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 Set 1.1: A 405 SER OG : rot 120:sc= 0.362 USER MOD Set 1.2: A 423 LYS NZ :NH3+ -177:sc= 0.379 (180deg=0) USER MOD Single : A 384 SER OG : rot 35:sc= 0.138 USER MOD Single : A 390 ASN :FLIP amide:sc= -0.693 F(o=-2.5!,f=-0.69) USER MOD Single : A 391 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00186) USER MOD Single : A 393 THR OG1 : rot 180:sc= 0.00214 USER MOD Single : A 397 LYS NZ :NH3+ -150:sc= 1.28 (180deg=1.02) USER MOD Single : A 399 SER OG : rot -52:sc= 0.209 USER MOD Single : A 402 LYS NZ :NH3+ 163:sc= -0.0594 (180deg=-0.319) USER MOD Single : A 407 HIS : no HE2:sc= -0.781 K(o=-0.78,f=-2.8!) USER MOD Single : A 408 LYS NZ :NH3+ -169:sc= -0.0322 (180deg=-0.238) USER MOD Single : A 411 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 415 LYS NZ :NH3+ -123:sc= 0.505 (180deg=-0.382) USER MOD Single : A 416 ASN : amide:sc= -0.0932 K(o=-0.093,f=-0.79) USER MOD Single : A 418 GLN : amide:sc= -0.376 X(o=-0.38,f=-0.51) USER MOD Single : A 420 ASN : amide:sc= -0.497 K(o=-0.5,f=-7.4!) USER MOD Single : A 421 SER OG : rot 180:sc= 0 USER MOD Single : A 422 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 32 N SER A 384 -7.063 11.223 -0.305 1.00 0.00 N ATOM 33 CA SER A 384 -5.663 10.869 -0.545 1.00 0.00 C ATOM 34 C SER A 384 -5.387 9.397 -0.214 1.00 0.00 C ATOM 35 O SER A 384 -4.602 9.094 0.686 1.00 0.00 O ATOM 36 CB SER A 384 -4.749 11.785 0.272 1.00 0.00 C ATOM 37 OG SER A 384 -5.028 13.153 0.001 1.00 0.00 O ATOM 0 HA SER A 384 -5.455 11.008 -1.606 1.00 0.00 H new ATOM 0 HB2 SER A 384 -4.884 11.586 1.335 1.00 0.00 H new ATOM 0 HB3 SER A 384 -3.707 11.569 0.037 1.00 0.00 H new ATOM 0 HG SER A 384 -5.989 13.266 -0.154 1.00 0.00 H new ATOM 43 N PRO A 385 -6.030 8.457 -0.937 1.00 0.00 N ATOM 44 CA PRO A 385 -5.868 7.016 -0.696 1.00 0.00 C ATOM 45 C PRO A 385 -4.418 6.561 -0.836 1.00 0.00 C ATOM 46 O PRO A 385 -3.960 5.685 -0.100 1.00 0.00 O ATOM 47 CB PRO A 385 -6.745 6.358 -1.770 1.00 0.00 C ATOM 48 CG PRO A 385 -6.986 7.419 -2.788 1.00 0.00 C ATOM 49 CD PRO A 385 -6.976 8.716 -2.036 1.00 0.00 C ATOM 0 HA PRO A 385 -6.154 6.746 0.321 1.00 0.00 H new ATOM 0 HB2 PRO A 385 -6.245 5.496 -2.212 1.00 0.00 H new ATOM 0 HB3 PRO A 385 -7.683 6.000 -1.346 1.00 0.00 H new ATOM 0 HG2 PRO A 385 -6.213 7.407 -3.556 1.00 0.00 H new ATOM 0 HG3 PRO A 385 -7.940 7.267 -3.293 1.00 0.00 H new ATOM 0 HD2 PRO A 385 -6.647 9.544 -2.664 1.00 0.00 H new ATOM 0 HD3 PRO A 385 -7.967 8.973 -1.663 1.00 0.00 H new ATOM 57 N GLU A 386 -3.691 7.182 -1.760 1.00 0.00 N ATOM 58 CA GLU A 386 -2.284 6.865 -1.958 1.00 0.00 C ATOM 59 C GLU A 386 -1.490 7.166 -0.692 1.00 0.00 C ATOM 60 O GLU A 386 -0.831 6.282 -0.149 1.00 0.00 O ATOM 61 CB GLU A 386 -1.716 7.653 -3.141 1.00 0.00 C ATOM 62 CG GLU A 386 -0.210 7.524 -3.291 1.00 0.00 C ATOM 63 CD GLU A 386 0.319 8.217 -4.528 1.00 0.00 C ATOM 64 OE1 GLU A 386 0.097 9.436 -4.680 1.00 0.00 O ATOM 65 OE2 GLU A 386 0.958 7.541 -5.360 1.00 0.00 O ATOM 0 H GLU A 386 -4.053 7.905 -2.381 1.00 0.00 H new ATOM 0 HA GLU A 386 -2.199 5.801 -2.180 1.00 0.00 H new ATOM 0 HB2 GLU A 386 -2.195 7.310 -4.058 1.00 0.00 H new ATOM 0 HB3 GLU A 386 -1.972 8.706 -3.022 1.00 0.00 H new ATOM 0 HG2 GLU A 386 0.275 7.944 -2.410 1.00 0.00 H new ATOM 0 HG3 GLU A 386 0.057 6.468 -3.330 1.00 0.00 H new ATOM 72 N ALA A 387 -1.624 8.389 -0.192 1.00 0.00 N ATOM 73 CA ALA A 387 -0.950 8.799 1.035 1.00 0.00 C ATOM 74 C ALA A 387 -1.384 7.934 2.212 1.00 0.00 C ATOM 75 O ALA A 387 -0.567 7.562 3.057 1.00 0.00 O ATOM 76 CB ALA A 387 -1.226 10.265 1.326 1.00 0.00 C ATOM 0 H ALA A 387 -2.196 9.117 -0.620 1.00 0.00 H new ATOM 0 HA ALA A 387 0.122 8.665 0.893 1.00 0.00 H new ATOM 0 HB1 ALA A 387 -0.716 10.556 2.245 1.00 0.00 H new ATOM 0 HB2 ALA A 387 -0.861 10.875 0.500 1.00 0.00 H new ATOM 0 HB3 ALA A 387 -2.299 10.417 1.443 1.00 0.00 H new ATOM 82 N GLU A 388 -2.671 7.604 2.249 1.00 0.00 N ATOM 83 CA GLU A 388 -3.218 6.772 3.313 1.00 0.00 C ATOM 84 C GLU A 388 -2.514 5.425 3.386 1.00 0.00 C ATOM 85 O GLU A 388 -2.186 4.959 4.466 1.00 0.00 O ATOM 86 CB GLU A 388 -4.723 6.572 3.126 1.00 0.00 C ATOM 87 CG GLU A 388 -5.535 7.800 3.484 1.00 0.00 C ATOM 88 CD GLU A 388 -5.355 8.203 4.932 1.00 0.00 C ATOM 89 OE1 GLU A 388 -5.756 7.429 5.824 1.00 0.00 O ATOM 90 OE2 GLU A 388 -4.806 9.294 5.185 1.00 0.00 O ATOM 0 H GLU A 388 -3.355 7.901 1.553 1.00 0.00 H new ATOM 0 HA GLU A 388 -3.047 7.293 4.255 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -4.921 6.302 2.089 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -5.051 5.735 3.742 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -5.241 8.628 2.839 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -6.590 7.605 3.292 1.00 0.00 H new ATOM 97 N CYS A 389 -2.250 4.822 2.239 1.00 0.00 N ATOM 98 CA CYS A 389 -1.532 3.551 2.187 1.00 0.00 C ATOM 99 C CYS A 389 -0.020 3.776 2.317 1.00 0.00 C ATOM 100 O CYS A 389 0.677 2.990 2.949 1.00 0.00 O ATOM 101 CB CYS A 389 -1.871 2.832 0.878 1.00 0.00 C ATOM 102 SG CYS A 389 -0.944 1.294 0.571 1.00 0.00 S ATOM 0 H CYS A 389 -2.521 5.190 1.327 1.00 0.00 H new ATOM 0 HA CYS A 389 -1.843 2.927 3.025 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -2.936 2.601 0.875 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -1.691 3.517 0.049 1.00 0.00 H new ATOM 107 N ASN A 390 0.473 4.871 1.745 1.00 0.00 N ATOM 108 CA ASN A 390 1.907 5.195 1.768 1.00 0.00 C ATOM 109 C ASN A 390 2.476 5.246 3.187 1.00 0.00 C ATOM 110 O ASN A 390 3.669 5.015 3.386 1.00 0.00 O ATOM 111 CB ASN A 390 2.179 6.535 1.070 1.00 0.00 C ATOM 112 CG ASN A 390 2.266 6.436 -0.450 1.00 0.00 C ATOM 113 OD1 ASN A 390 2.255 5.225 -0.987 1.00 0.00 O flip ATOM 114 ND2 ASN A 390 2.373 7.451 -1.139 1.00 0.00 N flip ATOM 0 H ASN A 390 -0.100 5.558 1.255 1.00 0.00 H new ATOM 0 HA ASN A 390 2.408 4.389 1.231 1.00 0.00 H new ATOM 0 HB2 ASN A 390 1.388 7.237 1.333 1.00 0.00 H new ATOM 0 HB3 ASN A 390 3.113 6.949 1.451 1.00 0.00 H new ATOM 0 HD21 ASN A 390 2.378 8.370 -0.696 1.00 0.00 H new ATOM 0 HD22 ASN A 390 2.456 7.373 -2.153 1.00 0.00 H new ATOM 121 N LYS A 391 1.663 5.662 4.154 1.00 0.00 N ATOM 122 CA LYS A 391 2.147 5.838 5.522 1.00 0.00 C ATOM 123 C LYS A 391 2.449 4.498 6.204 1.00 0.00 C ATOM 124 O LYS A 391 3.280 4.441 7.112 1.00 0.00 O ATOM 125 CB LYS A 391 1.169 6.671 6.360 1.00 0.00 C ATOM 126 CG LYS A 391 -0.242 6.118 6.435 1.00 0.00 C ATOM 127 CD LYS A 391 -1.139 7.021 7.268 1.00 0.00 C ATOM 128 CE LYS A 391 -2.604 6.629 7.158 1.00 0.00 C ATOM 129 NZ LYS A 391 -2.872 5.265 7.687 1.00 0.00 N ATOM 0 H LYS A 391 0.676 5.882 4.020 1.00 0.00 H new ATOM 0 HA LYS A 391 3.086 6.387 5.455 1.00 0.00 H new ATOM 0 HB2 LYS A 391 1.564 6.758 7.372 1.00 0.00 H new ATOM 0 HB3 LYS A 391 1.127 7.679 5.947 1.00 0.00 H new ATOM 0 HG2 LYS A 391 -0.652 6.020 5.430 1.00 0.00 H new ATOM 0 HG3 LYS A 391 -0.222 5.119 6.870 1.00 0.00 H new ATOM 0 HD2 LYS A 391 -0.829 6.976 8.312 1.00 0.00 H new ATOM 0 HD3 LYS A 391 -1.015 8.054 6.943 1.00 0.00 H new ATOM 0 HE2 LYS A 391 -3.212 7.352 7.702 1.00 0.00 H new ATOM 0 HE3 LYS A 391 -2.912 6.677 6.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 391 -3.887 5.054 7.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 391 -2.327 4.568 7.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 391 -2.589 5.219 8.687 1.00 0.00 H new ATOM 143 N ILE A 392 1.798 3.428 5.761 1.00 0.00 N ATOM 144 CA ILE A 392 2.050 2.098 6.302 1.00 0.00 C ATOM 145 C ILE A 392 3.476 1.659 5.958 1.00 0.00 C ATOM 146 O ILE A 392 3.915 1.789 4.818 1.00 0.00 O ATOM 147 CB ILE A 392 1.054 1.041 5.755 1.00 0.00 C ATOM 148 CG1 ILE A 392 -0.394 1.334 6.167 1.00 0.00 C ATOM 149 CG2 ILE A 392 1.440 -0.346 6.246 1.00 0.00 C ATOM 150 CD1 ILE A 392 -0.985 2.593 5.594 1.00 0.00 C ATOM 0 H ILE A 392 1.090 3.456 5.027 1.00 0.00 H new ATOM 0 HA ILE A 392 1.917 2.161 7.382 1.00 0.00 H new ATOM 0 HB ILE A 392 1.110 1.087 4.667 1.00 0.00 H new ATOM 0 HG12 ILE A 392 -1.017 0.491 5.867 1.00 0.00 H new ATOM 0 HG13 ILE A 392 -0.440 1.393 7.254 1.00 0.00 H new ATOM 0 HG21 ILE A 392 0.734 -1.079 5.856 1.00 0.00 H new ATOM 0 HG22 ILE A 392 2.444 -0.588 5.899 1.00 0.00 H new ATOM 0 HG23 ILE A 392 1.418 -0.365 7.336 1.00 0.00 H new ATOM 0 HD11 ILE A 392 -2.010 2.707 5.946 1.00 0.00 H new ATOM 0 HD12 ILE A 392 -0.394 3.451 5.914 1.00 0.00 H new ATOM 0 HD13 ILE A 392 -0.980 2.535 4.506 1.00 0.00 H new ATOM 162 N THR A 393 4.209 1.189 6.949 1.00 0.00 N ATOM 163 CA THR A 393 5.590 0.785 6.745 1.00 0.00 C ATOM 164 C THR A 393 5.738 -0.730 6.769 1.00 0.00 C ATOM 165 O THR A 393 6.637 -1.280 6.132 1.00 0.00 O ATOM 166 CB THR A 393 6.514 1.413 7.804 1.00 0.00 C ATOM 167 OG1 THR A 393 5.913 1.305 9.099 1.00 0.00 O ATOM 168 CG2 THR A 393 6.787 2.875 7.490 1.00 0.00 C ATOM 0 H THR A 393 3.872 1.077 7.905 1.00 0.00 H new ATOM 0 HA THR A 393 5.885 1.146 5.760 1.00 0.00 H new ATOM 0 HB THR A 393 7.461 0.874 7.793 1.00 0.00 H new ATOM 0 HG1 THR A 393 6.506 1.705 9.769 1.00 0.00 H new ATOM 0 HG21 THR A 393 7.442 3.295 8.253 1.00 0.00 H new ATOM 0 HG22 THR A 393 7.268 2.954 6.515 1.00 0.00 H new ATOM 0 HG23 THR A 393 5.847 3.426 7.476 1.00 0.00 H new ATOM 176 N GLU A 394 4.903 -1.393 7.555 1.00 0.00 N ATOM 177 CA GLU A 394 4.979 -2.840 7.699 1.00 0.00 C ATOM 178 C GLU A 394 4.254 -3.557 6.562 1.00 0.00 C ATOM 179 O GLU A 394 3.129 -3.201 6.210 1.00 0.00 O ATOM 180 CB GLU A 394 4.389 -3.275 9.037 1.00 0.00 C ATOM 181 CG GLU A 394 5.175 -2.783 10.238 1.00 0.00 C ATOM 182 CD GLU A 394 4.673 -3.376 11.535 1.00 0.00 C ATOM 183 OE1 GLU A 394 3.515 -3.110 11.905 1.00 0.00 O ATOM 184 OE2 GLU A 394 5.434 -4.130 12.178 1.00 0.00 O ATOM 0 H GLU A 394 4.164 -0.952 8.103 1.00 0.00 H new ATOM 0 HA GLU A 394 6.033 -3.116 7.660 1.00 0.00 H new ATOM 0 HB2 GLU A 394 3.365 -2.909 9.109 1.00 0.00 H new ATOM 0 HB3 GLU A 394 4.341 -4.364 9.066 1.00 0.00 H new ATOM 0 HG2 GLU A 394 6.227 -3.036 10.109 1.00 0.00 H new ATOM 0 HG3 GLU A 394 5.112 -1.696 10.290 1.00 0.00 H new ATOM 191 N GLU A 395 4.861 -4.637 6.074 1.00 0.00 N ATOM 192 CA GLU A 395 4.235 -5.488 5.067 1.00 0.00 C ATOM 193 C GLU A 395 2.914 -6.077 5.582 1.00 0.00 C ATOM 194 O GLU A 395 1.905 -5.982 4.891 1.00 0.00 O ATOM 195 CB GLU A 395 5.203 -6.599 4.621 1.00 0.00 C ATOM 196 CG GLU A 395 4.652 -7.515 3.534 1.00 0.00 C ATOM 197 CD GLU A 395 4.066 -8.809 4.070 1.00 0.00 C ATOM 198 OE1 GLU A 395 4.121 -9.037 5.295 1.00 0.00 O ATOM 199 OE2 GLU A 395 3.564 -9.619 3.261 1.00 0.00 O ATOM 0 H GLU A 395 5.790 -4.944 6.362 1.00 0.00 H new ATOM 0 HA GLU A 395 4.002 -4.872 4.199 1.00 0.00 H new ATOM 0 HB2 GLU A 395 6.123 -6.139 4.260 1.00 0.00 H new ATOM 0 HB3 GLU A 395 5.468 -7.203 5.489 1.00 0.00 H new ATOM 0 HG2 GLU A 395 3.883 -6.981 2.976 1.00 0.00 H new ATOM 0 HG3 GLU A 395 5.450 -7.751 2.830 1.00 0.00 H new ATOM 206 N PRO A 396 2.876 -6.677 6.800 1.00 0.00 N ATOM 207 CA PRO A 396 1.640 -7.255 7.349 1.00 0.00 C ATOM 208 C PRO A 396 0.508 -6.232 7.422 1.00 0.00 C ATOM 209 O PRO A 396 -0.631 -6.529 7.065 1.00 0.00 O ATOM 210 CB PRO A 396 2.040 -7.710 8.755 1.00 0.00 C ATOM 211 CG PRO A 396 3.514 -7.892 8.692 1.00 0.00 C ATOM 212 CD PRO A 396 4.012 -6.854 7.730 1.00 0.00 C ATOM 0 HA PRO A 396 1.260 -8.063 6.724 1.00 0.00 H new ATOM 0 HB2 PRO A 396 1.765 -6.967 9.504 1.00 0.00 H new ATOM 0 HB3 PRO A 396 1.538 -8.638 9.028 1.00 0.00 H new ATOM 0 HG2 PRO A 396 3.966 -7.763 9.675 1.00 0.00 H new ATOM 0 HG3 PRO A 396 3.770 -8.895 8.352 1.00 0.00 H new ATOM 0 HD2 PRO A 396 4.264 -5.923 8.238 1.00 0.00 H new ATOM 0 HD3 PRO A 396 4.910 -7.186 7.209 1.00 0.00 H new ATOM 220 N LYS A 397 0.846 -5.015 7.832 1.00 0.00 N ATOM 221 CA LYS A 397 -0.127 -3.930 7.900 1.00 0.00 C ATOM 222 C LYS A 397 -0.631 -3.574 6.505 1.00 0.00 C ATOM 223 O LYS A 397 -1.836 -3.455 6.275 1.00 0.00 O ATOM 224 CB LYS A 397 0.504 -2.693 8.543 1.00 0.00 C ATOM 225 CG LYS A 397 0.947 -2.895 9.981 1.00 0.00 C ATOM 226 CD LYS A 397 -0.240 -3.093 10.903 1.00 0.00 C ATOM 227 CE LYS A 397 0.183 -3.124 12.365 1.00 0.00 C ATOM 228 NZ LYS A 397 1.203 -4.172 12.633 1.00 0.00 N ATOM 0 H LYS A 397 1.788 -4.754 8.123 1.00 0.00 H new ATOM 0 HA LYS A 397 -0.968 -4.265 8.507 1.00 0.00 H new ATOM 0 HB2 LYS A 397 1.366 -2.388 7.949 1.00 0.00 H new ATOM 0 HB3 LYS A 397 -0.214 -1.873 8.508 1.00 0.00 H new ATOM 0 HG2 LYS A 397 1.606 -3.761 10.042 1.00 0.00 H new ATOM 0 HG3 LYS A 397 1.525 -2.031 10.310 1.00 0.00 H new ATOM 0 HD2 LYS A 397 -0.959 -2.288 10.749 1.00 0.00 H new ATOM 0 HD3 LYS A 397 -0.746 -4.025 10.650 1.00 0.00 H new ATOM 0 HE2 LYS A 397 0.583 -2.150 12.646 1.00 0.00 H new ATOM 0 HE3 LYS A 397 -0.692 -3.302 12.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 397 1.102 -4.513 13.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 397 1.068 -4.965 11.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 397 2.154 -3.772 12.503 1.00 0.00 H new ATOM 242 N CYS A 398 0.307 -3.406 5.585 1.00 0.00 N ATOM 243 CA CYS A 398 -0.008 -3.045 4.208 1.00 0.00 C ATOM 244 C CYS A 398 -0.817 -4.156 3.544 1.00 0.00 C ATOM 245 O CYS A 398 -1.781 -3.903 2.822 1.00 0.00 O ATOM 246 CB CYS A 398 1.294 -2.798 3.439 1.00 0.00 C ATOM 247 SG CYS A 398 1.120 -1.755 1.957 1.00 0.00 S ATOM 0 H CYS A 398 1.304 -3.515 5.769 1.00 0.00 H new ATOM 0 HA CYS A 398 -0.607 -2.134 4.200 1.00 0.00 H new ATOM 0 HB2 CYS A 398 2.014 -2.332 4.112 1.00 0.00 H new ATOM 0 HB3 CYS A 398 1.712 -3.760 3.142 1.00 0.00 H new ATOM 252 N SER A 399 -0.453 -5.392 3.856 1.00 0.00 N ATOM 253 CA SER A 399 -1.136 -6.573 3.347 1.00 0.00 C ATOM 254 C SER A 399 -2.423 -6.847 4.143 1.00 0.00 C ATOM 255 O SER A 399 -2.815 -7.997 4.348 1.00 0.00 O ATOM 256 CB SER A 399 -0.175 -7.767 3.430 1.00 0.00 C ATOM 257 OG SER A 399 -0.649 -8.897 2.712 1.00 0.00 O ATOM 0 H SER A 399 0.330 -5.605 4.474 1.00 0.00 H new ATOM 0 HA SER A 399 -1.427 -6.410 2.309 1.00 0.00 H new ATOM 0 HB2 SER A 399 0.799 -7.474 3.038 1.00 0.00 H new ATOM 0 HB3 SER A 399 -0.029 -8.040 4.475 1.00 0.00 H new ATOM 0 HG SER A 399 -1.564 -9.104 2.995 1.00 0.00 H new ATOM 263 N GLU A 400 -3.117 -5.780 4.515 1.00 0.00 N ATOM 264 CA GLU A 400 -4.383 -5.887 5.228 1.00 0.00 C ATOM 265 C GLU A 400 -5.213 -4.627 5.015 1.00 0.00 C ATOM 266 O GLU A 400 -6.442 -4.687 4.942 1.00 0.00 O ATOM 267 CB GLU A 400 -4.157 -6.124 6.728 1.00 0.00 C ATOM 268 CG GLU A 400 -5.449 -6.339 7.504 1.00 0.00 C ATOM 269 CD GLU A 400 -5.225 -6.694 8.959 1.00 0.00 C ATOM 270 OE1 GLU A 400 -4.058 -6.858 9.370 1.00 0.00 O ATOM 271 OE2 GLU A 400 -6.222 -6.833 9.699 1.00 0.00 O ATOM 0 H GLU A 400 -2.821 -4.821 4.333 1.00 0.00 H new ATOM 0 HA GLU A 400 -4.925 -6.744 4.828 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -3.514 -6.994 6.859 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -3.627 -5.269 7.148 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -6.053 -5.433 7.448 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -6.022 -7.135 7.028 1.00 0.00 H new ATOM 278 N GLU A 401 -4.528 -3.491 4.919 1.00 0.00 N ATOM 279 CA GLU A 401 -5.177 -2.203 4.700 1.00 0.00 C ATOM 280 C GLU A 401 -6.113 -2.240 3.503 1.00 0.00 C ATOM 281 O GLU A 401 -5.758 -2.763 2.446 1.00 0.00 O ATOM 282 CB GLU A 401 -4.129 -1.122 4.477 1.00 0.00 C ATOM 283 CG GLU A 401 -3.398 -0.726 5.737 1.00 0.00 C ATOM 284 CD GLU A 401 -4.332 -0.150 6.779 1.00 0.00 C ATOM 285 OE1 GLU A 401 -4.911 0.928 6.531 1.00 0.00 O ATOM 286 OE2 GLU A 401 -4.515 -0.776 7.839 1.00 0.00 O ATOM 0 H GLU A 401 -3.512 -3.438 4.991 1.00 0.00 H new ATOM 0 HA GLU A 401 -5.765 -1.979 5.590 1.00 0.00 H new ATOM 0 HB2 GLU A 401 -3.406 -1.474 3.742 1.00 0.00 H new ATOM 0 HB3 GLU A 401 -4.611 -0.241 4.053 1.00 0.00 H new ATOM 0 HG2 GLU A 401 -2.889 -1.597 6.149 1.00 0.00 H new ATOM 0 HG3 GLU A 401 -2.629 0.008 5.494 1.00 0.00 H new ATOM 293 N LYS A 402 -7.293 -1.666 3.675 1.00 0.00 N ATOM 294 CA LYS A 402 -8.286 -1.624 2.616 1.00 0.00 C ATOM 295 C LYS A 402 -7.736 -0.891 1.394 1.00 0.00 C ATOM 296 O LYS A 402 -7.156 0.191 1.523 1.00 0.00 O ATOM 297 CB LYS A 402 -9.558 -0.938 3.117 1.00 0.00 C ATOM 298 CG LYS A 402 -10.742 -1.116 2.190 1.00 0.00 C ATOM 299 CD LYS A 402 -12.000 -0.494 2.768 1.00 0.00 C ATOM 300 CE LYS A 402 -13.218 -0.811 1.916 1.00 0.00 C ATOM 301 NZ LYS A 402 -13.529 -2.265 1.910 1.00 0.00 N ATOM 0 H LYS A 402 -7.587 -1.220 4.544 1.00 0.00 H new ATOM 0 HA LYS A 402 -8.527 -2.646 2.324 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -9.813 -1.334 4.100 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -9.362 0.127 3.244 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -10.521 -0.661 1.224 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -10.909 -2.178 2.011 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -12.157 -0.863 3.782 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -11.874 0.586 2.838 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -14.078 -0.258 2.293 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -13.044 -0.473 0.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -14.502 -2.411 1.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -12.866 -2.759 1.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -13.437 -2.644 2.874 1.00 0.00 H new ATOM 315 N ILE A 403 -7.885 -1.527 0.228 1.00 0.00 N ATOM 316 CA ILE A 403 -7.403 -1.017 -1.065 1.00 0.00 C ATOM 317 C ILE A 403 -5.949 -0.516 -0.993 1.00 0.00 C ATOM 318 O ILE A 403 -5.513 0.337 -1.771 1.00 0.00 O ATOM 319 CB ILE A 403 -8.361 0.056 -1.660 1.00 0.00 C ATOM 320 CG1 ILE A 403 -8.145 0.174 -3.172 1.00 0.00 C ATOM 321 CG2 ILE A 403 -8.195 1.413 -0.986 1.00 0.00 C ATOM 322 CD1 ILE A 403 -9.180 1.030 -3.871 1.00 0.00 C ATOM 0 H ILE A 403 -8.353 -2.430 0.152 1.00 0.00 H new ATOM 0 HA ILE A 403 -7.405 -1.863 -1.753 1.00 0.00 H new ATOM 0 HB ILE A 403 -9.383 -0.272 -1.468 1.00 0.00 H new ATOM 0 HG12 ILE A 403 -7.156 0.593 -3.357 1.00 0.00 H new ATOM 0 HG13 ILE A 403 -8.156 -0.824 -3.610 1.00 0.00 H new ATOM 0 HG21 ILE A 403 -8.884 2.129 -1.435 1.00 0.00 H new ATOM 0 HG22 ILE A 403 -8.411 1.319 0.078 1.00 0.00 H new ATOM 0 HG23 ILE A 403 -7.171 1.763 -1.119 1.00 0.00 H new ATOM 0 HD11 ILE A 403 -8.961 1.067 -4.938 1.00 0.00 H new ATOM 0 HD12 ILE A 403 -10.170 0.601 -3.718 1.00 0.00 H new ATOM 0 HD13 ILE A 403 -9.154 2.039 -3.461 1.00 0.00 H new ATOM 334 N CYS A 404 -5.167 -1.169 -0.153 1.00 0.00 N ATOM 335 CA CYS A 404 -3.749 -0.894 -0.042 1.00 0.00 C ATOM 336 C CYS A 404 -2.974 -2.204 -0.164 1.00 0.00 C ATOM 337 O CYS A 404 -3.530 -3.279 0.081 1.00 0.00 O ATOM 338 CB CYS A 404 -3.492 -0.178 1.282 1.00 0.00 C ATOM 339 SG CYS A 404 -1.762 -0.082 1.815 1.00 0.00 S ATOM 0 H CYS A 404 -5.498 -1.905 0.471 1.00 0.00 H new ATOM 0 HA CYS A 404 -3.407 -0.240 -0.844 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -3.884 0.836 1.205 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -4.063 -0.682 2.061 1.00 0.00 H new ATOM 344 N SER A 405 -1.795 -2.137 -0.766 1.00 0.00 N ATOM 345 CA SER A 405 -1.074 -3.348 -1.140 1.00 0.00 C ATOM 346 C SER A 405 0.436 -3.133 -1.083 1.00 0.00 C ATOM 347 O SER A 405 0.931 -2.047 -1.392 1.00 0.00 O ATOM 348 CB SER A 405 -1.500 -3.776 -2.553 1.00 0.00 C ATOM 349 OG SER A 405 -0.893 -4.996 -2.951 1.00 0.00 O ATOM 0 H SER A 405 -1.320 -1.266 -1.005 1.00 0.00 H new ATOM 0 HA SER A 405 -1.321 -4.136 -0.429 1.00 0.00 H new ATOM 0 HB2 SER A 405 -2.584 -3.884 -2.586 1.00 0.00 H new ATOM 0 HB3 SER A 405 -1.236 -2.992 -3.263 1.00 0.00 H new ATOM 0 HG SER A 405 -1.588 -5.661 -3.138 1.00 0.00 H new ATOM 355 N TRP A 406 1.158 -4.172 -0.671 1.00 0.00 N ATOM 356 CA TRP A 406 2.609 -4.107 -0.557 1.00 0.00 C ATOM 357 C TRP A 406 3.267 -4.207 -1.933 1.00 0.00 C ATOM 358 O TRP A 406 2.679 -4.723 -2.887 1.00 0.00 O ATOM 359 CB TRP A 406 3.126 -5.221 0.361 1.00 0.00 C ATOM 360 CG TRP A 406 4.533 -5.003 0.846 1.00 0.00 C ATOM 361 CD1 TRP A 406 5.628 -5.776 0.574 1.00 0.00 C ATOM 362 CD2 TRP A 406 4.992 -3.958 1.715 1.00 0.00 C ATOM 363 NE1 TRP A 406 6.736 -5.263 1.197 1.00 0.00 N ATOM 364 CE2 TRP A 406 6.373 -4.151 1.910 1.00 0.00 C ATOM 365 CE3 TRP A 406 4.374 -2.873 2.336 1.00 0.00 C ATOM 366 CZ2 TRP A 406 7.138 -3.305 2.708 1.00 0.00 C ATOM 367 CZ3 TRP A 406 5.133 -2.035 3.130 1.00 0.00 C ATOM 368 CH2 TRP A 406 6.500 -2.252 3.307 1.00 0.00 C ATOM 0 H TRP A 406 0.757 -5.073 -0.410 1.00 0.00 H new ATOM 0 HA TRP A 406 2.872 -3.144 -0.120 1.00 0.00 H new ATOM 0 HB2 TRP A 406 2.464 -5.306 1.222 1.00 0.00 H new ATOM 0 HB3 TRP A 406 3.078 -6.170 -0.173 1.00 0.00 H new ATOM 0 HD1 TRP A 406 5.621 -6.663 -0.043 1.00 0.00 H new ATOM 0 HE1 TRP A 406 7.679 -5.647 1.139 1.00 0.00 H new ATOM 0 HE3 TRP A 406 3.318 -2.691 2.198 1.00 0.00 H new ATOM 0 HZ2 TRP A 406 8.195 -3.473 2.849 1.00 0.00 H new ATOM 0 HZ3 TRP A 406 4.660 -1.198 3.622 1.00 0.00 H new ATOM 0 HH2 TRP A 406 7.067 -1.575 3.929 1.00 0.00 H new ATOM 379 N HIS A 407 4.440 -3.610 -2.042 1.00 0.00 N ATOM 380 CA HIS A 407 5.169 -3.501 -3.297 1.00 0.00 C ATOM 381 C HIS A 407 6.610 -3.951 -3.071 1.00 0.00 C ATOM 382 O HIS A 407 7.429 -3.185 -2.569 1.00 0.00 O ATOM 383 CB HIS A 407 5.145 -2.039 -3.753 1.00 0.00 C ATOM 384 CG HIS A 407 5.369 -1.811 -5.208 1.00 0.00 C ATOM 385 ND1 HIS A 407 6.517 -2.174 -5.858 1.00 0.00 N ATOM 386 CD2 HIS A 407 4.602 -1.184 -6.125 1.00 0.00 C ATOM 387 CE1 HIS A 407 6.457 -1.776 -7.109 1.00 0.00 C ATOM 388 NE2 HIS A 407 5.301 -1.175 -7.302 1.00 0.00 N ATOM 0 H HIS A 407 4.921 -3.181 -1.252 1.00 0.00 H new ATOM 0 HA HIS A 407 4.710 -4.128 -4.061 1.00 0.00 H new ATOM 0 HB2 HIS A 407 4.181 -1.609 -3.481 1.00 0.00 H new ATOM 0 HB3 HIS A 407 5.906 -1.492 -3.197 1.00 0.00 H new ATOM 0 HD1 HIS A 407 7.299 -2.676 -5.437 1.00 0.00 H new ATOM 0 HD2 HIS A 407 3.619 -0.767 -5.961 1.00 0.00 H new ATOM 0 HE1 HIS A 407 7.226 -1.918 -7.854 1.00 0.00 H new ATOM 397 N LYS A 408 6.878 -5.223 -3.323 1.00 0.00 N ATOM 398 CA LYS A 408 8.182 -5.821 -3.018 1.00 0.00 C ATOM 399 C LYS A 408 9.254 -5.434 -4.042 1.00 0.00 C ATOM 400 O LYS A 408 10.028 -6.281 -4.492 1.00 0.00 O ATOM 401 CB LYS A 408 8.050 -7.343 -2.952 1.00 0.00 C ATOM 402 CG LYS A 408 7.039 -7.821 -1.921 1.00 0.00 C ATOM 403 CD LYS A 408 6.903 -9.337 -1.915 1.00 0.00 C ATOM 404 CE LYS A 408 6.381 -9.872 -3.243 1.00 0.00 C ATOM 405 NZ LYS A 408 5.056 -9.299 -3.596 1.00 0.00 N ATOM 0 H LYS A 408 6.209 -5.870 -3.741 1.00 0.00 H new ATOM 0 HA LYS A 408 8.502 -5.432 -2.051 1.00 0.00 H new ATOM 0 HB2 LYS A 408 7.760 -7.717 -3.934 1.00 0.00 H new ATOM 0 HB3 LYS A 408 9.024 -7.774 -2.721 1.00 0.00 H new ATOM 0 HG2 LYS A 408 7.342 -7.480 -0.931 1.00 0.00 H new ATOM 0 HG3 LYS A 408 6.068 -7.371 -2.129 1.00 0.00 H new ATOM 0 HD2 LYS A 408 7.872 -9.786 -1.700 1.00 0.00 H new ATOM 0 HD3 LYS A 408 6.228 -9.637 -1.114 1.00 0.00 H new ATOM 0 HE2 LYS A 408 7.097 -9.642 -4.032 1.00 0.00 H new ATOM 0 HE3 LYS A 408 6.303 -10.958 -3.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 4.655 -9.822 -4.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 4.416 -9.376 -2.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 5.168 -8.298 -3.855 1.00 0.00 H new ATOM 419 N GLU A 409 9.315 -4.153 -4.373 1.00 0.00 N ATOM 420 CA GLU A 409 10.300 -3.627 -5.306 1.00 0.00 C ATOM 421 C GLU A 409 10.150 -2.117 -5.396 1.00 0.00 C ATOM 422 O GLU A 409 9.037 -1.617 -5.495 1.00 0.00 O ATOM 423 CB GLU A 409 10.102 -4.243 -6.688 1.00 0.00 C ATOM 424 CG GLU A 409 11.165 -3.842 -7.699 1.00 0.00 C ATOM 425 CD GLU A 409 12.556 -4.300 -7.304 1.00 0.00 C ATOM 426 OE1 GLU A 409 12.791 -5.527 -7.242 1.00 0.00 O ATOM 427 OE2 GLU A 409 13.423 -3.438 -7.055 1.00 0.00 O ATOM 0 H GLU A 409 8.680 -3.447 -4.001 1.00 0.00 H new ATOM 0 HA GLU A 409 11.299 -3.879 -4.949 1.00 0.00 H new ATOM 0 HB2 GLU A 409 10.096 -5.329 -6.594 1.00 0.00 H new ATOM 0 HB3 GLU A 409 9.123 -3.950 -7.069 1.00 0.00 H new ATOM 0 HG2 GLU A 409 10.912 -4.263 -8.672 1.00 0.00 H new ATOM 0 HG3 GLU A 409 11.163 -2.758 -7.811 1.00 0.00 H new ATOM 434 N VAL A 410 11.255 -1.395 -5.360 1.00 0.00 N ATOM 435 CA VAL A 410 11.218 0.059 -5.448 1.00 0.00 C ATOM 436 C VAL A 410 12.439 0.580 -6.191 1.00 0.00 C ATOM 437 O VAL A 410 13.527 0.018 -6.087 1.00 0.00 O ATOM 438 CB VAL A 410 11.121 0.729 -4.058 1.00 0.00 C ATOM 439 CG1 VAL A 410 9.716 0.584 -3.483 1.00 0.00 C ATOM 440 CG2 VAL A 410 12.150 0.146 -3.101 1.00 0.00 C ATOM 0 H VAL A 410 12.191 -1.789 -5.270 1.00 0.00 H new ATOM 0 HA VAL A 410 10.317 0.320 -6.003 1.00 0.00 H new ATOM 0 HB VAL A 410 11.333 1.791 -4.183 1.00 0.00 H new ATOM 0 HG11 VAL A 410 9.672 1.063 -2.505 1.00 0.00 H new ATOM 0 HG12 VAL A 410 8.998 1.059 -4.152 1.00 0.00 H new ATOM 0 HG13 VAL A 410 9.472 -0.473 -3.381 1.00 0.00 H new ATOM 0 HG21 VAL A 410 12.061 0.634 -2.130 1.00 0.00 H new ATOM 0 HG22 VAL A 410 11.976 -0.924 -2.987 1.00 0.00 H new ATOM 0 HG23 VAL A 410 13.151 0.310 -3.499 1.00 0.00 H new ATOM 450 N LYS A 411 12.213 1.553 -7.062 1.00 0.00 N ATOM 451 CA LYS A 411 13.257 2.034 -7.951 1.00 0.00 C ATOM 452 C LYS A 411 13.252 3.559 -8.028 1.00 0.00 C ATOM 453 O LYS A 411 12.837 4.140 -9.033 1.00 0.00 O ATOM 454 CB LYS A 411 13.051 1.441 -9.336 1.00 0.00 C ATOM 455 CG LYS A 411 14.196 1.697 -10.298 1.00 0.00 C ATOM 456 CD LYS A 411 13.873 1.169 -11.685 1.00 0.00 C ATOM 457 CE LYS A 411 14.980 1.489 -12.671 1.00 0.00 C ATOM 458 NZ LYS A 411 14.614 1.106 -14.060 1.00 0.00 N ATOM 0 H LYS A 411 11.315 2.024 -7.171 1.00 0.00 H new ATOM 0 HA LYS A 411 14.224 1.721 -7.557 1.00 0.00 H new ATOM 0 HB2 LYS A 411 12.905 0.365 -9.240 1.00 0.00 H new ATOM 0 HB3 LYS A 411 12.135 1.850 -9.762 1.00 0.00 H new ATOM 0 HG2 LYS A 411 14.399 2.767 -10.351 1.00 0.00 H new ATOM 0 HG3 LYS A 411 15.102 1.219 -9.925 1.00 0.00 H new ATOM 0 HD2 LYS A 411 13.725 0.090 -11.640 1.00 0.00 H new ATOM 0 HD3 LYS A 411 12.937 1.605 -12.033 1.00 0.00 H new ATOM 0 HE2 LYS A 411 15.201 2.556 -12.635 1.00 0.00 H new ATOM 0 HE3 LYS A 411 15.890 0.965 -12.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 411 15.397 1.341 -14.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 411 14.428 0.084 -14.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 411 13.761 1.625 -14.350 1.00 0.00 H new ATOM 472 N ALA A 412 13.756 4.178 -6.971 1.00 0.00 N ATOM 473 CA ALA A 412 13.913 5.632 -6.888 1.00 0.00 C ATOM 474 C ALA A 412 12.674 6.386 -7.374 1.00 0.00 C ATOM 475 O ALA A 412 12.770 7.297 -8.199 1.00 0.00 O ATOM 476 CB ALA A 412 15.145 6.058 -7.666 1.00 0.00 C ATOM 0 H ALA A 412 14.072 3.685 -6.136 1.00 0.00 H new ATOM 0 HA ALA A 412 14.038 5.892 -5.837 1.00 0.00 H new ATOM 0 HB1 ALA A 412 15.259 7.140 -7.603 1.00 0.00 H new ATOM 0 HB2 ALA A 412 16.026 5.575 -7.245 1.00 0.00 H new ATOM 0 HB3 ALA A 412 15.035 5.765 -8.710 1.00 0.00 H new ATOM 482 N GLY A 413 11.512 5.998 -6.872 1.00 0.00 N ATOM 483 CA GLY A 413 10.283 6.646 -7.278 1.00 0.00 C ATOM 484 C GLY A 413 9.064 5.948 -6.724 1.00 0.00 C ATOM 485 O GLY A 413 8.074 6.592 -6.370 1.00 0.00 O ATOM 0 H GLY A 413 11.398 5.247 -6.191 1.00 0.00 H new ATOM 0 HA2 GLY A 413 10.291 7.682 -6.941 1.00 0.00 H new ATOM 0 HA3 GLY A 413 10.226 6.665 -8.366 1.00 0.00 H new ATOM 489 N GLU A 414 9.137 4.627 -6.661 1.00 0.00 N ATOM 490 CA GLU A 414 8.039 3.815 -6.161 1.00 0.00 C ATOM 491 C GLU A 414 7.914 3.934 -4.642 1.00 0.00 C ATOM 492 O GLU A 414 8.652 4.683 -4.000 1.00 0.00 O ATOM 493 CB GLU A 414 8.270 2.348 -6.533 1.00 0.00 C ATOM 494 CG GLU A 414 8.522 2.104 -8.013 1.00 0.00 C ATOM 495 CD GLU A 414 7.302 2.344 -8.882 1.00 0.00 C ATOM 496 OE1 GLU A 414 6.234 2.699 -8.349 1.00 0.00 O ATOM 497 OE2 GLU A 414 7.407 2.174 -10.111 1.00 0.00 O ATOM 0 H GLU A 414 9.954 4.091 -6.953 1.00 0.00 H new ATOM 0 HA GLU A 414 7.117 4.175 -6.616 1.00 0.00 H new ATOM 0 HB2 GLU A 414 9.122 1.972 -5.966 1.00 0.00 H new ATOM 0 HB3 GLU A 414 7.401 1.767 -6.225 1.00 0.00 H new ATOM 0 HG2 GLU A 414 9.330 2.754 -8.348 1.00 0.00 H new ATOM 0 HG3 GLU A 414 8.861 1.077 -8.151 1.00 0.00 H new ATOM 504 N LYS A 415 7.072 3.084 -4.076 1.00 0.00 N ATOM 505 CA LYS A 415 6.921 2.962 -2.633 1.00 0.00 C ATOM 506 C LYS A 415 6.462 1.555 -2.314 1.00 0.00 C ATOM 507 O LYS A 415 5.767 0.942 -3.121 1.00 0.00 O ATOM 508 CB LYS A 415 5.912 3.979 -2.083 1.00 0.00 C ATOM 509 CG LYS A 415 6.504 5.359 -1.852 1.00 0.00 C ATOM 510 CD LYS A 415 7.553 5.334 -0.751 1.00 0.00 C ATOM 511 CE LYS A 415 8.350 6.626 -0.709 1.00 0.00 C ATOM 512 NZ LYS A 415 9.166 6.815 -1.938 1.00 0.00 N ATOM 0 H LYS A 415 6.470 2.455 -4.607 1.00 0.00 H new ATOM 0 HA LYS A 415 7.881 3.167 -2.160 1.00 0.00 H new ATOM 0 HB2 LYS A 415 5.077 4.063 -2.779 1.00 0.00 H new ATOM 0 HB3 LYS A 415 5.507 3.604 -1.143 1.00 0.00 H new ATOM 0 HG2 LYS A 415 6.952 5.724 -2.776 1.00 0.00 H new ATOM 0 HG3 LYS A 415 5.711 6.057 -1.585 1.00 0.00 H new ATOM 0 HD2 LYS A 415 7.067 5.174 0.212 1.00 0.00 H new ATOM 0 HD3 LYS A 415 8.229 4.494 -0.911 1.00 0.00 H new ATOM 0 HE2 LYS A 415 7.669 7.469 -0.592 1.00 0.00 H new ATOM 0 HE3 LYS A 415 9.003 6.621 0.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 415 10.167 6.924 -1.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 415 9.058 5.987 -2.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 415 8.845 7.667 -2.440 1.00 0.00 H new ATOM 526 N ASN A 416 6.946 0.996 -1.216 1.00 0.00 N ATOM 527 CA ASN A 416 6.608 -0.376 -0.869 1.00 0.00 C ATOM 528 C ASN A 416 5.132 -0.473 -0.506 1.00 0.00 C ATOM 529 O ASN A 416 4.378 -1.192 -1.136 1.00 0.00 O ATOM 530 CB ASN A 416 7.458 -0.891 0.292 1.00 0.00 C ATOM 531 CG ASN A 416 8.913 -1.121 -0.073 1.00 0.00 C ATOM 532 OD1 ASN A 416 9.650 -0.184 -0.380 1.00 0.00 O ATOM 533 ND2 ASN A 416 9.340 -2.375 -0.035 1.00 0.00 N ATOM 0 H ASN A 416 7.567 1.464 -0.556 1.00 0.00 H new ATOM 0 HA ASN A 416 6.815 -0.998 -1.740 1.00 0.00 H new ATOM 0 HB2 ASN A 416 7.407 -0.176 1.113 1.00 0.00 H new ATOM 0 HB3 ASN A 416 7.032 -1.826 0.656 1.00 0.00 H new ATOM 0 HD21 ASN A 416 10.310 -2.591 -0.265 1.00 0.00 H new ATOM 0 HD22 ASN A 416 8.699 -3.125 0.224 1.00 0.00 H new ATOM 540 N CYS A 417 4.683 0.356 0.405 1.00 0.00 N ATOM 541 CA CYS A 417 3.262 0.429 0.664 1.00 0.00 C ATOM 542 C CYS A 417 2.679 1.546 -0.185 1.00 0.00 C ATOM 543 O CYS A 417 3.195 2.668 -0.176 1.00 0.00 O ATOM 544 CB CYS A 417 2.988 0.656 2.146 1.00 0.00 C ATOM 545 SG CYS A 417 1.327 0.133 2.677 1.00 0.00 S ATOM 0 H CYS A 417 5.263 0.977 0.969 1.00 0.00 H new ATOM 0 HA CYS A 417 2.787 -0.516 0.398 1.00 0.00 H new ATOM 0 HB2 CYS A 417 3.733 0.115 2.730 1.00 0.00 H new ATOM 0 HB3 CYS A 417 3.114 1.715 2.371 1.00 0.00 H new ATOM 550 N GLN A 418 1.710 1.214 -1.027 1.00 0.00 N ATOM 551 CA GLN A 418 1.208 2.167 -2.005 1.00 0.00 C ATOM 552 C GLN A 418 -0.180 1.800 -2.503 1.00 0.00 C ATOM 553 O GLN A 418 -0.603 0.641 -2.435 1.00 0.00 O ATOM 554 CB GLN A 418 2.181 2.293 -3.185 1.00 0.00 C ATOM 555 CG GLN A 418 2.759 0.972 -3.683 1.00 0.00 C ATOM 556 CD GLN A 418 1.773 0.120 -4.455 1.00 0.00 C ATOM 557 OE1 GLN A 418 1.243 0.535 -5.486 1.00 0.00 O ATOM 558 NE2 GLN A 418 1.530 -1.083 -3.966 1.00 0.00 N ATOM 0 H GLN A 418 1.259 0.299 -1.052 1.00 0.00 H new ATOM 0 HA GLN A 418 1.130 3.131 -1.503 1.00 0.00 H new ATOM 0 HB2 GLN A 418 1.666 2.782 -4.012 1.00 0.00 H new ATOM 0 HB3 GLN A 418 3.003 2.945 -2.891 1.00 0.00 H new ATOM 0 HG2 GLN A 418 3.619 1.180 -4.319 1.00 0.00 H new ATOM 0 HG3 GLN A 418 3.125 0.402 -2.829 1.00 0.00 H new ATOM 0 HE21 GLN A 418 1.991 -1.388 -3.108 1.00 0.00 H new ATOM 0 HE22 GLN A 418 0.882 -1.707 -4.446 1.00 0.00 H new ATOM 567 N PHE A 419 -0.897 2.812 -2.968 1.00 0.00 N ATOM 568 CA PHE A 419 -2.243 2.635 -3.480 1.00 0.00 C ATOM 569 C PHE A 419 -2.216 1.723 -4.701 1.00 0.00 C ATOM 570 O PHE A 419 -1.471 1.968 -5.651 1.00 0.00 O ATOM 571 CB PHE A 419 -2.835 3.998 -3.846 1.00 0.00 C ATOM 572 CG PHE A 419 -4.299 3.963 -4.163 1.00 0.00 C ATOM 573 CD1 PHE A 419 -5.201 3.426 -3.263 1.00 0.00 C ATOM 574 CD2 PHE A 419 -4.772 4.477 -5.359 1.00 0.00 C ATOM 575 CE1 PHE A 419 -6.551 3.395 -3.554 1.00 0.00 C ATOM 576 CE2 PHE A 419 -6.119 4.449 -5.655 1.00 0.00 C ATOM 577 CZ PHE A 419 -7.010 3.908 -4.751 1.00 0.00 C ATOM 0 H PHE A 419 -0.562 3.775 -3.000 1.00 0.00 H new ATOM 0 HA PHE A 419 -2.866 2.173 -2.714 1.00 0.00 H new ATOM 0 HB2 PHE A 419 -2.670 4.688 -3.019 1.00 0.00 H new ATOM 0 HB3 PHE A 419 -2.297 4.397 -4.706 1.00 0.00 H new ATOM 0 HD1 PHE A 419 -4.847 3.027 -2.324 1.00 0.00 H new ATOM 0 HD2 PHE A 419 -4.078 4.905 -6.068 1.00 0.00 H new ATOM 0 HE1 PHE A 419 -7.247 2.970 -2.846 1.00 0.00 H new ATOM 0 HE2 PHE A 419 -6.475 4.850 -6.592 1.00 0.00 H new ATOM 0 HZ PHE A 419 -8.065 3.886 -4.979 1.00 0.00 H new ATOM 587 N ASN A 420 -2.969 0.631 -4.641 1.00 0.00 N ATOM 588 CA ASN A 420 -2.959 -0.361 -5.715 1.00 0.00 C ATOM 589 C ASN A 420 -3.672 0.155 -6.964 1.00 0.00 C ATOM 590 O ASN A 420 -3.520 -0.406 -8.049 1.00 0.00 O ATOM 591 CB ASN A 420 -3.572 -1.687 -5.247 1.00 0.00 C ATOM 592 CG ASN A 420 -5.031 -1.583 -4.829 1.00 0.00 C ATOM 593 OD1 ASN A 420 -5.887 -1.115 -5.580 1.00 0.00 O ATOM 594 ND2 ASN A 420 -5.331 -2.058 -3.634 1.00 0.00 N ATOM 0 H ASN A 420 -3.592 0.408 -3.865 1.00 0.00 H new ATOM 0 HA ASN A 420 -1.917 -0.542 -5.980 1.00 0.00 H new ATOM 0 HB2 ASN A 420 -3.487 -2.418 -6.051 1.00 0.00 H new ATOM 0 HB3 ASN A 420 -2.991 -2.067 -4.407 1.00 0.00 H new ATOM 0 HD21 ASN A 420 -6.297 -2.044 -3.308 1.00 0.00 H new ATOM 0 HD22 ASN A 420 -4.596 -2.439 -3.037 1.00 0.00 H new ATOM 601 N SER A 421 -4.409 1.252 -6.805 1.00 0.00 N ATOM 602 CA SER A 421 -5.088 1.915 -7.917 1.00 0.00 C ATOM 603 C SER A 421 -6.180 1.028 -8.521 1.00 0.00 C ATOM 604 O SER A 421 -6.130 0.667 -9.699 1.00 0.00 O ATOM 605 CB SER A 421 -4.075 2.343 -8.992 1.00 0.00 C ATOM 606 OG SER A 421 -4.667 3.212 -9.945 1.00 0.00 O ATOM 0 H SER A 421 -4.553 1.706 -5.903 1.00 0.00 H new ATOM 0 HA SER A 421 -5.573 2.808 -7.523 1.00 0.00 H new ATOM 0 HB2 SER A 421 -3.229 2.842 -8.519 1.00 0.00 H new ATOM 0 HB3 SER A 421 -3.683 1.460 -9.497 1.00 0.00 H new ATOM 0 HG SER A 421 -3.998 3.468 -10.614 1.00 0.00 H new ATOM 612 N THR A 422 -7.186 0.718 -7.708 1.00 0.00 N ATOM 613 CA THR A 422 -8.342 -0.065 -8.145 1.00 0.00 C ATOM 614 C THR A 422 -7.922 -1.463 -8.616 1.00 0.00 C ATOM 615 O THR A 422 -8.661 -2.150 -9.326 1.00 0.00 O ATOM 616 CB THR A 422 -9.122 0.668 -9.263 1.00 0.00 C ATOM 617 OG1 THR A 422 -9.195 2.068 -8.958 1.00 0.00 O ATOM 618 CG2 THR A 422 -10.537 0.124 -9.403 1.00 0.00 C ATOM 0 H THR A 422 -7.225 1.001 -6.729 1.00 0.00 H new ATOM 0 HA THR A 422 -9.001 -0.180 -7.285 1.00 0.00 H new ATOM 0 HB THR A 422 -8.592 0.507 -10.201 1.00 0.00 H new ATOM 0 HG1 THR A 422 -9.687 2.532 -9.667 1.00 0.00 H new ATOM 0 HG21 THR A 422 -11.056 0.661 -10.197 1.00 0.00 H new ATOM 0 HG22 THR A 422 -10.496 -0.937 -9.649 1.00 0.00 H new ATOM 0 HG23 THR A 422 -11.073 0.258 -8.463 1.00 0.00 H new ATOM 626 N LYS A 423 -6.811 -1.943 -8.075 1.00 0.00 N ATOM 627 CA LYS A 423 -6.401 -3.320 -8.290 1.00 0.00 C ATOM 628 C LYS A 423 -7.265 -4.211 -7.416 1.00 0.00 C ATOM 629 O LYS A 423 -7.746 -5.257 -7.846 1.00 0.00 O ATOM 630 CB LYS A 423 -4.922 -3.507 -7.939 1.00 0.00 C ATOM 631 CG LYS A 423 -4.356 -4.863 -8.332 1.00 0.00 C ATOM 632 CD LYS A 423 -2.892 -4.993 -7.933 1.00 0.00 C ATOM 633 CE LYS A 423 -2.716 -4.970 -6.420 1.00 0.00 C ATOM 634 NZ LYS A 423 -1.285 -4.903 -6.022 1.00 0.00 N ATOM 0 H LYS A 423 -6.180 -1.400 -7.486 1.00 0.00 H new ATOM 0 HA LYS A 423 -6.527 -3.583 -9.340 1.00 0.00 H new ATOM 0 HB2 LYS A 423 -4.342 -2.727 -8.431 1.00 0.00 H new ATOM 0 HB3 LYS A 423 -4.794 -3.370 -6.865 1.00 0.00 H new ATOM 0 HG2 LYS A 423 -4.936 -5.653 -7.855 1.00 0.00 H new ATOM 0 HG3 LYS A 423 -4.455 -5.002 -9.409 1.00 0.00 H new ATOM 0 HD2 LYS A 423 -2.487 -5.923 -8.332 1.00 0.00 H new ATOM 0 HD3 LYS A 423 -2.320 -4.179 -8.378 1.00 0.00 H new ATOM 0 HE2 LYS A 423 -3.247 -4.112 -6.007 1.00 0.00 H new ATOM 0 HE3 LYS A 423 -3.170 -5.863 -5.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 -1.211 -4.941 -4.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 -0.772 -5.708 -6.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 -0.870 -4.014 -6.367 1.00 0.00 H new ATOM 648 N ALA A 424 -7.540 -3.713 -6.216 1.00 0.00 N ATOM 649 CA ALA A 424 -8.427 -4.397 -5.291 1.00 0.00 C ATOM 650 C ALA A 424 -9.874 -4.278 -5.748 1.00 0.00 C ATOM 651 O ALA A 424 -10.443 -3.179 -5.780 1.00 0.00 O ATOM 652 CB ALA A 424 -8.272 -3.834 -3.884 1.00 0.00 C ATOM 0 H ALA A 424 -7.159 -2.835 -5.863 1.00 0.00 H new ATOM 0 HA ALA A 424 -8.153 -5.452 -5.276 1.00 0.00 H new ATOM 0 HB1 ALA A 424 -8.945 -4.359 -3.206 1.00 0.00 H new ATOM 0 HB2 ALA A 424 -7.243 -3.967 -3.550 1.00 0.00 H new ATOM 0 HB3 ALA A 424 -8.517 -2.772 -3.888 1.00 0.00 H new