.440 -4.516 -9.001 1.00 0.00 H new ATOM 0 HH21 ARG A 444 -19.230 -6.736 -6.368 1.00 0.00 H new ATOM 0 HH22 ARG A 444 -19.340 -6.435 -8.105 1.00 0.00 H new ATOM 934 N VAL A 445 -14.098 -5.939 -2.531 1.00 0.00 N ATOM 935 CA VAL A 445 -14.166 -7.176 -1.777 1.00 0.00 C ATOM 936 C VAL A 445 -15.615 -7.633 -1.628 1.00 0.00 C ATOM 937 O VAL A 445 -15.890 -8.770 -1.241 1.00 0.00 O ATOM 938 CB VAL A 445 -13.508 -6.996 -0.389 1.00 0.00 C ATOM 939 CG1 VAL A 445 -14.364 -6.127 0.521 1.00 0.00 C ATOM 940 CG2 VAL A 445 -13.214 -8.341 0.259 1.00 0.00 C ATOM 0 H VAL A 445 -14.181 -5.098 -1.960 1.00 0.00 H new ATOM 0 HA VAL A 445 -13.619 -7.945 -2.322 1.00 0.00 H new ATOM 0 HB VAL A 445 -12.558 -6.483 -0.540 1.00 0.00 H new ATOM 0 HG11 VAL A 445 -13.874 -6.020 1.489 1.00 0.00 H new ATOM 0 HG12 VAL A 445 -14.493 -5.144 0.069 1.00 0.00 H new ATOM 0 HG13 VAL A 445 -15.339 -6.594 0.658 1.00 0.00 H new ATOM 0 HG21 VAL A 445 -12.752 -8.182 1.233 1.00 0.00 H new ATOM 0 HG22 VAL A 445 -14.144 -8.895 0.385 1.00 0.00 H new ATOM 0 HG23 VAL A 445 -12.535 -8.910 -0.376 1.00 0.00 H new ATOM 950 N LYS A 446 -16.539 -6.742 -1.958 1.00 0.00 N ATOM 951 CA LYS A 446 -17.956 -7.048 -1.875 1.00 0.00 C ATOM 952 C LYS A 446 -18.485 -7.462 -3.245 1.00 0.00 C ATOM 953 O LYS A 446 -18.788 -8.660 -3.434 1.00 0.00 O ATOM 954 CB LYS A 446 -18.737 -5.837 -1.353 1.00 0.00 C ATOM 955 CG LYS A 446 -20.165 -6.169 -0.959 1.00 0.00 C ATOM 956 CD LYS A 446 -20.212 -6.990 0.320 1.00 0.00 C ATOM 957 CE LYS A 446 -21.563 -7.661 0.506 1.00 0.00 C ATOM 958 NZ LYS A 446 -21.769 -8.768 -0.470 1.00 0.00 N ATOM 959 OXT LYS A 446 -18.573 -6.591 -4.134 1.00 0.00 O ATOM 0 H LYS A 446 -16.330 -5.799 -2.286 1.00 0.00 H new ATOM 0 HA LYS A 446 -18.092 -7.875 -1.178 1.00 0.00 H new ATOM 0 HB2 LYS A 446 -18.216 -5.422 -0.490 1.00 0.00 H new ATOM 0 HB3 LYS A 446 -18.750 -5.063 -2.120 1.00 0.00 H new ATOM 0 HG2 LYS A 446 -20.730 -5.247 -0.822 1.00 0.00 H new ATOM 0 HG3 LYS A 446 -20.647 -6.721 -1.765 1.00 0.00 H new ATOM 0 HD2 LYS A 446 -19.429 -7.748 0.295 1.00 0.00 H new ATOM 0 HD3 LYS A 446 -20.005 -6.346 1.174 1.00 0.00 H new ATOM 0 HE2 LYS A 446 -21.638 -8.052 1.521 1.00 0.00 H new ATOM 0 HE3 LYS A 446 -22.355 -6.922 0.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 446 -22.545 -9.378 -0.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 446 -22.009 -8.370 -1.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 446 -20.897 -9.329 -0.548 1.00 0.00 H new TER 973 LYS A 446