USER MOD reduce.3.24.130724 H: found=0, std=0, add=278, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 281 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 NoAdj-H: A 391 HIS HD1 : A 391 HIS ND1 : A 403 ZNZN :(H bumps) USER MOD Single : A 365 SER OG : rot 180:sc= 0 USER MOD Single : A 366 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 368 ASN : amide:sc= 0.0112 X(o=0.011,f=-0.031) USER MOD Single : A 369 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 371 THR OG1 : rot 180:sc= 0 USER MOD Single : A 374 THR OG1 : rot 180:sc= 0 USER MOD Single : A 378 THR OG1 : rot 180:sc= -0.0732 USER MOD Single : A 384 TYR OH : rot 6:sc= 2.15 USER MOD Single : A 386 SER OG : rot 180:sc= 0.368 USER MOD Single : A 395 THR OG1 : rot 180:sc= 0 USER MOD Single : A 400 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 364 -0.910 -21.771 2.087 1.00 10.97 N ATOM 2 CA GLY A 364 -1.212 -20.848 0.968 1.00 10.49 C ATOM 3 C GLY A 364 -2.238 -21.432 0.023 1.00 9.66 C ATOM 4 O GLY A 364 -1.902 -22.232 -0.849 1.00 9.60 O ATOM 0 HA2 GLY A 364 -1.580 -19.902 1.366 1.00 10.49 H new ATOM 0 HA3 GLY A 364 -0.296 -20.628 0.420 1.00 10.49 H new ATOM 10 N SER A 365 -3.489 -21.030 0.193 1.00 9.23 N ATOM 11 CA SER A 365 -4.580 -21.571 -0.606 1.00 8.58 C ATOM 12 C SER A 365 -4.682 -20.861 -1.953 1.00 8.19 C ATOM 13 O SER A 365 -5.368 -21.333 -2.863 1.00 8.25 O ATOM 14 CB SER A 365 -5.892 -21.447 0.166 1.00 8.72 C ATOM 15 OG SER A 365 -5.803 -22.112 1.417 1.00 9.06 O ATOM 0 H SER A 365 -3.775 -20.330 0.878 1.00 9.23 H new ATOM 0 HA SER A 365 -4.377 -22.624 -0.803 1.00 8.58 H new ATOM 0 HB2 SER A 365 -6.129 -20.395 0.324 1.00 8.72 H new ATOM 0 HB3 SER A 365 -6.706 -21.872 -0.420 1.00 8.72 H new ATOM 0 HG SER A 365 -6.652 -22.020 1.898 1.00 9.06 H new ATOM 21 N LYS A 366 -3.981 -19.729 -2.063 1.00 8.06 N ATOM 22 CA LYS A 366 -3.958 -18.917 -3.282 1.00 8.04 C ATOM 23 C LYS A 366 -5.308 -18.249 -3.526 1.00 7.21 C ATOM 24 O LYS A 366 -6.292 -18.551 -2.847 1.00 7.19 O ATOM 25 CB LYS A 366 -3.547 -19.754 -4.499 1.00 9.14 C ATOM 26 CG LYS A 366 -2.121 -20.278 -4.428 1.00 9.84 C ATOM 27 CD LYS A 366 -1.810 -21.227 -5.576 1.00 10.55 C ATOM 28 CE LYS A 366 -1.901 -20.537 -6.928 1.00 11.43 C ATOM 29 NZ LYS A 366 -1.599 -21.470 -8.046 1.00 12.01 N ATOM 0 H LYS A 366 -3.412 -19.349 -1.307 1.00 8.06 H new ATOM 0 HA LYS A 366 -3.212 -18.135 -3.139 1.00 8.04 H new ATOM 0 HB2 LYS A 366 -4.230 -20.598 -4.596 1.00 9.14 H new ATOM 0 HB3 LYS A 366 -3.658 -19.149 -5.399 1.00 9.14 H new ATOM 0 HG2 LYS A 366 -1.424 -19.440 -4.450 1.00 9.84 H new ATOM 0 HG3 LYS A 366 -1.970 -20.793 -3.479 1.00 9.84 H new ATOM 0 HD2 LYS A 366 -0.809 -21.638 -5.445 1.00 10.55 H new ATOM 0 HD3 LYS A 366 -2.505 -22.067 -5.550 1.00 10.55 H new ATOM 0 HE2 LYS A 366 -2.901 -20.125 -7.059 1.00 11.43 H new ATOM 0 HE3 LYS A 366 -1.205 -19.699 -6.956 1.00 11.43 H new ATOM 0 HZ1 LYS A 366 -1.671 -20.962 -8.951 1.00 12.01 H new ATOM 0 HZ2 LYS A 366 -0.635 -21.844 -7.935 1.00 12.01 H new ATOM 0 HZ3 LYS A 366 -2.279 -22.257 -8.035 1.00 12.01 H new ATOM 43 N GLU A 367 -5.333 -17.326 -4.486 1.00 6.82 N ATOM 44 CA GLU A 367 -6.546 -16.587 -4.835 1.00 6.33 C ATOM 45 C GLU A 367 -7.092 -15.851 -3.614 1.00 5.49 C ATOM 46 O GLU A 367 -8.298 -15.835 -3.359 1.00 5.33 O ATOM 47 CB GLU A 367 -7.609 -17.524 -5.417 1.00 6.67 C ATOM 48 CG GLU A 367 -7.146 -18.284 -6.650 1.00 7.76 C ATOM 49 CD GLU A 367 -6.690 -17.367 -7.766 1.00 8.29 C ATOM 50 OE1 GLU A 367 -7.549 -16.811 -8.479 1.00 8.69 O ATOM 51 OE2 GLU A 367 -5.462 -17.201 -7.941 1.00 8.52 O ATOM 0 H GLU A 367 -4.517 -17.070 -5.042 1.00 6.82 H new ATOM 0 HA GLU A 367 -6.289 -15.852 -5.598 1.00 6.33 H new ATOM 0 HB2 GLU A 367 -7.908 -18.240 -4.651 1.00 6.67 H new ATOM 0 HB3 GLU A 367 -8.494 -16.941 -5.672 1.00 6.67 H new ATOM 0 HG2 GLU A 367 -6.328 -18.950 -6.375 1.00 7.76 H new ATOM 0 HG3 GLU A 367 -7.960 -18.912 -7.011 1.00 7.76 H new ATOM 58 N ASN A 368 -6.187 -15.243 -2.863 1.00 5.31 N ATOM 59 CA ASN A 368 -6.542 -14.539 -1.642 1.00 4.94 C ATOM 60 C ASN A 368 -5.747 -13.252 -1.521 1.00 4.43 C ATOM 61 O ASN A 368 -4.515 -13.266 -1.557 1.00 4.57 O ATOM 62 CB ASN A 368 -6.299 -15.435 -0.420 1.00 5.52 C ATOM 63 CG ASN A 368 -6.395 -14.679 0.893 1.00 5.70 C ATOM 64 OD1 ASN A 368 -5.392 -14.194 1.417 1.00 5.80 O ATOM 65 ND2 ASN A 368 -7.598 -14.574 1.434 1.00 6.18 N ATOM 0 H ASN A 368 -5.191 -15.224 -3.082 1.00 5.31 H new ATOM 0 HA ASN A 368 -7.602 -14.287 -1.683 1.00 4.94 H new ATOM 0 HB2 ASN A 368 -7.026 -16.247 -0.420 1.00 5.52 H new ATOM 0 HB3 ASN A 368 -5.312 -15.891 -0.500 1.00 5.52 H new ATOM 0 HD21 ASN A 368 -7.719 -14.077 2.317 1.00 6.18 H new ATOM 0 HD22 ASN A 368 -8.405 -14.990 0.968 1.00 6.18 H new ATOM 72 N MET A 369 -6.452 -12.139 -1.402 1.00 4.24 N ATOM 73 CA MET A 369 -5.815 -10.840 -1.259 1.00 4.21 C ATOM 74 C MET A 369 -5.890 -10.368 0.186 1.00 3.73 C ATOM 75 O MET A 369 -5.017 -9.639 0.659 1.00 3.81 O ATOM 76 CB MET A 369 -6.476 -9.801 -2.173 1.00 4.95 C ATOM 77 CG MET A 369 -6.204 -10.004 -3.658 1.00 5.74 C ATOM 78 SD MET A 369 -7.005 -11.473 -4.335 1.00 6.64 S ATOM 79 CE MET A 369 -6.479 -11.377 -6.043 1.00 6.99 C ATOM 0 H MET A 369 -7.472 -12.109 -1.402 1.00 4.24 H new ATOM 0 HA MET A 369 -4.770 -10.947 -1.549 1.00 4.21 H new ATOM 0 HB2 MET A 369 -7.553 -9.822 -2.007 1.00 4.95 H new ATOM 0 HB3 MET A 369 -6.129 -8.809 -1.885 1.00 4.95 H new ATOM 0 HG2 MET A 369 -6.546 -9.126 -4.206 1.00 5.74 H new ATOM 0 HG3 MET A 369 -5.128 -10.079 -3.816 1.00 5.74 H new ATOM 0 HE1 MET A 369 -6.892 -12.219 -6.599 1.00 6.99 H new ATOM 0 HE2 MET A 369 -6.833 -10.444 -6.481 1.00 6.99 H new ATOM 0 HE3 MET A 369 -5.391 -11.410 -6.091 1.00 6.99 H new ATOM 89 N ALA A 370 -6.934 -10.793 0.881 1.00 3.73 N ATOM 90 CA ALA A 370 -7.162 -10.377 2.252 1.00 3.72 C ATOM 91 C ALA A 370 -6.375 -11.241 3.229 1.00 2.82 C ATOM 92 O ALA A 370 -6.796 -12.342 3.591 1.00 3.04 O ATOM 93 CB ALA A 370 -8.648 -10.419 2.578 1.00 4.68 C ATOM 0 H ALA A 370 -7.640 -11.430 0.513 1.00 3.73 H new ATOM 0 HA ALA A 370 -6.810 -9.351 2.356 1.00 3.72 H new ATOM 0 HB1 ALA A 370 -8.803 -10.104 3.610 1.00 4.68 H new ATOM 0 HB2 ALA A 370 -9.186 -9.748 1.909 1.00 4.68 H new ATOM 0 HB3 ALA A 370 -9.020 -11.435 2.449 1.00 4.68 H new ATOM 99 N THR A 371 -5.228 -10.733 3.637 1.00 2.51 N ATOM 100 CA THR A 371 -4.395 -11.387 4.629 1.00 2.38 C ATOM 101 C THR A 371 -4.140 -10.417 5.784 1.00 2.34 C ATOM 102 O THR A 371 -3.089 -9.770 5.859 1.00 2.92 O ATOM 103 CB THR A 371 -3.067 -11.891 4.004 1.00 3.20 C ATOM 104 OG1 THR A 371 -2.158 -12.337 5.022 1.00 3.73 O ATOM 105 CG2 THR A 371 -2.406 -10.817 3.147 1.00 3.91 C ATOM 0 H THR A 371 -4.846 -9.853 3.289 1.00 2.51 H new ATOM 0 HA THR A 371 -4.914 -12.266 5.012 1.00 2.38 H new ATOM 0 HB THR A 371 -3.314 -12.734 3.359 1.00 3.20 H new ATOM 0 HG1 THR A 371 -1.329 -12.652 4.605 1.00 3.73 H new ATOM 0 HG21 THR A 371 -1.479 -11.207 2.726 1.00 3.91 H new ATOM 0 HG22 THR A 371 -3.079 -10.531 2.339 1.00 3.91 H new ATOM 0 HG23 THR A 371 -2.187 -9.944 3.762 1.00 3.91 H new ATOM 113 N LEU A 372 -5.138 -10.310 6.669 1.00 2.45 N ATOM 114 CA LEU A 372 -5.164 -9.298 7.735 1.00 3.23 C ATOM 115 C LEU A 372 -5.383 -7.920 7.122 1.00 3.17 C ATOM 116 O LEU A 372 -6.405 -7.272 7.349 1.00 3.84 O ATOM 117 CB LEU A 372 -3.877 -9.304 8.580 1.00 4.21 C ATOM 118 CG LEU A 372 -3.775 -10.395 9.653 1.00 5.23 C ATOM 119 CD1 LEU A 372 -3.801 -11.786 9.039 1.00 5.79 C ATOM 120 CD2 LEU A 372 -2.506 -10.208 10.471 1.00 5.95 C ATOM 0 H LEU A 372 -5.953 -10.924 6.667 1.00 2.45 H new ATOM 0 HA LEU A 372 -5.987 -9.544 8.406 1.00 3.23 H new ATOM 0 HB2 LEU A 372 -3.026 -9.405 7.907 1.00 4.21 H new ATOM 0 HB3 LEU A 372 -3.783 -8.334 9.068 1.00 4.21 H new ATOM 0 HG LEU A 372 -4.642 -10.302 10.307 1.00 5.23 H new ATOM 0 HD11 LEU A 372 -3.727 -12.534 9.829 1.00 5.79 H new ATOM 0 HD12 LEU A 372 -4.734 -11.926 8.494 1.00 5.79 H new ATOM 0 HD13 LEU A 372 -2.960 -11.897 8.354 1.00 5.79 H new ATOM 0 HD21 LEU A 372 -2.444 -10.988 11.230 1.00 5.95 H new ATOM 0 HD22 LEU A 372 -1.638 -10.270 9.815 1.00 5.95 H new ATOM 0 HD23 LEU A 372 -2.526 -9.232 10.955 1.00 5.95 H new ATOM 132 N PHE A 373 -4.418 -7.500 6.324 1.00 2.73 N ATOM 133 CA PHE A 373 -4.509 -6.266 5.571 1.00 2.88 C ATOM 134 C PHE A 373 -5.122 -6.577 4.213 1.00 3.00 C ATOM 135 O PHE A 373 -5.189 -7.742 3.814 1.00 3.30 O ATOM 136 CB PHE A 373 -3.117 -5.664 5.402 1.00 3.13 C ATOM 137 CG PHE A 373 -2.292 -5.683 6.657 1.00 3.28 C ATOM 138 CD1 PHE A 373 -1.480 -6.768 6.944 1.00 3.36 C ATOM 139 CD2 PHE A 373 -2.329 -4.624 7.548 1.00 3.81 C ATOM 140 CE1 PHE A 373 -0.719 -6.799 8.094 1.00 3.64 C ATOM 141 CE2 PHE A 373 -1.568 -4.648 8.702 1.00 4.26 C ATOM 142 CZ PHE A 373 -0.762 -5.737 8.975 1.00 4.05 C ATOM 0 H PHE A 373 -3.546 -8.009 6.181 1.00 2.73 H new ATOM 0 HA PHE A 373 -5.133 -5.544 6.098 1.00 2.88 H new ATOM 0 HB2 PHE A 373 -2.587 -6.211 4.622 1.00 3.13 H new ATOM 0 HB3 PHE A 373 -3.216 -4.634 5.059 1.00 3.13 H new ATOM 0 HD1 PHE A 373 -1.442 -7.601 6.258 1.00 3.36 H new ATOM 0 HD2 PHE A 373 -2.958 -3.771 7.340 1.00 3.81 H new ATOM 0 HE1 PHE A 373 -0.091 -7.652 8.305 1.00 3.64 H new ATOM 0 HE2 PHE A 373 -1.603 -3.816 9.390 1.00 4.26 H new ATOM 0 HZ PHE A 373 -0.167 -5.757 9.876 1.00 4.05 H new ATOM 152 N THR A 374 -5.566 -5.558 3.497 1.00 3.03 N ATOM 153 CA THR A 374 -6.313 -5.790 2.273 1.00 3.49 C ATOM 154 C THR A 374 -5.610 -5.248 1.040 1.00 3.30 C ATOM 155 O THR A 374 -5.426 -5.967 0.058 1.00 3.66 O ATOM 156 CB THR A 374 -7.721 -5.187 2.376 1.00 3.95 C ATOM 157 OG1 THR A 374 -7.647 -3.831 2.835 1.00 3.66 O ATOM 158 CG2 THR A 374 -8.575 -6.004 3.327 1.00 4.50 C ATOM 0 H THR A 374 -5.425 -4.577 3.737 1.00 3.03 H new ATOM 0 HA THR A 374 -6.384 -6.871 2.156 1.00 3.49 H new ATOM 0 HB THR A 374 -8.177 -5.203 1.386 1.00 3.95 H new ATOM 0 HG1 THR A 374 -8.551 -3.456 2.895 1.00 3.66 H new ATOM 0 HG21 THR A 374 -9.571 -5.565 3.390 1.00 4.50 H new ATOM 0 HG22 THR A 374 -8.652 -7.027 2.959 1.00 4.50 H new ATOM 0 HG23 THR A 374 -8.117 -6.008 4.316 1.00 4.50 H new ATOM 166 N ILE A 375 -5.223 -3.987 1.080 1.00 2.90 N ATOM 167 CA ILE A 375 -4.577 -3.364 -0.064 1.00 2.78 C ATOM 168 C ILE A 375 -3.082 -3.653 -0.050 1.00 2.33 C ATOM 169 O ILE A 375 -2.326 -3.081 0.738 1.00 1.93 O ATOM 170 CB ILE A 375 -4.836 -1.845 -0.111 1.00 2.85 C ATOM 171 CG1 ILE A 375 -6.345 -1.588 -0.198 1.00 3.47 C ATOM 172 CG2 ILE A 375 -4.112 -1.213 -1.292 1.00 2.84 C ATOM 173 CD1 ILE A 375 -6.723 -0.132 -0.343 1.00 3.98 C ATOM 0 H ILE A 375 -5.343 -3.375 1.887 1.00 2.90 H new ATOM 0 HA ILE A 375 -5.012 -3.796 -0.965 1.00 2.78 H new ATOM 0 HB ILE A 375 -4.449 -1.388 0.800 1.00 2.85 H new ATOM 0 HG12 ILE A 375 -6.747 -2.141 -1.047 1.00 3.47 H new ATOM 0 HG13 ILE A 375 -6.821 -1.987 0.697 1.00 3.47 H new ATOM 0 HG21 ILE A 375 -4.308 -0.141 -1.307 1.00 2.84 H new ATOM 0 HG22 ILE A 375 -3.040 -1.385 -1.196 1.00 2.84 H new ATOM 0 HG23 ILE A 375 -4.469 -1.660 -2.220 1.00 2.84 H new ATOM 0 HD11 ILE A 375 -7.808 -0.041 -0.397 1.00 3.98 H new ATOM 0 HD12 ILE A 375 -6.355 0.427 0.517 1.00 3.98 H new ATOM 0 HD13 ILE A 375 -6.279 0.270 -1.254 1.00 3.98 H new ATOM 185 N TRP A 376 -2.673 -4.573 -0.911 1.00 2.60 N ATOM 186 CA TRP A 376 -1.290 -5.005 -0.972 1.00 2.50 C ATOM 187 C TRP A 376 -0.456 -4.049 -1.811 1.00 2.39 C ATOM 188 O TRP A 376 -0.651 -3.938 -3.022 1.00 2.84 O ATOM 189 CB TRP A 376 -1.211 -6.419 -1.553 1.00 3.11 C ATOM 190 CG TRP A 376 0.157 -7.030 -1.482 1.00 3.27 C ATOM 191 CD1 TRP A 376 1.202 -6.818 -2.338 1.00 3.53 C ATOM 192 CD2 TRP A 376 0.625 -7.963 -0.502 1.00 3.38 C ATOM 193 NE1 TRP A 376 2.291 -7.552 -1.942 1.00 3.79 N ATOM 194 CE2 TRP A 376 1.960 -8.266 -0.821 1.00 3.72 C ATOM 195 CE3 TRP A 376 0.043 -8.572 0.614 1.00 3.35 C ATOM 196 CZ2 TRP A 376 2.725 -9.148 -0.063 1.00 4.05 C ATOM 197 CZ3 TRP A 376 0.803 -9.448 1.363 1.00 3.67 C ATOM 198 CH2 TRP A 376 2.131 -9.728 1.024 1.00 4.01 C ATOM 0 H TRP A 376 -3.287 -5.036 -1.581 1.00 2.60 H new ATOM 0 HA TRP A 376 -0.887 -5.008 0.041 1.00 2.50 H new ATOM 0 HB2 TRP A 376 -1.913 -7.060 -1.019 1.00 3.11 H new ATOM 0 HB3 TRP A 376 -1.532 -6.392 -2.594 1.00 3.11 H new ATOM 0 HD1 TRP A 376 1.174 -6.168 -3.200 1.00 3.53 H new ATOM 0 HE1 TRP A 376 3.199 -7.564 -2.406 1.00 3.79 H new ATOM 0 HE3 TRP A 376 -0.981 -8.361 0.885 1.00 3.35 H new ATOM 0 HZ2 TRP A 376 3.750 -9.366 -0.324 1.00 4.05 H new ATOM 0 HZ3 TRP A 376 0.364 -9.926 2.226 1.00 3.67 H new ATOM 0 HH2 TRP A 376 2.699 -10.416 1.633 1.00 4.01 H new ATOM 209 N CYS A 377 0.464 -3.349 -1.166 1.00 1.89 N ATOM 210 CA CYS A 377 1.391 -2.499 -1.883 1.00 1.87 C ATOM 211 C CYS A 377 2.576 -3.326 -2.352 1.00 2.35 C ATOM 212 O CYS A 377 3.418 -3.735 -1.552 1.00 2.34 O ATOM 213 CB CYS A 377 1.877 -1.332 -1.017 1.00 1.27 C ATOM 214 SG CYS A 377 3.035 -0.245 -1.884 1.00 1.50 S ATOM 0 H CYS A 377 0.586 -3.355 -0.153 1.00 1.89 H new ATOM 0 HA CYS A 377 0.869 -2.076 -2.742 1.00 1.87 H new ATOM 0 HB2 CYS A 377 1.017 -0.749 -0.687 1.00 1.27 H new ATOM 0 HB3 CYS A 377 2.358 -1.726 -0.122 1.00 1.27 H new ATOM 219 N THR A 378 2.624 -3.576 -3.650 1.00 2.94 N ATOM 220 CA THR A 378 3.698 -4.346 -4.254 1.00 3.52 C ATOM 221 C THR A 378 5.053 -3.688 -4.015 1.00 3.48 C ATOM 222 O THR A 378 6.052 -4.367 -3.778 1.00 3.86 O ATOM 223 CB THR A 378 3.451 -4.503 -5.766 1.00 4.16 C ATOM 224 OG1 THR A 378 2.953 -3.267 -6.302 1.00 4.33 O ATOM 225 CG2 THR A 378 2.456 -5.620 -6.041 1.00 4.41 C ATOM 0 H THR A 378 1.921 -3.251 -4.314 1.00 2.94 H new ATOM 0 HA THR A 378 3.711 -5.330 -3.785 1.00 3.52 H new ATOM 0 HB THR A 378 4.395 -4.759 -6.247 1.00 4.16 H new ATOM 0 HG1 THR A 378 2.798 -3.367 -7.264 1.00 4.33 H new ATOM 0 HG21 THR A 378 2.299 -5.711 -7.116 1.00 4.41 H new ATOM 0 HG22 THR A 378 2.847 -6.560 -5.651 1.00 4.41 H new ATOM 0 HG23 THR A 378 1.508 -5.391 -5.554 1.00 4.41 H new ATOM 233 N LEU A 379 5.068 -2.359 -4.044 1.00 3.11 N ATOM 234 CA LEU A 379 6.284 -1.587 -3.824 1.00 3.12 C ATOM 235 C LEU A 379 6.765 -1.698 -2.377 1.00 2.90 C ATOM 236 O LEU A 379 7.922 -1.409 -2.075 1.00 3.23 O ATOM 237 CB LEU A 379 6.063 -0.116 -4.186 1.00 2.85 C ATOM 238 CG LEU A 379 5.937 0.172 -5.684 1.00 3.33 C ATOM 239 CD1 LEU A 379 4.657 -0.411 -6.246 1.00 3.73 C ATOM 240 CD2 LEU A 379 6.005 1.665 -5.945 1.00 3.32 C ATOM 0 H LEU A 379 4.240 -1.790 -4.220 1.00 3.11 H new ATOM 0 HA LEU A 379 7.055 -2.003 -4.473 1.00 3.12 H new ATOM 0 HB2 LEU A 379 5.159 0.233 -3.687 1.00 2.85 H new ATOM 0 HB3 LEU A 379 6.892 0.469 -3.788 1.00 2.85 H new ATOM 0 HG LEU A 379 6.774 -0.307 -6.192 1.00 3.33 H new ATOM 0 HD11 LEU A 379 4.594 -0.191 -7.312 1.00 3.73 H new ATOM 0 HD12 LEU A 379 4.653 -1.491 -6.097 1.00 3.73 H new ATOM 0 HD13 LEU A 379 3.801 0.029 -5.734 1.00 3.73 H new ATOM 0 HD21 LEU A 379 5.914 1.852 -7.015 1.00 3.32 H new ATOM 0 HD22 LEU A 379 5.191 2.164 -5.419 1.00 3.32 H new ATOM 0 HD23 LEU A 379 6.959 2.054 -5.589 1.00 3.32 H new ATOM 252 N CYS A 380 5.872 -2.101 -1.482 1.00 2.49 N ATOM 253 CA CYS A 380 6.235 -2.307 -0.086 1.00 2.51 C ATOM 254 C CYS A 380 6.340 -3.791 0.239 1.00 2.94 C ATOM 255 O CYS A 380 6.814 -4.173 1.308 1.00 3.19 O ATOM 256 CB CYS A 380 5.212 -1.646 0.838 1.00 1.96 C ATOM 257 SG CYS A 380 5.416 0.135 1.017 1.00 1.82 S ATOM 0 H CYS A 380 4.893 -2.291 -1.697 1.00 2.49 H new ATOM 0 HA CYS A 380 7.210 -1.847 0.075 1.00 2.51 H new ATOM 0 HB2 CYS A 380 4.211 -1.849 0.457 1.00 1.96 H new ATOM 0 HB3 CYS A 380 5.278 -2.108 1.823 1.00 1.96 H new ATOM 262 N ASP A 381 5.875 -4.614 -0.700 1.00 3.16 N ATOM 263 CA ASP A 381 5.870 -6.072 -0.560 1.00 3.64 C ATOM 264 C ASP A 381 5.068 -6.494 0.671 1.00 3.40 C ATOM 265 O ASP A 381 5.292 -7.557 1.246 1.00 3.81 O ATOM 266 CB ASP A 381 7.301 -6.613 -0.486 1.00 4.29 C ATOM 267 CG ASP A 381 7.398 -8.055 -0.936 1.00 4.85 C ATOM 268 OD1 ASP A 381 7.225 -8.310 -2.147 1.00 4.47 O ATOM 269 OD2 ASP A 381 7.663 -8.937 -0.093 1.00 5.79 O ATOM 0 H ASP A 381 5.488 -4.287 -1.585 1.00 3.16 H new ATOM 0 HA ASP A 381 5.390 -6.498 -1.441 1.00 3.64 H new ATOM 0 HB2 ASP A 381 7.952 -5.997 -1.107 1.00 4.29 H new ATOM 0 HB3 ASP A 381 7.665 -6.530 0.538 1.00 4.29 H new ATOM 274 N ARG A 382 4.126 -5.645 1.060 1.00 2.80 N ATOM 275 CA ARG A 382 3.272 -5.898 2.211 1.00 2.63 C ATOM 276 C ARG A 382 1.974 -5.119 2.046 1.00 2.07 C ATOM 277 O ARG A 382 1.930 -4.126 1.314 1.00 1.71 O ATOM 278 CB ARG A 382 3.978 -5.502 3.518 1.00 2.81 C ATOM 279 CG ARG A 382 4.201 -4.005 3.675 1.00 2.50 C ATOM 280 CD ARG A 382 4.891 -3.672 4.990 1.00 2.97 C ATOM 281 NE ARG A 382 5.008 -2.227 5.193 1.00 3.24 N ATOM 282 CZ ARG A 382 5.648 -1.658 6.217 1.00 3.71 C ATOM 283 NH1 ARG A 382 6.259 -2.404 7.128 1.00 3.88 N ATOM 284 NH2 ARG A 382 5.678 -0.337 6.321 1.00 4.27 N ATOM 0 H ARG A 382 3.933 -4.762 0.586 1.00 2.80 H new ATOM 0 HA ARG A 382 3.053 -6.964 2.266 1.00 2.63 H new ATOM 0 HB2 ARG A 382 3.387 -5.861 4.361 1.00 2.81 H new ATOM 0 HB3 ARG A 382 4.942 -6.009 3.566 1.00 2.81 H new ATOM 0 HG2 ARG A 382 4.804 -3.638 2.845 1.00 2.50 H new ATOM 0 HG3 ARG A 382 3.243 -3.488 3.626 1.00 2.50 H new ATOM 0 HD2 ARG A 382 4.331 -4.111 5.816 1.00 2.97 H new ATOM 0 HD3 ARG A 382 5.884 -4.122 5.004 1.00 2.97 H new ATOM 0 HE ARG A 382 4.571 -1.613 4.505 1.00 3.24 H new ATOM 0 HH11 ARG A 382 6.242 -3.421 7.049 1.00 3.88 H new ATOM 0 HH12 ARG A 382 6.746 -1.961 7.907 1.00 3.88 H new ATOM 0 HH21 ARG A 382 5.213 0.240 5.620 1.00 4.27 H new ATOM 0 HH22 ARG A 382 6.166 0.102 7.102 1.00 4.27 H new ATOM 298 N ALA A 383 0.922 -5.566 2.709 1.00 2.12 N ATOM 299 CA ALA A 383 -0.386 -4.951 2.552 1.00 1.86 C ATOM 300 C ALA A 383 -0.710 -4.009 3.701 1.00 1.87 C ATOM 301 O ALA A 383 -0.095 -4.069 4.768 1.00 2.20 O ATOM 302 CB ALA A 383 -1.455 -6.025 2.424 1.00 2.24 C ATOM 0 H ALA A 383 0.947 -6.351 3.360 1.00 2.12 H new ATOM 0 HA ALA A 383 -0.367 -4.354 1.640 1.00 1.86 H new ATOM 0 HB1 ALA A 383 -2.431 -5.555 2.307 1.00 2.24 H new ATOM 0 HB2 ALA A 383 -1.245 -6.646 1.553 1.00 2.24 H new ATOM 0 HB3 ALA A 383 -1.457 -6.645 3.320 1.00 2.24 H new ATOM 308 N TYR A 384 -1.679 -3.137 3.465 1.00 1.86 N ATOM 309 CA TYR A 384 -2.118 -2.168 4.458 1.00 2.28 C ATOM 310 C TYR A 384 -3.637 -2.240 4.605 1.00 2.69 C ATOM 311 O TYR A 384 -4.309 -2.815 3.738 1.00 2.63 O ATOM 312 CB TYR A 384 -1.687 -0.751 4.049 1.00 2.27 C ATOM 313 CG TYR A 384 -0.187 -0.557 3.981 1.00 2.04 C ATOM 314 CD1 TYR A 384 0.510 -0.819 2.809 1.00 2.37 C ATOM 315 CD2 TYR A 384 0.531 -0.108 5.083 1.00 2.15 C ATOM 316 CE1 TYR A 384 1.878 -0.638 2.736 1.00 2.31 C ATOM 317 CE2 TYR A 384 1.899 0.074 5.018 1.00 2.34 C ATOM 318 CZ TYR A 384 2.571 -0.206 3.868 1.00 2.17 C ATOM 319 OH TYR A 384 3.930 -0.002 3.766 1.00 2.46 O ATOM 0 H TYR A 384 -2.183 -3.081 2.580 1.00 1.86 H new ATOM 0 HA TYR A 384 -1.655 -2.403 5.416 1.00 2.28 H new ATOM 0 HB2 TYR A 384 -2.117 -0.519 3.075 1.00 2.27 H new ATOM 0 HB3 TYR A 384 -2.103 -0.037 4.760 1.00 2.27 H new ATOM 0 HD1 TYR A 384 -0.026 -1.170 1.940 1.00 2.37 H new ATOM 0 HD2 TYR A 384 0.011 0.102 6.006 1.00 2.15 H new ATOM 0 HE1 TYR A 384 2.405 -0.829 1.813 1.00 2.31 H new ATOM 0 HE2 TYR A 384 2.436 0.439 5.881 1.00 2.34 H new ATOM 0 HH TYR A 384 4.208 -0.112 2.833 1.00 2.46 H new ATOM 329 N PRO A 385 -4.209 -1.702 5.696 1.00 3.25 N ATOM 330 CA PRO A 385 -5.664 -1.676 5.878 1.00 3.72 C ATOM 331 C PRO A 385 -6.339 -0.884 4.763 1.00 3.86 C ATOM 332 O PRO A 385 -7.337 -1.317 4.184 1.00 4.19 O ATOM 333 CB PRO A 385 -5.859 -0.983 7.233 1.00 4.33 C ATOM 334 CG PRO A 385 -4.541 -1.102 7.922 1.00 4.36 C ATOM 335 CD PRO A 385 -3.503 -1.094 6.837 1.00 3.62 C ATOM 0 HA PRO A 385 -6.105 -2.672 5.849 1.00 3.72 H new ATOM 0 HB2 PRO A 385 -6.144 0.061 7.105 1.00 4.33 H new ATOM 0 HB3 PRO A 385 -6.650 -1.461 7.810 1.00 4.33 H new ATOM 0 HG2 PRO A 385 -4.387 -0.275 8.615 1.00 4.36 H new ATOM 0 HG3 PRO A 385 -4.488 -2.021 8.506 1.00 4.36 H new ATOM 0 HD2 PRO A 385 -3.165 -0.083 6.610 1.00 3.62 H new ATOM 0 HD3 PRO A 385 -2.621 -1.669 7.118 1.00 3.62 H new ATOM 343 N SER A 386 -5.774 0.274 4.468 1.00 3.73 N ATOM 344 CA SER A 386 -6.218 1.082 3.353 1.00 3.96 C ATOM 345 C SER A 386 -5.077 1.186 2.342 1.00 3.45 C ATOM 346 O SER A 386 -4.178 0.346 2.340 1.00 2.87 O ATOM 347 CB SER A 386 -6.654 2.470 3.847 1.00 4.60 C ATOM 348 OG SER A 386 -7.351 3.186 2.837 1.00 5.22 O ATOM 0 H SER A 386 -4.998 0.676 4.994 1.00 3.73 H new ATOM 0 HA SER A 386 -7.080 0.620 2.871 1.00 3.96 H new ATOM 0 HB2 SER A 386 -7.292 2.361 4.724 1.00 4.60 H new ATOM 0 HB3 SER A 386 -5.778 3.038 4.159 1.00 4.60 H new ATOM 0 HG SER A 386 -7.616 4.064 3.182 1.00 5.22 H new ATOM 354 N ASP A 387 -5.117 2.196 1.485 1.00 3.74 N ATOM 355 CA ASP A 387 -4.063 2.406 0.496 1.00 3.41 C ATOM 356 C ASP A 387 -2.733 2.677 1.190 1.00 3.00 C ATOM 357 O ASP A 387 -2.705 3.155 2.328 1.00 3.29 O ATOM 358 CB ASP A 387 -4.414 3.580 -0.423 1.00 3.99 C ATOM 359 CG ASP A 387 -5.670 3.336 -1.235 1.00 4.53 C ATOM 360 OD1 ASP A 387 -5.567 2.752 -2.337 1.00 5.09 O ATOM 361 OD2 ASP A 387 -6.766 3.715 -0.775 1.00 4.59 O ATOM 0 H ASP A 387 -5.868 2.885 1.453 1.00 3.74 H new ATOM 0 HA ASP A 387 -3.974 1.501 -0.106 1.00 3.41 H new ATOM 0 HB2 ASP A 387 -4.545 4.480 0.178 1.00 3.99 H new ATOM 0 HB3 ASP A 387 -3.580 3.768 -1.100 1.00 3.99 H new ATOM 366 N CYS A 388 -1.633 2.362 0.515 1.00 2.47 N ATOM 367 CA CYS A 388 -0.312 2.605 1.069 1.00 2.15 C ATOM 368 C CYS A 388 -0.110 4.098 1.304 1.00 2.66 C ATOM 369 O CYS A 388 -0.351 4.912 0.413 1.00 2.92 O ATOM 370 CB CYS A 388 0.782 2.073 0.136 1.00 1.60 C ATOM 371 SG CYS A 388 2.456 2.433 0.724 1.00 1.51 S ATOM 0 H CYS A 388 -1.633 1.939 -0.413 1.00 2.47 H new ATOM 0 HA CYS A 388 -0.240 2.076 2.019 1.00 2.15 H new ATOM 0 HB2 CYS A 388 0.666 0.995 0.028 1.00 1.60 H new ATOM 0 HB3 CYS A 388 0.650 2.509 -0.854 1.00 1.60 H new ATOM 376 N PRO A 389 0.349 4.468 2.515 1.00 2.96 N ATOM 377 CA PRO A 389 0.501 5.869 2.932 1.00 3.57 C ATOM 378 C PRO A 389 1.387 6.683 1.995 1.00 3.52 C ATOM 379 O PRO A 389 1.273 7.904 1.929 1.00 4.04 O ATOM 380 CB PRO A 389 1.147 5.772 4.324 1.00 3.90 C ATOM 381 CG PRO A 389 1.680 4.385 4.414 1.00 3.60 C ATOM 382 CD PRO A 389 0.761 3.541 3.582 1.00 2.92 C ATOM 0 HA PRO A 389 -0.459 6.385 2.924 1.00 3.57 H new ATOM 0 HB2 PRO A 389 1.943 6.508 4.440 1.00 3.90 H new ATOM 0 HB3 PRO A 389 0.417 5.965 5.111 1.00 3.90 H new ATOM 0 HG2 PRO A 389 2.703 4.334 4.041 1.00 3.60 H new ATOM 0 HG3 PRO A 389 1.700 4.040 5.448 1.00 3.60 H new ATOM 0 HD2 PRO A 389 1.268 2.663 3.182 1.00 2.92 H new ATOM 0 HD3 PRO A 389 -0.092 3.182 4.158 1.00 2.92 H new ATOM 390 N GLU A 390 2.260 6.004 1.265 1.00 3.00 N ATOM 391 CA GLU A 390 3.201 6.684 0.389 1.00 3.02 C ATOM 392 C GLU A 390 2.918 6.375 -1.081 1.00 2.79 C ATOM 393 O GLU A 390 2.885 7.275 -1.918 1.00 3.12 O ATOM 394 CB GLU A 390 4.625 6.264 0.742 1.00 2.87 C ATOM 395 CG GLU A 390 5.701 7.051 0.016 1.00 3.42 C ATOM 396 CD GLU A 390 7.091 6.534 0.316 1.00 3.53 C ATOM 397 OE1 GLU A 390 7.431 6.375 1.508 1.00 3.63 O ATOM 398 OE2 GLU A 390 7.856 6.292 -0.637 1.00 3.98 O ATOM 0 H GLU A 390 2.336 4.987 1.262 1.00 3.00 H new ATOM 0 HA GLU A 390 3.086 7.758 0.535 1.00 3.02 H new ATOM 0 HB2 GLU A 390 4.770 6.377 1.816 1.00 2.87 H new ATOM 0 HB3 GLU A 390 4.747 5.205 0.513 1.00 2.87 H new ATOM 0 HG2 GLU A 390 5.522 7.002 -1.058 1.00 3.42 H new ATOM 0 HG3 GLU A 390 5.636 8.101 0.303 1.00 3.42 H new ATOM 405 N HIS A 391 2.714 5.102 -1.390 1.00 2.46 N ATOM 406 CA HIS A 391 2.586 4.669 -2.781 1.00 2.55 C ATOM 407 C HIS A 391 1.128 4.610 -3.227 1.00 2.98 C ATOM 408 O HIS A 391 0.843 4.478 -4.419 1.00 3.51 O ATOM 409 CB HIS A 391 3.231 3.293 -2.971 1.00 2.20 C ATOM 410 CG HIS A 391 4.684 3.245 -2.611 1.00 2.05 C ATOM 411 ND1 HIS A 391 5.126 2.523 -1.535 1.00 1.77 N ATOM 412 CD2 HIS A 391 5.747 3.825 -3.219 1.00 2.40 C ATOM 413 CE1 HIS A 391 6.437 2.671 -1.504 1.00 2.10 C ATOM 414 NE2 HIS A 391 6.861 3.456 -2.508 1.00 2.43 N ATOM 0 H HIS A 391 2.633 4.352 -0.703 1.00 2.46 H new ATOM 0 HA HIS A 391 3.100 5.407 -3.397 1.00 2.55 H new ATOM 0 HB2 HIS A 391 2.693 2.564 -2.365 1.00 2.20 H new ATOM 0 HB3 HIS A 391 3.115 2.990 -4.011 1.00 2.20 H new ATOM 0 HD2 HIS A 391 5.722 4.456 -4.095 1.00 2.40 H new ATOM 0 HE1 HIS A 391 7.085 2.220 -0.767 1.00 2.10 H new ATOM 0 HE2 HIS A 391 7.825 3.726 -2.704 1.00 2.43 H new ATOM 422 N GLY A 392 0.210 4.708 -2.278 1.00 2.94 N ATOM 423 CA GLY A 392 -1.195 4.576 -2.598 1.00 3.41 C ATOM 424 C GLY A 392 -1.926 5.901 -2.542 1.00 3.36 C ATOM 425 O GLY A 392 -1.463 6.835 -1.881 1.00 3.30 O ATOM 0 H GLY A 392 0.413 4.876 -1.293 1.00 2.94 H new ATOM 0 HA2 GLY A 392 -1.299 4.148 -3.595 1.00 3.41 H new ATOM 0 HA3 GLY A 392 -1.660 3.878 -1.902 1.00 3.41 H new ATOM 429 N PRO A 393 -3.075 6.016 -3.229 1.00 3.77 N ATOM 430 CA PRO A 393 -3.865 7.248 -3.263 1.00 4.00 C ATOM 431 C PRO A 393 -4.627 7.485 -1.963 1.00 3.65 C ATOM 432 O PRO A 393 -5.820 7.188 -1.859 1.00 3.97 O ATOM 433 CB PRO A 393 -4.853 7.028 -4.422 1.00 4.78 C ATOM 434 CG PRO A 393 -4.456 5.739 -5.068 1.00 5.05 C ATOM 435 CD PRO A 393 -3.697 4.960 -4.034 1.00 4.39 C ATOM 0 HA PRO A 393 -3.229 8.124 -3.392 1.00 4.00 H new ATOM 0 HB2 PRO A 393 -5.879 6.981 -4.056 1.00 4.78 H new ATOM 0 HB3 PRO A 393 -4.807 7.851 -5.135 1.00 4.78 H new ATOM 0 HG2 PRO A 393 -5.334 5.186 -5.403 1.00 5.05 H new ATOM 0 HG3 PRO A 393 -3.839 5.920 -5.948 1.00 5.05 H new ATOM 0 HD2 PRO A 393 -4.356 4.330 -3.437 1.00 4.39 H new ATOM 0 HD3 PRO A 393 -2.953 4.304 -4.486 1.00 4.39 H new ATOM 443 N VAL A 394 -3.936 8.018 -0.975 1.00 3.51 N ATOM 444 CA VAL A 394 -4.551 8.326 0.304 1.00 3.72 C ATOM 445 C VAL A 394 -4.250 9.767 0.706 1.00 3.98 C ATOM 446 O VAL A 394 -3.096 10.190 0.749 1.00 4.76 O ATOM 447 CB VAL A 394 -4.093 7.344 1.413 1.00 4.22 C ATOM 448 CG1 VAL A 394 -2.578 7.310 1.535 1.00 4.46 C ATOM 449 CG2 VAL A 394 -4.729 7.702 2.748 1.00 4.69 C ATOM 0 H VAL A 394 -2.944 8.248 -1.032 1.00 3.51 H new ATOM 0 HA VAL A 394 -5.629 8.210 0.189 1.00 3.72 H new ATOM 0 HB VAL A 394 -4.427 6.346 1.127 1.00 4.22 H new ATOM 0 HG11 VAL A 394 -2.292 6.612 2.321 1.00 4.46 H new ATOM 0 HG12 VAL A 394 -2.144 6.988 0.588 1.00 4.46 H new ATOM 0 HG13 VAL A 394 -2.210 8.306 1.783 1.00 4.46 H new ATOM 0 HG21 VAL A 394 -4.393 7.000 3.511 1.00 4.69 H new ATOM 0 HG22 VAL A 394 -4.436 8.713 3.031 1.00 4.69 H new ATOM 0 HG23 VAL A 394 -5.814 7.650 2.660 1.00 4.69 H new ATOM 459 N THR A 395 -5.305 10.522 0.962 1.00 3.71 N ATOM 460 CA THR A 395 -5.177 11.904 1.386 1.00 4.37 C ATOM 461 C THR A 395 -5.358 12.004 2.894 1.00 4.14 C ATOM 462 O THR A 395 -4.634 12.728 3.582 1.00 4.55 O ATOM 463 CB THR A 395 -6.232 12.788 0.696 1.00 4.99 C ATOM 464 OG1 THR A 395 -6.252 12.518 -0.713 1.00 5.13 O ATOM 465 CG2 THR A 395 -5.941 14.263 0.924 1.00 5.72 C ATOM 0 H THR A 395 -6.268 10.196 0.882 1.00 3.71 H new ATOM 0 HA THR A 395 -4.183 12.252 1.107 1.00 4.37 H new ATOM 0 HB THR A 395 -7.205 12.554 1.129 1.00 4.99 H new ATOM 0 HG1 THR A 395 -6.927 13.083 -1.145 1.00 5.13 H new ATOM 0 HG21 THR A 395 -6.701 14.865 0.426 1.00 5.72 H new ATOM 0 HG22 THR A 395 -5.953 14.475 1.993 1.00 5.72 H new ATOM 0 HG23 THR A 395 -4.960 14.508 0.516 1.00 5.72 H new ATOM 473 N PHE A 396 -6.322 11.251 3.399 1.00 3.97 N ATOM 474 CA PHE A 396 -6.663 11.276 4.807 1.00 4.15 C ATOM 475 C PHE A 396 -6.953 9.864 5.298 1.00 4.04 C ATOM 476 O PHE A 396 -7.757 9.145 4.703 1.00 4.16 O ATOM 477 CB PHE A 396 -7.880 12.178 5.027 1.00 4.81 C ATOM 478 CG PHE A 396 -8.311 12.300 6.463 1.00 5.16 C ATOM 479 CD1 PHE A 396 -9.219 11.405 7.003 1.00 5.38 C ATOM 480 CD2 PHE A 396 -7.803 13.305 7.272 1.00 5.72 C ATOM 481 CE1 PHE A 396 -9.614 11.511 8.323 1.00 6.07 C ATOM 482 CE2 PHE A 396 -8.194 13.414 8.591 1.00 6.40 C ATOM 483 CZ PHE A 396 -9.114 12.533 9.112 1.00 6.54 C ATOM 0 H PHE A 396 -6.887 10.608 2.844 1.00 3.97 H new ATOM 0 HA PHE A 396 -5.822 11.674 5.374 1.00 4.15 H new ATOM 0 HB2 PHE A 396 -7.654 13.173 4.642 1.00 4.81 H new ATOM 0 HB3 PHE A 396 -8.714 11.791 4.441 1.00 4.81 H new ATOM 0 HD1 PHE A 396 -9.623 10.616 6.386 1.00 5.38 H new ATOM 0 HD2 PHE A 396 -7.093 14.010 6.865 1.00 5.72 H new ATOM 0 HE1 PHE A 396 -10.311 10.798 8.738 1.00 6.07 H new ATOM 0 HE2 PHE A 396 -7.778 14.191 9.215 1.00 6.40 H new ATOM 0 HZ PHE A 396 -9.445 12.639 10.134 1.00 6.54 H new ATOM 493 N VAL A 397 -6.289 9.467 6.369 1.00 4.36 N ATOM 494 CA VAL A 397 -6.535 8.168 6.974 1.00 4.90 C ATOM 495 C VAL A 397 -7.300 8.342 8.288 1.00 5.50 C ATOM 496 O VAL A 397 -6.858 9.057 9.191 1.00 5.82 O ATOM 497 CB VAL A 397 -5.218 7.378 7.197 1.00 5.50 C ATOM 498 CG1 VAL A 397 -4.235 8.159 8.057 1.00 5.77 C ATOM 499 CG2 VAL A 397 -5.503 6.011 7.803 1.00 6.17 C ATOM 0 H VAL A 397 -5.575 10.024 6.838 1.00 4.36 H new ATOM 0 HA VAL A 397 -7.144 7.583 6.285 1.00 4.90 H new ATOM 0 HB VAL A 397 -4.754 7.230 6.222 1.00 5.50 H new ATOM 0 HG11 VAL A 397 -3.325 7.574 8.192 1.00 5.77 H new ATOM 0 HG12 VAL A 397 -3.992 9.102 7.567 1.00 5.77 H new ATOM 0 HG13 VAL A 397 -4.683 8.361 9.030 1.00 5.77 H new ATOM 0 HG21 VAL A 397 -4.565 5.476 7.950 1.00 6.17 H new ATOM 0 HG22 VAL A 397 -6.004 6.136 8.763 1.00 6.17 H new ATOM 0 HG23 VAL A 397 -6.144 5.441 7.130 1.00 6.17 H new ATOM 509 N PRO A 398 -8.489 7.724 8.390 1.00 5.97 N ATOM 510 CA PRO A 398 -9.360 7.866 9.562 1.00 6.86 C ATOM 511 C PRO A 398 -8.805 7.174 10.803 1.00 7.67 C ATOM 512 O PRO A 398 -7.988 6.256 10.710 1.00 8.36 O ATOM 513 CB PRO A 398 -10.663 7.200 9.122 1.00 7.35 C ATOM 514 CG PRO A 398 -10.257 6.226 8.072 1.00 6.95 C ATOM 515 CD PRO A 398 -9.082 6.843 7.365 1.00 6.01 C ATOM 0 HA PRO A 398 -9.471 8.911 9.852 1.00 6.86 H new ATOM 0 HB2 PRO A 398 -11.153 6.700 9.957 1.00 7.35 H new ATOM 0 HB3 PRO A 398 -11.369 7.932 8.730 1.00 7.35 H new ATOM 0 HG2 PRO A 398 -9.987 5.267 8.513 1.00 6.95 H new ATOM 0 HG3 PRO A 398 -11.075 6.038 7.377 1.00 6.95 H new ATOM 0 HD2 PRO A 398 -8.374 6.086 7.027 1.00 6.01 H new ATOM 0 HD3 PRO A 398 -9.393 7.404 6.484 1.00 6.01 H new ATOM 523 N ASP A 399 -9.265 7.617 11.964 1.00 7.83 N ATOM 524 CA ASP A 399 -8.831 7.062 13.236 1.00 8.78 C ATOM 525 C ASP A 399 -10.037 6.830 14.134 1.00 9.15 C ATOM 526 O ASP A 399 -11.097 7.423 13.924 1.00 9.38 O ATOM 527 CB ASP A 399 -7.831 8.000 13.928 1.00 9.18 C ATOM 528 CG ASP A 399 -8.469 9.292 14.405 1.00 9.69 C ATOM 529 OD1 ASP A 399 -8.817 10.141 13.557 1.00 9.49 O ATOM 530 OD2 ASP A 399 -8.623 9.469 15.632 1.00 10.47 O ATOM 0 H ASP A 399 -9.948 8.370 12.050 1.00 7.83 H new ATOM 0 HA ASP A 399 -8.333 6.111 13.048 1.00 8.78 H new ATOM 0 HB2 ASP A 399 -7.385 7.485 14.779 1.00 9.18 H new ATOM 0 HB3 ASP A 399 -7.021 8.234 13.237 1.00 9.18 H new ATOM 535 N THR A 400 -9.878 5.967 15.121 1.00 9.46 N ATOM 536 CA THR A 400 -10.966 5.618 16.017 1.00 10.09 C ATOM 537 C THR A 400 -10.679 6.112 17.436 1.00 10.99 C ATOM 538 O THR A 400 -9.588 5.892 17.967 1.00 11.20 O ATOM 539 CB THR A 400 -11.181 4.090 16.037 1.00 10.16 C ATOM 540 OG1 THR A 400 -11.253 3.595 14.692 1.00 9.95 O ATOM 541 CG2 THR A 400 -12.458 3.725 16.780 1.00 10.17 C ATOM 0 H THR A 400 -8.999 5.492 15.323 1.00 9.46 H new ATOM 0 HA THR A 400 -11.871 6.102 15.650 1.00 10.09 H new ATOM 0 HB THR A 400 -10.338 3.634 16.556 1.00 10.16 H new ATOM 0 HG1 THR A 400 -11.388 2.624 14.707 1.00 9.95 H new ATOM 0 HG21 THR A 400 -12.583 2.642 16.778 1.00 10.17 H new ATOM 0 HG22 THR A 400 -12.395 4.081 17.808 1.00 10.17 H new ATOM 0 HG23 THR A 400 -13.312 4.190 16.287 1.00 10.17 H new ATOM 549 N PRO A 401 -11.645 6.809 18.059 1.00 11.70 N ATOM 550 CA PRO A 401 -11.516 7.288 19.438 1.00 12.73 C ATOM 551 C PRO A 401 -11.698 6.163 20.460 1.00 13.37 C ATOM 552 O PRO A 401 -12.719 6.084 21.148 1.00 13.87 O ATOM 553 CB PRO A 401 -12.640 8.316 19.559 1.00 13.30 C ATOM 554 CG PRO A 401 -13.676 7.863 18.590 1.00 12.82 C ATOM 555 CD PRO A 401 -12.935 7.202 17.458 1.00 11.73 C ATOM 0 HA PRO A 401 -10.526 7.697 19.642 1.00 12.73 H new ATOM 0 HB2 PRO A 401 -13.036 8.351 20.574 1.00 13.30 H new ATOM 0 HB3 PRO A 401 -12.286 9.319 19.320 1.00 13.30 H new ATOM 0 HG2 PRO A 401 -14.370 7.166 19.060 1.00 12.82 H new ATOM 0 HG3 PRO A 401 -14.266 8.706 18.229 1.00 12.82 H new ATOM 0 HD2 PRO A 401 -13.478 6.337 17.076 1.00 11.73 H new ATOM 0 HD3 PRO A 401 -12.794 7.885 16.620 1.00 11.73 H new ATOM 563 N ILE A 402 -10.708 5.288 20.543 1.00 13.49 N ATOM 564 CA ILE A 402 -10.741 4.182 21.485 1.00 14.27 C ATOM 565 C ILE A 402 -9.829 4.451 22.678 1.00 14.82 C ATOM 566 O ILE A 402 -8.632 4.114 22.616 1.00 15.17 O ATOM 567 CB ILE A 402 -10.382 2.827 20.821 1.00 14.27 C ATOM 568 CG1 ILE A 402 -9.578 3.012 19.520 1.00 14.67 C ATOM 569 CG2 ILE A 402 -11.646 2.030 20.546 1.00 14.20 C ATOM 570 CD1 ILE A 402 -8.132 3.407 19.719 1.00 15.06 C ATOM 571 OXT ILE A 402 -10.315 5.027 23.674 1.00 15.02 O ATOM 0 H ILE A 402 -9.868 5.324 19.966 1.00 13.49 H new ATOM 0 HA ILE A 402 -11.769 4.105 21.840 1.00 14.27 H new ATOM 0 HB ILE A 402 -9.749 2.279 21.519 1.00 14.27 H new ATOM 0 HG12 ILE A 402 -9.611 2.081 18.954 1.00 14.67 H new ATOM 0 HG13 ILE A 402 -10.067 3.773 18.912 1.00 14.67 H new ATOM 0 HG21 ILE A 402 -11.383 1.080 20.080 1.00 14.20 H new ATOM 0 HG22 ILE A 402 -12.169 1.841 21.484 1.00 14.20 H new ATOM 0 HG23 ILE A 402 -12.294 2.596 19.877 1.00 14.20 H new ATOM 0 HD11 ILE A 402 -7.647 3.514 18.749 1.00 15.06 H new ATOM 0 HD12 ILE A 402 -8.084 4.355 20.255 1.00 15.06 H new ATOM 0 HD13 ILE A 402 -7.621 2.637 20.297 1.00 15.06 H new TER 583 ILE A 402 HETATM 584 ZN ZN A 403 4.040 1.246 -0.449 1.00 1.27 ZN