USER MOD reduce.3.24.130724 H: found=0, std=0, add=304, rem=0, adj=11 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 405 SER OG : rot 153:sc= -2.44! USER MOD Set 1.2: A 418 GLN : amide:sc= -0.438 K(o=-2.9,f=-2.2) USER MOD Single : A 384 SER OG : rot 24:sc= 0.114 USER MOD Single : A 390 ASN : amide:sc= -0.556 K(o=-0.56,f=-0.016) USER MOD Single : A 391 LYS NZ :NH3+ -122:sc= 0.384 (180deg=0.112) USER MOD Single : A 393 THR OG1 : rot 2:sc= 1.06 USER MOD Single : A 397 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 399 SER OG : rot 180:sc= 0 USER MOD Single : A 402 LYS NZ :NH3+ 161:sc= -0.0895 (180deg=-1.31!) USER MOD Single : A 407 HIS : no HE2:sc= 1.02 K(o=1,f=-5.1!) USER MOD Single : A 408 LYS NZ :NH3+ -157:sc= -0.509 (180deg=-1.26) USER MOD Single : A 411 LYS NZ :NH3+ -174:sc=-0.00317 (180deg=-0.0547) USER MOD Single : A 415 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 416 ASN : amide:sc= -0.845 X(o=-0.85,f=-1.1) USER MOD Single : A 420 ASN : amide:sc= -3.37 K(o=-3.4,f=-5.1!) USER MOD Single : A 421 SER OG : rot 180:sc= 0 USER MOD Single : A 422 THR OG1 : rot -57:sc= 0.113 USER MOD Single : A 423 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 32 N SER A 384 -5.997 11.321 1.023 1.00 0.00 N ATOM 33 CA SER A 384 -5.981 10.636 -0.258 1.00 0.00 C ATOM 34 C SER A 384 -5.586 9.182 -0.035 1.00 0.00 C ATOM 35 O SER A 384 -4.685 8.911 0.750 1.00 0.00 O ATOM 36 CB SER A 384 -4.988 11.306 -1.210 1.00 0.00 C ATOM 37 OG SER A 384 -5.263 12.691 -1.352 1.00 0.00 O ATOM 0 HA SER A 384 -6.973 10.686 -0.707 1.00 0.00 H new ATOM 0 HB2 SER A 384 -3.974 11.171 -0.834 1.00 0.00 H new ATOM 0 HB3 SER A 384 -5.034 10.822 -2.186 1.00 0.00 H new ATOM 0 HG SER A 384 -5.752 13.010 -0.565 1.00 0.00 H new ATOM 43 N PRO A 385 -6.283 8.230 -0.668 1.00 0.00 N ATOM 44 CA PRO A 385 -6.034 6.799 -0.460 1.00 0.00 C ATOM 45 C PRO A 385 -4.563 6.422 -0.630 1.00 0.00 C ATOM 46 O PRO A 385 -4.006 5.696 0.189 1.00 0.00 O ATOM 47 CB PRO A 385 -6.889 6.127 -1.531 1.00 0.00 C ATOM 48 CG PRO A 385 -7.987 7.093 -1.809 1.00 0.00 C ATOM 49 CD PRO A 385 -7.416 8.467 -1.581 1.00 0.00 C ATOM 0 HA PRO A 385 -6.282 6.492 0.556 1.00 0.00 H new ATOM 0 HB2 PRO A 385 -6.307 5.922 -2.429 1.00 0.00 H new ATOM 0 HB3 PRO A 385 -7.282 5.173 -1.181 1.00 0.00 H new ATOM 0 HG2 PRO A 385 -8.347 6.987 -2.833 1.00 0.00 H new ATOM 0 HG3 PRO A 385 -8.838 6.913 -1.152 1.00 0.00 H new ATOM 0 HD2 PRO A 385 -7.088 8.924 -2.515 1.00 0.00 H new ATOM 0 HD3 PRO A 385 -8.152 9.138 -1.139 1.00 0.00 H new ATOM 57 N GLU A 386 -3.922 6.967 -1.660 1.00 0.00 N ATOM 58 CA GLU A 386 -2.503 6.716 -1.893 1.00 0.00 C ATOM 59 C GLU A 386 -1.662 7.245 -0.735 1.00 0.00 C ATOM 60 O GLU A 386 -0.825 6.528 -0.185 1.00 0.00 O ATOM 61 CB GLU A 386 -2.061 7.374 -3.197 1.00 0.00 C ATOM 62 CG GLU A 386 -0.617 7.083 -3.568 1.00 0.00 C ATOM 63 CD GLU A 386 -0.173 7.843 -4.800 1.00 0.00 C ATOM 64 OE1 GLU A 386 -0.968 8.658 -5.315 1.00 0.00 O ATOM 65 OE2 GLU A 386 0.974 7.638 -5.253 1.00 0.00 O ATOM 0 H GLU A 386 -4.361 7.583 -2.344 1.00 0.00 H new ATOM 0 HA GLU A 386 -2.354 5.639 -1.966 1.00 0.00 H new ATOM 0 HB2 GLU A 386 -2.710 7.034 -4.004 1.00 0.00 H new ATOM 0 HB3 GLU A 386 -2.195 8.452 -3.113 1.00 0.00 H new ATOM 0 HG2 GLU A 386 0.030 7.344 -2.731 1.00 0.00 H new ATOM 0 HG3 GLU A 386 -0.498 6.014 -3.742 1.00 0.00 H new ATOM 72 N ALA A 387 -1.943 8.479 -0.331 1.00 0.00 N ATOM 73 CA ALA A 387 -1.257 9.102 0.793 1.00 0.00 C ATOM 74 C ALA A 387 -1.497 8.315 2.075 1.00 0.00 C ATOM 75 O ALA A 387 -0.596 8.172 2.906 1.00 0.00 O ATOM 76 CB ALA A 387 -1.709 10.544 0.954 1.00 0.00 C ATOM 0 H ALA A 387 -2.648 9.071 -0.770 1.00 0.00 H new ATOM 0 HA ALA A 387 -0.186 9.097 0.590 1.00 0.00 H new ATOM 0 HB1 ALA A 387 -1.188 10.997 1.798 1.00 0.00 H new ATOM 0 HB2 ALA A 387 -1.480 11.101 0.045 1.00 0.00 H new ATOM 0 HB3 ALA A 387 -2.784 10.570 1.135 1.00 0.00 H new ATOM 82 N GLU A 388 -2.706 7.779 2.212 1.00 0.00 N ATOM 83 CA GLU A 388 -3.057 6.959 3.362 1.00 0.00 C ATOM 84 C GLU A 388 -2.207 5.697 3.390 1.00 0.00 C ATOM 85 O GLU A 388 -1.555 5.416 4.392 1.00 0.00 O ATOM 86 CB GLU A 388 -4.543 6.602 3.334 1.00 0.00 C ATOM 87 CG GLU A 388 -5.454 7.800 3.547 1.00 0.00 C ATOM 88 CD GLU A 388 -5.332 8.379 4.941 1.00 0.00 C ATOM 89 OE1 GLU A 388 -5.728 7.693 5.906 1.00 0.00 O ATOM 90 OE2 GLU A 388 -4.840 9.521 5.078 1.00 0.00 O ATOM 0 H GLU A 388 -3.461 7.900 1.537 1.00 0.00 H new ATOM 0 HA GLU A 388 -2.859 7.532 4.268 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -4.780 6.140 2.376 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -4.745 5.859 4.105 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -5.213 8.570 2.814 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -6.488 7.503 3.369 1.00 0.00 H new ATOM 97 N CYS A 389 -2.147 4.988 2.262 1.00 0.00 N ATOM 98 CA CYS A 389 -1.309 3.800 2.145 1.00 0.00 C ATOM 99 C CYS A 389 0.145 4.121 2.493 1.00 0.00 C ATOM 100 O CYS A 389 0.806 3.358 3.194 1.00 0.00 O ATOM 101 CB CYS A 389 -1.391 3.243 0.726 1.00 0.00 C ATOM 102 SG CYS A 389 -3.079 2.839 0.173 1.00 0.00 S ATOM 0 H CYS A 389 -2.670 5.218 1.417 1.00 0.00 H new ATOM 0 HA CYS A 389 -1.674 3.053 2.849 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -0.961 3.970 0.038 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -0.777 2.344 0.665 1.00 0.00 H new ATOM 107 N ASN A 390 0.621 5.279 2.041 1.00 0.00 N ATOM 108 CA ASN A 390 1.993 5.718 2.316 1.00 0.00 C ATOM 109 C ASN A 390 2.292 5.747 3.816 1.00 0.00 C ATOM 110 O ASN A 390 3.443 5.613 4.224 1.00 0.00 O ATOM 111 CB ASN A 390 2.251 7.111 1.735 1.00 0.00 C ATOM 112 CG ASN A 390 2.408 7.135 0.222 1.00 0.00 C ATOM 113 OD1 ASN A 390 2.609 8.199 -0.361 1.00 0.00 O ATOM 114 ND2 ASN A 390 2.339 5.979 -0.427 1.00 0.00 N ATOM 0 H ASN A 390 0.077 5.935 1.480 1.00 0.00 H new ATOM 0 HA ASN A 390 2.652 4.992 1.839 1.00 0.00 H new ATOM 0 HB2 ASN A 390 1.427 7.767 2.014 1.00 0.00 H new ATOM 0 HB3 ASN A 390 3.153 7.521 2.189 1.00 0.00 H new ATOM 0 HD21 ASN A 390 2.454 5.955 -1.440 1.00 0.00 H new ATOM 0 HD22 ASN A 390 2.171 5.114 0.088 1.00 0.00 H new ATOM 121 N LYS A 391 1.268 5.993 4.625 1.00 0.00 N ATOM 122 CA LYS A 391 1.436 6.107 6.073 1.00 0.00 C ATOM 123 C LYS A 391 1.828 4.769 6.703 1.00 0.00 C ATOM 124 O LYS A 391 2.515 4.738 7.722 1.00 0.00 O ATOM 125 CB LYS A 391 0.148 6.619 6.722 1.00 0.00 C ATOM 126 CG LYS A 391 -0.322 7.965 6.193 1.00 0.00 C ATOM 127 CD LYS A 391 0.683 9.066 6.481 1.00 0.00 C ATOM 128 CE LYS A 391 0.176 10.420 6.011 1.00 0.00 C ATOM 129 NZ LYS A 391 -0.063 10.445 4.545 1.00 0.00 N ATOM 0 H LYS A 391 0.308 6.118 4.303 1.00 0.00 H new ATOM 0 HA LYS A 391 2.242 6.819 6.251 1.00 0.00 H new ATOM 0 HB2 LYS A 391 -0.642 5.884 6.566 1.00 0.00 H new ATOM 0 HB3 LYS A 391 0.303 6.698 7.798 1.00 0.00 H new ATOM 0 HG2 LYS A 391 -0.487 7.896 5.118 1.00 0.00 H new ATOM 0 HG3 LYS A 391 -1.280 8.219 6.647 1.00 0.00 H new ATOM 0 HD2 LYS A 391 0.886 9.104 7.551 1.00 0.00 H new ATOM 0 HD3 LYS A 391 1.627 8.838 5.985 1.00 0.00 H new ATOM 0 HE2 LYS A 391 -0.749 10.662 6.534 1.00 0.00 H new ATOM 0 HE3 LYS A 391 0.901 11.190 6.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 391 0.511 11.196 4.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 391 0.202 9.527 4.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 391 -1.070 10.629 4.360 1.00 0.00 H new ATOM 143 N ILE A 392 1.269 3.684 6.173 1.00 0.00 N ATOM 144 CA ILE A 392 1.451 2.351 6.746 1.00 0.00 C ATOM 145 C ILE A 392 2.935 1.981 6.868 1.00 0.00 C ATOM 146 O ILE A 392 3.415 1.682 7.961 1.00 0.00 O ATOM 147 CB ILE A 392 0.707 1.268 5.912 1.00 0.00 C ATOM 148 CG1 ILE A 392 -0.821 1.375 6.072 1.00 0.00 C ATOM 149 CG2 ILE A 392 1.164 -0.127 6.311 1.00 0.00 C ATOM 150 CD1 ILE A 392 -1.445 2.628 5.504 1.00 0.00 C ATOM 0 H ILE A 392 0.681 3.702 5.340 1.00 0.00 H new ATOM 0 HA ILE A 392 1.021 2.381 7.747 1.00 0.00 H new ATOM 0 HB ILE A 392 0.955 1.444 4.865 1.00 0.00 H new ATOM 0 HG12 ILE A 392 -1.281 0.511 5.593 1.00 0.00 H new ATOM 0 HG13 ILE A 392 -1.063 1.318 7.133 1.00 0.00 H new ATOM 0 HG21 ILE A 392 0.631 -0.869 5.716 1.00 0.00 H new ATOM 0 HG22 ILE A 392 2.236 -0.223 6.136 1.00 0.00 H new ATOM 0 HG23 ILE A 392 0.953 -0.291 7.368 1.00 0.00 H new ATOM 0 HD11 ILE A 392 -2.522 2.605 5.668 1.00 0.00 H new ATOM 0 HD12 ILE A 392 -1.021 3.502 5.999 1.00 0.00 H new ATOM 0 HD13 ILE A 392 -1.242 2.683 4.434 1.00 0.00 H new ATOM 162 N THR A 393 3.646 2.022 5.741 1.00 0.00 N ATOM 163 CA THR A 393 5.084 1.719 5.673 1.00 0.00 C ATOM 164 C THR A 393 5.412 0.348 6.267 1.00 0.00 C ATOM 165 O THR A 393 6.490 0.145 6.822 1.00 0.00 O ATOM 166 CB THR A 393 5.953 2.800 6.369 1.00 0.00 C ATOM 167 OG1 THR A 393 5.737 2.809 7.790 1.00 0.00 O ATOM 168 CG2 THR A 393 5.648 4.177 5.809 1.00 0.00 C ATOM 0 H THR A 393 3.240 2.268 4.838 1.00 0.00 H new ATOM 0 HA THR A 393 5.328 1.711 4.611 1.00 0.00 H new ATOM 0 HB THR A 393 6.996 2.552 6.173 1.00 0.00 H new ATOM 0 HG1 THR A 393 5.105 2.099 8.029 1.00 0.00 H new ATOM 0 HG21 THR A 393 6.268 4.920 6.311 1.00 0.00 H new ATOM 0 HG22 THR A 393 5.860 4.190 4.740 1.00 0.00 H new ATOM 0 HG23 THR A 393 4.596 4.412 5.973 1.00 0.00 H new ATOM 176 N GLU A 394 4.485 -0.589 6.135 1.00 0.00 N ATOM 177 CA GLU A 394 4.663 -1.935 6.674 1.00 0.00 C ATOM 178 C GLU A 394 4.050 -2.961 5.734 1.00 0.00 C ATOM 179 O GLU A 394 2.910 -2.803 5.312 1.00 0.00 O ATOM 180 CB GLU A 394 4.006 -2.047 8.052 1.00 0.00 C ATOM 181 CG GLU A 394 4.754 -1.312 9.153 1.00 0.00 C ATOM 182 CD GLU A 394 6.062 -1.986 9.502 1.00 0.00 C ATOM 183 OE1 GLU A 394 6.032 -3.153 9.937 1.00 0.00 O ATOM 184 OE2 GLU A 394 7.129 -1.358 9.338 1.00 0.00 O ATOM 0 H GLU A 394 3.596 -0.443 5.657 1.00 0.00 H new ATOM 0 HA GLU A 394 5.731 -2.129 6.771 1.00 0.00 H new ATOM 0 HB2 GLU A 394 2.991 -1.655 7.992 1.00 0.00 H new ATOM 0 HB3 GLU A 394 3.926 -3.100 8.321 1.00 0.00 H new ATOM 0 HG2 GLU A 394 4.948 -0.287 8.837 1.00 0.00 H new ATOM 0 HG3 GLU A 394 4.126 -1.257 10.043 1.00 0.00 H new ATOM 191 N GLU A 395 4.821 -3.979 5.371 1.00 0.00 N ATOM 192 CA GLU A 395 4.369 -4.981 4.416 1.00 0.00 C ATOM 193 C GLU A 395 3.182 -5.792 4.950 1.00 0.00 C ATOM 194 O GLU A 395 2.142 -5.832 4.302 1.00 0.00 O ATOM 195 CB GLU A 395 5.524 -5.903 4.014 1.00 0.00 C ATOM 196 CG GLU A 395 5.168 -6.896 2.922 1.00 0.00 C ATOM 197 CD GLU A 395 6.372 -7.659 2.417 1.00 0.00 C ATOM 198 OE1 GLU A 395 7.470 -7.502 2.994 1.00 0.00 O ATOM 199 OE2 GLU A 395 6.232 -8.420 1.437 1.00 0.00 O ATOM 0 H GLU A 395 5.765 -4.132 5.725 1.00 0.00 H new ATOM 0 HA GLU A 395 4.021 -4.451 3.529 1.00 0.00 H new ATOM 0 HB2 GLU A 395 6.362 -5.293 3.677 1.00 0.00 H new ATOM 0 HB3 GLU A 395 5.861 -6.451 4.894 1.00 0.00 H new ATOM 0 HG2 GLU A 395 4.429 -7.601 3.303 1.00 0.00 H new ATOM 0 HG3 GLU A 395 4.703 -6.366 2.091 1.00 0.00 H new ATOM 206 N PRO A 396 3.290 -6.429 6.142 1.00 0.00 N ATOM 207 CA PRO A 396 2.185 -7.223 6.702 1.00 0.00 C ATOM 208 C PRO A 396 0.907 -6.402 6.861 1.00 0.00 C ATOM 209 O PRO A 396 -0.182 -6.847 6.489 1.00 0.00 O ATOM 210 CB PRO A 396 2.711 -7.671 8.070 1.00 0.00 C ATOM 211 CG PRO A 396 4.193 -7.601 7.947 1.00 0.00 C ATOM 212 CD PRO A 396 4.470 -6.444 7.031 1.00 0.00 C ATOM 0 HA PRO A 396 1.913 -8.053 6.050 1.00 0.00 H new ATOM 0 HB2 PRO A 396 2.349 -7.020 8.866 1.00 0.00 H new ATOM 0 HB3 PRO A 396 2.381 -8.682 8.309 1.00 0.00 H new ATOM 0 HG2 PRO A 396 4.660 -7.450 8.920 1.00 0.00 H new ATOM 0 HG3 PRO A 396 4.596 -8.528 7.540 1.00 0.00 H new ATOM 0 HD2 PRO A 396 4.571 -5.509 7.582 1.00 0.00 H new ATOM 0 HD3 PRO A 396 5.394 -6.586 6.471 1.00 0.00 H new ATOM 220 N LYS A 397 1.052 -5.186 7.375 1.00 0.00 N ATOM 221 CA LYS A 397 -0.083 -4.291 7.555 1.00 0.00 C ATOM 222 C LYS A 397 -0.681 -3.882 6.208 1.00 0.00 C ATOM 223 O LYS A 397 -1.892 -3.952 6.014 1.00 0.00 O ATOM 224 CB LYS A 397 0.339 -3.040 8.330 1.00 0.00 C ATOM 225 CG LYS A 397 0.785 -3.311 9.759 1.00 0.00 C ATOM 226 CD LYS A 397 1.250 -2.034 10.440 1.00 0.00 C ATOM 227 CE LYS A 397 1.809 -2.298 11.831 1.00 0.00 C ATOM 228 NZ LYS A 397 0.755 -2.697 12.801 1.00 0.00 N ATOM 0 H LYS A 397 1.946 -4.798 7.675 1.00 0.00 H new ATOM 0 HA LYS A 397 -0.842 -4.828 8.124 1.00 0.00 H new ATOM 0 HB2 LYS A 397 1.153 -2.552 7.794 1.00 0.00 H new ATOM 0 HB3 LYS A 397 -0.496 -2.339 8.349 1.00 0.00 H new ATOM 0 HG2 LYS A 397 -0.039 -3.748 10.323 1.00 0.00 H new ATOM 0 HG3 LYS A 397 1.594 -4.041 9.758 1.00 0.00 H new ATOM 0 HD2 LYS A 397 2.014 -1.555 9.828 1.00 0.00 H new ATOM 0 HD3 LYS A 397 0.415 -1.337 10.512 1.00 0.00 H new ATOM 0 HE2 LYS A 397 2.562 -3.084 11.773 1.00 0.00 H new ATOM 0 HE3 LYS A 397 2.311 -1.401 12.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 397 1.186 -2.865 13.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 397 0.049 -1.937 12.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 397 0.292 -3.568 12.472 1.00 0.00 H new ATOM 242 N CYS A 398 0.180 -3.448 5.293 1.00 0.00 N ATOM 243 CA CYS A 398 -0.252 -2.978 3.976 1.00 0.00 C ATOM 244 C CYS A 398 -0.846 -4.118 3.152 1.00 0.00 C ATOM 245 O CYS A 398 -1.671 -3.893 2.268 1.00 0.00 O ATOM 246 CB CYS A 398 0.931 -2.356 3.225 1.00 0.00 C ATOM 247 SG CYS A 398 0.477 -1.370 1.763 1.00 0.00 S ATOM 0 H CYS A 398 1.189 -3.411 5.439 1.00 0.00 H new ATOM 0 HA CYS A 398 -1.025 -2.223 4.124 1.00 0.00 H new ATOM 0 HB2 CYS A 398 1.487 -1.721 3.915 1.00 0.00 H new ATOM 0 HB3 CYS A 398 1.604 -3.154 2.912 1.00 0.00 H new ATOM 252 N SER A 399 -0.359 -5.328 3.404 1.00 0.00 N ATOM 253 CA SER A 399 -0.755 -6.505 2.647 1.00 0.00 C ATOM 254 C SER A 399 -2.274 -6.689 2.649 1.00 0.00 C ATOM 255 O SER A 399 -2.878 -6.896 1.598 1.00 0.00 O ATOM 256 CB SER A 399 -0.062 -7.741 3.225 1.00 0.00 C ATOM 257 OG SER A 399 -0.215 -8.862 2.371 1.00 0.00 O ATOM 0 H SER A 399 0.322 -5.518 4.140 1.00 0.00 H new ATOM 0 HA SER A 399 -0.447 -6.368 1.611 1.00 0.00 H new ATOM 0 HB2 SER A 399 0.998 -7.533 3.369 1.00 0.00 H new ATOM 0 HB3 SER A 399 -0.478 -7.969 4.206 1.00 0.00 H new ATOM 0 HG SER A 399 0.239 -9.637 2.764 1.00 0.00 H new ATOM 263 N GLU A 400 -2.896 -6.537 3.812 1.00 0.00 N ATOM 264 CA GLU A 400 -4.349 -6.626 3.907 1.00 0.00 C ATOM 265 C GLU A 400 -4.925 -5.268 4.307 1.00 0.00 C ATOM 266 O GLU A 400 -5.993 -5.173 4.914 1.00 0.00 O ATOM 267 CB GLU A 400 -4.760 -7.702 4.921 1.00 0.00 C ATOM 268 CG GLU A 400 -6.222 -8.113 4.813 1.00 0.00 C ATOM 269 CD GLU A 400 -6.678 -8.961 5.979 1.00 0.00 C ATOM 270 OE1 GLU A 400 -6.602 -8.486 7.132 1.00 0.00 O ATOM 271 OE2 GLU A 400 -7.129 -10.101 5.752 1.00 0.00 O ATOM 0 H GLU A 400 -2.422 -6.353 4.696 1.00 0.00 H new ATOM 0 HA GLU A 400 -4.748 -6.908 2.933 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -4.132 -8.582 4.779 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -4.568 -7.332 5.928 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -6.843 -7.219 4.755 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -6.372 -8.666 3.886 1.00 0.00 H new ATOM 278 N GLU A 401 -4.219 -4.214 3.941 1.00 0.00 N ATOM 279 CA GLU A 401 -4.651 -2.864 4.247 1.00 0.00 C ATOM 280 C GLU A 401 -5.789 -2.450 3.327 1.00 0.00 C ATOM 281 O GLU A 401 -5.893 -2.946 2.205 1.00 0.00 O ATOM 282 CB GLU A 401 -3.479 -1.897 4.122 1.00 0.00 C ATOM 283 CG GLU A 401 -3.803 -0.478 4.551 1.00 0.00 C ATOM 284 CD GLU A 401 -4.460 -0.424 5.914 1.00 0.00 C ATOM 285 OE1 GLU A 401 -3.796 -0.757 6.918 1.00 0.00 O ATOM 286 OE2 GLU A 401 -5.658 -0.083 5.978 1.00 0.00 O ATOM 0 H GLU A 401 -3.339 -4.269 3.428 1.00 0.00 H new ATOM 0 HA GLU A 401 -5.015 -2.836 5.274 1.00 0.00 H new ATOM 0 HB2 GLU A 401 -2.649 -2.268 4.724 1.00 0.00 H new ATOM 0 HB3 GLU A 401 -3.140 -1.884 3.086 1.00 0.00 H new ATOM 0 HG2 GLU A 401 -2.887 0.112 4.569 1.00 0.00 H new ATOM 0 HG3 GLU A 401 -4.463 -0.020 3.814 1.00 0.00 H new ATOM 293 N LYS A 402 -6.642 -1.560 3.822 1.00 0.00 N ATOM 294 CA LYS A 402 -7.790 -1.075 3.073 1.00 0.00 C ATOM 295 C LYS A 402 -7.373 -0.529 1.712 1.00 0.00 C ATOM 296 O LYS A 402 -6.848 0.582 1.612 1.00 0.00 O ATOM 297 CB LYS A 402 -8.509 0.013 3.872 1.00 0.00 C ATOM 298 CG LYS A 402 -9.081 -0.477 5.193 1.00 0.00 C ATOM 299 CD LYS A 402 -9.607 0.669 6.048 1.00 0.00 C ATOM 300 CE LYS A 402 -8.518 1.282 6.920 1.00 0.00 C ATOM 301 NZ LYS A 402 -7.412 1.884 6.127 1.00 0.00 N ATOM 0 H LYS A 402 -6.555 -1.156 4.754 1.00 0.00 H new ATOM 0 HA LYS A 402 -8.466 -1.914 2.908 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -7.812 0.828 4.068 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -9.317 0.423 3.266 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -9.888 -1.184 4.999 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -8.310 -1.016 5.744 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -10.029 1.439 5.402 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -10.416 0.306 6.682 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -8.959 2.047 7.559 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -8.111 0.514 7.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -6.880 2.550 6.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -6.775 1.133 5.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -7.807 2.391 5.309 1.00 0.00 H new ATOM 315 N ILE A 403 -7.613 -1.344 0.681 1.00 0.00 N ATOM 316 CA ILE A 403 -7.306 -1.028 -0.718 1.00 0.00 C ATOM 317 C ILE A 403 -5.884 -0.456 -0.906 1.00 0.00 C ATOM 318 O ILE A 403 -5.612 0.300 -1.843 1.00 0.00 O ATOM 319 CB ILE A 403 -8.398 -0.110 -1.347 1.00 0.00 C ATOM 320 CG1 ILE A 403 -8.337 -0.161 -2.877 1.00 0.00 C ATOM 321 CG2 ILE A 403 -8.283 1.328 -0.858 1.00 0.00 C ATOM 322 CD1 ILE A 403 -9.489 0.551 -3.551 1.00 0.00 C ATOM 0 H ILE A 403 -8.037 -2.264 0.798 1.00 0.00 H new ATOM 0 HA ILE A 403 -7.320 -1.972 -1.262 1.00 0.00 H new ATOM 0 HB ILE A 403 -9.366 -0.492 -1.022 1.00 0.00 H new ATOM 0 HG12 ILE A 403 -7.400 0.285 -3.210 1.00 0.00 H new ATOM 0 HG13 ILE A 403 -8.326 -1.203 -3.198 1.00 0.00 H new ATOM 0 HG21 ILE A 403 -9.063 1.933 -1.321 1.00 0.00 H new ATOM 0 HG22 ILE A 403 -8.399 1.354 0.226 1.00 0.00 H new ATOM 0 HG23 ILE A 403 -7.305 1.727 -1.128 1.00 0.00 H new ATOM 0 HD11 ILE A 403 -9.381 0.475 -4.633 1.00 0.00 H new ATOM 0 HD12 ILE A 403 -10.429 0.091 -3.247 1.00 0.00 H new ATOM 0 HD13 ILE A 403 -9.488 1.601 -3.260 1.00 0.00 H new ATOM 334 N CYS A 404 -4.938 -0.977 -0.127 1.00 0.00 N ATOM 335 CA CYS A 404 -3.528 -0.649 -0.314 1.00 0.00 C ATOM 336 C CYS A 404 -2.757 -1.894 -0.736 1.00 0.00 C ATOM 337 O CYS A 404 -3.270 -3.010 -0.627 1.00 0.00 O ATOM 338 CB CYS A 404 -2.929 -0.069 0.964 1.00 0.00 C ATOM 339 SG CYS A 404 -3.714 1.474 1.528 1.00 0.00 S ATOM 0 H CYS A 404 -5.123 -1.626 0.638 1.00 0.00 H new ATOM 0 HA CYS A 404 -3.451 0.104 -1.098 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -3.006 -0.813 1.757 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -1.867 0.116 0.802 1.00 0.00 H new ATOM 344 N SER A 405 -1.567 -1.704 -1.284 1.00 0.00 N ATOM 345 CA SER A 405 -0.774 -2.818 -1.778 1.00 0.00 C ATOM 346 C SER A 405 0.706 -2.578 -1.536 1.00 0.00 C ATOM 347 O SER A 405 1.174 -1.437 -1.611 1.00 0.00 O ATOM 348 CB SER A 405 -1.026 -3.014 -3.271 1.00 0.00 C ATOM 349 OG SER A 405 -0.849 -1.794 -3.980 1.00 0.00 O ATOM 0 H SER A 405 -1.130 -0.790 -1.398 1.00 0.00 H new ATOM 0 HA SER A 405 -1.072 -3.716 -1.238 1.00 0.00 H new ATOM 0 HB2 SER A 405 -0.345 -3.769 -3.663 1.00 0.00 H new ATOM 0 HB3 SER A 405 -2.038 -3.386 -3.427 1.00 0.00 H new ATOM 0 HG SER A 405 -0.586 -1.988 -4.904 1.00 0.00 H new ATOM 355 N TRP A 406 1.440 -3.647 -1.259 1.00 0.00 N ATOM 356 CA TRP A 406 2.871 -3.535 -1.058 1.00 0.00 C ATOM 357 C TRP A 406 3.608 -3.621 -2.391 1.00 0.00 C ATOM 358 O TRP A 406 3.593 -4.652 -3.065 1.00 0.00 O ATOM 359 CB TRP A 406 3.389 -4.615 -0.111 1.00 0.00 C ATOM 360 CG TRP A 406 4.769 -4.318 0.389 1.00 0.00 C ATOM 361 CD1 TRP A 406 5.925 -4.964 0.060 1.00 0.00 C ATOM 362 CD2 TRP A 406 5.135 -3.293 1.321 1.00 0.00 C ATOM 363 NE1 TRP A 406 6.986 -4.393 0.711 1.00 0.00 N ATOM 364 CE2 TRP A 406 6.527 -3.370 1.497 1.00 0.00 C ATOM 365 CE3 TRP A 406 4.420 -2.315 2.019 1.00 0.00 C ATOM 366 CZ2 TRP A 406 7.220 -2.508 2.342 1.00 0.00 C ATOM 367 CZ3 TRP A 406 5.110 -1.461 2.859 1.00 0.00 C ATOM 368 CH2 TRP A 406 6.496 -1.561 3.013 1.00 0.00 C ATOM 0 H TRP A 406 1.069 -4.593 -1.170 1.00 0.00 H new ATOM 0 HA TRP A 406 3.062 -2.562 -0.604 1.00 0.00 H new ATOM 0 HB2 TRP A 406 2.710 -4.708 0.737 1.00 0.00 H new ATOM 0 HB3 TRP A 406 3.390 -5.576 -0.625 1.00 0.00 H new ATOM 0 HD1 TRP A 406 5.993 -5.804 -0.616 1.00 0.00 H new ATOM 0 HE1 TRP A 406 7.960 -4.683 0.624 1.00 0.00 H new ATOM 0 HE3 TRP A 406 3.350 -2.228 1.904 1.00 0.00 H new ATOM 0 HZ2 TRP A 406 8.290 -2.584 2.463 1.00 0.00 H new ATOM 0 HZ3 TRP A 406 4.569 -0.703 3.406 1.00 0.00 H new ATOM 0 HH2 TRP A 406 7.005 -0.877 3.675 1.00 0.00 H new ATOM 379 N HIS A 407 4.260 -2.530 -2.737 1.00 0.00 N ATOM 380 CA HIS A 407 5.050 -2.410 -3.954 1.00 0.00 C ATOM 381 C HIS A 407 6.383 -3.131 -3.767 1.00 0.00 C ATOM 382 O HIS A 407 7.375 -2.506 -3.401 1.00 0.00 O ATOM 383 CB HIS A 407 5.276 -0.917 -4.219 1.00 0.00 C ATOM 384 CG HIS A 407 5.600 -0.539 -5.627 1.00 0.00 C ATOM 385 ND1 HIS A 407 6.797 -0.832 -6.231 1.00 0.00 N ATOM 386 CD2 HIS A 407 4.889 0.170 -6.536 1.00 0.00 C ATOM 387 CE1 HIS A 407 6.817 -0.317 -7.440 1.00 0.00 C ATOM 388 NE2 HIS A 407 5.672 0.292 -7.654 1.00 0.00 N ATOM 0 H HIS A 407 4.258 -1.682 -2.171 1.00 0.00 H new ATOM 0 HA HIS A 407 4.535 -2.862 -4.801 1.00 0.00 H new ATOM 0 HB2 HIS A 407 4.379 -0.376 -3.917 1.00 0.00 H new ATOM 0 HB3 HIS A 407 6.087 -0.574 -3.577 1.00 0.00 H new ATOM 0 HD1 HIS A 407 7.555 -1.367 -5.807 1.00 0.00 H new ATOM 0 HD2 HIS A 407 3.892 0.565 -6.404 1.00 0.00 H new ATOM 0 HE1 HIS A 407 7.637 -0.383 -8.140 1.00 0.00 H new ATOM 397 N LYS A 408 6.341 -4.462 -3.813 1.00 0.00 N ATOM 398 CA LYS A 408 7.501 -5.289 -3.471 1.00 0.00 C ATOM 399 C LYS A 408 8.729 -4.895 -4.292 1.00 0.00 C ATOM 400 O LYS A 408 9.805 -4.659 -3.739 1.00 0.00 O ATOM 401 CB LYS A 408 7.183 -6.771 -3.692 1.00 0.00 C ATOM 402 CG LYS A 408 5.928 -7.247 -2.973 1.00 0.00 C ATOM 403 CD LYS A 408 5.653 -8.727 -3.221 1.00 0.00 C ATOM 404 CE LYS A 408 6.315 -9.622 -2.177 1.00 0.00 C ATOM 405 NZ LYS A 408 7.800 -9.578 -2.241 1.00 0.00 N ATOM 0 H LYS A 408 5.514 -4.994 -4.085 1.00 0.00 H new ATOM 0 HA LYS A 408 7.727 -5.122 -2.418 1.00 0.00 H new ATOM 0 HB2 LYS A 408 7.068 -6.952 -4.761 1.00 0.00 H new ATOM 0 HB3 LYS A 408 8.031 -7.368 -3.356 1.00 0.00 H new ATOM 0 HG2 LYS A 408 6.036 -7.073 -1.902 1.00 0.00 H new ATOM 0 HG3 LYS A 408 5.074 -6.659 -3.307 1.00 0.00 H new ATOM 0 HD2 LYS A 408 4.577 -8.900 -3.215 1.00 0.00 H new ATOM 0 HD3 LYS A 408 6.014 -9.000 -4.212 1.00 0.00 H new ATOM 0 HE2 LYS A 408 5.989 -9.316 -1.183 1.00 0.00 H new ATOM 0 HE3 LYS A 408 5.980 -10.649 -2.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 8.191 -10.444 -1.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 8.103 -9.509 -3.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 8.146 -8.750 -1.715 1.00 0.00 H new ATOM 419 N GLU A 409 8.547 -4.776 -5.601 1.00 0.00 N ATOM 420 CA GLU A 409 9.620 -4.327 -6.480 1.00 0.00 C ATOM 421 C GLU A 409 9.945 -2.868 -6.194 1.00 0.00 C ATOM 422 O GLU A 409 9.045 -2.046 -6.079 1.00 0.00 O ATOM 423 CB GLU A 409 9.211 -4.495 -7.945 1.00 0.00 C ATOM 424 CG GLU A 409 10.216 -3.936 -8.941 1.00 0.00 C ATOM 425 CD GLU A 409 9.682 -3.934 -10.358 1.00 0.00 C ATOM 426 OE1 GLU A 409 8.540 -4.400 -10.568 1.00 0.00 O ATOM 427 OE2 GLU A 409 10.396 -3.470 -11.272 1.00 0.00 O ATOM 0 H GLU A 409 7.669 -4.983 -6.077 1.00 0.00 H new ATOM 0 HA GLU A 409 10.506 -4.934 -6.293 1.00 0.00 H new ATOM 0 HB2 GLU A 409 9.064 -5.555 -8.150 1.00 0.00 H new ATOM 0 HB3 GLU A 409 8.250 -4.004 -8.101 1.00 0.00 H new ATOM 0 HG2 GLU A 409 10.481 -2.918 -8.654 1.00 0.00 H new ATOM 0 HG3 GLU A 409 11.131 -4.527 -8.901 1.00 0.00 H new ATOM 434 N VAL A 410 11.221 -2.561 -6.028 1.00 0.00 N ATOM 435 CA VAL A 410 11.639 -1.207 -5.685 1.00 0.00 C ATOM 436 C VAL A 410 13.002 -0.878 -6.278 1.00 0.00 C ATOM 437 O VAL A 410 13.870 -1.748 -6.396 1.00 0.00 O ATOM 438 CB VAL A 410 11.688 -0.984 -4.156 1.00 0.00 C ATOM 439 CG1 VAL A 410 10.289 -0.884 -3.572 1.00 0.00 C ATOM 440 CG2 VAL A 410 12.474 -2.089 -3.466 1.00 0.00 C ATOM 0 H VAL A 410 11.986 -3.228 -6.125 1.00 0.00 H new ATOM 0 HA VAL A 410 10.889 -0.541 -6.112 1.00 0.00 H new ATOM 0 HB VAL A 410 12.200 -0.038 -3.978 1.00 0.00 H new ATOM 0 HG11 VAL A 410 10.355 -0.727 -2.495 1.00 0.00 H new ATOM 0 HG12 VAL A 410 9.763 -0.046 -4.029 1.00 0.00 H new ATOM 0 HG13 VAL A 410 9.744 -1.807 -3.772 1.00 0.00 H new ATOM 0 HG21 VAL A 410 12.492 -1.906 -2.392 1.00 0.00 H new ATOM 0 HG22 VAL A 410 11.999 -3.050 -3.663 1.00 0.00 H new ATOM 0 HG23 VAL A 410 13.494 -2.103 -3.849 1.00 0.00 H new ATOM 450 N LYS A 411 13.168 0.376 -6.674 1.00 0.00 N ATOM 451 CA LYS A 411 14.400 0.843 -7.265 1.00 0.00 C ATOM 452 C LYS A 411 14.689 2.256 -6.770 1.00 0.00 C ATOM 453 O LYS A 411 15.159 3.120 -7.515 1.00 0.00 O ATOM 454 CB LYS A 411 14.275 0.802 -8.785 1.00 0.00 C ATOM 455 CG LYS A 411 15.596 0.919 -9.531 1.00 0.00 C ATOM 456 CD LYS A 411 15.392 0.846 -11.035 1.00 0.00 C ATOM 457 CE LYS A 411 16.715 0.838 -11.783 1.00 0.00 C ATOM 458 NZ LYS A 411 17.504 2.078 -11.556 1.00 0.00 N ATOM 0 H LYS A 411 12.448 1.094 -6.592 1.00 0.00 H new ATOM 0 HA LYS A 411 15.231 0.201 -6.973 1.00 0.00 H new ATOM 0 HB2 LYS A 411 13.792 -0.132 -9.072 1.00 0.00 H new ATOM 0 HB3 LYS A 411 13.619 1.612 -9.105 1.00 0.00 H new ATOM 0 HG2 LYS A 411 16.079 1.862 -9.273 1.00 0.00 H new ATOM 0 HG3 LYS A 411 16.267 0.120 -9.214 1.00 0.00 H new ATOM 0 HD2 LYS A 411 14.829 -0.054 -11.282 1.00 0.00 H new ATOM 0 HD3 LYS A 411 14.794 1.696 -11.363 1.00 0.00 H new ATOM 0 HE2 LYS A 411 17.302 -0.025 -11.468 1.00 0.00 H new ATOM 0 HE3 LYS A 411 16.525 0.722 -12.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 411 18.347 2.069 -12.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 411 16.920 2.908 -11.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 411 17.797 2.125 -10.559 1.00 0.00 H new ATOM 472 N ALA A 412 14.515 2.417 -5.467 1.00 0.00 N ATOM 473 CA ALA A 412 14.835 3.655 -4.759 1.00 0.00 C ATOM 474 C ALA A 412 14.218 4.893 -5.414 1.00 0.00 C ATOM 475 O ALA A 412 14.927 5.742 -5.969 1.00 0.00 O ATOM 476 CB ALA A 412 16.339 3.790 -4.628 1.00 0.00 C ATOM 0 H ALA A 412 14.143 1.685 -4.861 1.00 0.00 H new ATOM 0 HA ALA A 412 14.390 3.594 -3.766 1.00 0.00 H new ATOM 0 HB1 ALA A 412 16.577 4.713 -4.100 1.00 0.00 H new ATOM 0 HB2 ALA A 412 16.733 2.941 -4.070 1.00 0.00 H new ATOM 0 HB3 ALA A 412 16.790 3.813 -5.620 1.00 0.00 H new ATOM 482 N GLY A 413 12.900 5.002 -5.331 1.00 0.00 N ATOM 483 CA GLY A 413 12.206 6.149 -5.893 1.00 0.00 C ATOM 484 C GLY A 413 10.709 6.053 -5.710 1.00 0.00 C ATOM 485 O GLY A 413 10.029 7.052 -5.477 1.00 0.00 O ATOM 0 H GLY A 413 12.294 4.315 -4.883 1.00 0.00 H new ATOM 0 HA2 GLY A 413 12.571 7.061 -5.420 1.00 0.00 H new ATOM 0 HA3 GLY A 413 12.437 6.227 -6.955 1.00 0.00 H new ATOM 489 N GLU A 414 10.209 4.835 -5.811 1.00 0.00 N ATOM 490 CA GLU A 414 8.789 4.545 -5.654 1.00 0.00 C ATOM 491 C GLU A 414 8.332 4.709 -4.203 1.00 0.00 C ATOM 492 O GLU A 414 9.091 5.152 -3.338 1.00 0.00 O ATOM 493 CB GLU A 414 8.503 3.100 -6.101 1.00 0.00 C ATOM 494 CG GLU A 414 9.130 2.036 -5.204 1.00 0.00 C ATOM 495 CD GLU A 414 10.635 2.169 -5.104 1.00 0.00 C ATOM 496 OE1 GLU A 414 11.301 2.159 -6.156 1.00 0.00 O ATOM 497 OE2 GLU A 414 11.153 2.326 -3.979 1.00 0.00 O ATOM 0 H GLU A 414 10.778 4.011 -6.006 1.00 0.00 H new ATOM 0 HA GLU A 414 8.239 5.255 -6.272 1.00 0.00 H new ATOM 0 HB2 GLU A 414 7.424 2.946 -6.130 1.00 0.00 H new ATOM 0 HB3 GLU A 414 8.871 2.966 -7.118 1.00 0.00 H new ATOM 0 HG2 GLU A 414 8.696 2.106 -4.207 1.00 0.00 H new ATOM 0 HG3 GLU A 414 8.882 1.048 -5.591 1.00 0.00 H new ATOM 504 N LYS A 415 7.180 4.130 -3.920 1.00 0.00 N ATOM 505 CA LYS A 415 6.691 3.975 -2.562 1.00 0.00 C ATOM 506 C LYS A 415 6.162 2.566 -2.410 1.00 0.00 C ATOM 507 O LYS A 415 5.534 2.045 -3.330 1.00 0.00 O ATOM 508 CB LYS A 415 5.586 4.984 -2.244 1.00 0.00 C ATOM 509 CG LYS A 415 6.107 6.342 -1.814 1.00 0.00 C ATOM 510 CD LYS A 415 6.922 6.239 -0.537 1.00 0.00 C ATOM 511 CE LYS A 415 7.398 7.604 -0.072 1.00 0.00 C ATOM 512 NZ LYS A 415 8.246 7.518 1.145 1.00 0.00 N ATOM 0 H LYS A 415 6.553 3.752 -4.630 1.00 0.00 H new ATOM 0 HA LYS A 415 7.508 4.159 -1.865 1.00 0.00 H new ATOM 0 HB2 LYS A 415 4.955 5.109 -3.124 1.00 0.00 H new ATOM 0 HB3 LYS A 415 4.954 4.580 -1.453 1.00 0.00 H new ATOM 0 HG2 LYS A 415 6.722 6.766 -2.608 1.00 0.00 H new ATOM 0 HG3 LYS A 415 5.270 7.023 -1.660 1.00 0.00 H new ATOM 0 HD2 LYS A 415 6.319 5.776 0.245 1.00 0.00 H new ATOM 0 HD3 LYS A 415 7.781 5.590 -0.703 1.00 0.00 H new ATOM 0 HE2 LYS A 415 7.962 8.082 -0.873 1.00 0.00 H new ATOM 0 HE3 LYS A 415 6.535 8.238 0.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 415 8.548 8.473 1.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 415 7.701 7.086 1.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 415 9.084 6.935 0.944 1.00 0.00 H new ATOM 526 N ASN A 416 6.553 1.893 -1.342 1.00 0.00 N ATOM 527 CA ASN A 416 6.196 0.493 -1.182 1.00 0.00 C ATOM 528 C ASN A 416 4.707 0.337 -0.886 1.00 0.00 C ATOM 529 O ASN A 416 3.961 -0.180 -1.709 1.00 0.00 O ATOM 530 CB ASN A 416 7.042 -0.174 -0.092 1.00 0.00 C ATOM 531 CG ASN A 416 8.472 -0.421 -0.529 1.00 0.00 C ATOM 532 OD1 ASN A 416 9.263 0.513 -0.666 1.00 0.00 O ATOM 533 ND2 ASN A 416 8.813 -1.680 -0.764 1.00 0.00 N ATOM 0 H ASN A 416 7.110 2.285 -0.583 1.00 0.00 H new ATOM 0 HA ASN A 416 6.407 -0.012 -2.125 1.00 0.00 H new ATOM 0 HB2 ASN A 416 7.042 0.456 0.798 1.00 0.00 H new ATOM 0 HB3 ASN A 416 6.583 -1.122 0.188 1.00 0.00 H new ATOM 0 HD21 ASN A 416 9.760 -1.903 -1.070 1.00 0.00 H new ATOM 0 HD22 ASN A 416 8.128 -2.426 -0.639 1.00 0.00 H new ATOM 540 N CYS A 417 4.235 0.885 0.213 1.00 0.00 N ATOM 541 CA CYS A 417 2.807 0.845 0.473 1.00 0.00 C ATOM 542 C CYS A 417 2.125 1.995 -0.252 1.00 0.00 C ATOM 543 O CYS A 417 2.339 3.163 0.070 1.00 0.00 O ATOM 544 CB CYS A 417 2.507 0.897 1.970 1.00 0.00 C ATOM 545 SG CYS A 417 0.763 0.542 2.381 1.00 0.00 S ATOM 0 H CYS A 417 4.798 1.352 0.924 1.00 0.00 H new ATOM 0 HA CYS A 417 2.415 -0.101 0.098 1.00 0.00 H new ATOM 0 HB2 CYS A 417 3.146 0.179 2.485 1.00 0.00 H new ATOM 0 HB3 CYS A 417 2.767 1.885 2.350 1.00 0.00 H new ATOM 550 N GLN A 418 1.358 1.663 -1.281 1.00 0.00 N ATOM 551 CA GLN A 418 0.708 2.672 -2.100 1.00 0.00 C ATOM 552 C GLN A 418 -0.627 2.178 -2.630 1.00 0.00 C ATOM 553 O GLN A 418 -0.951 0.989 -2.521 1.00 0.00 O ATOM 554 CB GLN A 418 1.617 3.118 -3.257 1.00 0.00 C ATOM 555 CG GLN A 418 2.442 2.009 -3.898 1.00 0.00 C ATOM 556 CD GLN A 418 1.614 0.960 -4.610 1.00 0.00 C ATOM 557 OE1 GLN A 418 0.863 1.260 -5.536 1.00 0.00 O ATOM 558 NE2 GLN A 418 1.754 -0.281 -4.179 1.00 0.00 N ATOM 0 H GLN A 418 1.172 0.702 -1.567 1.00 0.00 H new ATOM 0 HA GLN A 418 0.519 3.536 -1.463 1.00 0.00 H new ATOM 0 HB2 GLN A 418 0.999 3.580 -4.027 1.00 0.00 H new ATOM 0 HB3 GLN A 418 2.296 3.887 -2.889 1.00 0.00 H new ATOM 0 HG2 GLN A 418 3.138 2.453 -4.610 1.00 0.00 H new ATOM 0 HG3 GLN A 418 3.041 1.523 -3.127 1.00 0.00 H new ATOM 0 HE21 GLN A 418 2.389 -0.484 -3.407 1.00 0.00 H new ATOM 0 HE22 GLN A 418 1.227 -1.036 -4.618 1.00 0.00 H new ATOM 567 N PHE A 419 -1.423 3.114 -3.126 1.00 0.00 N ATOM 568 CA PHE A 419 -2.748 2.814 -3.642 1.00 0.00 C ATOM 569 C PHE A 419 -2.643 1.940 -4.884 1.00 0.00 C ATOM 570 O PHE A 419 -1.975 2.307 -5.849 1.00 0.00 O ATOM 571 CB PHE A 419 -3.473 4.114 -3.985 1.00 0.00 C ATOM 572 CG PHE A 419 -4.939 3.935 -4.222 1.00 0.00 C ATOM 573 CD1 PHE A 419 -5.750 3.450 -3.215 1.00 0.00 C ATOM 574 CD2 PHE A 419 -5.502 4.242 -5.448 1.00 0.00 C ATOM 575 CE1 PHE A 419 -7.103 3.269 -3.428 1.00 0.00 C ATOM 576 CE2 PHE A 419 -6.854 4.066 -5.667 1.00 0.00 C ATOM 577 CZ PHE A 419 -7.657 3.581 -4.653 1.00 0.00 C ATOM 0 H PHE A 419 -1.168 4.100 -3.181 1.00 0.00 H new ATOM 0 HA PHE A 419 -3.311 2.276 -2.879 1.00 0.00 H new ATOM 0 HB2 PHE A 419 -3.329 4.826 -3.173 1.00 0.00 H new ATOM 0 HB3 PHE A 419 -3.020 4.550 -4.875 1.00 0.00 H new ATOM 0 HD1 PHE A 419 -5.323 3.210 -2.253 1.00 0.00 H new ATOM 0 HD2 PHE A 419 -4.877 4.623 -6.242 1.00 0.00 H new ATOM 0 HE1 PHE A 419 -7.727 2.883 -2.636 1.00 0.00 H new ATOM 0 HE2 PHE A 419 -7.283 4.307 -6.629 1.00 0.00 H new ATOM 0 HZ PHE A 419 -8.716 3.446 -4.818 1.00 0.00 H new ATOM 587 N ASN A 420 -3.275 0.777 -4.847 1.00 0.00 N ATOM 588 CA ASN A 420 -3.201 -0.157 -5.964 1.00 0.00 C ATOM 589 C ASN A 420 -4.162 0.224 -7.081 1.00 0.00 C ATOM 590 O ASN A 420 -3.861 0.008 -8.255 1.00 0.00 O ATOM 591 CB ASN A 420 -3.452 -1.604 -5.511 1.00 0.00 C ATOM 592 CG ASN A 420 -4.732 -1.799 -4.717 1.00 0.00 C ATOM 593 OD1 ASN A 420 -5.831 -1.506 -5.186 1.00 0.00 O ATOM 594 ND2 ASN A 420 -4.599 -2.323 -3.512 1.00 0.00 N ATOM 0 H ASN A 420 -3.842 0.457 -4.062 1.00 0.00 H new ATOM 0 HA ASN A 420 -2.186 -0.096 -6.357 1.00 0.00 H new ATOM 0 HB2 ASN A 420 -3.483 -2.247 -6.390 1.00 0.00 H new ATOM 0 HB3 ASN A 420 -2.609 -1.934 -4.904 1.00 0.00 H new ATOM 0 HD21 ASN A 420 -5.424 -2.497 -2.938 1.00 0.00 H new ATOM 0 HD22 ASN A 420 -3.671 -2.554 -3.156 1.00 0.00 H new ATOM 601 N SER A 421 -5.340 0.711 -6.697 1.00 0.00 N ATOM 602 CA SER A 421 -6.410 1.029 -7.639 1.00 0.00 C ATOM 603 C SER A 421 -6.988 -0.251 -8.244 1.00 0.00 C ATOM 604 O SER A 421 -6.293 -0.991 -8.946 1.00 0.00 O ATOM 605 CB SER A 421 -5.908 1.974 -8.743 1.00 0.00 C ATOM 606 OG SER A 421 -6.961 2.370 -9.608 1.00 0.00 O ATOM 0 H SER A 421 -5.579 0.896 -5.723 1.00 0.00 H new ATOM 0 HA SER A 421 -7.203 1.541 -7.094 1.00 0.00 H new ATOM 0 HB2 SER A 421 -5.457 2.857 -8.290 1.00 0.00 H new ATOM 0 HB3 SER A 421 -5.128 1.478 -9.321 1.00 0.00 H new ATOM 0 HG SER A 421 -6.609 2.971 -10.297 1.00 0.00 H new ATOM 612 N THR A 422 -8.267 -0.495 -7.946 1.00 0.00 N ATOM 613 CA THR A 422 -9.015 -1.662 -8.426 1.00 0.00 C ATOM 614 C THR A 422 -8.189 -2.956 -8.346 1.00 0.00 C ATOM 615 O THR A 422 -8.052 -3.703 -9.319 1.00 0.00 O ATOM 616 CB THR A 422 -9.606 -1.427 -9.851 1.00 0.00 C ATOM 617 OG1 THR A 422 -10.519 -2.476 -10.204 1.00 0.00 O ATOM 618 CG2 THR A 422 -8.534 -1.309 -10.929 1.00 0.00 C ATOM 0 H THR A 422 -8.822 0.123 -7.354 1.00 0.00 H new ATOM 0 HA THR A 422 -9.860 -1.794 -7.751 1.00 0.00 H new ATOM 0 HB THR A 422 -10.134 -0.474 -9.804 1.00 0.00 H new ATOM 0 HG1 THR A 422 -10.059 -3.340 -10.154 1.00 0.00 H new ATOM 0 HG21 THR A 422 -9.008 -1.147 -11.897 1.00 0.00 H new ATOM 0 HG22 THR A 422 -7.879 -0.469 -10.700 1.00 0.00 H new ATOM 0 HG23 THR A 422 -7.948 -2.228 -10.961 1.00 0.00 H new ATOM 626 N LYS A 423 -7.634 -3.211 -7.168 1.00 0.00 N ATOM 627 CA LYS A 423 -6.815 -4.394 -6.943 1.00 0.00 C ATOM 628 C LYS A 423 -6.895 -4.808 -5.473 1.00 0.00 C ATOM 629 O LYS A 423 -5.971 -5.411 -4.920 1.00 0.00 O ATOM 630 CB LYS A 423 -5.363 -4.098 -7.344 1.00 0.00 C ATOM 631 CG LYS A 423 -4.458 -5.322 -7.415 1.00 0.00 C ATOM 632 CD LYS A 423 -4.967 -6.360 -8.405 1.00 0.00 C ATOM 633 CE LYS A 423 -4.916 -5.853 -9.836 1.00 0.00 C ATOM 634 NZ LYS A 423 -5.359 -6.891 -10.804 1.00 0.00 N ATOM 0 H LYS A 423 -7.737 -2.611 -6.350 1.00 0.00 H new ATOM 0 HA LYS A 423 -7.186 -5.217 -7.554 1.00 0.00 H new ATOM 0 HB2 LYS A 423 -5.362 -3.606 -8.317 1.00 0.00 H new ATOM 0 HB3 LYS A 423 -4.940 -3.392 -6.629 1.00 0.00 H new ATOM 0 HG2 LYS A 423 -3.453 -5.012 -7.702 1.00 0.00 H new ATOM 0 HG3 LYS A 423 -4.382 -5.773 -6.426 1.00 0.00 H new ATOM 0 HD2 LYS A 423 -4.368 -7.267 -8.320 1.00 0.00 H new ATOM 0 HD3 LYS A 423 -5.992 -6.630 -8.152 1.00 0.00 H new ATOM 0 HE2 LYS A 423 -5.550 -4.971 -9.932 1.00 0.00 H new ATOM 0 HE3 LYS A 423 -3.899 -5.542 -10.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 -5.311 -6.508 -11.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 -4.739 -7.722 -10.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 -6.338 -7.169 -10.591 1.00 0.00 H new ATOM 648 N ALA A 424 -8.027 -4.502 -4.852 1.00 0.00 N ATOM 649 CA ALA A 424 -8.248 -4.838 -3.452 1.00 0.00 C ATOM 650 C ALA A 424 -9.711 -4.647 -3.068 1.00 0.00 C ATOM 651 O ALA A 424 -10.388 -3.758 -3.590 1.00 0.00 O ATOM 652 CB ALA A 424 -7.359 -3.992 -2.554 1.00 0.00 C ATOM 0 H ALA A 424 -8.808 -4.020 -5.297 1.00 0.00 H new ATOM 0 HA ALA A 424 -7.991 -5.888 -3.315 1.00 0.00 H new ATOM 0 HB1 ALA A 424 -7.538 -4.257 -1.512 1.00 0.00 H new ATOM 0 HB2 ALA A 424 -6.313 -4.175 -2.801 1.00 0.00 H new ATOM 0 HB3 ALA A 424 -7.588 -2.937 -2.705 1.00 0.00 H new