USER MOD reduce.3.24.130724 H: found=0, std=0, add=304, rem=0, adj=12 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 89:sc= 1.03 USER MOD Set 1.2: A 423 LYS NZ :NH3+ 163:sc= 1.26 (180deg=0) USER MOD Set 2.1: A 421 SER OG : rot 180:sc= 0.134 USER MOD Set 2.2: A 422 THR OG1 : rot 180:sc= 0.0317 USER MOD Single : A 384 SER OG : rot 27:sc= 0.167 USER MOD Single : A 390 ASN :FLIP amide:sc= -0.104 F(o=-1.2!,f=-0.1) USER MOD Single : A 391 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 393 THR OG1 : rot 4:sc= 0.948 USER MOD Single : A 397 LYS NZ :NH3+ -167:sc= -0.0148 (180deg=-0.217) USER MOD Single : A 399 SER OG : rot 180:sc= 0 USER MOD Single : A 402 LYS NZ :NH3+ 168:sc=-0.00985 (180deg=-0.185) USER MOD Single : A 407 HIS : no HE2:sc= 0.858 K(o=0.86,f=-4.7!) USER MOD Single : A 408 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 411 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 415 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00658) USER MOD Single : A 416 ASN : amide:sc= -0.586 K(o=-0.59,f=-2.4!) USER MOD Single : A 418 GLN : amide:sc= 0.0605 X(o=0.061,f=-0.13) USER MOD Single : A 420 ASN : amide:sc= -4.03! C(o=-4!,f=-7.8!) USER MOD ----------------------------------------------------------------- ATOM 32 N SER A 384 -6.231 11.368 0.290 1.00 0.00 N ATOM 33 CA SER A 384 -6.142 10.453 -0.838 1.00 0.00 C ATOM 34 C SER A 384 -5.657 9.080 -0.380 1.00 0.00 C ATOM 35 O SER A 384 -4.685 8.978 0.370 1.00 0.00 O ATOM 36 CB SER A 384 -5.186 11.019 -1.886 1.00 0.00 C ATOM 37 OG SER A 384 -5.522 12.356 -2.213 1.00 0.00 O ATOM 0 HA SER A 384 -7.134 10.341 -1.275 1.00 0.00 H new ATOM 0 HB2 SER A 384 -4.164 10.979 -1.510 1.00 0.00 H new ATOM 0 HB3 SER A 384 -5.219 10.402 -2.784 1.00 0.00 H new ATOM 0 HG SER A 384 -5.976 12.775 -1.452 1.00 0.00 H new ATOM 43 N PRO A 385 -6.358 8.011 -0.793 1.00 0.00 N ATOM 44 CA PRO A 385 -6.029 6.636 -0.400 1.00 0.00 C ATOM 45 C PRO A 385 -4.572 6.273 -0.680 1.00 0.00 C ATOM 46 O PRO A 385 -3.948 5.554 0.100 1.00 0.00 O ATOM 47 CB PRO A 385 -6.967 5.784 -1.252 1.00 0.00 C ATOM 48 CG PRO A 385 -8.116 6.675 -1.570 1.00 0.00 C ATOM 49 CD PRO A 385 -7.558 8.069 -1.646 1.00 0.00 C ATOM 0 HA PRO A 385 -6.152 6.486 0.673 1.00 0.00 H new ATOM 0 HB2 PRO A 385 -6.472 5.440 -2.160 1.00 0.00 H new ATOM 0 HB3 PRO A 385 -7.294 4.896 -0.711 1.00 0.00 H new ATOM 0 HG2 PRO A 385 -8.580 6.390 -2.514 1.00 0.00 H new ATOM 0 HG3 PRO A 385 -8.887 6.606 -0.802 1.00 0.00 H new ATOM 0 HD2 PRO A 385 -7.308 8.345 -2.670 1.00 0.00 H new ATOM 0 HD3 PRO A 385 -8.273 8.807 -1.282 1.00 0.00 H new ATOM 57 N GLU A 386 -4.019 6.808 -1.766 1.00 0.00 N ATOM 58 CA GLU A 386 -2.616 6.581 -2.095 1.00 0.00 C ATOM 59 C GLU A 386 -1.721 7.078 -0.966 1.00 0.00 C ATOM 60 O GLU A 386 -0.891 6.332 -0.442 1.00 0.00 O ATOM 61 CB GLU A 386 -2.241 7.294 -3.393 1.00 0.00 C ATOM 62 CG GLU A 386 -0.788 7.100 -3.794 1.00 0.00 C ATOM 63 CD GLU A 386 -0.350 8.070 -4.867 1.00 0.00 C ATOM 64 OE1 GLU A 386 -0.522 9.291 -4.668 1.00 0.00 O ATOM 65 OE2 GLU A 386 0.184 7.627 -5.903 1.00 0.00 O ATOM 0 H GLU A 386 -4.519 7.399 -2.430 1.00 0.00 H new ATOM 0 HA GLU A 386 -2.470 5.509 -2.227 1.00 0.00 H new ATOM 0 HB2 GLU A 386 -2.883 6.931 -4.196 1.00 0.00 H new ATOM 0 HB3 GLU A 386 -2.440 8.360 -3.283 1.00 0.00 H new ATOM 0 HG2 GLU A 386 -0.153 7.222 -2.917 1.00 0.00 H new ATOM 0 HG3 GLU A 386 -0.646 6.080 -4.151 1.00 0.00 H new ATOM 72 N ALA A 387 -1.956 8.318 -0.548 1.00 0.00 N ATOM 73 CA ALA A 387 -1.220 8.911 0.557 1.00 0.00 C ATOM 74 C ALA A 387 -1.478 8.143 1.847 1.00 0.00 C ATOM 75 O ALA A 387 -0.571 7.953 2.660 1.00 0.00 O ATOM 76 CB ALA A 387 -1.593 10.378 0.717 1.00 0.00 C ATOM 0 H ALA A 387 -2.656 8.933 -0.963 1.00 0.00 H new ATOM 0 HA ALA A 387 -0.155 8.851 0.335 1.00 0.00 H new ATOM 0 HB1 ALA A 387 -1.034 10.807 1.548 1.00 0.00 H new ATOM 0 HB2 ALA A 387 -1.352 10.917 -0.199 1.00 0.00 H new ATOM 0 HB3 ALA A 387 -2.661 10.462 0.917 1.00 0.00 H new ATOM 82 N GLU A 388 -2.713 7.679 2.011 1.00 0.00 N ATOM 83 CA GLU A 388 -3.087 6.894 3.179 1.00 0.00 C ATOM 84 C GLU A 388 -2.222 5.645 3.289 1.00 0.00 C ATOM 85 O GLU A 388 -1.619 5.401 4.327 1.00 0.00 O ATOM 86 CB GLU A 388 -4.565 6.504 3.118 1.00 0.00 C ATOM 87 CG GLU A 388 -5.515 7.682 3.242 1.00 0.00 C ATOM 88 CD GLU A 388 -5.327 8.442 4.536 1.00 0.00 C ATOM 89 OE1 GLU A 388 -5.440 7.827 5.618 1.00 0.00 O ATOM 90 OE2 GLU A 388 -5.076 9.665 4.484 1.00 0.00 O ATOM 0 H GLU A 388 -3.472 7.834 1.348 1.00 0.00 H new ATOM 0 HA GLU A 388 -2.924 7.510 4.064 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -4.757 5.992 2.175 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -4.777 5.793 3.916 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -5.362 8.359 2.401 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -6.543 7.324 3.180 1.00 0.00 H new ATOM 97 N CYS A 389 -2.122 4.886 2.201 1.00 0.00 N ATOM 98 CA CYS A 389 -1.301 3.684 2.177 1.00 0.00 C ATOM 99 C CYS A 389 0.180 4.013 2.387 1.00 0.00 C ATOM 100 O CYS A 389 0.893 3.282 3.065 1.00 0.00 O ATOM 101 CB CYS A 389 -1.483 2.961 0.845 1.00 0.00 C ATOM 102 SG CYS A 389 -3.208 2.510 0.465 1.00 0.00 S ATOM 0 H CYS A 389 -2.602 5.085 1.323 1.00 0.00 H new ATOM 0 HA CYS A 389 -1.624 3.039 2.995 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -1.101 3.596 0.045 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -0.876 2.056 0.851 1.00 0.00 H new ATOM 107 N ASN A 390 0.640 5.099 1.778 1.00 0.00 N ATOM 108 CA ASN A 390 2.056 5.486 1.824 1.00 0.00 C ATOM 109 C ASN A 390 2.634 5.492 3.246 1.00 0.00 C ATOM 110 O ASN A 390 3.814 5.209 3.432 1.00 0.00 O ATOM 111 CB ASN A 390 2.253 6.865 1.188 1.00 0.00 C ATOM 112 CG ASN A 390 2.259 6.840 -0.335 1.00 0.00 C ATOM 113 OD1 ASN A 390 2.394 5.661 -0.927 1.00 0.00 O flip ATOM 114 ND2 ASN A 390 2.167 7.885 -0.981 1.00 0.00 N flip ATOM 0 H ASN A 390 0.052 5.736 1.241 1.00 0.00 H new ATOM 0 HA ASN A 390 2.598 4.729 1.257 1.00 0.00 H new ATOM 0 HB2 ASN A 390 1.459 7.530 1.529 1.00 0.00 H new ATOM 0 HB3 ASN A 390 3.195 7.287 1.540 1.00 0.00 H new ATOM 0 HD21 ASN A 390 2.064 8.777 -0.497 1.00 0.00 H new ATOM 0 HD22 ASN A 390 2.194 7.858 -2.000 1.00 0.00 H new ATOM 121 N LYS A 391 1.835 5.902 4.227 1.00 0.00 N ATOM 122 CA LYS A 391 2.329 6.070 5.596 1.00 0.00 C ATOM 123 C LYS A 391 2.634 4.733 6.288 1.00 0.00 C ATOM 124 O LYS A 391 3.426 4.697 7.229 1.00 0.00 O ATOM 125 CB LYS A 391 1.327 6.875 6.432 1.00 0.00 C ATOM 126 CG LYS A 391 0.053 6.113 6.775 1.00 0.00 C ATOM 127 CD LYS A 391 -0.987 7.004 7.432 1.00 0.00 C ATOM 128 CE LYS A 391 -0.479 7.625 8.723 1.00 0.00 C ATOM 129 NZ LYS A 391 -1.506 8.490 9.360 1.00 0.00 N ATOM 0 H LYS A 391 0.847 6.124 4.104 1.00 0.00 H new ATOM 0 HA LYS A 391 3.269 6.616 5.523 1.00 0.00 H new ATOM 0 HB2 LYS A 391 1.811 7.189 7.357 1.00 0.00 H new ATOM 0 HB3 LYS A 391 1.061 7.781 5.888 1.00 0.00 H new ATOM 0 HG2 LYS A 391 -0.364 5.678 5.867 1.00 0.00 H new ATOM 0 HG3 LYS A 391 0.295 5.286 7.442 1.00 0.00 H new ATOM 0 HD2 LYS A 391 -1.275 7.795 6.739 1.00 0.00 H new ATOM 0 HD3 LYS A 391 -1.884 6.420 7.640 1.00 0.00 H new ATOM 0 HE2 LYS A 391 -0.188 6.836 9.416 1.00 0.00 H new ATOM 0 HE3 LYS A 391 0.415 8.214 8.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 391 -1.123 8.895 10.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 391 -1.766 9.258 8.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 391 -2.349 7.923 9.580 1.00 0.00 H new ATOM 143 N ILE A 392 1.915 3.674 5.913 1.00 0.00 N ATOM 144 CA ILE A 392 2.018 2.383 6.596 1.00 0.00 C ATOM 145 C ILE A 392 3.463 1.885 6.665 1.00 0.00 C ATOM 146 O ILE A 392 3.969 1.596 7.749 1.00 0.00 O ATOM 147 CB ILE A 392 1.131 1.304 5.917 1.00 0.00 C ATOM 148 CG1 ILE A 392 -0.356 1.549 6.197 1.00 0.00 C ATOM 149 CG2 ILE A 392 1.511 -0.091 6.389 1.00 0.00 C ATOM 150 CD1 ILE A 392 -0.919 2.801 5.586 1.00 0.00 C ATOM 0 H ILE A 392 1.253 3.685 5.137 1.00 0.00 H new ATOM 0 HA ILE A 392 1.659 2.547 7.612 1.00 0.00 H new ATOM 0 HB ILE A 392 1.303 1.376 4.843 1.00 0.00 H new ATOM 0 HG12 ILE A 392 -0.925 0.695 5.829 1.00 0.00 H new ATOM 0 HG13 ILE A 392 -0.505 1.590 7.276 1.00 0.00 H new ATOM 0 HG21 ILE A 392 0.874 -0.827 5.898 1.00 0.00 H new ATOM 0 HG22 ILE A 392 2.553 -0.288 6.139 1.00 0.00 H new ATOM 0 HG23 ILE A 392 1.378 -0.159 7.469 1.00 0.00 H new ATOM 0 HD11 ILE A 392 -1.976 2.886 5.840 1.00 0.00 H new ATOM 0 HD12 ILE A 392 -0.382 3.667 5.972 1.00 0.00 H new ATOM 0 HD13 ILE A 392 -0.808 2.759 4.502 1.00 0.00 H new ATOM 162 N THR A 393 4.119 1.816 5.510 1.00 0.00 N ATOM 163 CA THR A 393 5.523 1.395 5.405 1.00 0.00 C ATOM 164 C THR A 393 5.769 0.046 6.090 1.00 0.00 C ATOM 165 O THR A 393 6.836 -0.197 6.656 1.00 0.00 O ATOM 166 CB THR A 393 6.492 2.469 5.972 1.00 0.00 C ATOM 167 OG1 THR A 393 6.292 2.661 7.383 1.00 0.00 O ATOM 168 CG2 THR A 393 6.288 3.796 5.260 1.00 0.00 C ATOM 0 H THR A 393 3.694 2.051 4.613 1.00 0.00 H new ATOM 0 HA THR A 393 5.729 1.277 4.341 1.00 0.00 H new ATOM 0 HB THR A 393 7.508 2.112 5.805 1.00 0.00 H new ATOM 0 HG1 THR A 393 5.621 2.025 7.708 1.00 0.00 H new ATOM 0 HG21 THR A 393 6.974 4.538 5.669 1.00 0.00 H new ATOM 0 HG22 THR A 393 6.482 3.671 4.195 1.00 0.00 H new ATOM 0 HG23 THR A 393 5.262 4.133 5.405 1.00 0.00 H new ATOM 176 N GLU A 394 4.783 -0.839 5.989 1.00 0.00 N ATOM 177 CA GLU A 394 4.866 -2.179 6.571 1.00 0.00 C ATOM 178 C GLU A 394 4.137 -3.178 5.685 1.00 0.00 C ATOM 179 O GLU A 394 2.972 -2.976 5.359 1.00 0.00 O ATOM 180 CB GLU A 394 4.247 -2.198 7.972 1.00 0.00 C ATOM 181 CG GLU A 394 5.131 -1.592 9.048 1.00 0.00 C ATOM 182 CD GLU A 394 6.251 -2.520 9.466 1.00 0.00 C ATOM 183 OE1 GLU A 394 7.037 -2.949 8.598 1.00 0.00 O ATOM 184 OE2 GLU A 394 6.346 -2.830 10.671 1.00 0.00 O ATOM 0 H GLU A 394 3.906 -0.651 5.504 1.00 0.00 H new ATOM 0 HA GLU A 394 5.918 -2.455 6.644 1.00 0.00 H new ATOM 0 HB2 GLU A 394 3.301 -1.657 7.947 1.00 0.00 H new ATOM 0 HB3 GLU A 394 4.018 -3.229 8.243 1.00 0.00 H new ATOM 0 HG2 GLU A 394 5.555 -0.657 8.682 1.00 0.00 H new ATOM 0 HG3 GLU A 394 4.523 -1.346 9.918 1.00 0.00 H new ATOM 191 N GLU A 395 4.827 -4.239 5.287 1.00 0.00 N ATOM 192 CA GLU A 395 4.270 -5.248 4.395 1.00 0.00 C ATOM 193 C GLU A 395 3.065 -5.975 5.004 1.00 0.00 C ATOM 194 O GLU A 395 2.011 -6.048 4.367 1.00 0.00 O ATOM 195 CB GLU A 395 5.359 -6.246 3.990 1.00 0.00 C ATOM 196 CG GLU A 395 4.860 -7.413 3.155 1.00 0.00 C ATOM 197 CD GLU A 395 5.993 -8.223 2.571 1.00 0.00 C ATOM 198 OE1 GLU A 395 6.944 -8.547 3.313 1.00 0.00 O ATOM 199 OE2 GLU A 395 5.936 -8.555 1.369 1.00 0.00 O ATOM 0 H GLU A 395 5.788 -4.424 5.573 1.00 0.00 H new ATOM 0 HA GLU A 395 3.904 -4.732 3.508 1.00 0.00 H new ATOM 0 HB2 GLU A 395 6.130 -5.717 3.429 1.00 0.00 H new ATOM 0 HB3 GLU A 395 5.832 -6.636 4.892 1.00 0.00 H new ATOM 0 HG2 GLU A 395 4.235 -8.058 3.772 1.00 0.00 H new ATOM 0 HG3 GLU A 395 4.231 -7.037 2.348 1.00 0.00 H new ATOM 206 N PRO A 396 3.172 -6.502 6.246 1.00 0.00 N ATOM 207 CA PRO A 396 2.064 -7.224 6.875 1.00 0.00 C ATOM 208 C PRO A 396 0.821 -6.352 7.013 1.00 0.00 C ATOM 209 O PRO A 396 -0.284 -6.766 6.661 1.00 0.00 O ATOM 210 CB PRO A 396 2.602 -7.625 8.255 1.00 0.00 C ATOM 211 CG PRO A 396 3.810 -6.778 8.479 1.00 0.00 C ATOM 212 CD PRO A 396 4.360 -6.453 7.121 1.00 0.00 C ATOM 0 HA PRO A 396 1.753 -8.081 6.278 1.00 0.00 H new ATOM 0 HB2 PRO A 396 1.855 -7.455 9.031 1.00 0.00 H new ATOM 0 HB3 PRO A 396 2.856 -8.685 8.283 1.00 0.00 H new ATOM 0 HG2 PRO A 396 3.551 -5.868 9.021 1.00 0.00 H new ATOM 0 HG3 PRO A 396 4.549 -7.307 9.080 1.00 0.00 H new ATOM 0 HD2 PRO A 396 4.831 -5.470 7.104 1.00 0.00 H new ATOM 0 HD3 PRO A 396 5.116 -7.174 6.811 1.00 0.00 H new ATOM 220 N LYS A 397 1.019 -5.122 7.467 1.00 0.00 N ATOM 221 CA LYS A 397 -0.080 -4.181 7.615 1.00 0.00 C ATOM 222 C LYS A 397 -0.637 -3.766 6.255 1.00 0.00 C ATOM 223 O LYS A 397 -1.850 -3.742 6.063 1.00 0.00 O ATOM 224 CB LYS A 397 0.374 -2.937 8.383 1.00 0.00 C ATOM 225 CG LYS A 397 0.808 -3.221 9.812 1.00 0.00 C ATOM 226 CD LYS A 397 1.203 -1.941 10.531 1.00 0.00 C ATOM 227 CE LYS A 397 1.660 -2.215 11.956 1.00 0.00 C ATOM 228 NZ LYS A 397 0.595 -2.857 12.770 1.00 0.00 N ATOM 0 H LYS A 397 1.931 -4.754 7.739 1.00 0.00 H new ATOM 0 HA LYS A 397 -0.868 -4.682 8.177 1.00 0.00 H new ATOM 0 HB2 LYS A 397 1.202 -2.473 7.847 1.00 0.00 H new ATOM 0 HB3 LYS A 397 -0.441 -2.213 8.398 1.00 0.00 H new ATOM 0 HG2 LYS A 397 -0.004 -3.709 10.351 1.00 0.00 H new ATOM 0 HG3 LYS A 397 1.649 -3.914 9.808 1.00 0.00 H new ATOM 0 HD2 LYS A 397 2.003 -1.447 9.981 1.00 0.00 H new ATOM 0 HD3 LYS A 397 0.356 -1.255 10.546 1.00 0.00 H new ATOM 0 HE2 LYS A 397 2.539 -2.859 11.937 1.00 0.00 H new ATOM 0 HE3 LYS A 397 1.961 -1.279 12.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 397 0.860 -2.826 13.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 397 -0.301 -2.348 12.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 397 0.480 -3.847 12.472 1.00 0.00 H new ATOM 242 N CYS A 398 0.253 -3.371 5.348 1.00 0.00 N ATOM 243 CA CYS A 398 -0.144 -2.837 4.045 1.00 0.00 C ATOM 244 C CYS A 398 -0.957 -3.841 3.244 1.00 0.00 C ATOM 245 O CYS A 398 -1.938 -3.479 2.596 1.00 0.00 O ATOM 246 CB CYS A 398 1.088 -2.439 3.237 1.00 0.00 C ATOM 247 SG CYS A 398 0.741 -1.309 1.859 1.00 0.00 S ATOM 0 H CYS A 398 1.262 -3.411 5.492 1.00 0.00 H new ATOM 0 HA CYS A 398 -0.766 -1.962 4.235 1.00 0.00 H new ATOM 0 HB2 CYS A 398 1.810 -1.969 3.905 1.00 0.00 H new ATOM 0 HB3 CYS A 398 1.557 -3.341 2.843 1.00 0.00 H new ATOM 252 N SER A 399 -0.509 -5.088 3.245 1.00 0.00 N ATOM 253 CA SER A 399 -1.155 -6.131 2.472 1.00 0.00 C ATOM 254 C SER A 399 -2.602 -6.325 2.937 1.00 0.00 C ATOM 255 O SER A 399 -3.495 -6.595 2.131 1.00 0.00 O ATOM 256 CB SER A 399 -0.358 -7.432 2.597 1.00 0.00 C ATOM 257 OG SER A 399 -0.752 -8.374 1.612 1.00 0.00 O ATOM 0 H SER A 399 0.304 -5.400 3.776 1.00 0.00 H new ATOM 0 HA SER A 399 -1.180 -5.837 1.423 1.00 0.00 H new ATOM 0 HB2 SER A 399 0.706 -7.220 2.496 1.00 0.00 H new ATOM 0 HB3 SER A 399 -0.505 -7.857 3.590 1.00 0.00 H new ATOM 0 HG SER A 399 -0.226 -9.194 1.715 1.00 0.00 H new ATOM 263 N GLU A 400 -2.828 -6.152 4.237 1.00 0.00 N ATOM 264 CA GLU A 400 -4.162 -6.280 4.813 1.00 0.00 C ATOM 265 C GLU A 400 -4.935 -4.961 4.735 1.00 0.00 C ATOM 266 O GLU A 400 -6.165 -4.952 4.805 1.00 0.00 O ATOM 267 CB GLU A 400 -4.074 -6.755 6.264 1.00 0.00 C ATOM 268 CG GLU A 400 -3.337 -8.074 6.424 1.00 0.00 C ATOM 269 CD GLU A 400 -3.413 -8.616 7.835 1.00 0.00 C ATOM 270 OE1 GLU A 400 -4.532 -8.949 8.283 1.00 0.00 O ATOM 271 OE2 GLU A 400 -2.363 -8.704 8.507 1.00 0.00 O ATOM 0 H GLU A 400 -2.100 -5.922 4.913 1.00 0.00 H new ATOM 0 HA GLU A 400 -4.705 -7.023 4.228 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -3.571 -5.992 6.858 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -5.082 -6.859 6.666 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -3.757 -8.806 5.734 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -2.292 -7.938 6.147 1.00 0.00 H new ATOM 278 N GLU A 401 -4.208 -3.847 4.644 1.00 0.00 N ATOM 279 CA GLU A 401 -4.820 -2.518 4.594 1.00 0.00 C ATOM 280 C GLU A 401 -5.816 -2.399 3.448 1.00 0.00 C ATOM 281 O GLU A 401 -5.584 -2.910 2.350 1.00 0.00 O ATOM 282 CB GLU A 401 -3.754 -1.428 4.455 1.00 0.00 C ATOM 283 CG GLU A 401 -3.135 -0.982 5.771 1.00 0.00 C ATOM 284 CD GLU A 401 -4.154 -0.399 6.726 1.00 0.00 C ATOM 285 OE1 GLU A 401 -4.992 -1.166 7.250 1.00 0.00 O ATOM 286 OE2 GLU A 401 -4.145 0.831 6.937 1.00 0.00 O ATOM 0 H GLU A 401 -3.189 -3.839 4.603 1.00 0.00 H new ATOM 0 HA GLU A 401 -5.355 -2.381 5.534 1.00 0.00 H new ATOM 0 HB2 GLU A 401 -2.962 -1.793 3.800 1.00 0.00 H new ATOM 0 HB3 GLU A 401 -4.199 -0.562 3.965 1.00 0.00 H new ATOM 0 HG2 GLU A 401 -2.644 -1.833 6.244 1.00 0.00 H new ATOM 0 HG3 GLU A 401 -2.363 -0.239 5.572 1.00 0.00 H new ATOM 293 N LYS A 402 -6.921 -1.719 3.714 1.00 0.00 N ATOM 294 CA LYS A 402 -7.964 -1.524 2.727 1.00 0.00 C ATOM 295 C LYS A 402 -7.436 -0.746 1.527 1.00 0.00 C ATOM 296 O LYS A 402 -6.886 0.344 1.681 1.00 0.00 O ATOM 297 CB LYS A 402 -9.143 -0.784 3.357 1.00 0.00 C ATOM 298 CG LYS A 402 -10.371 -0.730 2.472 1.00 0.00 C ATOM 299 CD LYS A 402 -11.508 0.013 3.150 1.00 0.00 C ATOM 300 CE LYS A 402 -12.748 0.058 2.274 1.00 0.00 C ATOM 301 NZ LYS A 402 -13.290 -1.298 1.993 1.00 0.00 N ATOM 0 H LYS A 402 -7.117 -1.289 4.618 1.00 0.00 H new ATOM 0 HA LYS A 402 -8.299 -2.501 2.379 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -9.405 -1.269 4.297 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -8.835 0.233 3.598 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -10.123 -0.239 1.531 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -10.690 -1.743 2.228 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -11.748 -0.473 4.096 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -11.191 1.029 3.385 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -13.514 0.659 2.764 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -12.508 0.553 1.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -14.236 -1.213 1.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -12.659 -1.794 1.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -13.354 -1.837 2.880 1.00 0.00 H new ATOM 315 N ILE A 403 -7.600 -1.340 0.346 1.00 0.00 N ATOM 316 CA ILE A 403 -7.191 -0.759 -0.938 1.00 0.00 C ATOM 317 C ILE A 403 -5.703 -0.351 -0.959 1.00 0.00 C ATOM 318 O ILE A 403 -5.242 0.353 -1.866 1.00 0.00 O ATOM 319 CB ILE A 403 -8.122 0.418 -1.345 1.00 0.00 C ATOM 320 CG1 ILE A 403 -8.240 0.485 -2.868 1.00 0.00 C ATOM 321 CG2 ILE A 403 -7.649 1.756 -0.788 1.00 0.00 C ATOM 322 CD1 ILE A 403 -9.361 1.381 -3.349 1.00 0.00 C ATOM 0 H ILE A 403 -8.030 -2.260 0.250 1.00 0.00 H new ATOM 0 HA ILE A 403 -7.300 -1.542 -1.689 1.00 0.00 H new ATOM 0 HB ILE A 403 -9.102 0.224 -0.910 1.00 0.00 H new ATOM 0 HG12 ILE A 403 -7.297 0.842 -3.282 1.00 0.00 H new ATOM 0 HG13 ILE A 403 -8.398 -0.521 -3.257 1.00 0.00 H new ATOM 0 HG21 ILE A 403 -8.334 2.543 -1.102 1.00 0.00 H new ATOM 0 HG22 ILE A 403 -7.625 1.709 0.301 1.00 0.00 H new ATOM 0 HG23 ILE A 403 -6.649 1.974 -1.164 1.00 0.00 H new ATOM 0 HD11 ILE A 403 -9.385 1.380 -4.439 1.00 0.00 H new ATOM 0 HD12 ILE A 403 -10.312 1.012 -2.965 1.00 0.00 H new ATOM 0 HD13 ILE A 403 -9.194 2.397 -2.990 1.00 0.00 H new ATOM 334 N CYS A 404 -4.921 -0.990 -0.099 1.00 0.00 N ATOM 335 CA CYS A 404 -3.474 -0.847 -0.129 1.00 0.00 C ATOM 336 C CYS A 404 -2.839 -2.168 -0.540 1.00 0.00 C ATOM 337 O CYS A 404 -3.416 -3.233 -0.320 1.00 0.00 O ATOM 338 CB CYS A 404 -2.944 -0.420 1.241 1.00 0.00 C ATOM 339 SG CYS A 404 -3.664 1.129 1.880 1.00 0.00 S ATOM 0 H CYS A 404 -5.267 -1.614 0.630 1.00 0.00 H new ATOM 0 HA CYS A 404 -3.214 -0.076 -0.854 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -3.138 -1.219 1.957 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -1.862 -0.304 1.178 1.00 0.00 H new ATOM 344 N SER A 405 -1.676 -2.104 -1.167 1.00 0.00 N ATOM 345 CA SER A 405 -0.977 -3.305 -1.590 1.00 0.00 C ATOM 346 C SER A 405 0.524 -3.059 -1.553 1.00 0.00 C ATOM 347 O SER A 405 0.980 -1.928 -1.742 1.00 0.00 O ATOM 348 CB SER A 405 -1.421 -3.725 -2.995 1.00 0.00 C ATOM 349 OG SER A 405 -0.972 -5.033 -3.312 1.00 0.00 O ATOM 0 H SER A 405 -1.196 -1.233 -1.394 1.00 0.00 H new ATOM 0 HA SER A 405 -1.222 -4.117 -0.906 1.00 0.00 H new ATOM 0 HB2 SER A 405 -2.508 -3.686 -3.061 1.00 0.00 H new ATOM 0 HB3 SER A 405 -1.032 -3.018 -3.728 1.00 0.00 H new ATOM 0 HG SER A 405 -1.639 -5.688 -3.018 1.00 0.00 H new ATOM 355 N TRP A 406 1.271 -4.081 -1.169 1.00 0.00 N ATOM 356 CA TRP A 406 2.701 -3.941 -0.973 1.00 0.00 C ATOM 357 C TRP A 406 3.461 -4.002 -2.293 1.00 0.00 C ATOM 358 O TRP A 406 3.508 -5.038 -2.961 1.00 0.00 O ATOM 359 CB TRP A 406 3.211 -5.026 -0.028 1.00 0.00 C ATOM 360 CG TRP A 406 4.609 -4.783 0.443 1.00 0.00 C ATOM 361 CD1 TRP A 406 5.714 -5.524 0.150 1.00 0.00 C ATOM 362 CD2 TRP A 406 5.045 -3.730 1.307 1.00 0.00 C ATOM 363 NE1 TRP A 406 6.811 -4.993 0.770 1.00 0.00 N ATOM 364 CE2 TRP A 406 6.430 -3.894 1.491 1.00 0.00 C ATOM 365 CE3 TRP A 406 4.403 -2.667 1.945 1.00 0.00 C ATOM 366 CZ2 TRP A 406 7.179 -3.034 2.282 1.00 0.00 C ATOM 367 CZ3 TRP A 406 5.151 -1.813 2.732 1.00 0.00 C ATOM 368 CH2 TRP A 406 6.527 -2.003 2.895 1.00 0.00 C ATOM 0 H TRP A 406 0.909 -5.017 -0.987 1.00 0.00 H new ATOM 0 HA TRP A 406 2.879 -2.961 -0.531 1.00 0.00 H new ATOM 0 HB2 TRP A 406 2.549 -5.088 0.835 1.00 0.00 H new ATOM 0 HB3 TRP A 406 3.167 -5.990 -0.534 1.00 0.00 H new ATOM 0 HD1 TRP A 406 5.722 -6.402 -0.479 1.00 0.00 H new ATOM 0 HE1 TRP A 406 7.761 -5.358 0.705 1.00 0.00 H new ATOM 0 HE3 TRP A 406 3.340 -2.515 1.825 1.00 0.00 H new ATOM 0 HZ2 TRP A 406 8.242 -3.176 2.408 1.00 0.00 H new ATOM 0 HZ3 TRP A 406 4.666 -0.986 3.229 1.00 0.00 H new ATOM 0 HH2 TRP A 406 7.085 -1.320 3.518 1.00 0.00 H new ATOM 379 N HIS A 407 4.155 -2.918 -2.581 1.00 0.00 N ATOM 380 CA HIS A 407 5.057 -2.826 -3.717 1.00 0.00 C ATOM 381 C HIS A 407 6.379 -3.484 -3.334 1.00 0.00 C ATOM 382 O HIS A 407 7.221 -2.846 -2.709 1.00 0.00 O ATOM 383 CB HIS A 407 5.275 -1.346 -4.046 1.00 0.00 C ATOM 384 CG HIS A 407 5.572 -1.024 -5.473 1.00 0.00 C ATOM 385 ND1 HIS A 407 6.651 -1.526 -6.158 1.00 0.00 N ATOM 386 CD2 HIS A 407 4.951 -0.177 -6.326 1.00 0.00 C ATOM 387 CE1 HIS A 407 6.687 -1.001 -7.365 1.00 0.00 C ATOM 388 NE2 HIS A 407 5.665 -0.181 -7.495 1.00 0.00 N ATOM 0 H HIS A 407 4.109 -2.064 -2.026 1.00 0.00 H new ATOM 0 HA HIS A 407 4.642 -3.330 -4.590 1.00 0.00 H new ATOM 0 HB2 HIS A 407 4.383 -0.794 -3.749 1.00 0.00 H new ATOM 0 HB3 HIS A 407 6.097 -0.977 -3.433 1.00 0.00 H new ATOM 0 HD1 HIS A 407 7.321 -2.201 -5.789 1.00 0.00 H new ATOM 0 HD2 HIS A 407 4.058 0.396 -6.123 1.00 0.00 H new ATOM 0 HE1 HIS A 407 7.430 -1.208 -8.121 1.00 0.00 H new ATOM 397 N LYS A 408 6.449 -4.802 -3.500 1.00 0.00 N ATOM 398 CA LYS A 408 7.572 -5.593 -2.985 1.00 0.00 C ATOM 399 C LYS A 408 8.913 -5.057 -3.480 1.00 0.00 C ATOM 400 O LYS A 408 9.698 -4.512 -2.703 1.00 0.00 O ATOM 401 CB LYS A 408 7.409 -7.059 -3.393 1.00 0.00 C ATOM 402 CG LYS A 408 6.113 -7.684 -2.898 1.00 0.00 C ATOM 403 CD LYS A 408 6.004 -9.148 -3.291 1.00 0.00 C ATOM 404 CE LYS A 408 5.884 -9.321 -4.798 1.00 0.00 C ATOM 405 NZ LYS A 408 5.778 -10.753 -5.183 1.00 0.00 N ATOM 0 H LYS A 408 5.741 -5.350 -3.988 1.00 0.00 H new ATOM 0 HA LYS A 408 7.565 -5.515 -1.898 1.00 0.00 H new ATOM 0 HB2 LYS A 408 7.447 -7.132 -4.480 1.00 0.00 H new ATOM 0 HB3 LYS A 408 8.251 -7.632 -3.005 1.00 0.00 H new ATOM 0 HG2 LYS A 408 6.058 -7.594 -1.813 1.00 0.00 H new ATOM 0 HG3 LYS A 408 5.265 -7.134 -3.307 1.00 0.00 H new ATOM 0 HD2 LYS A 408 6.881 -9.687 -2.932 1.00 0.00 H new ATOM 0 HD3 LYS A 408 5.136 -9.591 -2.804 1.00 0.00 H new ATOM 0 HE2 LYS A 408 5.007 -8.782 -5.157 1.00 0.00 H new ATOM 0 HE3 LYS A 408 6.752 -8.877 -5.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 5.698 -10.829 -6.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 6.626 -11.262 -4.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 4.935 -11.170 -4.739 1.00 0.00 H new ATOM 419 N GLU A 409 9.120 -5.115 -4.784 1.00 0.00 N ATOM 420 CA GLU A 409 10.300 -4.525 -5.395 1.00 0.00 C ATOM 421 C GLU A 409 10.034 -3.054 -5.667 1.00 0.00 C ATOM 422 O GLU A 409 8.951 -2.705 -6.123 1.00 0.00 O ATOM 423 CB GLU A 409 10.635 -5.249 -6.698 1.00 0.00 C ATOM 424 CG GLU A 409 11.804 -4.639 -7.449 1.00 0.00 C ATOM 425 CD GLU A 409 11.947 -5.195 -8.847 1.00 0.00 C ATOM 426 OE1 GLU A 409 11.025 -5.001 -9.665 1.00 0.00 O ATOM 427 OE2 GLU A 409 12.982 -5.833 -9.131 1.00 0.00 O ATOM 0 H GLU A 409 8.485 -5.566 -5.442 1.00 0.00 H new ATOM 0 HA GLU A 409 11.149 -4.623 -4.718 1.00 0.00 H new ATOM 0 HB2 GLU A 409 10.861 -6.292 -6.477 1.00 0.00 H new ATOM 0 HB3 GLU A 409 9.757 -5.243 -7.343 1.00 0.00 H new ATOM 0 HG2 GLU A 409 11.673 -3.558 -7.503 1.00 0.00 H new ATOM 0 HG3 GLU A 409 12.724 -4.821 -6.893 1.00 0.00 H new ATOM 434 N VAL A 410 10.988 -2.189 -5.349 1.00 0.00 N ATOM 435 CA VAL A 410 10.795 -0.754 -5.535 1.00 0.00 C ATOM 436 C VAL A 410 12.039 -0.074 -6.085 1.00 0.00 C ATOM 437 O VAL A 410 13.150 -0.274 -5.588 1.00 0.00 O ATOM 438 CB VAL A 410 10.390 -0.046 -4.225 1.00 0.00 C ATOM 439 CG1 VAL A 410 8.927 -0.293 -3.902 1.00 0.00 C ATOM 440 CG2 VAL A 410 11.278 -0.490 -3.070 1.00 0.00 C ATOM 0 H VAL A 410 11.896 -2.451 -4.964 1.00 0.00 H new ATOM 0 HA VAL A 410 9.985 -0.663 -6.259 1.00 0.00 H new ATOM 0 HB VAL A 410 10.528 1.026 -4.368 1.00 0.00 H new ATOM 0 HG11 VAL A 410 8.668 0.217 -2.974 1.00 0.00 H new ATOM 0 HG12 VAL A 410 8.306 0.090 -4.712 1.00 0.00 H new ATOM 0 HG13 VAL A 410 8.755 -1.363 -3.788 1.00 0.00 H new ATOM 0 HG21 VAL A 410 10.973 0.023 -2.158 1.00 0.00 H new ATOM 0 HG22 VAL A 410 11.182 -1.567 -2.930 1.00 0.00 H new ATOM 0 HG23 VAL A 410 12.316 -0.245 -3.294 1.00 0.00 H new ATOM 450 N LYS A 411 11.819 0.819 -7.039 1.00 0.00 N ATOM 451 CA LYS A 411 12.876 1.668 -7.569 1.00 0.00 C ATOM 452 C LYS A 411 13.151 2.795 -6.580 1.00 0.00 C ATOM 453 O LYS A 411 12.244 3.214 -5.859 1.00 0.00 O ATOM 454 CB LYS A 411 12.448 2.241 -8.925 1.00 0.00 C ATOM 455 CG LYS A 411 13.506 3.086 -9.616 1.00 0.00 C ATOM 456 CD LYS A 411 12.992 3.633 -10.937 1.00 0.00 C ATOM 457 CE LYS A 411 12.632 2.512 -11.899 1.00 0.00 C ATOM 458 NZ LYS A 411 11.889 3.013 -13.083 1.00 0.00 N ATOM 0 H LYS A 411 10.906 0.975 -7.466 1.00 0.00 H new ATOM 0 HA LYS A 411 13.785 1.084 -7.710 1.00 0.00 H new ATOM 0 HB2 LYS A 411 12.173 1.417 -9.583 1.00 0.00 H new ATOM 0 HB3 LYS A 411 11.553 2.847 -8.783 1.00 0.00 H new ATOM 0 HG2 LYS A 411 13.798 3.911 -8.966 1.00 0.00 H new ATOM 0 HG3 LYS A 411 14.399 2.486 -9.790 1.00 0.00 H new ATOM 0 HD2 LYS A 411 12.116 4.256 -10.758 1.00 0.00 H new ATOM 0 HD3 LYS A 411 13.751 4.272 -11.388 1.00 0.00 H new ATOM 0 HE2 LYS A 411 13.542 2.010 -12.228 1.00 0.00 H new ATOM 0 HE3 LYS A 411 12.028 1.768 -11.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 411 11.663 2.217 -13.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 411 11.008 3.470 -12.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 411 12.475 3.704 -13.594 1.00 0.00 H new ATOM 472 N ALA A 412 14.395 3.258 -6.512 1.00 0.00 N ATOM 473 CA ALA A 412 14.753 4.338 -5.599 1.00 0.00 C ATOM 474 C ALA A 412 13.972 5.601 -5.944 1.00 0.00 C ATOM 475 O ALA A 412 14.236 6.250 -6.960 1.00 0.00 O ATOM 476 CB ALA A 412 16.252 4.603 -5.644 1.00 0.00 C ATOM 0 H ALA A 412 15.169 2.905 -7.075 1.00 0.00 H new ATOM 0 HA ALA A 412 14.492 4.036 -4.585 1.00 0.00 H new ATOM 0 HB1 ALA A 412 16.499 5.412 -4.956 1.00 0.00 H new ATOM 0 HB2 ALA A 412 16.790 3.701 -5.352 1.00 0.00 H new ATOM 0 HB3 ALA A 412 16.541 4.886 -6.656 1.00 0.00 H new ATOM 482 N GLY A 413 12.947 5.883 -5.156 1.00 0.00 N ATOM 483 CA GLY A 413 12.067 6.994 -5.448 1.00 0.00 C ATOM 484 C GLY A 413 10.612 6.601 -5.305 1.00 0.00 C ATOM 485 O GLY A 413 9.770 7.421 -4.942 1.00 0.00 O ATOM 0 H GLY A 413 12.708 5.359 -4.314 1.00 0.00 H new ATOM 0 HA2 GLY A 413 12.289 7.822 -4.775 1.00 0.00 H new ATOM 0 HA3 GLY A 413 12.251 7.349 -6.462 1.00 0.00 H new ATOM 489 N GLU A 414 10.319 5.337 -5.593 1.00 0.00 N ATOM 490 CA GLU A 414 8.962 4.808 -5.484 1.00 0.00 C ATOM 491 C GLU A 414 8.572 4.592 -4.019 1.00 0.00 C ATOM 492 O GLU A 414 9.313 4.960 -3.107 1.00 0.00 O ATOM 493 CB GLU A 414 8.846 3.490 -6.258 1.00 0.00 C ATOM 494 CG GLU A 414 8.913 3.662 -7.768 1.00 0.00 C ATOM 495 CD GLU A 414 8.950 2.344 -8.516 1.00 0.00 C ATOM 496 OE1 GLU A 414 9.251 1.304 -7.893 1.00 0.00 O ATOM 497 OE2 GLU A 414 8.707 2.346 -9.743 1.00 0.00 O ATOM 0 H GLU A 414 11.009 4.654 -5.906 1.00 0.00 H new ATOM 0 HA GLU A 414 8.277 5.538 -5.915 1.00 0.00 H new ATOM 0 HB2 GLU A 414 9.646 2.821 -5.941 1.00 0.00 H new ATOM 0 HB3 GLU A 414 7.904 3.007 -5.997 1.00 0.00 H new ATOM 0 HG2 GLU A 414 8.049 4.238 -8.101 1.00 0.00 H new ATOM 0 HG3 GLU A 414 9.800 4.242 -8.023 1.00 0.00 H new ATOM 504 N LYS A 415 7.443 3.934 -3.796 1.00 0.00 N ATOM 505 CA LYS A 415 6.996 3.620 -2.445 1.00 0.00 C ATOM 506 C LYS A 415 6.466 2.198 -2.378 1.00 0.00 C ATOM 507 O LYS A 415 5.808 1.734 -3.308 1.00 0.00 O ATOM 508 CB LYS A 415 5.912 4.603 -1.984 1.00 0.00 C ATOM 509 CG LYS A 415 6.458 5.917 -1.444 1.00 0.00 C ATOM 510 CD LYS A 415 7.338 5.688 -0.224 1.00 0.00 C ATOM 511 CE LYS A 415 7.695 6.993 0.475 1.00 0.00 C ATOM 512 NZ LYS A 415 8.477 7.908 -0.395 1.00 0.00 N ATOM 0 H LYS A 415 6.819 3.607 -4.533 1.00 0.00 H new ATOM 0 HA LYS A 415 7.853 3.712 -1.778 1.00 0.00 H new ATOM 0 HB2 LYS A 415 5.247 4.814 -2.822 1.00 0.00 H new ATOM 0 HB3 LYS A 415 5.309 4.127 -1.211 1.00 0.00 H new ATOM 0 HG2 LYS A 415 7.033 6.421 -2.221 1.00 0.00 H new ATOM 0 HG3 LYS A 415 5.631 6.576 -1.180 1.00 0.00 H new ATOM 0 HD2 LYS A 415 6.823 5.031 0.476 1.00 0.00 H new ATOM 0 HD3 LYS A 415 8.252 5.177 -0.527 1.00 0.00 H new ATOM 0 HE2 LYS A 415 6.780 7.493 0.794 1.00 0.00 H new ATOM 0 HE3 LYS A 415 8.269 6.774 1.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 415 8.738 8.759 0.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 415 9.339 7.426 -0.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 415 7.902 8.181 -1.217 1.00 0.00 H new ATOM 526 N ASN A 416 6.817 1.490 -1.312 1.00 0.00 N ATOM 527 CA ASN A 416 6.402 0.106 -1.149 1.00 0.00 C ATOM 528 C ASN A 416 4.918 0.033 -0.806 1.00 0.00 C ATOM 529 O ASN A 416 4.116 -0.481 -1.575 1.00 0.00 O ATOM 530 CB ASN A 416 7.215 -0.599 -0.060 1.00 0.00 C ATOM 531 CG ASN A 416 8.685 -0.748 -0.402 1.00 0.00 C ATOM 532 OD1 ASN A 416 9.450 0.219 -0.360 1.00 0.00 O ATOM 533 ND2 ASN A 416 9.086 -1.956 -0.760 1.00 0.00 N ATOM 0 H ASN A 416 7.388 1.853 -0.549 1.00 0.00 H new ATOM 0 HA ASN A 416 6.582 -0.403 -2.096 1.00 0.00 H new ATOM 0 HB2 ASN A 416 7.122 -0.040 0.871 1.00 0.00 H new ATOM 0 HB3 ASN A 416 6.790 -1.587 0.117 1.00 0.00 H new ATOM 0 HD21 ASN A 416 10.061 -2.115 -1.015 1.00 0.00 H new ATOM 0 HD22 ASN A 416 8.421 -2.729 -0.781 1.00 0.00 H new ATOM 540 N CYS A 417 4.524 0.607 0.315 1.00 0.00 N ATOM 541 CA CYS A 417 3.113 0.640 0.647 1.00 0.00 C ATOM 542 C CYS A 417 2.442 1.769 -0.113 1.00 0.00 C ATOM 543 O CYS A 417 2.836 2.932 0.006 1.00 0.00 O ATOM 544 CB CYS A 417 2.890 0.804 2.147 1.00 0.00 C ATOM 545 SG CYS A 417 1.168 0.504 2.653 1.00 0.00 S ATOM 0 H CYS A 417 5.143 1.047 0.996 1.00 0.00 H new ATOM 0 HA CYS A 417 2.671 -0.313 0.356 1.00 0.00 H new ATOM 0 HB2 CYS A 417 3.544 0.116 2.682 1.00 0.00 H new ATOM 0 HB3 CYS A 417 3.178 1.813 2.442 1.00 0.00 H new ATOM 550 N GLN A 418 1.504 1.415 -0.978 1.00 0.00 N ATOM 551 CA GLN A 418 0.878 2.391 -1.846 1.00 0.00 C ATOM 552 C GLN A 418 -0.468 1.907 -2.368 1.00 0.00 C ATOM 553 O GLN A 418 -0.872 0.763 -2.137 1.00 0.00 O ATOM 554 CB GLN A 418 1.816 2.762 -3.005 1.00 0.00 C ATOM 555 CG GLN A 418 2.575 1.590 -3.617 1.00 0.00 C ATOM 556 CD GLN A 418 1.724 0.736 -4.531 1.00 0.00 C ATOM 557 OE1 GLN A 418 1.226 1.210 -5.551 1.00 0.00 O ATOM 558 NE2 GLN A 418 1.550 -0.525 -4.172 1.00 0.00 N ATOM 0 H GLN A 418 1.163 0.461 -1.095 1.00 0.00 H new ATOM 0 HA GLN A 418 0.689 3.285 -1.252 1.00 0.00 H new ATOM 0 HB2 GLN A 418 1.230 3.245 -3.787 1.00 0.00 H new ATOM 0 HB3 GLN A 418 2.538 3.497 -2.648 1.00 0.00 H new ATOM 0 HG2 GLN A 418 3.428 1.972 -4.178 1.00 0.00 H new ATOM 0 HG3 GLN A 418 2.974 0.967 -2.816 1.00 0.00 H new ATOM 0 HE21 GLN A 418 1.982 -0.876 -3.317 1.00 0.00 H new ATOM 0 HE22 GLN A 418 0.984 -1.146 -4.750 1.00 0.00 H new ATOM 567 N PHE A 419 -1.186 2.836 -2.978 1.00 0.00 N ATOM 568 CA PHE A 419 -2.527 2.604 -3.492 1.00 0.00 C ATOM 569 C PHE A 419 -2.519 1.531 -4.577 1.00 0.00 C ATOM 570 O PHE A 419 -1.827 1.671 -5.584 1.00 0.00 O ATOM 571 CB PHE A 419 -3.045 3.922 -4.074 1.00 0.00 C ATOM 572 CG PHE A 419 -4.507 3.942 -4.396 1.00 0.00 C ATOM 573 CD1 PHE A 419 -5.442 3.575 -3.449 1.00 0.00 C ATOM 574 CD2 PHE A 419 -4.943 4.353 -5.646 1.00 0.00 C ATOM 575 CE1 PHE A 419 -6.791 3.610 -3.745 1.00 0.00 C ATOM 576 CE2 PHE A 419 -6.291 4.392 -5.945 1.00 0.00 C ATOM 577 CZ PHE A 419 -7.216 4.018 -4.993 1.00 0.00 C ATOM 0 H PHE A 419 -0.849 3.786 -3.132 1.00 0.00 H new ATOM 0 HA PHE A 419 -3.171 2.257 -2.684 1.00 0.00 H new ATOM 0 HB2 PHE A 419 -2.834 4.722 -3.365 1.00 0.00 H new ATOM 0 HB3 PHE A 419 -2.485 4.145 -4.982 1.00 0.00 H new ATOM 0 HD1 PHE A 419 -5.116 3.258 -2.469 1.00 0.00 H new ATOM 0 HD2 PHE A 419 -4.221 4.646 -6.394 1.00 0.00 H new ATOM 0 HE1 PHE A 419 -7.514 3.318 -2.998 1.00 0.00 H new ATOM 0 HE2 PHE A 419 -6.620 4.715 -6.922 1.00 0.00 H new ATOM 0 HZ PHE A 419 -8.271 4.044 -5.224 1.00 0.00 H new ATOM 587 N ASN A 420 -3.315 0.480 -4.397 1.00 0.00 N ATOM 588 CA ASN A 420 -3.390 -0.572 -5.400 1.00 0.00 C ATOM 589 C ASN A 420 -4.434 -0.244 -6.463 1.00 0.00 C ATOM 590 O ASN A 420 -4.636 -1.013 -7.403 1.00 0.00 O ATOM 591 CB ASN A 420 -3.667 -1.950 -4.771 1.00 0.00 C ATOM 592 CG ASN A 420 -5.043 -2.110 -4.133 1.00 0.00 C ATOM 593 OD1 ASN A 420 -6.071 -1.778 -4.717 1.00 0.00 O ATOM 594 ND2 ASN A 420 -5.073 -2.693 -2.945 1.00 0.00 N ATOM 0 H ASN A 420 -3.907 0.337 -3.579 1.00 0.00 H new ATOM 0 HA ASN A 420 -2.414 -0.624 -5.882 1.00 0.00 H new ATOM 0 HB2 ASN A 420 -3.551 -2.713 -5.541 1.00 0.00 H new ATOM 0 HB3 ASN A 420 -2.908 -2.144 -4.013 1.00 0.00 H new ATOM 0 HD21 ASN A 420 -5.967 -2.878 -2.490 1.00 0.00 H new ATOM 0 HD22 ASN A 420 -4.202 -2.957 -2.485 1.00 0.00 H new ATOM 601 N SER A 421 -5.079 0.909 -6.311 1.00 0.00 N ATOM 602 CA SER A 421 -6.086 1.367 -7.258 1.00 0.00 C ATOM 603 C SER A 421 -7.285 0.412 -7.261 1.00 0.00 C ATOM 604 O SER A 421 -7.783 0.030 -6.200 1.00 0.00 O ATOM 605 CB SER A 421 -5.462 1.504 -8.656 1.00 0.00 C ATOM 606 OG SER A 421 -6.349 2.124 -9.570 1.00 0.00 O ATOM 0 H SER A 421 -4.918 1.548 -5.532 1.00 0.00 H new ATOM 0 HA SER A 421 -6.451 2.349 -6.956 1.00 0.00 H new ATOM 0 HB2 SER A 421 -4.544 2.087 -8.588 1.00 0.00 H new ATOM 0 HB3 SER A 421 -5.186 0.518 -9.029 1.00 0.00 H new ATOM 0 HG SER A 421 -5.918 2.196 -10.447 1.00 0.00 H new ATOM 612 N THR A 422 -7.743 0.024 -8.439 1.00 0.00 N ATOM 613 CA THR A 422 -8.874 -0.879 -8.557 1.00 0.00 C ATOM 614 C THR A 422 -8.434 -2.340 -8.471 1.00 0.00 C ATOM 615 O THR A 422 -9.090 -3.231 -9.008 1.00 0.00 O ATOM 616 CB THR A 422 -9.632 -0.631 -9.874 1.00 0.00 C ATOM 617 OG1 THR A 422 -8.700 -0.434 -10.947 1.00 0.00 O ATOM 618 CG2 THR A 422 -10.535 0.586 -9.755 1.00 0.00 C ATOM 0 H THR A 422 -7.347 0.322 -9.330 1.00 0.00 H new ATOM 0 HA THR A 422 -9.543 -0.677 -7.721 1.00 0.00 H new ATOM 0 HB THR A 422 -10.249 -1.505 -10.083 1.00 0.00 H new ATOM 0 HG1 THR A 422 -9.190 -0.279 -11.781 1.00 0.00 H new ATOM 0 HG21 THR A 422 -11.061 0.742 -10.697 1.00 0.00 H new ATOM 0 HG22 THR A 422 -11.260 0.425 -8.957 1.00 0.00 H new ATOM 0 HG23 THR A 422 -9.933 1.465 -9.525 1.00 0.00 H new ATOM 626 N LYS A 423 -7.366 -2.592 -7.720 1.00 0.00 N ATOM 627 CA LYS A 423 -6.897 -3.951 -7.491 1.00 0.00 C ATOM 628 C LYS A 423 -7.763 -4.632 -6.440 1.00 0.00 C ATOM 629 O LYS A 423 -8.127 -5.798 -6.584 1.00 0.00 O ATOM 630 CB LYS A 423 -5.440 -3.947 -7.037 1.00 0.00 C ATOM 631 CG LYS A 423 -4.860 -5.331 -6.809 1.00 0.00 C ATOM 632 CD LYS A 423 -3.429 -5.253 -6.309 1.00 0.00 C ATOM 633 CE LYS A 423 -2.877 -6.633 -6.007 1.00 0.00 C ATOM 634 NZ LYS A 423 -1.475 -6.579 -5.517 1.00 0.00 N ATOM 0 H LYS A 423 -6.810 -1.871 -7.260 1.00 0.00 H new ATOM 0 HA LYS A 423 -6.969 -4.503 -8.428 1.00 0.00 H new ATOM 0 HB2 LYS A 423 -4.838 -3.431 -7.785 1.00 0.00 H new ATOM 0 HB3 LYS A 423 -5.360 -3.374 -6.113 1.00 0.00 H new ATOM 0 HG2 LYS A 423 -5.472 -5.869 -6.085 1.00 0.00 H new ATOM 0 HG3 LYS A 423 -4.892 -5.899 -7.739 1.00 0.00 H new ATOM 0 HD2 LYS A 423 -2.805 -4.765 -7.058 1.00 0.00 H new ATOM 0 HD3 LYS A 423 -3.388 -4.638 -5.410 1.00 0.00 H new ATOM 0 HE2 LYS A 423 -3.504 -7.118 -5.259 1.00 0.00 H new ATOM 0 HE3 LYS A 423 -2.923 -7.246 -6.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 -1.233 -7.480 -5.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 -0.833 -6.416 -6.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 -1.376 -5.803 -4.832 1.00 0.00 H new ATOM 648 N ALA A 424 -8.058 -3.903 -5.369 1.00 0.00 N ATOM 649 CA ALA A 424 -8.843 -4.443 -4.265 1.00 0.00 C ATOM 650 C ALA A 424 -10.228 -4.871 -4.733 1.00 0.00 C ATOM 651 O ALA A 424 -10.577 -6.049 -4.644 1.00 0.00 O ATOM 652 CB ALA A 424 -8.954 -3.421 -3.141 1.00 0.00 C ATOM 0 H ALA A 424 -7.764 -2.934 -5.242 1.00 0.00 H new ATOM 0 HA ALA A 424 -8.328 -5.326 -3.886 1.00 0.00 H new ATOM 0 HB1 ALA A 424 -9.543 -3.840 -2.325 1.00 0.00 H new ATOM 0 HB2 ALA A 424 -7.957 -3.170 -2.778 1.00 0.00 H new ATOM 0 HB3 ALA A 424 -9.441 -2.520 -3.515 1.00 0.00 H new