USER MOD reduce.3.24.130724 H: found=0, std=0, add=304, rem=0, adj=14 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 Single : A 384 SER OG : rot 180:sc= 0 USER MOD Single : A 390 ASN :FLIP amide:sc= -0.224 F(o=-2!,f=-0.22) USER MOD Single : A 391 LYS NZ :NH3+ 167:sc= -0.0184 (180deg=-0.203) USER MOD Single : A 393 THR OG1 : rot 180:sc= 0 USER MOD Single : A 397 LYS NZ :NH3+ -179:sc= 1.14 (180deg=1.01) USER MOD Single : A 399 SER OG : rot -80:sc= 1.03 USER MOD Single : A 402 LYS NZ :NH3+ -163:sc= -0.0201 (180deg=-0.235) USER MOD Single : A 405 SER OG : rot 180:sc= 0 USER MOD Single : A 407 HIS : no HE2:sc= -0.162 K(o=-0.16,f=-1.9) USER MOD Single : A 408 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 411 LYS NZ :NH3+ 172:sc=-0.000184 (180deg=-0.114) USER MOD Single : A 415 LYS NZ :NH3+ -120:sc= 1.23 (180deg=-0.4) USER MOD Single : A 416 ASN : amide:sc= 0.0307 X(o=0.031,f=-0.26) USER MOD Single : A 418 GLN : amide:sc= 0.242 X(o=0.24,f=-0.093) USER MOD Single : A 420 ASN : amide:sc= -5.64! C(o=-5.6!,f=-7.9!) USER MOD Single : A 421 SER OG : rot 8:sc= 0.957 USER MOD Single : A 422 THR OG1 : rot 180:sc= 0 USER MOD Single : A 423 LYS NZ :NH3+ -164:sc= -0.0596 (180deg=-0.398) USER MOD ----------------------------------------------------------------- ATOM 32 N SER A 384 -6.069 11.485 0.741 1.00 0.00 N ATOM 33 CA SER A 384 -5.992 10.699 -0.495 1.00 0.00 C ATOM 34 C SER A 384 -5.605 9.244 -0.219 1.00 0.00 C ATOM 35 O SER A 384 -4.667 8.961 0.531 1.00 0.00 O ATOM 36 CB SER A 384 -5.008 11.329 -1.494 1.00 0.00 C ATOM 37 OG SER A 384 -4.848 10.515 -2.646 1.00 0.00 O ATOM 0 HA SER A 384 -6.988 10.705 -0.937 1.00 0.00 H new ATOM 0 HB2 SER A 384 -5.368 12.314 -1.790 1.00 0.00 H new ATOM 0 HB3 SER A 384 -4.041 11.475 -1.012 1.00 0.00 H new ATOM 0 HG SER A 384 -4.218 10.942 -3.263 1.00 0.00 H new ATOM 43 N PRO A 385 -6.303 8.297 -0.872 1.00 0.00 N ATOM 44 CA PRO A 385 -6.018 6.865 -0.740 1.00 0.00 C ATOM 45 C PRO A 385 -4.609 6.519 -1.210 1.00 0.00 C ATOM 46 O PRO A 385 -3.944 5.646 -0.650 1.00 0.00 O ATOM 47 CB PRO A 385 -7.064 6.199 -1.639 1.00 0.00 C ATOM 48 CG PRO A 385 -7.491 7.264 -2.588 1.00 0.00 C ATOM 49 CD PRO A 385 -7.396 8.553 -1.825 1.00 0.00 C ATOM 0 HA PRO A 385 -6.067 6.533 0.297 1.00 0.00 H new ATOM 0 HB2 PRO A 385 -6.643 5.344 -2.168 1.00 0.00 H new ATOM 0 HB3 PRO A 385 -7.907 5.829 -1.056 1.00 0.00 H new ATOM 0 HG2 PRO A 385 -6.850 7.283 -3.469 1.00 0.00 H new ATOM 0 HG3 PRO A 385 -8.509 7.091 -2.938 1.00 0.00 H new ATOM 0 HD2 PRO A 385 -7.170 9.394 -2.481 1.00 0.00 H new ATOM 0 HD3 PRO A 385 -8.329 8.789 -1.314 1.00 0.00 H new ATOM 57 N GLU A 386 -4.142 7.249 -2.218 1.00 0.00 N ATOM 58 CA GLU A 386 -2.806 7.054 -2.752 1.00 0.00 C ATOM 59 C GLU A 386 -1.754 7.327 -1.683 1.00 0.00 C ATOM 60 O GLU A 386 -0.779 6.585 -1.549 1.00 0.00 O ATOM 61 CB GLU A 386 -2.585 7.971 -3.959 1.00 0.00 C ATOM 62 CG GLU A 386 -1.199 7.853 -4.572 1.00 0.00 C ATOM 63 CD GLU A 386 -1.030 8.692 -5.822 1.00 0.00 C ATOM 64 OE1 GLU A 386 -2.003 9.359 -6.240 1.00 0.00 O ATOM 65 OE2 GLU A 386 0.076 8.678 -6.402 1.00 0.00 O ATOM 0 H GLU A 386 -4.676 7.984 -2.681 1.00 0.00 H new ATOM 0 HA GLU A 386 -2.708 6.017 -3.072 1.00 0.00 H new ATOM 0 HB2 GLU A 386 -3.330 7.740 -4.720 1.00 0.00 H new ATOM 0 HB3 GLU A 386 -2.751 9.004 -3.654 1.00 0.00 H new ATOM 0 HG2 GLU A 386 -0.455 8.155 -3.835 1.00 0.00 H new ATOM 0 HG3 GLU A 386 -1.002 6.808 -4.813 1.00 0.00 H new ATOM 72 N ALA A 387 -1.954 8.399 -0.935 1.00 0.00 N ATOM 73 CA ALA A 387 -1.006 8.806 0.082 1.00 0.00 C ATOM 74 C ALA A 387 -1.155 7.994 1.365 1.00 0.00 C ATOM 75 O ALA A 387 -0.170 7.784 2.075 1.00 0.00 O ATOM 76 CB ALA A 387 -1.140 10.291 0.372 1.00 0.00 C ATOM 0 H ALA A 387 -2.771 9.005 -1.016 1.00 0.00 H new ATOM 0 HA ALA A 387 -0.008 8.611 -0.310 1.00 0.00 H new ATOM 0 HB1 ALA A 387 -0.420 10.578 1.138 1.00 0.00 H new ATOM 0 HB2 ALA A 387 -0.947 10.858 -0.538 1.00 0.00 H new ATOM 0 HB3 ALA A 387 -2.149 10.503 0.725 1.00 0.00 H new ATOM 82 N GLU A 388 -2.392 7.636 1.721 1.00 0.00 N ATOM 83 CA GLU A 388 -2.643 6.965 2.997 1.00 0.00 C ATOM 84 C GLU A 388 -1.890 5.640 3.080 1.00 0.00 C ATOM 85 O GLU A 388 -1.166 5.401 4.044 1.00 0.00 O ATOM 86 CB GLU A 388 -4.149 6.768 3.253 1.00 0.00 C ATOM 87 CG GLU A 388 -4.826 5.705 2.402 1.00 0.00 C ATOM 88 CD GLU A 388 -6.293 5.537 2.752 1.00 0.00 C ATOM 89 OE1 GLU A 388 -6.600 5.222 3.925 1.00 0.00 O ATOM 90 OE2 GLU A 388 -7.153 5.726 1.865 1.00 0.00 O ATOM 0 H GLU A 388 -3.223 7.797 1.152 1.00 0.00 H new ATOM 0 HA GLU A 388 -2.264 7.616 3.785 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -4.290 6.512 4.303 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -4.655 7.719 3.086 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -4.734 5.972 1.349 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -4.311 4.753 2.535 1.00 0.00 H new ATOM 97 N CYS A 389 -1.976 4.831 2.028 1.00 0.00 N ATOM 98 CA CYS A 389 -1.234 3.578 1.960 1.00 0.00 C ATOM 99 C CYS A 389 0.272 3.834 1.992 1.00 0.00 C ATOM 100 O CYS A 389 1.027 3.055 2.562 1.00 0.00 O ATOM 101 CB CYS A 389 -1.593 2.824 0.681 1.00 0.00 C ATOM 102 SG CYS A 389 -3.361 2.422 0.514 1.00 0.00 S ATOM 0 H CYS A 389 -2.554 5.022 1.210 1.00 0.00 H new ATOM 0 HA CYS A 389 -1.506 2.977 2.827 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -1.287 3.423 -0.177 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -1.018 1.899 0.646 1.00 0.00 H new ATOM 107 N ASN A 390 0.700 4.926 1.367 1.00 0.00 N ATOM 108 CA ASN A 390 2.125 5.262 1.279 1.00 0.00 C ATOM 109 C ASN A 390 2.773 5.442 2.652 1.00 0.00 C ATOM 110 O ASN A 390 3.999 5.394 2.774 1.00 0.00 O ATOM 111 CB ASN A 390 2.327 6.523 0.442 1.00 0.00 C ATOM 112 CG ASN A 390 2.259 6.259 -1.052 1.00 0.00 C ATOM 113 OD1 ASN A 390 2.261 4.995 -1.444 1.00 0.00 O flip ATOM 114 ND2 ASN A 390 2.225 7.189 -1.852 1.00 0.00 N flip ATOM 0 H ASN A 390 0.082 5.598 0.911 1.00 0.00 H new ATOM 0 HA ASN A 390 2.616 4.418 0.795 1.00 0.00 H new ATOM 0 HB2 ASN A 390 1.567 7.257 0.711 1.00 0.00 H new ATOM 0 HB3 ASN A 390 3.295 6.963 0.684 1.00 0.00 H new ATOM 0 HD21 ASN A 390 2.225 8.152 -1.515 1.00 0.00 H new ATOM 0 HD22 ASN A 390 2.197 6.999 -2.854 1.00 0.00 H new ATOM 121 N LYS A 391 1.962 5.687 3.669 1.00 0.00 N ATOM 122 CA LYS A 391 2.473 5.884 5.023 1.00 0.00 C ATOM 123 C LYS A 391 2.978 4.568 5.616 1.00 0.00 C ATOM 124 O LYS A 391 3.939 4.548 6.387 1.00 0.00 O ATOM 125 CB LYS A 391 1.380 6.470 5.914 1.00 0.00 C ATOM 126 CG LYS A 391 0.791 7.764 5.377 1.00 0.00 C ATOM 127 CD LYS A 391 -0.304 8.303 6.281 1.00 0.00 C ATOM 128 CE LYS A 391 0.233 8.653 7.659 1.00 0.00 C ATOM 129 NZ LYS A 391 1.274 9.716 7.602 1.00 0.00 N ATOM 0 H LYS A 391 0.948 5.755 3.586 1.00 0.00 H new ATOM 0 HA LYS A 391 3.310 6.580 4.973 1.00 0.00 H new ATOM 0 HB2 LYS A 391 0.582 5.736 6.027 1.00 0.00 H new ATOM 0 HB3 LYS A 391 1.790 6.651 6.908 1.00 0.00 H new ATOM 0 HG2 LYS A 391 1.580 8.509 5.278 1.00 0.00 H new ATOM 0 HG3 LYS A 391 0.387 7.593 4.379 1.00 0.00 H new ATOM 0 HD2 LYS A 391 -0.749 9.189 5.827 1.00 0.00 H new ATOM 0 HD3 LYS A 391 -1.097 7.561 6.376 1.00 0.00 H new ATOM 0 HE2 LYS A 391 -0.588 8.985 8.294 1.00 0.00 H new ATOM 0 HE3 LYS A 391 0.653 7.760 8.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 391 1.453 10.078 8.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 391 2.153 9.321 7.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 391 0.944 10.493 6.995 1.00 0.00 H new ATOM 143 N ILE A 392 2.281 3.489 5.289 1.00 0.00 N ATOM 144 CA ILE A 392 2.579 2.160 5.811 1.00 0.00 C ATOM 145 C ILE A 392 3.943 1.669 5.307 1.00 0.00 C ATOM 146 O ILE A 392 4.278 1.837 4.134 1.00 0.00 O ATOM 147 CB ILE A 392 1.481 1.137 5.396 1.00 0.00 C ATOM 148 CG1 ILE A 392 0.097 1.499 5.974 1.00 0.00 C ATOM 149 CG2 ILE A 392 1.864 -0.269 5.842 1.00 0.00 C ATOM 150 CD1 ILE A 392 -0.505 2.789 5.468 1.00 0.00 C ATOM 0 H ILE A 392 1.487 3.510 4.649 1.00 0.00 H new ATOM 0 HA ILE A 392 2.603 2.235 6.898 1.00 0.00 H new ATOM 0 HB ILE A 392 1.412 1.173 4.309 1.00 0.00 H new ATOM 0 HG12 ILE A 392 -0.593 0.685 5.752 1.00 0.00 H new ATOM 0 HG13 ILE A 392 0.181 1.559 7.059 1.00 0.00 H new ATOM 0 HG21 ILE A 392 1.085 -0.970 5.543 1.00 0.00 H new ATOM 0 HG22 ILE A 392 2.807 -0.554 5.376 1.00 0.00 H new ATOM 0 HG23 ILE A 392 1.974 -0.289 6.926 1.00 0.00 H new ATOM 0 HD11 ILE A 392 -1.476 2.946 5.938 1.00 0.00 H new ATOM 0 HD12 ILE A 392 0.156 3.620 5.714 1.00 0.00 H new ATOM 0 HD13 ILE A 392 -0.630 2.733 4.387 1.00 0.00 H new ATOM 162 N THR A 393 4.731 1.073 6.198 1.00 0.00 N ATOM 163 CA THR A 393 6.060 0.590 5.841 1.00 0.00 C ATOM 164 C THR A 393 6.241 -0.884 6.209 1.00 0.00 C ATOM 165 O THR A 393 7.356 -1.335 6.489 1.00 0.00 O ATOM 166 CB THR A 393 7.149 1.425 6.543 1.00 0.00 C ATOM 167 OG1 THR A 393 6.863 1.523 7.947 1.00 0.00 O ATOM 168 CG2 THR A 393 7.236 2.819 5.940 1.00 0.00 C ATOM 0 H THR A 393 4.472 0.913 7.171 1.00 0.00 H new ATOM 0 HA THR A 393 6.159 0.694 4.761 1.00 0.00 H new ATOM 0 HB THR A 393 8.107 0.925 6.401 1.00 0.00 H new ATOM 0 HG1 THR A 393 7.560 2.053 8.387 1.00 0.00 H new ATOM 0 HG21 THR A 393 8.011 3.389 6.452 1.00 0.00 H new ATOM 0 HG22 THR A 393 7.481 2.743 4.881 1.00 0.00 H new ATOM 0 HG23 THR A 393 6.278 3.326 6.055 1.00 0.00 H new ATOM 176 N GLU A 394 5.150 -1.642 6.171 1.00 0.00 N ATOM 177 CA GLU A 394 5.187 -3.062 6.516 1.00 0.00 C ATOM 178 C GLU A 394 4.223 -3.861 5.650 1.00 0.00 C ATOM 179 O GLU A 394 3.059 -3.490 5.513 1.00 0.00 O ATOM 180 CB GLU A 394 4.809 -3.257 7.983 1.00 0.00 C ATOM 181 CG GLU A 394 5.899 -2.878 8.968 1.00 0.00 C ATOM 182 CD GLU A 394 5.398 -2.884 10.393 1.00 0.00 C ATOM 183 OE1 GLU A 394 4.738 -1.905 10.797 1.00 0.00 O ATOM 184 OE2 GLU A 394 5.606 -3.892 11.098 1.00 0.00 O ATOM 0 H GLU A 394 4.227 -1.298 5.905 1.00 0.00 H new ATOM 0 HA GLU A 394 6.202 -3.419 6.342 1.00 0.00 H new ATOM 0 HB2 GLU A 394 3.920 -2.664 8.198 1.00 0.00 H new ATOM 0 HB3 GLU A 394 4.541 -4.302 8.141 1.00 0.00 H new ATOM 0 HG2 GLU A 394 6.732 -3.575 8.873 1.00 0.00 H new ATOM 0 HG3 GLU A 394 6.282 -1.888 8.722 1.00 0.00 H new ATOM 191 N GLU A 395 4.706 -4.965 5.088 1.00 0.00 N ATOM 192 CA GLU A 395 3.888 -5.838 4.256 1.00 0.00 C ATOM 193 C GLU A 395 2.688 -6.396 5.033 1.00 0.00 C ATOM 194 O GLU A 395 1.560 -6.280 4.562 1.00 0.00 O ATOM 195 CB GLU A 395 4.746 -6.978 3.682 1.00 0.00 C ATOM 196 CG GLU A 395 4.085 -7.777 2.564 1.00 0.00 C ATOM 197 CD GLU A 395 3.115 -8.828 3.062 1.00 0.00 C ATOM 198 OE1 GLU A 395 3.524 -9.677 3.882 1.00 0.00 O ATOM 199 OE2 GLU A 395 1.948 -8.826 2.621 1.00 0.00 O ATOM 0 H GLU A 395 5.671 -5.278 5.196 1.00 0.00 H new ATOM 0 HA GLU A 395 3.493 -5.245 3.431 1.00 0.00 H new ATOM 0 HB2 GLU A 395 5.679 -6.558 3.306 1.00 0.00 H new ATOM 0 HB3 GLU A 395 5.007 -7.660 4.491 1.00 0.00 H new ATOM 0 HG2 GLU A 395 3.556 -7.091 1.902 1.00 0.00 H new ATOM 0 HG3 GLU A 395 4.859 -8.262 1.969 1.00 0.00 H new ATOM 206 N PRO A 396 2.892 -7.008 6.230 1.00 0.00 N ATOM 207 CA PRO A 396 1.785 -7.579 7.010 1.00 0.00 C ATOM 208 C PRO A 396 0.680 -6.565 7.273 1.00 0.00 C ATOM 209 O PRO A 396 -0.496 -6.849 7.061 1.00 0.00 O ATOM 210 CB PRO A 396 2.443 -8.007 8.321 1.00 0.00 C ATOM 211 CG PRO A 396 3.872 -8.223 7.972 1.00 0.00 C ATOM 212 CD PRO A 396 4.190 -7.216 6.906 1.00 0.00 C ATOM 0 HA PRO A 396 1.300 -8.399 6.481 1.00 0.00 H new ATOM 0 HB2 PRO A 396 2.334 -7.240 9.088 1.00 0.00 H new ATOM 0 HB3 PRO A 396 1.989 -8.917 8.714 1.00 0.00 H new ATOM 0 HG2 PRO A 396 4.512 -8.085 8.843 1.00 0.00 H new ATOM 0 HG3 PRO A 396 4.037 -9.239 7.612 1.00 0.00 H new ATOM 0 HD2 PRO A 396 4.574 -6.289 7.331 1.00 0.00 H new ATOM 0 HD3 PRO A 396 4.947 -7.588 6.216 1.00 0.00 H new ATOM 220 N LYS A 397 1.065 -5.356 7.659 1.00 0.00 N ATOM 221 CA LYS A 397 0.099 -4.288 7.871 1.00 0.00 C ATOM 222 C LYS A 397 -0.527 -3.845 6.550 1.00 0.00 C ATOM 223 O LYS A 397 -1.745 -3.719 6.449 1.00 0.00 O ATOM 224 CB LYS A 397 0.749 -3.083 8.557 1.00 0.00 C ATOM 225 CG LYS A 397 1.054 -3.295 10.032 1.00 0.00 C ATOM 226 CD LYS A 397 1.431 -1.983 10.708 1.00 0.00 C ATOM 227 CE LYS A 397 1.650 -2.152 12.205 1.00 0.00 C ATOM 228 NZ LYS A 397 2.883 -2.922 12.513 1.00 0.00 N ATOM 0 H LYS A 397 2.035 -5.092 7.831 1.00 0.00 H new ATOM 0 HA LYS A 397 -0.683 -4.684 8.519 1.00 0.00 H new ATOM 0 HB2 LYS A 397 1.676 -2.839 8.037 1.00 0.00 H new ATOM 0 HB3 LYS A 397 0.090 -2.221 8.454 1.00 0.00 H new ATOM 0 HG2 LYS A 397 0.185 -3.727 10.528 1.00 0.00 H new ATOM 0 HG3 LYS A 397 1.870 -4.010 10.139 1.00 0.00 H new ATOM 0 HD2 LYS A 397 2.339 -1.588 10.252 1.00 0.00 H new ATOM 0 HD3 LYS A 397 0.644 -1.249 10.538 1.00 0.00 H new ATOM 0 HE2 LYS A 397 1.711 -1.170 12.674 1.00 0.00 H new ATOM 0 HE3 LYS A 397 0.789 -2.660 12.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 397 2.980 -3.025 13.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 397 2.823 -3.863 12.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 397 3.711 -2.417 12.136 1.00 0.00 H new ATOM 242 N CYS A 398 0.320 -3.569 5.561 1.00 0.00 N ATOM 243 CA CYS A 398 -0.127 -3.036 4.271 1.00 0.00 C ATOM 244 C CYS A 398 -1.099 -3.972 3.567 1.00 0.00 C ATOM 245 O CYS A 398 -2.068 -3.525 2.957 1.00 0.00 O ATOM 246 CB CYS A 398 1.073 -2.779 3.361 1.00 0.00 C ATOM 247 SG CYS A 398 0.659 -1.943 1.797 1.00 0.00 S ATOM 0 H CYS A 398 1.329 -3.706 5.627 1.00 0.00 H new ATOM 0 HA CYS A 398 -0.648 -2.101 4.476 1.00 0.00 H new ATOM 0 HB2 CYS A 398 1.801 -2.174 3.901 1.00 0.00 H new ATOM 0 HB3 CYS A 398 1.554 -3.731 3.135 1.00 0.00 H new ATOM 252 N SER A 399 -0.810 -5.261 3.608 1.00 0.00 N ATOM 253 CA SER A 399 -1.637 -6.245 2.934 1.00 0.00 C ATOM 254 C SER A 399 -3.041 -6.284 3.539 1.00 0.00 C ATOM 255 O SER A 399 -4.033 -6.449 2.823 1.00 0.00 O ATOM 256 CB SER A 399 -0.966 -7.617 3.003 1.00 0.00 C ATOM 257 OG SER A 399 -0.634 -7.955 4.337 1.00 0.00 O ATOM 0 H SER A 399 -0.007 -5.651 4.102 1.00 0.00 H new ATOM 0 HA SER A 399 -1.742 -5.962 1.887 1.00 0.00 H new ATOM 0 HB2 SER A 399 -1.633 -8.373 2.588 1.00 0.00 H new ATOM 0 HB3 SER A 399 -0.065 -7.616 2.390 1.00 0.00 H new ATOM 0 HG SER A 399 0.200 -7.506 4.590 1.00 0.00 H new ATOM 263 N GLU A 400 -3.121 -6.079 4.847 1.00 0.00 N ATOM 264 CA GLU A 400 -4.402 -6.033 5.538 1.00 0.00 C ATOM 265 C GLU A 400 -5.103 -4.699 5.294 1.00 0.00 C ATOM 266 O GLU A 400 -6.331 -4.628 5.296 1.00 0.00 O ATOM 267 CB GLU A 400 -4.208 -6.257 7.035 1.00 0.00 C ATOM 268 CG GLU A 400 -3.577 -7.600 7.364 1.00 0.00 C ATOM 269 CD GLU A 400 -3.418 -7.828 8.850 1.00 0.00 C ATOM 270 OE1 GLU A 400 -3.845 -6.965 9.644 1.00 0.00 O ATOM 271 OE2 GLU A 400 -2.871 -8.883 9.236 1.00 0.00 O ATOM 0 H GLU A 400 -2.311 -5.942 5.452 1.00 0.00 H new ATOM 0 HA GLU A 400 -5.030 -6.830 5.141 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -3.581 -5.461 7.436 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -5.174 -6.185 7.535 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -4.190 -8.397 6.943 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -2.600 -7.663 6.885 1.00 0.00 H new ATOM 278 N GLU A 401 -4.310 -3.645 5.104 1.00 0.00 N ATOM 279 CA GLU A 401 -4.836 -2.301 4.868 1.00 0.00 C ATOM 280 C GLU A 401 -5.842 -2.285 3.727 1.00 0.00 C ATOM 281 O GLU A 401 -5.651 -2.938 2.698 1.00 0.00 O ATOM 282 CB GLU A 401 -3.711 -1.317 4.552 1.00 0.00 C ATOM 283 CG GLU A 401 -2.812 -0.989 5.727 1.00 0.00 C ATOM 284 CD GLU A 401 -3.546 -0.314 6.870 1.00 0.00 C ATOM 285 OE1 GLU A 401 -4.382 -0.969 7.529 1.00 0.00 O ATOM 286 OE2 GLU A 401 -3.289 0.883 7.114 1.00 0.00 O ATOM 0 H GLU A 401 -3.291 -3.698 5.109 1.00 0.00 H new ATOM 0 HA GLU A 401 -5.338 -1.996 5.786 1.00 0.00 H new ATOM 0 HB2 GLU A 401 -3.101 -1.729 3.748 1.00 0.00 H new ATOM 0 HB3 GLU A 401 -4.149 -0.392 4.177 1.00 0.00 H new ATOM 0 HG2 GLU A 401 -2.351 -1.907 6.091 1.00 0.00 H new ATOM 0 HG3 GLU A 401 -2.004 -0.340 5.388 1.00 0.00 H new ATOM 293 N LYS A 402 -6.900 -1.517 3.916 1.00 0.00 N ATOM 294 CA LYS A 402 -7.948 -1.383 2.922 1.00 0.00 C ATOM 295 C LYS A 402 -7.403 -0.721 1.664 1.00 0.00 C ATOM 296 O LYS A 402 -6.956 0.425 1.708 1.00 0.00 O ATOM 297 CB LYS A 402 -9.116 -0.546 3.470 1.00 0.00 C ATOM 298 CG LYS A 402 -9.787 -1.104 4.724 1.00 0.00 C ATOM 299 CD LYS A 402 -8.920 -0.929 5.964 1.00 0.00 C ATOM 300 CE LYS A 402 -9.696 -1.206 7.239 1.00 0.00 C ATOM 301 NZ LYS A 402 -10.728 -0.168 7.492 1.00 0.00 N ATOM 0 H LYS A 402 -7.056 -0.969 4.762 1.00 0.00 H new ATOM 0 HA LYS A 402 -8.310 -2.382 2.679 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -8.751 0.457 3.689 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -9.869 -0.448 2.688 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -10.743 -0.603 4.877 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -10.002 -2.163 4.579 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -8.064 -1.601 5.906 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -8.526 0.087 5.992 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -10.173 -2.184 7.169 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -9.007 -1.247 8.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -11.034 -0.218 8.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -10.329 0.773 7.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -11.545 -0.331 6.869 1.00 0.00 H new ATOM 315 N ILE A 403 -7.500 -1.440 0.549 1.00 0.00 N ATOM 316 CA ILE A 403 -7.105 -0.944 -0.772 1.00 0.00 C ATOM 317 C ILE A 403 -5.626 -0.473 -0.792 1.00 0.00 C ATOM 318 O ILE A 403 -5.227 0.402 -1.563 1.00 0.00 O ATOM 319 CB ILE A 403 -8.115 0.148 -1.271 1.00 0.00 C ATOM 320 CG1 ILE A 403 -8.401 0.004 -2.780 1.00 0.00 C ATOM 321 CG2 ILE A 403 -7.678 1.572 -0.938 1.00 0.00 C ATOM 322 CD1 ILE A 403 -7.173 -0.042 -3.656 1.00 0.00 C ATOM 0 H ILE A 403 -7.859 -2.395 0.534 1.00 0.00 H new ATOM 0 HA ILE A 403 -7.154 -1.768 -1.484 1.00 0.00 H new ATOM 0 HB ILE A 403 -9.040 -0.030 -0.722 1.00 0.00 H new ATOM 0 HG12 ILE A 403 -8.979 -0.906 -2.941 1.00 0.00 H new ATOM 0 HG13 ILE A 403 -9.026 0.839 -3.098 1.00 0.00 H new ATOM 0 HG21 ILE A 403 -8.421 2.277 -1.311 1.00 0.00 H new ATOM 0 HG22 ILE A 403 -7.585 1.681 0.143 1.00 0.00 H new ATOM 0 HG23 ILE A 403 -6.716 1.776 -1.407 1.00 0.00 H new ATOM 0 HD11 ILE A 403 -7.474 -0.144 -4.699 1.00 0.00 H new ATOM 0 HD12 ILE A 403 -6.603 0.878 -3.531 1.00 0.00 H new ATOM 0 HD13 ILE A 403 -6.555 -0.893 -3.371 1.00 0.00 H new ATOM 334 N CYS A 404 -4.777 -1.207 -0.089 1.00 0.00 N ATOM 335 CA CYS A 404 -3.343 -0.975 -0.173 1.00 0.00 C ATOM 336 C CYS A 404 -2.629 -2.255 -0.601 1.00 0.00 C ATOM 337 O CYS A 404 -3.002 -3.355 -0.182 1.00 0.00 O ATOM 338 CB CYS A 404 -2.790 -0.496 1.172 1.00 0.00 C ATOM 339 SG CYS A 404 -3.647 0.953 1.882 1.00 0.00 S ATOM 0 H CYS A 404 -5.052 -1.961 0.540 1.00 0.00 H new ATOM 0 HA CYS A 404 -3.165 -0.198 -0.917 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -2.846 -1.318 1.885 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -1.735 -0.252 1.049 1.00 0.00 H new ATOM 344 N SER A 405 -1.642 -2.118 -1.475 1.00 0.00 N ATOM 345 CA SER A 405 -0.888 -3.262 -1.964 1.00 0.00 C ATOM 346 C SER A 405 0.599 -3.043 -1.730 1.00 0.00 C ATOM 347 O SER A 405 1.083 -1.906 -1.762 1.00 0.00 O ATOM 348 CB SER A 405 -1.168 -3.495 -3.452 1.00 0.00 C ATOM 349 OG SER A 405 -0.494 -4.649 -3.933 1.00 0.00 O ATOM 0 H SER A 405 -1.344 -1.222 -1.861 1.00 0.00 H new ATOM 0 HA SER A 405 -1.203 -4.149 -1.415 1.00 0.00 H new ATOM 0 HB2 SER A 405 -2.241 -3.607 -3.608 1.00 0.00 H new ATOM 0 HB3 SER A 405 -0.852 -2.623 -4.024 1.00 0.00 H new ATOM 0 HG SER A 405 -0.694 -4.772 -4.885 1.00 0.00 H new ATOM 355 N TRP A 406 1.305 -4.114 -1.411 1.00 0.00 N ATOM 356 CA TRP A 406 2.712 -4.017 -1.088 1.00 0.00 C ATOM 357 C TRP A 406 3.573 -4.042 -2.344 1.00 0.00 C ATOM 358 O TRP A 406 3.523 -4.981 -3.139 1.00 0.00 O ATOM 359 CB TRP A 406 3.123 -5.146 -0.148 1.00 0.00 C ATOM 360 CG TRP A 406 4.497 -4.978 0.417 1.00 0.00 C ATOM 361 CD1 TRP A 406 5.583 -5.763 0.169 1.00 0.00 C ATOM 362 CD2 TRP A 406 4.929 -3.975 1.340 1.00 0.00 C ATOM 363 NE1 TRP A 406 6.664 -5.310 0.874 1.00 0.00 N ATOM 364 CE2 TRP A 406 6.292 -4.214 1.606 1.00 0.00 C ATOM 365 CE3 TRP A 406 4.302 -2.898 1.970 1.00 0.00 C ATOM 366 CZ2 TRP A 406 7.030 -3.418 2.474 1.00 0.00 C ATOM 367 CZ3 TRP A 406 5.038 -2.109 2.830 1.00 0.00 C ATOM 368 CH2 TRP A 406 6.390 -2.371 3.076 1.00 0.00 C ATOM 0 H TRP A 406 0.924 -5.059 -1.370 1.00 0.00 H new ATOM 0 HA TRP A 406 2.872 -3.062 -0.587 1.00 0.00 H new ATOM 0 HB2 TRP A 406 2.406 -5.206 0.671 1.00 0.00 H new ATOM 0 HB3 TRP A 406 3.073 -6.093 -0.686 1.00 0.00 H new ATOM 0 HD1 TRP A 406 5.589 -6.619 -0.489 1.00 0.00 H new ATOM 0 HE1 TRP A 406 7.597 -5.722 0.857 1.00 0.00 H new ATOM 0 HE3 TRP A 406 3.259 -2.686 1.787 1.00 0.00 H new ATOM 0 HZ2 TRP A 406 8.073 -3.620 2.666 1.00 0.00 H new ATOM 0 HZ3 TRP A 406 4.562 -1.274 3.322 1.00 0.00 H new ATOM 0 HH2 TRP A 406 6.938 -1.734 3.754 1.00 0.00 H new ATOM 379 N HIS A 407 4.396 -3.023 -2.465 1.00 0.00 N ATOM 380 CA HIS A 407 5.357 -2.881 -3.545 1.00 0.00 C ATOM 381 C HIS A 407 6.719 -3.321 -3.025 1.00 0.00 C ATOM 382 O HIS A 407 7.429 -2.527 -2.414 1.00 0.00 O ATOM 383 CB HIS A 407 5.394 -1.408 -3.964 1.00 0.00 C ATOM 384 CG HIS A 407 5.844 -1.131 -5.356 1.00 0.00 C ATOM 385 ND1 HIS A 407 7.054 -1.534 -5.855 1.00 0.00 N ATOM 386 CD2 HIS A 407 5.251 -0.412 -6.337 1.00 0.00 C ATOM 387 CE1 HIS A 407 7.195 -1.073 -7.077 1.00 0.00 C ATOM 388 NE2 HIS A 407 6.114 -0.391 -7.399 1.00 0.00 N ATOM 0 H HIS A 407 4.418 -2.250 -1.800 1.00 0.00 H new ATOM 0 HA HIS A 407 5.084 -3.491 -4.406 1.00 0.00 H new ATOM 0 HB2 HIS A 407 4.395 -0.991 -3.838 1.00 0.00 H new ATOM 0 HB3 HIS A 407 6.052 -0.873 -3.279 1.00 0.00 H new ATOM 0 HD1 HIS A 407 7.738 -2.103 -5.356 1.00 0.00 H new ATOM 0 HD2 HIS A 407 4.279 0.057 -6.291 1.00 0.00 H new ATOM 0 HE1 HIS A 407 8.054 -1.227 -7.713 1.00 0.00 H new ATOM 397 N LYS A 408 6.966 -4.624 -3.077 1.00 0.00 N ATOM 398 CA LYS A 408 8.129 -5.234 -2.423 1.00 0.00 C ATOM 399 C LYS A 408 9.435 -4.505 -2.744 1.00 0.00 C ATOM 400 O LYS A 408 10.230 -4.220 -1.850 1.00 0.00 O ATOM 401 CB LYS A 408 8.249 -6.699 -2.844 1.00 0.00 C ATOM 402 CG LYS A 408 6.983 -7.507 -2.604 1.00 0.00 C ATOM 403 CD LYS A 408 7.124 -8.935 -3.104 1.00 0.00 C ATOM 404 CE LYS A 408 5.817 -9.701 -2.964 1.00 0.00 C ATOM 405 NZ LYS A 408 5.944 -11.107 -3.430 1.00 0.00 N ATOM 0 H LYS A 408 6.371 -5.290 -3.570 1.00 0.00 H new ATOM 0 HA LYS A 408 7.968 -5.158 -1.348 1.00 0.00 H new ATOM 0 HB2 LYS A 408 8.504 -6.744 -3.903 1.00 0.00 H new ATOM 0 HB3 LYS A 408 9.073 -7.159 -2.298 1.00 0.00 H new ATOM 0 HG2 LYS A 408 6.753 -7.516 -1.538 1.00 0.00 H new ATOM 0 HG3 LYS A 408 6.144 -7.027 -3.107 1.00 0.00 H new ATOM 0 HD2 LYS A 408 7.434 -8.928 -4.149 1.00 0.00 H new ATOM 0 HD3 LYS A 408 7.908 -9.443 -2.543 1.00 0.00 H new ATOM 0 HE2 LYS A 408 5.501 -9.692 -1.921 1.00 0.00 H new ATOM 0 HE3 LYS A 408 5.038 -9.198 -3.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 5.032 -11.594 -3.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 6.221 -11.117 -4.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 6.669 -11.595 -2.866 1.00 0.00 H new ATOM 419 N GLU A 409 9.662 -4.226 -4.017 1.00 0.00 N ATOM 420 CA GLU A 409 10.882 -3.563 -4.448 1.00 0.00 C ATOM 421 C GLU A 409 10.563 -2.199 -5.040 1.00 0.00 C ATOM 422 O GLU A 409 9.714 -2.089 -5.917 1.00 0.00 O ATOM 423 CB GLU A 409 11.597 -4.427 -5.490 1.00 0.00 C ATOM 424 CG GLU A 409 12.866 -3.802 -6.044 1.00 0.00 C ATOM 425 CD GLU A 409 13.996 -3.738 -5.034 1.00 0.00 C ATOM 426 OE1 GLU A 409 13.851 -4.293 -3.925 1.00 0.00 O ATOM 427 OE2 GLU A 409 15.048 -3.149 -5.357 1.00 0.00 O ATOM 0 H GLU A 409 9.015 -4.449 -4.773 1.00 0.00 H new ATOM 0 HA GLU A 409 11.532 -3.425 -3.584 1.00 0.00 H new ATOM 0 HB2 GLU A 409 11.844 -5.389 -5.042 1.00 0.00 H new ATOM 0 HB3 GLU A 409 10.912 -4.626 -6.314 1.00 0.00 H new ATOM 0 HG2 GLU A 409 13.196 -4.374 -6.911 1.00 0.00 H new ATOM 0 HG3 GLU A 409 12.643 -2.794 -6.393 1.00 0.00 H new ATOM 434 N VAL A 410 11.252 -1.165 -4.576 1.00 0.00 N ATOM 435 CA VAL A 410 11.041 0.180 -5.096 1.00 0.00 C ATOM 436 C VAL A 410 12.335 0.758 -5.669 1.00 0.00 C ATOM 437 O VAL A 410 13.390 0.710 -5.036 1.00 0.00 O ATOM 438 CB VAL A 410 10.468 1.130 -4.022 1.00 0.00 C ATOM 439 CG1 VAL A 410 9.046 0.729 -3.667 1.00 0.00 C ATOM 440 CG2 VAL A 410 11.338 1.136 -2.777 1.00 0.00 C ATOM 0 H VAL A 410 11.959 -1.231 -3.844 1.00 0.00 H new ATOM 0 HA VAL A 410 10.307 0.097 -5.898 1.00 0.00 H new ATOM 0 HB VAL A 410 10.459 2.139 -4.434 1.00 0.00 H new ATOM 0 HG11 VAL A 410 8.655 1.408 -2.909 1.00 0.00 H new ATOM 0 HG12 VAL A 410 8.420 0.781 -4.558 1.00 0.00 H new ATOM 0 HG13 VAL A 410 9.041 -0.290 -3.279 1.00 0.00 H new ATOM 0 HG21 VAL A 410 10.911 1.813 -2.038 1.00 0.00 H new ATOM 0 HG22 VAL A 410 11.386 0.129 -2.362 1.00 0.00 H new ATOM 0 HG23 VAL A 410 12.343 1.470 -3.037 1.00 0.00 H new ATOM 450 N LYS A 411 12.258 1.228 -6.908 1.00 0.00 N ATOM 451 CA LYS A 411 13.425 1.730 -7.627 1.00 0.00 C ATOM 452 C LYS A 411 13.716 3.187 -7.268 1.00 0.00 C ATOM 453 O LYS A 411 13.838 4.049 -8.140 1.00 0.00 O ATOM 454 CB LYS A 411 13.200 1.570 -9.133 1.00 0.00 C ATOM 455 CG LYS A 411 14.422 1.834 -10.000 1.00 0.00 C ATOM 456 CD LYS A 411 15.571 0.897 -9.667 1.00 0.00 C ATOM 457 CE LYS A 411 16.703 1.018 -10.675 1.00 0.00 C ATOM 458 NZ LYS A 411 17.201 2.414 -10.802 1.00 0.00 N ATOM 0 H LYS A 411 11.390 1.272 -7.442 1.00 0.00 H new ATOM 0 HA LYS A 411 14.298 1.147 -7.331 1.00 0.00 H new ATOM 0 HB2 LYS A 411 12.849 0.556 -9.326 1.00 0.00 H new ATOM 0 HB3 LYS A 411 12.403 2.248 -9.440 1.00 0.00 H new ATOM 0 HG2 LYS A 411 14.153 1.719 -11.050 1.00 0.00 H new ATOM 0 HG3 LYS A 411 14.746 2.866 -9.865 1.00 0.00 H new ATOM 0 HD2 LYS A 411 15.947 1.122 -8.669 1.00 0.00 H new ATOM 0 HD3 LYS A 411 15.209 -0.131 -9.648 1.00 0.00 H new ATOM 0 HE2 LYS A 411 17.525 0.368 -10.375 1.00 0.00 H new ATOM 0 HE3 LYS A 411 16.359 0.668 -11.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 411 18.056 2.425 -11.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 411 16.467 3.006 -11.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 411 17.429 2.789 -9.859 1.00 0.00 H new ATOM 472 N ALA A 412 13.917 3.412 -5.978 1.00 0.00 N ATOM 473 CA ALA A 412 14.303 4.719 -5.444 1.00 0.00 C ATOM 474 C ALA A 412 13.435 5.851 -5.997 1.00 0.00 C ATOM 475 O ALA A 412 13.908 6.708 -6.749 1.00 0.00 O ATOM 476 CB ALA A 412 15.775 4.970 -5.718 1.00 0.00 C ATOM 0 H ALA A 412 13.817 2.691 -5.264 1.00 0.00 H new ATOM 0 HA ALA A 412 14.138 4.704 -4.367 1.00 0.00 H new ATOM 0 HB1 ALA A 412 16.058 5.944 -5.319 1.00 0.00 H new ATOM 0 HB2 ALA A 412 16.372 4.194 -5.239 1.00 0.00 H new ATOM 0 HB3 ALA A 412 15.953 4.953 -6.793 1.00 0.00 H new ATOM 482 N GLY A 413 12.159 5.833 -5.640 1.00 0.00 N ATOM 483 CA GLY A 413 11.237 6.852 -6.106 1.00 0.00 C ATOM 484 C GLY A 413 9.810 6.539 -5.714 1.00 0.00 C ATOM 485 O GLY A 413 9.009 7.437 -5.452 1.00 0.00 O ATOM 0 H GLY A 413 11.743 5.127 -5.033 1.00 0.00 H new ATOM 0 HA2 GLY A 413 11.524 7.819 -5.692 1.00 0.00 H new ATOM 0 HA3 GLY A 413 11.306 6.936 -7.191 1.00 0.00 H new ATOM 489 N GLU A 414 9.492 5.253 -5.704 1.00 0.00 N ATOM 490 CA GLU A 414 8.159 4.788 -5.355 1.00 0.00 C ATOM 491 C GLU A 414 7.975 4.724 -3.838 1.00 0.00 C ATOM 492 O GLU A 414 8.659 5.414 -3.080 1.00 0.00 O ATOM 493 CB GLU A 414 7.922 3.401 -5.960 1.00 0.00 C ATOM 494 CG GLU A 414 7.836 3.390 -7.474 1.00 0.00 C ATOM 495 CD GLU A 414 6.507 3.901 -7.984 1.00 0.00 C ATOM 496 OE1 GLU A 414 6.106 5.016 -7.595 1.00 0.00 O ATOM 497 OE2 GLU A 414 5.855 3.186 -8.771 1.00 0.00 O ATOM 0 H GLU A 414 10.147 4.506 -5.936 1.00 0.00 H new ATOM 0 HA GLU A 414 7.435 5.496 -5.758 1.00 0.00 H new ATOM 0 HB2 GLU A 414 8.729 2.738 -5.648 1.00 0.00 H new ATOM 0 HB3 GLU A 414 6.998 2.992 -5.552 1.00 0.00 H new ATOM 0 HG2 GLU A 414 8.639 4.003 -7.884 1.00 0.00 H new ATOM 0 HG3 GLU A 414 7.994 2.374 -7.836 1.00 0.00 H new ATOM 504 N LYS A 415 7.104 3.826 -3.412 1.00 0.00 N ATOM 505 CA LYS A 415 6.855 3.576 -2.006 1.00 0.00 C ATOM 506 C LYS A 415 6.323 2.160 -1.875 1.00 0.00 C ATOM 507 O LYS A 415 5.623 1.690 -2.772 1.00 0.00 O ATOM 508 CB LYS A 415 5.847 4.591 -1.445 1.00 0.00 C ATOM 509 CG LYS A 415 5.455 4.339 0.007 1.00 0.00 C ATOM 510 CD LYS A 415 6.641 4.471 0.949 1.00 0.00 C ATOM 511 CE LYS A 415 7.144 5.901 1.034 1.00 0.00 C ATOM 512 NZ LYS A 415 6.182 6.791 1.738 1.00 0.00 N ATOM 0 H LYS A 415 6.546 3.246 -4.039 1.00 0.00 H new ATOM 0 HA LYS A 415 7.776 3.686 -1.434 1.00 0.00 H new ATOM 0 HB2 LYS A 415 6.271 5.592 -1.528 1.00 0.00 H new ATOM 0 HB3 LYS A 415 4.948 4.574 -2.061 1.00 0.00 H new ATOM 0 HG2 LYS A 415 4.679 5.045 0.301 1.00 0.00 H new ATOM 0 HG3 LYS A 415 5.028 3.340 0.099 1.00 0.00 H new ATOM 0 HD2 LYS A 415 6.354 4.128 1.943 1.00 0.00 H new ATOM 0 HD3 LYS A 415 7.448 3.822 0.609 1.00 0.00 H new ATOM 0 HE2 LYS A 415 8.101 5.918 1.555 1.00 0.00 H new ATOM 0 HE3 LYS A 415 7.322 6.283 0.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 415 5.884 7.555 1.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 415 5.350 6.240 2.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 415 6.639 7.201 2.577 1.00 0.00 H new ATOM 526 N ASN A 416 6.803 1.427 -0.876 1.00 0.00 N ATOM 527 CA ASN A 416 6.464 0.014 -0.758 1.00 0.00 C ATOM 528 C ASN A 416 4.961 -0.172 -0.570 1.00 0.00 C ATOM 529 O ASN A 416 4.292 -0.700 -1.437 1.00 0.00 O ATOM 530 CB ASN A 416 7.222 -0.652 0.395 1.00 0.00 C ATOM 531 CG ASN A 416 8.694 -0.878 0.097 1.00 0.00 C ATOM 532 OD1 ASN A 416 9.453 0.065 -0.128 1.00 0.00 O ATOM 533 ND2 ASN A 416 9.109 -2.134 0.099 1.00 0.00 N ATOM 0 H ASN A 416 7.420 1.782 -0.145 1.00 0.00 H new ATOM 0 HA ASN A 416 6.765 -0.469 -1.688 1.00 0.00 H new ATOM 0 HB2 ASN A 416 7.130 -0.032 1.287 1.00 0.00 H new ATOM 0 HB3 ASN A 416 6.754 -1.609 0.623 1.00 0.00 H new ATOM 0 HD21 ASN A 416 10.088 -2.348 -0.090 1.00 0.00 H new ATOM 0 HD22 ASN A 416 8.450 -2.889 0.290 1.00 0.00 H new ATOM 540 N CYS A 417 4.388 0.369 0.481 1.00 0.00 N ATOM 541 CA CYS A 417 2.942 0.318 0.591 1.00 0.00 C ATOM 542 C CYS A 417 2.346 1.416 -0.273 1.00 0.00 C ATOM 543 O CYS A 417 2.737 2.578 -0.163 1.00 0.00 O ATOM 544 CB CYS A 417 2.484 0.459 2.034 1.00 0.00 C ATOM 545 SG CYS A 417 0.732 0.024 2.283 1.00 0.00 S ATOM 0 H CYS A 417 4.875 0.834 1.247 1.00 0.00 H new ATOM 0 HA CYS A 417 2.596 -0.655 0.243 1.00 0.00 H new ATOM 0 HB2 CYS A 417 3.102 -0.177 2.667 1.00 0.00 H new ATOM 0 HB3 CYS A 417 2.645 1.487 2.360 1.00 0.00 H new ATOM 550 N GLN A 418 1.512 1.033 -1.228 1.00 0.00 N ATOM 551 CA GLN A 418 1.007 1.986 -2.200 1.00 0.00 C ATOM 552 C GLN A 418 -0.394 1.628 -2.671 1.00 0.00 C ATOM 553 O GLN A 418 -0.842 0.487 -2.539 1.00 0.00 O ATOM 554 CB GLN A 418 1.974 2.116 -3.387 1.00 0.00 C ATOM 555 CG GLN A 418 2.525 0.796 -3.917 1.00 0.00 C ATOM 556 CD GLN A 418 1.571 0.070 -4.845 1.00 0.00 C ATOM 557 OE1 GLN A 418 1.181 0.598 -5.884 1.00 0.00 O ATOM 558 NE2 GLN A 418 1.200 -1.146 -4.483 1.00 0.00 N ATOM 0 H GLN A 418 1.174 0.078 -1.349 1.00 0.00 H new ATOM 0 HA GLN A 418 0.940 2.955 -1.705 1.00 0.00 H new ATOM 0 HB2 GLN A 418 1.461 2.631 -4.199 1.00 0.00 H new ATOM 0 HB3 GLN A 418 2.810 2.747 -3.087 1.00 0.00 H new ATOM 0 HG2 GLN A 418 3.458 0.988 -4.446 1.00 0.00 H new ATOM 0 HG3 GLN A 418 2.764 0.147 -3.074 1.00 0.00 H new ATOM 0 HE21 GLN A 418 1.547 -1.547 -3.612 1.00 0.00 H new ATOM 0 HE22 GLN A 418 0.566 -1.683 -5.075 1.00 0.00 H new ATOM 567 N PHE A 419 -1.100 2.646 -3.135 1.00 0.00 N ATOM 568 CA PHE A 419 -2.473 2.512 -3.588 1.00 0.00 C ATOM 569 C PHE A 419 -2.531 1.695 -4.873 1.00 0.00 C ATOM 570 O PHE A 419 -2.000 2.108 -5.906 1.00 0.00 O ATOM 571 CB PHE A 419 -3.055 3.907 -3.822 1.00 0.00 C ATOM 572 CG PHE A 419 -4.513 3.928 -4.170 1.00 0.00 C ATOM 573 CD1 PHE A 419 -5.452 3.383 -3.313 1.00 0.00 C ATOM 574 CD2 PHE A 419 -4.947 4.509 -5.351 1.00 0.00 C ATOM 575 CE1 PHE A 419 -6.798 3.411 -3.631 1.00 0.00 C ATOM 576 CE2 PHE A 419 -6.289 4.544 -5.672 1.00 0.00 C ATOM 577 CZ PHE A 419 -7.217 3.991 -4.812 1.00 0.00 C ATOM 0 H PHE A 419 -0.733 3.595 -3.208 1.00 0.00 H new ATOM 0 HA PHE A 419 -3.058 1.993 -2.829 1.00 0.00 H new ATOM 0 HB2 PHE A 419 -2.901 4.505 -2.924 1.00 0.00 H new ATOM 0 HB3 PHE A 419 -2.497 4.389 -4.625 1.00 0.00 H new ATOM 0 HD1 PHE A 419 -5.131 2.931 -2.386 1.00 0.00 H new ATOM 0 HD2 PHE A 419 -4.226 4.940 -6.029 1.00 0.00 H new ATOM 0 HE1 PHE A 419 -7.521 2.979 -2.955 1.00 0.00 H new ATOM 0 HE2 PHE A 419 -6.613 5.003 -6.594 1.00 0.00 H new ATOM 0 HZ PHE A 419 -8.267 4.012 -5.062 1.00 0.00 H new ATOM 587 N ASN A 420 -3.160 0.530 -4.802 1.00 0.00 N ATOM 588 CA ASN A 420 -3.259 -0.365 -5.957 1.00 0.00 C ATOM 589 C ASN A 420 -4.453 -0.028 -6.840 1.00 0.00 C ATOM 590 O ASN A 420 -4.816 -0.812 -7.720 1.00 0.00 O ATOM 591 CB ASN A 420 -3.344 -1.832 -5.517 1.00 0.00 C ATOM 592 CG ASN A 420 -4.291 -2.062 -4.356 1.00 0.00 C ATOM 593 OD1 ASN A 420 -4.101 -1.522 -3.272 1.00 0.00 O ATOM 594 ND2 ASN A 420 -5.305 -2.878 -4.565 1.00 0.00 N ATOM 0 H ASN A 420 -3.611 0.178 -3.958 1.00 0.00 H new ATOM 0 HA ASN A 420 -2.350 -0.219 -6.541 1.00 0.00 H new ATOM 0 HB2 ASN A 420 -3.666 -2.439 -6.363 1.00 0.00 H new ATOM 0 HB3 ASN A 420 -2.349 -2.177 -5.237 1.00 0.00 H new ATOM 0 HD21 ASN A 420 -5.963 -3.078 -3.811 1.00 0.00 H new ATOM 0 HD22 ASN A 420 -5.432 -3.310 -5.480 1.00 0.00 H new ATOM 601 N SER A 421 -5.018 1.161 -6.637 1.00 0.00 N ATOM 602 CA SER A 421 -6.150 1.657 -7.426 1.00 0.00 C ATOM 603 C SER A 421 -7.256 0.599 -7.533 1.00 0.00 C ATOM 604 O SER A 421 -7.585 -0.052 -6.545 1.00 0.00 O ATOM 605 CB SER A 421 -5.672 2.134 -8.807 1.00 0.00 C ATOM 606 OG SER A 421 -5.105 1.077 -9.566 1.00 0.00 O ATOM 0 H SER A 421 -4.704 1.812 -5.918 1.00 0.00 H new ATOM 0 HA SER A 421 -6.583 2.515 -6.912 1.00 0.00 H new ATOM 0 HB2 SER A 421 -6.512 2.563 -9.353 1.00 0.00 H new ATOM 0 HB3 SER A 421 -4.935 2.927 -8.682 1.00 0.00 H new ATOM 0 HG SER A 421 -5.252 0.226 -9.102 1.00 0.00 H new ATOM 612 N THR A 422 -7.796 0.377 -8.723 1.00 0.00 N ATOM 613 CA THR A 422 -8.801 -0.656 -8.876 1.00 0.00 C ATOM 614 C THR A 422 -8.145 -2.034 -8.814 1.00 0.00 C ATOM 615 O THR A 422 -7.229 -2.339 -9.584 1.00 0.00 O ATOM 616 CB THR A 422 -9.623 -0.489 -10.179 1.00 0.00 C ATOM 617 OG1 THR A 422 -10.625 -1.511 -10.263 1.00 0.00 O ATOM 618 CG2 THR A 422 -8.740 -0.532 -11.417 1.00 0.00 C ATOM 0 H THR A 422 -7.561 0.886 -9.575 1.00 0.00 H new ATOM 0 HA THR A 422 -9.505 -0.559 -8.050 1.00 0.00 H new ATOM 0 HB THR A 422 -10.099 0.491 -10.143 1.00 0.00 H new ATOM 0 HG1 THR A 422 -11.141 -1.397 -11.089 1.00 0.00 H new ATOM 0 HG21 THR A 422 -9.356 -0.411 -12.308 1.00 0.00 H new ATOM 0 HG22 THR A 422 -8.008 0.274 -11.370 1.00 0.00 H new ATOM 0 HG23 THR A 422 -8.222 -1.490 -11.461 1.00 0.00 H new ATOM 626 N LYS A 423 -8.552 -2.814 -7.821 1.00 0.00 N ATOM 627 CA LYS A 423 -7.972 -4.125 -7.568 1.00 0.00 C ATOM 628 C LYS A 423 -8.640 -4.746 -6.351 1.00 0.00 C ATOM 629 O LYS A 423 -9.065 -5.903 -6.374 1.00 0.00 O ATOM 630 CB LYS A 423 -6.461 -4.011 -7.310 1.00 0.00 C ATOM 631 CG LYS A 423 -5.726 -5.337 -7.386 1.00 0.00 C ATOM 632 CD LYS A 423 -5.724 -5.891 -8.801 1.00 0.00 C ATOM 633 CE LYS A 423 -4.922 -7.178 -8.894 1.00 0.00 C ATOM 634 NZ LYS A 423 -3.503 -6.981 -8.491 1.00 0.00 N ATOM 0 H LYS A 423 -9.293 -2.555 -7.169 1.00 0.00 H new ATOM 0 HA LYS A 423 -8.133 -4.751 -8.446 1.00 0.00 H new ATOM 0 HB2 LYS A 423 -6.028 -3.324 -8.037 1.00 0.00 H new ATOM 0 HB3 LYS A 423 -6.302 -3.574 -6.324 1.00 0.00 H new ATOM 0 HG2 LYS A 423 -4.699 -5.206 -7.044 1.00 0.00 H new ATOM 0 HG3 LYS A 423 -6.197 -6.054 -6.714 1.00 0.00 H new ATOM 0 HD2 LYS A 423 -6.749 -6.076 -9.122 1.00 0.00 H new ATOM 0 HD3 LYS A 423 -5.305 -5.150 -9.482 1.00 0.00 H new ATOM 0 HE2 LYS A 423 -5.378 -7.936 -8.257 1.00 0.00 H new ATOM 0 HE3 LYS A 423 -4.960 -7.556 -9.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 -2.934 -7.788 -8.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 -3.139 -6.105 -8.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 -3.443 -6.912 -7.455 1.00 0.00 H new ATOM 648 N ALA A 424 -8.737 -3.952 -5.293 1.00 0.00 N ATOM 649 CA ALA A 424 -9.357 -4.390 -4.052 1.00 0.00 C ATOM 650 C ALA A 424 -10.760 -3.821 -3.926 1.00 0.00 C ATOM 651 O ALA A 424 -11.023 -2.702 -4.371 1.00 0.00 O ATOM 652 CB ALA A 424 -8.511 -3.972 -2.861 1.00 0.00 C ATOM 0 H ALA A 424 -8.390 -2.993 -5.271 1.00 0.00 H new ATOM 0 HA ALA A 424 -9.425 -5.478 -4.068 1.00 0.00 H new ATOM 0 HB1 ALA A 424 -8.988 -4.307 -1.940 1.00 0.00 H new ATOM 0 HB2 ALA A 424 -7.522 -4.422 -2.942 1.00 0.00 H new ATOM 0 HB3 ALA A 424 -8.415 -2.886 -2.846 1.00 0.00 H new