USER MOD reduce.3.24.130724 H: found=0, std=0, add=296, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 295 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 323 GLN : amide:sc= -0.0404 X(o=-0.04,f=-0.25) USER MOD Single : A 327 SER OG : rot 180:sc= 0 USER MOD Single : A 329 TYR OH : rot 27:sc= 0.687 USER MOD Single : A 335 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 336 HIS : no HD1:sc= -0.0146 X(o=-0.015,f=-0.0019) USER MOD Single : A 339 THR OG1 : rot 180:sc= 0 USER MOD Single : A 344 MET CE :methyl 153:sc= -0.454 (180deg=-0.755) USER MOD Single : A 346 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 349 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 315 -2.029 1.108 -1.875 1.00 0.00 N ATOM 2 CA GLU A 315 -0.738 1.155 -2.551 1.00 0.00 C ATOM 3 C GLU A 315 -0.074 2.515 -2.374 1.00 0.00 C ATOM 4 O GLU A 315 1.150 2.613 -2.294 1.00 0.00 O ATOM 5 CB GLU A 315 -0.900 0.838 -4.039 1.00 0.00 C ATOM 6 CG GLU A 315 -1.368 -0.580 -4.333 1.00 0.00 C ATOM 7 CD GLU A 315 -1.546 -0.802 -5.809 1.00 0.00 C ATOM 8 OE1 GLU A 315 -1.304 0.112 -6.561 1.00 0.00 O ATOM 9 OE2 GLU A 315 -1.814 -1.915 -6.193 1.00 0.00 O1- ATOM 0 HA GLU A 315 -0.096 0.400 -2.097 1.00 0.00 H new ATOM 0 HB2 GLU A 315 -1.613 1.540 -4.472 1.00 0.00 H new ATOM 0 HB3 GLU A 315 0.054 1.004 -4.539 1.00 0.00 H new ATOM 0 HG2 GLU A 315 -0.643 -1.293 -3.941 1.00 0.00 H new ATOM 0 HG3 GLU A 315 -2.310 -0.768 -3.819 1.00 0.00 H new ATOM 16 N ASP A 316 -0.889 3.563 -2.315 1.00 0.00 N ATOM 17 CA ASP A 316 -0.381 4.920 -2.157 1.00 0.00 C ATOM 18 C ASP A 316 0.047 5.184 -0.720 1.00 0.00 C ATOM 19 O ASP A 316 -0.372 4.484 0.203 1.00 0.00 O ATOM 20 CB ASP A 316 -1.438 5.941 -2.587 1.00 0.00 C ATOM 21 CG ASP A 316 -1.653 6.029 -4.092 1.00 0.00 C ATOM 22 OD1 ASP A 316 -0.858 5.481 -4.818 1.00 0.00 O ATOM 23 OD2 ASP A 316 -2.687 6.504 -4.497 1.00 0.00 O1- ATOM 0 H ASP A 316 -1.905 3.498 -2.374 1.00 0.00 H new ATOM 0 HA ASP A 316 0.494 5.025 -2.798 1.00 0.00 H new ATOM 0 HB2 ASP A 316 -2.385 5.687 -2.111 1.00 0.00 H new ATOM 0 HB3 ASP A 316 -1.148 6.924 -2.216 1.00 0.00 H new ATOM 28 N VAL A 317 0.885 6.199 -0.534 1.00 0.00 N ATOM 29 CA VAL A 317 1.383 6.549 0.791 1.00 0.00 C ATOM 30 C VAL A 317 0.250 6.997 1.706 1.00 0.00 C ATOM 31 O VAL A 317 0.188 6.604 2.871 1.00 0.00 O ATOM 32 CB VAL A 317 2.444 7.664 0.720 1.00 0.00 C ATOM 33 CG1 VAL A 317 2.813 8.137 2.118 1.00 0.00 C ATOM 34 CG2 VAL A 317 3.680 7.176 -0.020 1.00 0.00 C ATOM 0 H VAL A 317 1.234 6.794 -1.285 1.00 0.00 H new ATOM 0 HA VAL A 317 1.842 5.649 1.201 1.00 0.00 H new ATOM 0 HB VAL A 317 2.023 8.506 0.171 1.00 0.00 H new ATOM 0 HG11 VAL A 317 3.563 8.925 2.049 1.00 0.00 H new ATOM 0 HG12 VAL A 317 1.925 8.525 2.617 1.00 0.00 H new ATOM 0 HG13 VAL A 317 3.215 7.301 2.690 1.00 0.00 H new ATOM 0 HG21 VAL A 317 4.419 7.976 -0.061 1.00 0.00 H new ATOM 0 HG22 VAL A 317 4.102 6.318 0.503 1.00 0.00 H new ATOM 0 HG23 VAL A 317 3.405 6.884 -1.034 1.00 0.00 H new ATOM 44 N TRP A 318 -0.644 7.821 1.170 1.00 0.00 N ATOM 45 CA TRP A 318 -1.752 8.359 1.950 1.00 0.00 C ATOM 46 C TRP A 318 -2.814 7.297 2.204 1.00 0.00 C ATOM 47 O TRP A 318 -3.608 7.410 3.137 1.00 0.00 O ATOM 48 CB TRP A 318 -2.374 9.561 1.236 1.00 0.00 C ATOM 49 CG TRP A 318 -2.930 9.232 -0.116 1.00 0.00 C ATOM 50 CD1 TRP A 318 -2.293 9.362 -1.314 1.00 0.00 C ATOM 51 CD2 TRP A 318 -4.235 8.717 -0.408 1.00 0.00 C ATOM 52 NE1 TRP A 318 -3.119 8.963 -2.335 1.00 0.00 N ATOM 53 CE2 TRP A 318 -4.319 8.559 -1.803 1.00 0.00 C ATOM 54 CE3 TRP A 318 -5.341 8.373 0.378 1.00 0.00 C ATOM 55 CZ2 TRP A 318 -5.458 8.078 -2.429 1.00 0.00 C ATOM 56 CZ3 TRP A 318 -6.483 7.889 -0.250 1.00 0.00 C ATOM 57 CH2 TRP A 318 -6.539 7.745 -1.613 1.00 0.00 C ATOM 0 H TRP A 318 -0.623 8.131 0.198 1.00 0.00 H new ATOM 0 HA TRP A 318 -1.356 8.683 2.912 1.00 0.00 H new ATOM 0 HB2 TRP A 318 -3.170 9.970 1.858 1.00 0.00 H new ATOM 0 HB3 TRP A 318 -1.620 10.341 1.130 1.00 0.00 H new ATOM 0 HD1 TRP A 318 -1.284 9.726 -1.441 1.00 0.00 H new ATOM 0 HE1 TRP A 318 -2.881 8.966 -3.327 1.00 0.00 H new ATOM 0 HE3 TRP A 318 -5.308 8.482 1.452 1.00 0.00 H new ATOM 0 HZ2 TRP A 318 -5.506 7.966 -3.502 1.00 0.00 H new ATOM 0 HZ3 TRP A 318 -7.342 7.621 0.347 1.00 0.00 H new ATOM 0 HH2 TRP A 318 -7.443 7.364 -2.066 1.00 0.00 H new ATOM 68 N GLU A 319 -2.824 6.265 1.367 1.00 0.00 N ATOM 69 CA GLU A 319 -3.654 5.091 1.607 1.00 0.00 C ATOM 70 C GLU A 319 -3.108 4.257 2.758 1.00 0.00 C ATOM 71 O GLU A 319 -3.870 3.699 3.548 1.00 0.00 O ATOM 72 CB GLU A 319 -3.754 4.237 0.341 1.00 0.00 C ATOM 73 CG GLU A 319 -4.622 4.839 -0.756 1.00 0.00 C ATOM 74 CD GLU A 319 -4.554 4.022 -2.016 1.00 0.00 C ATOM 75 OE1 GLU A 319 -3.742 3.130 -2.081 1.00 0.00 O ATOM 76 OE2 GLU A 319 -5.387 4.212 -2.870 1.00 0.00 O1- ATOM 0 H GLU A 319 -2.265 6.218 0.515 1.00 0.00 H new ATOM 0 HA GLU A 319 -4.651 5.438 1.880 1.00 0.00 H new ATOM 0 HB2 GLU A 319 -2.751 4.075 -0.054 1.00 0.00 H new ATOM 0 HB3 GLU A 319 -4.153 3.259 0.608 1.00 0.00 H new ATOM 0 HG2 GLU A 319 -5.655 4.898 -0.414 1.00 0.00 H new ATOM 0 HG3 GLU A 319 -4.296 5.858 -0.963 1.00 0.00 H new ATOM 83 N ILE A 320 -1.785 4.176 2.849 1.00 0.00 N ATOM 84 CA ILE A 320 -1.132 3.577 4.007 1.00 0.00 C ATOM 85 C ILE A 320 -1.391 4.393 5.267 1.00 0.00 C ATOM 86 O ILE A 320 -1.659 3.837 6.333 1.00 0.00 O ATOM 87 CB ILE A 320 0.388 3.448 3.794 1.00 0.00 C ATOM 88 CG1 ILE A 320 0.686 2.429 2.691 1.00 0.00 C ATOM 89 CG2 ILE A 320 1.074 3.050 5.091 1.00 0.00 C ATOM 90 CD1 ILE A 320 2.120 2.453 2.210 1.00 0.00 C ATOM 0 H ILE A 320 -1.143 4.518 2.134 1.00 0.00 H new ATOM 0 HA ILE A 320 -1.558 2.581 4.129 1.00 0.00 H new ATOM 0 HB ILE A 320 0.779 4.417 3.483 1.00 0.00 H new ATOM 0 HG12 ILE A 320 0.453 1.430 3.059 1.00 0.00 H new ATOM 0 HG13 ILE A 320 0.025 2.619 1.845 1.00 0.00 H new ATOM 0 HG21 ILE A 320 2.147 2.963 4.923 1.00 0.00 H new ATOM 0 HG22 ILE A 320 0.886 3.809 5.850 1.00 0.00 H new ATOM 0 HG23 ILE A 320 0.681 2.092 5.431 1.00 0.00 H new ATOM 0 HD11 ILE A 320 2.254 1.704 1.429 1.00 0.00 H new ATOM 0 HD12 ILE A 320 2.353 3.440 1.810 1.00 0.00 H new ATOM 0 HD13 ILE A 320 2.787 2.232 3.043 1.00 0.00 H new ATOM 102 N LEU A 321 -1.309 5.713 5.139 1.00 0.00 N ATOM 103 CA LEU A 321 -1.589 6.609 6.255 1.00 0.00 C ATOM 104 C LEU A 321 -3.048 6.519 6.682 1.00 0.00 C ATOM 105 O LEU A 321 -3.368 6.645 7.864 1.00 0.00 O ATOM 106 CB LEU A 321 -1.231 8.052 5.878 1.00 0.00 C ATOM 107 CG LEU A 321 0.258 8.306 5.607 1.00 0.00 C ATOM 108 CD1 LEU A 321 0.456 9.714 5.064 1.00 0.00 C ATOM 109 CD2 LEU A 321 1.049 8.107 6.891 1.00 0.00 C ATOM 0 H LEU A 321 -1.051 6.186 4.273 1.00 0.00 H new ATOM 0 HA LEU A 321 -0.973 6.300 7.100 1.00 0.00 H new ATOM 0 HB2 LEU A 321 -1.798 8.330 4.990 1.00 0.00 H new ATOM 0 HB3 LEU A 321 -1.555 8.712 6.683 1.00 0.00 H new ATOM 0 HG LEU A 321 0.618 7.599 4.860 1.00 0.00 H new ATOM 0 HD11 LEU A 321 1.516 9.885 4.875 1.00 0.00 H new ATOM 0 HD12 LEU A 321 -0.102 9.827 4.134 1.00 0.00 H new ATOM 0 HD13 LEU A 321 0.096 10.439 5.794 1.00 0.00 H new ATOM 0 HD21 LEU A 321 2.107 8.287 6.698 1.00 0.00 H new ATOM 0 HD22 LEU A 321 0.694 8.805 7.649 1.00 0.00 H new ATOM 0 HD23 LEU A 321 0.914 7.086 7.247 1.00 0.00 H new ATOM 121 N ARG A 322 -3.930 6.300 5.713 1.00 0.00 N ATOM 122 CA ARG A 322 -5.362 6.228 5.981 1.00 0.00 C ATOM 123 C ARG A 322 -5.676 5.148 7.010 1.00 0.00 C ATOM 124 O ARG A 322 -6.511 5.343 7.893 1.00 0.00 O ATOM 125 CB ARG A 322 -6.175 6.039 4.710 1.00 0.00 C ATOM 126 CG ARG A 322 -7.681 5.998 4.914 1.00 0.00 C ATOM 127 CD ARG A 322 -8.469 5.917 3.657 1.00 0.00 C ATOM 128 NE ARG A 322 -9.906 5.811 3.851 1.00 0.00 N ATOM 129 CZ ARG A 322 -10.805 5.696 2.855 1.00 0.00 C ATOM 130 NH1 ARG A 322 -10.427 5.709 1.596 1.00 0.00 N1+ ATOM 131 NH2 ARG A 322 -12.083 5.594 3.178 1.00 0.00 N ATOM 0 H ARG A 322 -3.678 6.169 4.733 1.00 0.00 H new ATOM 0 HA ARG A 322 -5.658 7.188 6.403 1.00 0.00 H new ATOM 0 HB2 ARG A 322 -5.938 6.849 4.021 1.00 0.00 H new ATOM 0 HB3 ARG A 322 -5.862 5.111 4.231 1.00 0.00 H new ATOM 0 HG2 ARG A 322 -7.927 5.140 5.539 1.00 0.00 H new ATOM 0 HG3 ARG A 322 -7.985 6.889 5.462 1.00 0.00 H new ATOM 0 HD2 ARG A 322 -8.261 6.802 3.055 1.00 0.00 H new ATOM 0 HD3 ARG A 322 -8.128 5.054 3.084 1.00 0.00 H new ATOM 0 HE ARG A 322 -10.258 5.825 4.808 1.00 0.00 H new ATOM 0 HH11 ARG A 322 -9.439 5.807 1.361 1.00 0.00 H new ATOM 0 HH12 ARG A 322 -11.121 5.621 0.854 1.00 0.00 H new ATOM 0 HH21 ARG A 322 -12.364 5.604 4.159 1.00 0.00 H new ATOM 0 HH22 ARG A 322 -12.788 5.506 2.447 1.00 0.00 H new ATOM 145 N GLN A 323 -5.002 4.009 6.889 1.00 0.00 N ATOM 146 CA GLN A 323 -5.246 2.878 7.775 1.00 0.00 C ATOM 147 C GLN A 323 -4.209 2.818 8.890 1.00 0.00 C ATOM 148 O GLN A 323 -3.998 1.768 9.499 1.00 0.00 O ATOM 149 CB GLN A 323 -5.232 1.566 6.986 1.00 0.00 C ATOM 150 CG GLN A 323 -6.239 1.513 5.849 1.00 0.00 C ATOM 151 CD GLN A 323 -7.671 1.593 6.341 1.00 0.00 C ATOM 152 OE1 GLN A 323 -8.044 0.938 7.317 1.00 0.00 O ATOM 153 NE2 GLN A 323 -8.485 2.394 5.662 1.00 0.00 N ATOM 0 H GLN A 323 -4.282 3.845 6.185 1.00 0.00 H new ATOM 0 HA GLN A 323 -6.229 3.016 8.224 1.00 0.00 H new ATOM 0 HB2 GLN A 323 -4.233 1.410 6.579 1.00 0.00 H new ATOM 0 HB3 GLN A 323 -5.430 0.741 7.671 1.00 0.00 H new ATOM 0 HG2 GLN A 323 -6.048 2.335 5.160 1.00 0.00 H new ATOM 0 HG3 GLN A 323 -6.101 0.588 5.288 1.00 0.00 H new ATOM 0 HE21 GLN A 323 -8.133 2.918 4.860 1.00 0.00 H new ATOM 0 HE22 GLN A 323 -9.461 2.485 5.942 1.00 0.00 H new ATOM 162 N ALA A 324 -3.563 3.949 9.152 1.00 0.00 N ATOM 163 CA ALA A 324 -2.489 4.008 10.136 1.00 0.00 C ATOM 164 C ALA A 324 -2.822 4.982 11.259 1.00 0.00 C ATOM 165 O ALA A 324 -3.632 5.892 11.083 1.00 0.00 O ATOM 166 CB ALA A 324 -1.178 4.393 9.466 1.00 0.00 C ATOM 0 H ALA A 324 -3.765 4.839 8.696 1.00 0.00 H new ATOM 0 HA ALA A 324 -2.380 3.017 10.576 1.00 0.00 H new ATOM 0 HB1 ALA A 324 -0.385 4.433 10.213 1.00 0.00 H new ATOM 0 HB2 ALA A 324 -0.925 3.651 8.708 1.00 0.00 H new ATOM 0 HB3 ALA A 324 -1.283 5.371 8.996 1.00 0.00 H new ATOM 172 N PRO A 325 -2.191 4.785 12.411 1.00 0.00 N ATOM 173 CA PRO A 325 -2.364 5.689 13.543 1.00 0.00 C ATOM 174 C PRO A 325 -1.700 7.035 13.278 1.00 0.00 C ATOM 175 O PRO A 325 -0.701 7.115 12.565 1.00 0.00 O ATOM 176 CB PRO A 325 -1.717 4.948 14.717 1.00 0.00 C ATOM 177 CG PRO A 325 -0.677 4.088 14.084 1.00 0.00 C ATOM 178 CD PRO A 325 -1.260 3.662 12.763 1.00 0.00 C ATOM 0 HA PRO A 325 -3.410 5.925 13.739 1.00 0.00 H new ATOM 0 HB2 PRO A 325 -1.277 5.643 15.432 1.00 0.00 H new ATOM 0 HB3 PRO A 325 -2.448 4.351 15.262 1.00 0.00 H new ATOM 0 HG2 PRO A 325 0.254 4.637 13.944 1.00 0.00 H new ATOM 0 HG3 PRO A 325 -0.447 3.225 14.709 1.00 0.00 H new ATOM 0 HD2 PRO A 325 -0.486 3.531 12.007 1.00 0.00 H new ATOM 0 HD3 PRO A 325 -1.790 2.713 12.846 1.00 0.00 H new ATOM 186 N PRO A 326 -2.263 8.090 13.858 1.00 0.00 N ATOM 187 CA PRO A 326 -1.819 9.449 13.571 1.00 0.00 C ATOM 188 C PRO A 326 -0.463 9.732 14.203 1.00 0.00 C ATOM 189 O PRO A 326 0.207 10.704 13.853 1.00 0.00 O ATOM 190 CB PRO A 326 -2.924 10.335 14.156 1.00 0.00 C ATOM 191 CG PRO A 326 -3.561 9.490 15.205 1.00 0.00 C ATOM 192 CD PRO A 326 -3.502 8.082 14.675 1.00 0.00 C ATOM 0 HA PRO A 326 -1.674 9.629 12.506 1.00 0.00 H new ATOM 0 HB2 PRO A 326 -2.515 11.253 14.579 1.00 0.00 H new ATOM 0 HB3 PRO A 326 -3.643 10.629 13.392 1.00 0.00 H new ATOM 0 HG2 PRO A 326 -3.031 9.575 16.154 1.00 0.00 H new ATOM 0 HG3 PRO A 326 -4.591 9.799 15.386 1.00 0.00 H new ATOM 0 HD2 PRO A 326 -3.451 7.349 15.480 1.00 0.00 H new ATOM 0 HD3 PRO A 326 -4.380 7.838 14.076 1.00 0.00 H new ATOM 200 N SER A 327 -0.062 8.876 15.138 1.00 0.00 N ATOM 201 CA SER A 327 1.184 9.070 15.871 1.00 0.00 C ATOM 202 C SER A 327 2.385 8.642 15.039 1.00 0.00 C ATOM 203 O SER A 327 3.526 8.980 15.357 1.00 0.00 O ATOM 204 CB SER A 327 1.145 8.302 17.177 1.00 0.00 C ATOM 205 OG SER A 327 1.122 6.916 16.974 1.00 0.00 O ATOM 0 H SER A 327 -0.583 8.041 15.406 1.00 0.00 H new ATOM 0 HA SER A 327 1.289 10.133 16.087 1.00 0.00 H new ATOM 0 HB2 SER A 327 2.016 8.565 17.778 1.00 0.00 H new ATOM 0 HB3 SER A 327 0.264 8.599 17.745 1.00 0.00 H new ATOM 0 HG SER A 327 1.099 6.459 17.841 1.00 0.00 H new ATOM 211 N GLU A 328 2.124 7.896 13.970 1.00 0.00 N ATOM 212 CA GLU A 328 3.188 7.315 13.162 1.00 0.00 C ATOM 213 C GLU A 328 3.065 7.736 11.703 1.00 0.00 C ATOM 214 O GLU A 328 3.539 7.041 10.805 1.00 0.00 O ATOM 215 CB GLU A 328 3.172 5.789 13.272 1.00 0.00 C ATOM 216 CG GLU A 328 3.418 5.257 14.676 1.00 0.00 C ATOM 217 CD GLU A 328 3.415 3.753 14.699 1.00 0.00 C ATOM 218 OE1 GLU A 328 3.154 3.163 13.678 1.00 0.00 O ATOM 219 OE2 GLU A 328 3.783 3.193 15.706 1.00 0.00 O1- ATOM 0 H GLU A 328 1.182 7.680 13.644 1.00 0.00 H new ATOM 0 HA GLU A 328 4.138 7.688 13.545 1.00 0.00 H new ATOM 0 HB2 GLU A 328 2.207 5.422 12.921 1.00 0.00 H new ATOM 0 HB3 GLU A 328 3.930 5.381 12.604 1.00 0.00 H new ATOM 0 HG2 GLU A 328 4.375 5.627 15.045 1.00 0.00 H new ATOM 0 HG3 GLU A 328 2.649 5.635 15.350 1.00 0.00 H new ATOM 226 N TYR A 329 2.427 8.878 11.474 1.00 0.00 N ATOM 227 CA TYR A 329 2.259 9.405 10.126 1.00 0.00 C ATOM 228 C TYR A 329 3.575 9.941 9.576 1.00 0.00 C ATOM 229 O TYR A 329 3.858 9.814 8.384 1.00 0.00 O ATOM 230 CB TYR A 329 1.196 10.507 10.109 1.00 0.00 C ATOM 231 CG TYR A 329 -0.224 9.989 10.101 1.00 0.00 C ATOM 232 CD1 TYR A 329 -0.487 8.632 9.976 1.00 0.00 C ATOM 233 CD2 TYR A 329 -1.299 10.858 10.218 1.00 0.00 C ATOM 234 CE1 TYR A 329 -1.784 8.154 9.966 1.00 0.00 C ATOM 235 CE2 TYR A 329 -2.599 10.390 10.211 1.00 0.00 C ATOM 236 CZ TYR A 329 -2.837 9.037 10.085 1.00 0.00 C ATOM 237 OH TYR A 329 -4.130 8.566 10.078 1.00 0.00 O ATOM 0 H TYR A 329 2.017 9.457 12.206 1.00 0.00 H new ATOM 0 HA TYR A 329 1.930 8.585 9.487 1.00 0.00 H new ATOM 0 HB2 TYR A 329 1.335 11.145 10.982 1.00 0.00 H new ATOM 0 HB3 TYR A 329 1.349 11.132 9.229 1.00 0.00 H new ATOM 0 HD1 TYR A 329 0.335 7.938 9.885 1.00 0.00 H new ATOM 0 HD2 TYR A 329 -1.117 11.918 10.316 1.00 0.00 H new ATOM 0 HE1 TYR A 329 -1.972 7.095 9.866 1.00 0.00 H new ATOM 0 HE2 TYR A 329 -3.425 11.080 10.304 1.00 0.00 H new ATOM 0 HH TYR A 329 -4.144 7.643 10.408 1.00 0.00 H new ATOM 247 N GLU A 330 4.376 10.539 10.450 1.00 0.00 N ATOM 248 CA GLU A 330 5.715 10.986 10.082 1.00 0.00 C ATOM 249 C GLU A 330 6.649 9.803 9.864 1.00 0.00 C ATOM 250 O GLU A 330 7.472 9.810 8.949 1.00 0.00 O ATOM 251 CB GLU A 330 6.284 11.914 11.158 1.00 0.00 C ATOM 252 CG GLU A 330 5.618 13.281 11.224 1.00 0.00 C ATOM 253 CD GLU A 330 6.167 14.101 12.359 1.00 0.00 C ATOM 254 OE1 GLU A 330 6.975 13.592 13.097 1.00 0.00 O ATOM 255 OE2 GLU A 330 5.864 15.270 12.421 1.00 0.00 O1- ATOM 0 H GLU A 330 4.121 10.726 11.420 1.00 0.00 H new ATOM 0 HA GLU A 330 5.637 11.537 9.144 1.00 0.00 H new ATOM 0 HB2 GLU A 330 6.186 11.428 12.129 1.00 0.00 H new ATOM 0 HB3 GLU A 330 7.350 12.051 10.976 1.00 0.00 H new ATOM 0 HG2 GLU A 330 5.772 13.809 10.283 1.00 0.00 H new ATOM 0 HG3 GLU A 330 4.542 13.158 11.348 1.00 0.00 H new ATOM 262 N ARG A 331 6.517 8.786 10.711 1.00 0.00 N ATOM 263 CA ARG A 331 7.371 7.607 10.631 1.00 0.00 C ATOM 264 C ARG A 331 7.137 6.845 9.332 1.00 0.00 C ATOM 265 O ARG A 331 8.075 6.322 8.731 1.00 0.00 O ATOM 266 CB ARG A 331 7.214 6.702 11.844 1.00 0.00 C ATOM 267 CG ARG A 331 7.809 7.250 13.131 1.00 0.00 C ATOM 268 CD ARG A 331 7.622 6.372 14.315 1.00 0.00 C ATOM 269 NE ARG A 331 8.237 6.867 15.536 1.00 0.00 N ATOM 270 CZ ARG A 331 8.188 6.238 16.726 1.00 0.00 C ATOM 271 NH1 ARG A 331 7.527 5.110 16.870 1.00 0.00 N1+ ATOM 272 NH2 ARG A 331 8.806 6.797 17.754 1.00 0.00 N ATOM 0 H ARG A 331 5.826 8.756 11.461 1.00 0.00 H new ATOM 0 HA ARG A 331 8.403 7.958 10.631 1.00 0.00 H new ATOM 0 HB2 ARG A 331 6.152 6.513 12.003 1.00 0.00 H new ATOM 0 HB3 ARG A 331 7.680 5.741 11.625 1.00 0.00 H new ATOM 0 HG2 ARG A 331 8.876 7.416 12.982 1.00 0.00 H new ATOM 0 HG3 ARG A 331 7.361 8.221 13.340 1.00 0.00 H new ATOM 0 HD2 ARG A 331 6.554 6.240 14.489 1.00 0.00 H new ATOM 0 HD3 ARG A 331 8.032 5.388 14.090 1.00 0.00 H new ATOM 0 HE ARG A 331 8.741 7.753 15.488 1.00 0.00 H new ATOM 0 HH11 ARG A 331 7.041 4.698 16.073 1.00 0.00 H new ATOM 0 HH12 ARG A 331 7.500 4.647 17.778 1.00 0.00 H new ATOM 0 HH21 ARG A 331 9.302 7.680 17.632 1.00 0.00 H new ATOM 0 HH22 ARG A 331 8.787 6.345 18.668 1.00 0.00 H new ATOM 286 N ILE A 332 5.881 6.785 8.906 1.00 0.00 N ATOM 287 CA ILE A 332 5.530 6.147 7.643 1.00 0.00 C ATOM 288 C ILE A 332 6.034 6.959 6.457 1.00 0.00 C ATOM 289 O ILE A 332 6.705 6.430 5.569 1.00 0.00 O ATOM 290 CB ILE A 332 4.008 5.953 7.510 1.00 0.00 C ATOM 291 CG1 ILE A 332 3.515 4.905 8.511 1.00 0.00 C ATOM 292 CG2 ILE A 332 3.645 5.549 6.090 1.00 0.00 C ATOM 293 CD1 ILE A 332 2.011 4.863 8.660 1.00 0.00 C ATOM 0 H ILE A 332 5.087 7.171 9.418 1.00 0.00 H new ATOM 0 HA ILE A 332 6.012 5.169 7.641 1.00 0.00 H new ATOM 0 HB ILE A 332 3.517 6.900 7.733 1.00 0.00 H new ATOM 0 HG12 ILE A 332 3.867 3.922 8.197 1.00 0.00 H new ATOM 0 HG13 ILE A 332 3.962 5.108 9.484 1.00 0.00 H new ATOM 0 HG21 ILE A 332 2.566 5.416 6.014 1.00 0.00 H new ATOM 0 HG22 ILE A 332 3.964 6.328 5.397 1.00 0.00 H new ATOM 0 HG23 ILE A 332 4.144 4.613 5.839 1.00 0.00 H new ATOM 0 HD11 ILE A 332 1.739 4.097 9.386 1.00 0.00 H new ATOM 0 HD12 ILE A 332 1.652 5.833 9.005 1.00 0.00 H new ATOM 0 HD13 ILE A 332 1.556 4.629 7.697 1.00 0.00 H new ATOM 305 N ALA A 333 5.707 8.247 6.446 1.00 0.00 N ATOM 306 CA ALA A 333 6.050 9.116 5.326 1.00 0.00 C ATOM 307 C ALA A 333 7.547 9.085 5.045 1.00 0.00 C ATOM 308 O ALA A 333 7.971 9.025 3.891 1.00 0.00 O ATOM 309 CB ALA A 333 5.588 10.540 5.599 1.00 0.00 C ATOM 0 H ALA A 333 5.204 8.713 7.201 1.00 0.00 H new ATOM 0 HA ALA A 333 5.535 8.745 4.440 1.00 0.00 H new ATOM 0 HB1 ALA A 333 5.851 11.176 4.754 1.00 0.00 H new ATOM 0 HB2 ALA A 333 4.507 10.551 5.739 1.00 0.00 H new ATOM 0 HB3 ALA A 333 6.074 10.914 6.500 1.00 0.00 H new ATOM 315 N PHE A 334 8.345 9.128 6.107 1.00 0.00 N ATOM 316 CA PHE A 334 9.795 9.218 5.972 1.00 0.00 C ATOM 317 C PHE A 334 10.369 7.960 5.336 1.00 0.00 C ATOM 318 O PHE A 334 11.392 8.008 4.653 1.00 0.00 O ATOM 319 CB PHE A 334 10.443 9.460 7.337 1.00 0.00 C ATOM 320 CG PHE A 334 10.108 10.795 7.939 1.00 0.00 C ATOM 321 CD1 PHE A 334 9.495 11.780 7.179 1.00 0.00 C ATOM 322 CD2 PHE A 334 10.404 11.068 9.265 1.00 0.00 C ATOM 323 CE1 PHE A 334 9.186 13.008 7.732 1.00 0.00 C ATOM 324 CE2 PHE A 334 10.095 12.294 9.821 1.00 0.00 C ATOM 325 CZ PHE A 334 9.485 13.266 9.053 1.00 0.00 C ATOM 0 H PHE A 334 8.012 9.102 7.071 1.00 0.00 H new ATOM 0 HA PHE A 334 10.018 10.061 5.318 1.00 0.00 H new ATOM 0 HB2 PHE A 334 10.128 8.673 8.023 1.00 0.00 H new ATOM 0 HB3 PHE A 334 11.525 9.379 7.234 1.00 0.00 H new ATOM 0 HD1 PHE A 334 9.257 11.585 6.144 1.00 0.00 H new ATOM 0 HD2 PHE A 334 10.882 10.313 9.871 1.00 0.00 H new ATOM 0 HE1 PHE A 334 8.710 13.767 7.129 1.00 0.00 H new ATOM 0 HE2 PHE A 334 10.330 12.492 10.856 1.00 0.00 H new ATOM 0 HZ PHE A 334 9.243 14.225 9.486 1.00 0.00 H new ATOM 335 N GLN A 335 9.704 6.831 5.564 1.00 0.00 N ATOM 336 CA GLN A 335 10.149 5.556 5.016 1.00 0.00 C ATOM 337 C GLN A 335 9.834 5.454 3.529 1.00 0.00 C ATOM 338 O GLN A 335 10.340 4.572 2.835 1.00 0.00 O ATOM 339 CB GLN A 335 9.493 4.393 5.764 1.00 0.00 C ATOM 340 CG GLN A 335 10.000 4.199 7.183 1.00 0.00 C ATOM 341 CD GLN A 335 9.276 3.081 7.910 1.00 0.00 C ATOM 342 OE1 GLN A 335 8.410 2.411 7.340 1.00 0.00 O ATOM 343 NE2 GLN A 335 9.624 2.875 9.174 1.00 0.00 N ATOM 0 H GLN A 335 8.854 6.774 6.125 1.00 0.00 H new ATOM 0 HA GLN A 335 11.230 5.501 5.144 1.00 0.00 H new ATOM 0 HB2 GLN A 335 8.416 4.557 5.794 1.00 0.00 H new ATOM 0 HB3 GLN A 335 9.660 3.474 5.202 1.00 0.00 H new ATOM 0 HG2 GLN A 335 11.067 3.980 7.157 1.00 0.00 H new ATOM 0 HG3 GLN A 335 9.878 5.128 7.739 1.00 0.00 H new ATOM 0 HE21 GLN A 335 10.345 3.453 9.605 1.00 0.00 H new ATOM 0 HE22 GLN A 335 9.170 2.139 9.714 1.00 0.00 H new ATOM 352 N HIS A 336 8.993 6.362 3.045 1.00 0.00 N ATOM 353 CA HIS A 336 8.645 6.405 1.630 1.00 0.00 C ATOM 354 C HIS A 336 9.346 7.560 0.925 1.00 0.00 C ATOM 355 O HIS A 336 9.158 7.775 -0.272 1.00 0.00 O ATOM 356 CB HIS A 336 7.128 6.526 1.449 1.00 0.00 C ATOM 357 CG HIS A 336 6.361 5.370 2.011 1.00 0.00 C ATOM 358 ND1 HIS A 336 6.522 4.079 1.553 1.00 0.00 N ATOM 359 CD2 HIS A 336 5.429 5.310 2.991 1.00 0.00 C ATOM 360 CE1 HIS A 336 5.721 3.273 2.230 1.00 0.00 C ATOM 361 NE2 HIS A 336 5.048 3.995 3.107 1.00 0.00 N ATOM 0 H HIS A 336 8.540 7.078 3.612 1.00 0.00 H new ATOM 0 HA HIS A 336 8.982 5.471 1.179 1.00 0.00 H new ATOM 0 HB2 HIS A 336 6.786 7.444 1.927 1.00 0.00 H new ATOM 0 HB3 HIS A 336 6.904 6.617 0.386 1.00 0.00 H new ATOM 0 HD2 HIS A 336 5.055 6.140 3.572 1.00 0.00 H new ATOM 0 HE1 HIS A 336 5.633 2.206 2.089 1.00 0.00 H new ATOM 0 HE2 HIS A 336 4.357 3.635 3.765 1.00 0.00 H new ATOM 368 N GLY A 337 10.156 8.299 1.675 1.00 0.00 N ATOM 369 CA GLY A 337 10.858 9.457 1.133 1.00 0.00 C ATOM 370 C GLY A 337 9.917 10.644 0.968 1.00 0.00 C ATOM 371 O GLY A 337 10.154 11.526 0.143 1.00 0.00 O ATOM 0 H GLY A 337 10.343 8.117 2.661 1.00 0.00 H new ATOM 0 HA2 GLY A 337 11.680 9.730 1.795 1.00 0.00 H new ATOM 0 HA3 GLY A 337 11.297 9.201 0.169 1.00 0.00 H new ATOM 375 N VAL A 338 8.848 10.659 1.756 1.00 0.00 N ATOM 376 CA VAL A 338 7.861 11.731 1.690 1.00 0.00 C ATOM 377 C VAL A 338 8.075 12.745 2.807 1.00 0.00 C ATOM 378 O VAL A 338 7.957 12.416 3.988 1.00 0.00 O ATOM 379 CB VAL A 338 6.425 11.184 1.774 1.00 0.00 C ATOM 380 CG1 VAL A 338 5.418 12.324 1.752 1.00 0.00 C ATOM 381 CG2 VAL A 338 6.155 10.215 0.633 1.00 0.00 C ATOM 0 H VAL A 338 8.642 9.940 2.449 1.00 0.00 H new ATOM 0 HA VAL A 338 7.995 12.223 0.726 1.00 0.00 H new ATOM 0 HB VAL A 338 6.317 10.646 2.716 1.00 0.00 H new ATOM 0 HG11 VAL A 338 4.408 11.919 1.812 1.00 0.00 H new ATOM 0 HG12 VAL A 338 5.596 12.983 2.602 1.00 0.00 H new ATOM 0 HG13 VAL A 338 5.528 12.889 0.826 1.00 0.00 H new ATOM 0 HG21 VAL A 338 5.135 9.839 0.709 1.00 0.00 H new ATOM 0 HG22 VAL A 338 6.282 10.730 -0.319 1.00 0.00 H new ATOM 0 HG23 VAL A 338 6.855 9.381 0.691 1.00 0.00 H new ATOM 391 N THR A 339 8.389 13.979 2.426 1.00 0.00 N ATOM 392 CA THR A 339 8.545 15.061 3.391 1.00 0.00 C ATOM 393 C THR A 339 7.262 15.873 3.521 1.00 0.00 C ATOM 394 O THR A 339 6.995 16.464 4.567 1.00 0.00 O ATOM 395 CB THR A 339 9.700 16.004 3.001 1.00 0.00 C ATOM 396 OG1 THR A 339 9.425 16.596 1.724 1.00 0.00 O ATOM 397 CG2 THR A 339 11.011 15.239 2.929 1.00 0.00 C ATOM 0 H THR A 339 8.540 14.254 1.456 1.00 0.00 H new ATOM 0 HA THR A 339 8.775 14.596 4.349 1.00 0.00 H new ATOM 0 HB THR A 339 9.787 16.782 3.759 1.00 0.00 H new ATOM 0 HG1 THR A 339 10.159 17.197 1.477 1.00 0.00 H new ATOM 0 HG21 THR A 339 11.815 15.921 2.652 1.00 0.00 H new ATOM 0 HG22 THR A 339 11.228 14.797 3.901 1.00 0.00 H new ATOM 0 HG23 THR A 339 10.931 14.450 2.181 1.00 0.00 H new ATOM 405 N ASP A 340 6.473 15.898 2.453 1.00 0.00 N ATOM 406 CA ASP A 340 5.184 16.578 2.469 1.00 0.00 C ATOM 407 C ASP A 340 4.091 15.675 3.027 1.00 0.00 C ATOM 408 O ASP A 340 3.260 15.158 2.282 1.00 0.00 O ATOM 409 CB ASP A 340 4.809 17.049 1.062 1.00 0.00 C ATOM 410 CG ASP A 340 3.563 17.923 1.003 1.00 0.00 C ATOM 411 OD1 ASP A 340 3.020 18.221 2.040 1.00 0.00 O ATOM 412 OD2 ASP A 340 3.256 18.415 -0.057 1.00 0.00 O1- ATOM 0 H ASP A 340 6.704 15.454 1.564 1.00 0.00 H new ATOM 0 HA ASP A 340 5.274 17.447 3.121 1.00 0.00 H new ATOM 0 HB2 ASP A 340 5.648 17.604 0.642 1.00 0.00 H new ATOM 0 HB3 ASP A 340 4.656 16.175 0.428 1.00 0.00 H new ATOM 417 N LEU A 341 4.098 15.489 4.343 1.00 0.00 N ATOM 418 CA LEU A 341 3.099 14.660 5.005 1.00 0.00 C ATOM 419 C LEU A 341 1.704 15.257 4.859 1.00 0.00 C ATOM 420 O LEU A 341 0.736 14.540 4.607 1.00 0.00 O ATOM 421 CB LEU A 341 3.452 14.487 6.488 1.00 0.00 C ATOM 422 CG LEU A 341 2.415 13.723 7.321 1.00 0.00 C ATOM 423 CD1 LEU A 341 2.212 12.327 6.747 1.00 0.00 C ATOM 424 CD2 LEU A 341 2.880 13.648 8.768 1.00 0.00 C ATOM 0 H LEU A 341 4.786 15.902 4.972 1.00 0.00 H new ATOM 0 HA LEU A 341 3.098 13.682 4.524 1.00 0.00 H new ATOM 0 HB2 LEU A 341 4.407 13.966 6.559 1.00 0.00 H new ATOM 0 HB3 LEU A 341 3.593 15.474 6.929 1.00 0.00 H new ATOM 0 HG LEU A 341 1.461 14.249 7.286 1.00 0.00 H new ATOM 0 HD11 LEU A 341 1.474 11.792 7.345 1.00 0.00 H new ATOM 0 HD12 LEU A 341 1.859 12.404 5.719 1.00 0.00 H new ATOM 0 HD13 LEU A 341 3.157 11.785 6.766 1.00 0.00 H new ATOM 0 HD21 LEU A 341 2.143 13.105 9.359 1.00 0.00 H new ATOM 0 HD22 LEU A 341 3.837 13.129 8.816 1.00 0.00 H new ATOM 0 HD23 LEU A 341 2.993 14.656 9.166 1.00 0.00 H new ATOM 436 N ARG A 342 1.609 16.572 5.019 1.00 0.00 N ATOM 437 CA ARG A 342 0.327 17.261 4.949 1.00 0.00 C ATOM 438 C ARG A 342 -0.312 17.100 3.576 1.00 0.00 C ATOM 439 O ARG A 342 -1.532 16.982 3.459 1.00 0.00 O ATOM 440 CB ARG A 342 0.441 18.727 5.342 1.00 0.00 C ATOM 441 CG ARG A 342 0.653 18.977 6.827 1.00 0.00 C ATOM 442 CD ARG A 342 0.761 20.412 7.197 1.00 0.00 C ATOM 443 NE ARG A 342 0.912 20.657 8.622 1.00 0.00 N ATOM 444 CZ ARG A 342 1.041 21.876 9.180 1.00 0.00 C ATOM 445 NH1 ARG A 342 1.076 22.960 8.437 1.00 0.00 N1+ ATOM 446 NH2 ARG A 342 1.157 21.953 10.495 1.00 0.00 N ATOM 0 H ARG A 342 2.406 17.183 5.198 1.00 0.00 H new ATOM 0 HA ARG A 342 -0.330 16.789 5.680 1.00 0.00 H new ATOM 0 HB2 ARG A 342 1.270 19.172 4.791 1.00 0.00 H new ATOM 0 HB3 ARG A 342 -0.465 19.244 5.027 1.00 0.00 H new ATOM 0 HG2 ARG A 342 -0.175 18.533 7.380 1.00 0.00 H new ATOM 0 HG3 ARG A 342 1.560 18.463 7.144 1.00 0.00 H new ATOM 0 HD2 ARG A 342 1.613 20.846 6.674 1.00 0.00 H new ATOM 0 HD3 ARG A 342 -0.129 20.933 6.844 1.00 0.00 H new ATOM 0 HE ARG A 342 0.921 19.848 9.243 1.00 0.00 H new ATOM 0 HH11 ARG A 342 1.005 22.885 7.422 1.00 0.00 H new ATOM 0 HH12 ARG A 342 1.174 23.876 8.875 1.00 0.00 H new ATOM 0 HH21 ARG A 342 1.147 21.103 11.058 1.00 0.00 H new ATOM 0 HH22 ARG A 342 1.256 22.863 10.946 1.00 0.00 H new ATOM 460 N GLY A 343 0.519 17.097 2.540 1.00 0.00 N ATOM 461 CA GLY A 343 0.048 16.848 1.182 1.00 0.00 C ATOM 462 C GLY A 343 -0.592 15.471 1.063 1.00 0.00 C ATOM 463 O GLY A 343 -1.607 15.303 0.390 1.00 0.00 O ATOM 0 H GLY A 343 1.522 17.264 2.614 1.00 0.00 H new ATOM 0 HA2 GLY A 343 -0.675 17.613 0.899 1.00 0.00 H new ATOM 0 HA3 GLY A 343 0.883 16.925 0.485 1.00 0.00 H new ATOM 467 N MET A 344 0.010 14.486 1.723 1.00 0.00 N ATOM 468 CA MET A 344 -0.534 13.134 1.743 1.00 0.00 C ATOM 469 C MET A 344 -1.796 13.060 2.595 1.00 0.00 C ATOM 470 O MET A 344 -2.704 12.279 2.310 1.00 0.00 O ATOM 471 CB MET A 344 0.513 12.152 2.266 1.00 0.00 C ATOM 472 CG MET A 344 1.695 11.937 1.332 1.00 0.00 C ATOM 473 SD MET A 344 1.206 11.246 -0.261 1.00 0.00 S ATOM 474 CE MET A 344 1.132 12.728 -1.264 1.00 0.00 C ATOM 0 H MET A 344 0.875 14.600 2.251 1.00 0.00 H new ATOM 0 HA MET A 344 -0.800 12.862 0.721 1.00 0.00 H new ATOM 0 HB2 MET A 344 0.884 12.512 3.225 1.00 0.00 H new ATOM 0 HB3 MET A 344 0.032 11.191 2.451 1.00 0.00 H new ATOM 0 HG2 MET A 344 2.203 12.888 1.171 1.00 0.00 H new ATOM 0 HG3 MET A 344 2.413 11.269 1.808 1.00 0.00 H new ATOM 0 HE1 MET A 344 1.321 12.472 -2.307 1.00 0.00 H new ATOM 0 HE2 MET A 344 0.144 13.179 -1.174 1.00 0.00 H new ATOM 0 HE3 MET A 344 1.887 13.437 -0.923 1.00 0.00 H new ATOM 484 N LEU A 345 -1.846 13.879 3.640 1.00 0.00 N ATOM 485 CA LEU A 345 -2.994 13.902 4.539 1.00 0.00 C ATOM 486 C LEU A 345 -4.181 14.610 3.899 1.00 0.00 C ATOM 487 O LEU A 345 -5.333 14.357 4.255 1.00 0.00 O ATOM 488 CB LEU A 345 -2.618 14.584 5.861 1.00 0.00 C ATOM 489 CG LEU A 345 -1.585 13.833 6.712 1.00 0.00 C ATOM 490 CD1 LEU A 345 -1.234 14.648 7.949 1.00 0.00 C ATOM 491 CD2 LEU A 345 -2.143 12.472 7.103 1.00 0.00 C ATOM 0 H LEU A 345 -1.105 14.536 3.885 1.00 0.00 H new ATOM 0 HA LEU A 345 -3.286 12.871 4.741 1.00 0.00 H new ATOM 0 HB2 LEU A 345 -2.230 15.579 5.641 1.00 0.00 H new ATOM 0 HB3 LEU A 345 -3.524 14.719 6.452 1.00 0.00 H new ATOM 0 HG LEU A 345 -0.674 13.686 6.132 1.00 0.00 H new ATOM 0 HD11 LEU A 345 -0.500 14.106 8.546 1.00 0.00 H new ATOM 0 HD12 LEU A 345 -0.817 15.608 7.646 1.00 0.00 H new ATOM 0 HD13 LEU A 345 -2.133 14.814 8.542 1.00 0.00 H new ATOM 0 HD21 LEU A 345 -1.410 11.938 7.707 1.00 0.00 H new ATOM 0 HD22 LEU A 345 -3.059 12.606 7.678 1.00 0.00 H new ATOM 0 HD23 LEU A 345 -2.360 11.896 6.204 1.00 0.00 H new ATOM 503 N LYS A 346 -3.896 15.496 2.952 1.00 0.00 N ATOM 504 CA LYS A 346 -4.939 16.117 2.143 1.00 0.00 C ATOM 505 C LYS A 346 -5.565 15.110 1.186 1.00 0.00 C ATOM 506 O LYS A 346 -6.763 15.167 0.907 1.00 0.00 O ATOM 507 CB LYS A 346 -4.375 17.304 1.362 1.00 0.00 C ATOM 508 CG LYS A 346 -4.088 18.536 2.210 1.00 0.00 C ATOM 509 CD LYS A 346 -3.519 19.668 1.367 1.00 0.00 C ATOM 510 CE LYS A 346 -3.179 20.879 2.223 1.00 0.00 C ATOM 511 NZ LYS A 346 -2.594 21.984 1.416 1.00 0.00 N1+ ATOM 0 H LYS A 346 -2.950 15.801 2.725 1.00 0.00 H new ATOM 0 HA LYS A 346 -5.716 16.475 2.818 1.00 0.00 H new ATOM 0 HB2 LYS A 346 -3.453 16.994 0.869 1.00 0.00 H new ATOM 0 HB3 LYS A 346 -5.081 17.575 0.577 1.00 0.00 H new ATOM 0 HG2 LYS A 346 -5.006 18.867 2.696 1.00 0.00 H new ATOM 0 HG3 LYS A 346 -3.383 18.279 3.001 1.00 0.00 H new ATOM 0 HD2 LYS A 346 -2.624 19.324 0.849 1.00 0.00 H new ATOM 0 HD3 LYS A 346 -4.241 19.952 0.602 1.00 0.00 H new ATOM 0 HE2 LYS A 346 -4.080 21.233 2.724 1.00 0.00 H new ATOM 0 HE3 LYS A 346 -2.475 20.587 3.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 346 -2.377 22.790 2.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 346 -1.721 21.654 0.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 346 -3.275 22.281 0.689 1.00 0.00 H new ATOM 525 N ARG A 347 -4.748 14.189 0.686 1.00 0.00 N ATOM 526 CA ARG A 347 -5.246 13.078 -0.116 1.00 0.00 C ATOM 527 C ARG A 347 -5.928 12.031 0.756 1.00 0.00 C ATOM 528 O ARG A 347 -6.891 11.390 0.335 1.00 0.00 O ATOM 529 CB ARG A 347 -4.156 12.458 -0.977 1.00 0.00 C ATOM 530 CG ARG A 347 -3.666 13.335 -2.119 1.00 0.00 C ATOM 531 CD ARG A 347 -2.588 12.728 -2.939 1.00 0.00 C ATOM 532 NE ARG A 347 -2.134 13.555 -4.045 1.00 0.00 N ATOM 533 CZ ARG A 347 -1.124 13.233 -4.877 1.00 0.00 C ATOM 534 NH1 ARG A 347 -0.437 12.124 -4.711 1.00 0.00 N1+ ATOM 535 NH2 ARG A 347 -0.825 14.074 -5.852 1.00 0.00 N ATOM 0 H ARG A 347 -3.737 14.190 0.822 1.00 0.00 H new ATOM 0 HA ARG A 347 -5.993 13.485 -0.797 1.00 0.00 H new ATOM 0 HB2 ARG A 347 -3.308 12.209 -0.340 1.00 0.00 H new ATOM 0 HB3 ARG A 347 -4.529 11.522 -1.392 1.00 0.00 H new ATOM 0 HG2 ARG A 347 -4.510 13.571 -2.767 1.00 0.00 H new ATOM 0 HG3 ARG A 347 -3.306 14.278 -1.708 1.00 0.00 H new ATOM 0 HD2 ARG A 347 -1.738 12.508 -2.293 1.00 0.00 H new ATOM 0 HD3 ARG A 347 -2.942 11.776 -3.335 1.00 0.00 H new ATOM 0 HE ARG A 347 -2.614 14.441 -4.202 1.00 0.00 H new ATOM 0 HH11 ARG A 347 -0.666 11.492 -3.943 1.00 0.00 H new ATOM 0 HH12 ARG A 347 0.324 11.895 -5.350 1.00 0.00 H new ATOM 0 HH21 ARG A 347 -1.354 14.940 -5.959 1.00 0.00 H new ATOM 0 HH22 ARG A 347 -0.065 13.857 -6.497 1.00 0.00 H new ATOM 549 N LEU A 348 -5.426 11.865 1.975 1.00 0.00 N ATOM 550 CA LEU A 348 -6.037 10.958 2.939 1.00 0.00 C ATOM 551 C LEU A 348 -7.497 11.319 3.186 1.00 0.00 C ATOM 552 O LEU A 348 -8.388 10.483 3.030 1.00 0.00 O ATOM 553 CB LEU A 348 -5.253 10.977 4.257 1.00 0.00 C ATOM 554 CG LEU A 348 -5.519 9.791 5.192 1.00 0.00 C ATOM 555 CD1 LEU A 348 -4.577 9.848 6.388 1.00 0.00 C ATOM 556 CD2 LEU A 348 -6.970 9.818 5.647 1.00 0.00 C ATOM 0 H LEU A 348 -4.596 12.348 2.319 1.00 0.00 H new ATOM 0 HA LEU A 348 -6.005 9.951 2.523 1.00 0.00 H new ATOM 0 HB2 LEU A 348 -4.188 11.006 4.027 1.00 0.00 H new ATOM 0 HB3 LEU A 348 -5.490 11.899 4.789 1.00 0.00 H new ATOM 0 HG LEU A 348 -5.336 8.858 4.658 1.00 0.00 H new ATOM 0 HD11 LEU A 348 -4.773 9.002 7.046 1.00 0.00 H new ATOM 0 HD12 LEU A 348 -3.545 9.806 6.040 1.00 0.00 H new ATOM 0 HD13 LEU A 348 -4.738 10.778 6.934 1.00 0.00 H new ATOM 0 HD21 LEU A 348 -7.159 8.975 6.312 1.00 0.00 H new ATOM 0 HD22 LEU A 348 -7.168 10.749 6.177 1.00 0.00 H new ATOM 0 HD23 LEU A 348 -7.625 9.749 4.778 1.00 0.00 H new ATOM 568 N LYS A 349 -7.735 12.568 3.570 1.00 0.00 N ATOM 569 CA LYS A 349 -9.085 13.036 3.862 1.00 0.00 C ATOM 570 C LYS A 349 -9.812 13.447 2.588 1.00 0.00 C ATOM 571 O LYS A 349 -10.307 12.610 1.884 1.00 0.00 O ATOM 572 CB LYS A 349 -9.046 14.207 4.846 1.00 0.00 C ATOM 573 CG LYS A 349 -10.417 14.720 5.266 1.00 0.00 C ATOM 574 CD LYS A 349 -10.298 15.838 6.292 1.00 0.00 C ATOM 575 CE LYS A 349 -11.666 16.356 6.709 1.00 0.00 C ATOM 576 NZ LYS A 349 -11.565 17.438 7.725 1.00 0.00 N1+ ATOM 0 H LYS A 349 -7.010 13.276 3.687 1.00 0.00 H new ATOM 0 HA LYS A 349 -9.633 12.211 4.317 1.00 0.00 H new ATOM 0 HB2 LYS A 349 -8.498 13.900 5.737 1.00 0.00 H new ATOM 0 HB3 LYS A 349 -8.487 15.027 4.395 1.00 0.00 H new ATOM 0 HG2 LYS A 349 -10.956 15.083 4.391 1.00 0.00 H new ATOM 0 HG3 LYS A 349 -11.002 13.901 5.684 1.00 0.00 H new ATOM 0 HD2 LYS A 349 -9.762 15.474 7.169 1.00 0.00 H new ATOM 0 HD3 LYS A 349 -9.709 16.655 5.875 1.00 0.00 H new ATOM 0 HE2 LYS A 349 -12.195 16.730 5.832 1.00 0.00 H new ATOM 0 HE3 LYS A 349 -12.258 15.534 7.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 349 -12.519 17.763 7.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 349 -11.083 17.075 8.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 349 -11.022 18.234 7.332 1.00 0.00 H new TER 590 LYS A 349