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 K(o=0,f=-0.88) USER MOD Single : A 327 SER OG : rot 77:sc= 0.793 USER MOD Single : A 329 TYR OH : rot -33:sc= 0.591 USER MOD Single : A 335 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 336 HIS : no HD1:sc= 0.49 K(o=1.2,f=-4.8!) USER MOD Single : A 339 THR OG1 : rot 180:sc= 0 USER MOD Single : A 344 MET CE :methyl -139:sc= -0.0817 (180deg=-0.65) 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 1.635 -0.111 -0.934 1.00 0.00 N ATOM 2 CA GLU A 315 0.549 0.860 -0.877 1.00 0.00 C ATOM 3 C GLU A 315 1.084 2.286 -0.862 1.00 0.00 C ATOM 4 O GLU A 315 2.247 2.519 -0.532 1.00 0.00 O ATOM 5 CB GLU A 315 -0.326 0.614 0.355 1.00 0.00 C ATOM 6 CG GLU A 315 -1.051 -0.724 0.353 1.00 0.00 C ATOM 7 CD GLU A 315 -1.885 -0.894 1.593 1.00 0.00 C ATOM 8 OE1 GLU A 315 -1.835 -0.037 2.442 1.00 0.00 O ATOM 9 OE2 GLU A 315 -2.657 -1.822 1.642 1.00 0.00 O1- ATOM 0 HA GLU A 315 -0.058 0.733 -1.774 1.00 0.00 H new ATOM 0 HB2 GLU A 315 0.298 0.674 1.247 1.00 0.00 H new ATOM 0 HB3 GLU A 315 -1.064 1.413 0.427 1.00 0.00 H new ATOM 0 HG2 GLU A 315 -1.688 -0.794 -0.529 1.00 0.00 H new ATOM 0 HG3 GLU A 315 -0.325 -1.534 0.287 1.00 0.00 H new ATOM 16 N ASP A 316 0.230 3.237 -1.222 1.00 0.00 N ATOM 17 CA ASP A 316 0.605 4.646 -1.215 1.00 0.00 C ATOM 18 C ASP A 316 0.701 5.184 0.206 1.00 0.00 C ATOM 19 O ASP A 316 0.106 4.632 1.132 1.00 0.00 O ATOM 20 CB ASP A 316 -0.400 5.472 -2.023 1.00 0.00 C ATOM 21 CG ASP A 316 -0.298 5.286 -3.531 1.00 0.00 C ATOM 22 OD1 ASP A 316 0.655 4.691 -3.974 1.00 0.00 O ATOM 23 OD2 ASP A 316 -1.246 5.598 -4.212 1.00 0.00 O1- ATOM 0 H ASP A 316 -0.728 3.058 -1.523 1.00 0.00 H new ATOM 0 HA ASP A 316 1.588 4.731 -1.678 1.00 0.00 H new ATOM 0 HB2 ASP A 316 -1.408 5.209 -1.704 1.00 0.00 H new ATOM 0 HB3 ASP A 316 -0.257 6.527 -1.789 1.00 0.00 H new ATOM 28 N VAL A 317 1.454 6.266 0.374 1.00 0.00 N ATOM 29 CA VAL A 317 1.665 6.854 1.692 1.00 0.00 C ATOM 30 C VAL A 317 0.343 7.245 2.339 1.00 0.00 C ATOM 31 O VAL A 317 0.180 7.132 3.555 1.00 0.00 O ATOM 32 CB VAL A 317 2.575 8.096 1.616 1.00 0.00 C ATOM 33 CG1 VAL A 317 1.870 9.229 0.887 1.00 0.00 C ATOM 34 CG2 VAL A 317 2.988 8.538 3.012 1.00 0.00 C ATOM 0 H VAL A 317 1.928 6.754 -0.386 1.00 0.00 H new ATOM 0 HA VAL A 317 2.153 6.093 2.301 1.00 0.00 H new ATOM 0 HB VAL A 317 3.473 7.832 1.057 1.00 0.00 H new ATOM 0 HG11 VAL A 317 2.527 10.098 0.843 1.00 0.00 H new ATOM 0 HG12 VAL A 317 1.620 8.911 -0.125 1.00 0.00 H new ATOM 0 HG13 VAL A 317 0.956 9.492 1.420 1.00 0.00 H new ATOM 0 HG21 VAL A 317 3.630 9.416 2.941 1.00 0.00 H new ATOM 0 HG22 VAL A 317 2.100 8.785 3.593 1.00 0.00 H new ATOM 0 HG23 VAL A 317 3.531 7.731 3.504 1.00 0.00 H new ATOM 44 N TRP A 318 -0.599 7.703 1.522 1.00 0.00 N ATOM 45 CA TRP A 318 -1.879 8.184 2.023 1.00 0.00 C ATOM 46 C TRP A 318 -2.864 7.035 2.211 1.00 0.00 C ATOM 47 O TRP A 318 -3.803 7.134 3.001 1.00 0.00 O ATOM 48 CB TRP A 318 -2.468 9.227 1.071 1.00 0.00 C ATOM 49 CG TRP A 318 -2.746 8.695 -0.302 1.00 0.00 C ATOM 50 CD1 TRP A 318 -1.902 8.720 -1.373 1.00 0.00 C ATOM 51 CD2 TRP A 318 -3.948 8.057 -0.752 1.00 0.00 C ATOM 52 NE1 TRP A 318 -2.504 8.140 -2.462 1.00 0.00 N ATOM 53 CE2 TRP A 318 -3.761 7.724 -2.105 1.00 0.00 C ATOM 54 CE3 TRP A 318 -5.165 7.737 -0.139 1.00 0.00 C ATOM 55 CZ2 TRP A 318 -4.739 7.090 -2.856 1.00 0.00 C ATOM 56 CZ3 TRP A 318 -6.145 7.100 -0.891 1.00 0.00 C ATOM 57 CH2 TRP A 318 -5.938 6.786 -2.210 1.00 0.00 C ATOM 0 H TRP A 318 -0.499 7.751 0.508 1.00 0.00 H new ATOM 0 HA TRP A 318 -1.704 8.647 2.994 1.00 0.00 H new ATOM 0 HB2 TRP A 318 -3.394 9.613 1.496 1.00 0.00 H new ATOM 0 HB3 TRP A 318 -1.778 10.067 0.993 1.00 0.00 H new ATOM 0 HD1 TRP A 318 -0.905 9.136 -1.366 1.00 0.00 H new ATOM 0 HE1 TRP A 318 -2.085 8.036 -3.386 1.00 0.00 H new ATOM 0 HE3 TRP A 318 -5.339 7.980 0.899 1.00 0.00 H new ATOM 0 HZ2 TRP A 318 -4.580 6.842 -3.895 1.00 0.00 H new ATOM 0 HZ3 TRP A 318 -7.087 6.847 -0.428 1.00 0.00 H new ATOM 0 HH2 TRP A 318 -6.723 6.291 -2.763 1.00 0.00 H new ATOM 68 N GLU A 319 -2.643 5.948 1.480 1.00 0.00 N ATOM 69 CA GLU A 319 -3.451 4.744 1.634 1.00 0.00 C ATOM 70 C GLU A 319 -3.176 4.064 2.969 1.00 0.00 C ATOM 71 O GLU A 319 -4.084 3.519 3.598 1.00 0.00 O ATOM 72 CB GLU A 319 -3.187 3.772 0.483 1.00 0.00 C ATOM 73 CG GLU A 319 -3.799 4.190 -0.847 1.00 0.00 C ATOM 74 CD GLU A 319 -3.366 3.275 -1.958 1.00 0.00 C ATOM 75 OE1 GLU A 319 -2.514 2.452 -1.727 1.00 0.00 O ATOM 76 OE2 GLU A 319 -3.967 3.322 -3.007 1.00 0.00 O1- ATOM 0 H GLU A 319 -1.910 5.876 0.774 1.00 0.00 H new ATOM 0 HA GLU A 319 -4.500 5.040 1.613 1.00 0.00 H new ATOM 0 HB2 GLU A 319 -2.110 3.663 0.355 1.00 0.00 H new ATOM 0 HB3 GLU A 319 -3.576 2.791 0.756 1.00 0.00 H new ATOM 0 HG2 GLU A 319 -4.886 4.181 -0.768 1.00 0.00 H new ATOM 0 HG3 GLU A 319 -3.504 5.213 -1.080 1.00 0.00 H new ATOM 83 N ILE A 320 -1.919 4.097 3.397 1.00 0.00 N ATOM 84 CA ILE A 320 -1.541 3.577 4.705 1.00 0.00 C ATOM 85 C ILE A 320 -1.933 4.541 5.817 1.00 0.00 C ATOM 86 O ILE A 320 -2.408 4.126 6.874 1.00 0.00 O ATOM 87 CB ILE A 320 -0.028 3.301 4.788 1.00 0.00 C ATOM 88 CG1 ILE A 320 0.360 2.166 3.836 1.00 0.00 C ATOM 89 CG2 ILE A 320 0.374 2.964 6.215 1.00 0.00 C ATOM 90 CD1 ILE A 320 1.853 2.001 3.660 1.00 0.00 C ATOM 0 H ILE A 320 -1.143 4.479 2.856 1.00 0.00 H new ATOM 0 HA ILE A 320 -2.080 2.639 4.836 1.00 0.00 H new ATOM 0 HB ILE A 320 0.506 4.202 4.486 1.00 0.00 H new ATOM 0 HG12 ILE A 320 -0.058 1.231 4.210 1.00 0.00 H new ATOM 0 HG13 ILE A 320 -0.093 2.350 2.862 1.00 0.00 H new ATOM 0 HG21 ILE A 320 1.446 2.772 6.255 1.00 0.00 H new ATOM 0 HG22 ILE A 320 0.131 3.801 6.869 1.00 0.00 H new ATOM 0 HG23 ILE A 320 -0.166 2.077 6.545 1.00 0.00 H new ATOM 0 HD11 ILE A 320 2.050 1.178 2.972 1.00 0.00 H new ATOM 0 HD12 ILE A 320 2.276 2.921 3.256 1.00 0.00 H new ATOM 0 HD13 ILE A 320 2.311 1.785 4.625 1.00 0.00 H new ATOM 102 N LEU A 321 -1.731 5.832 5.571 1.00 0.00 N ATOM 103 CA LEU A 321 -2.085 6.859 6.542 1.00 0.00 C ATOM 104 C LEU A 321 -3.555 6.768 6.933 1.00 0.00 C ATOM 105 O LEU A 321 -3.934 7.123 8.049 1.00 0.00 O ATOM 106 CB LEU A 321 -1.768 8.252 5.980 1.00 0.00 C ATOM 107 CG LEU A 321 -0.429 8.848 6.430 1.00 0.00 C ATOM 108 CD1 LEU A 321 0.580 7.736 6.681 1.00 0.00 C ATOM 109 CD2 LEU A 321 0.082 9.810 5.367 1.00 0.00 C ATOM 0 H LEU A 321 -1.324 6.191 4.707 1.00 0.00 H new ATOM 0 HA LEU A 321 -1.489 6.694 7.440 1.00 0.00 H new ATOM 0 HB2 LEU A 321 -1.776 8.197 4.891 1.00 0.00 H new ATOM 0 HB3 LEU A 321 -2.567 8.934 6.271 1.00 0.00 H new ATOM 0 HG LEU A 321 -0.570 9.397 7.361 1.00 0.00 H new ATOM 0 HD11 LEU A 321 1.528 8.170 7.000 1.00 0.00 H new ATOM 0 HD12 LEU A 321 0.204 7.073 7.460 1.00 0.00 H new ATOM 0 HD13 LEU A 321 0.732 7.168 5.763 1.00 0.00 H new ATOM 0 HD21 LEU A 321 1.034 10.234 5.687 1.00 0.00 H new ATOM 0 HD22 LEU A 321 0.221 9.274 4.428 1.00 0.00 H new ATOM 0 HD23 LEU A 321 -0.642 10.612 5.224 1.00 0.00 H new ATOM 121 N ARG A 322 -4.379 6.289 6.007 1.00 0.00 N ATOM 122 CA ARG A 322 -5.808 6.143 6.254 1.00 0.00 C ATOM 123 C ARG A 322 -6.069 5.312 7.504 1.00 0.00 C ATOM 124 O ARG A 322 -6.941 5.640 8.308 1.00 0.00 O ATOM 125 CB ARG A 322 -6.545 5.582 5.047 1.00 0.00 C ATOM 126 CG ARG A 322 -8.048 5.433 5.229 1.00 0.00 C ATOM 127 CD ARG A 322 -8.761 4.928 4.027 1.00 0.00 C ATOM 128 NE ARG A 322 -10.204 4.826 4.183 1.00 0.00 N ATOM 129 CZ ARG A 322 -10.840 3.786 4.756 1.00 0.00 C ATOM 130 NH1 ARG A 322 -10.172 2.743 5.197 1.00 0.00 N1+ ATOM 131 NH2 ARG A 322 -12.158 3.832 4.845 1.00 0.00 N ATOM 0 H ARG A 322 -4.080 5.995 5.077 1.00 0.00 H new ATOM 0 HA ARG A 322 -6.207 7.142 6.429 1.00 0.00 H new ATOM 0 HB2 ARG A 322 -6.360 6.232 4.192 1.00 0.00 H new ATOM 0 HB3 ARG A 322 -6.124 4.606 4.803 1.00 0.00 H new ATOM 0 HG2 ARG A 322 -8.236 4.754 6.061 1.00 0.00 H new ATOM 0 HG3 ARG A 322 -8.467 6.401 5.506 1.00 0.00 H new ATOM 0 HD2 ARG A 322 -8.544 5.588 3.187 1.00 0.00 H new ATOM 0 HD3 ARG A 322 -8.365 3.945 3.771 1.00 0.00 H new ATOM 0 HE ARG A 322 -10.774 5.596 3.834 1.00 0.00 H new ATOM 0 HH11 ARG A 322 -9.156 2.713 5.108 1.00 0.00 H new ATOM 0 HH12 ARG A 322 -10.669 1.964 5.628 1.00 0.00 H new ATOM 0 HH21 ARG A 322 -12.666 4.640 4.485 1.00 0.00 H new ATOM 0 HH22 ARG A 322 -12.667 3.059 5.274 1.00 0.00 H new ATOM 145 N GLN A 323 -5.308 4.235 7.660 1.00 0.00 N ATOM 146 CA GLN A 323 -5.549 3.275 8.732 1.00 0.00 C ATOM 147 C GLN A 323 -4.440 3.325 9.775 1.00 0.00 C ATOM 148 O GLN A 323 -4.559 2.737 10.850 1.00 0.00 O ATOM 149 CB GLN A 323 -5.664 1.857 8.167 1.00 0.00 C ATOM 150 CG GLN A 323 -6.854 1.649 7.246 1.00 0.00 C ATOM 151 CD GLN A 323 -6.925 0.234 6.703 1.00 0.00 C ATOM 152 OE1 GLN A 323 -6.264 -0.675 7.213 1.00 0.00 O ATOM 153 NE2 GLN A 323 -7.726 0.042 5.661 1.00 0.00 N ATOM 0 H GLN A 323 -4.518 4.004 7.057 1.00 0.00 H new ATOM 0 HA GLN A 323 -6.489 3.546 9.213 1.00 0.00 H new ATOM 0 HB2 GLN A 323 -4.751 1.620 7.621 1.00 0.00 H new ATOM 0 HB3 GLN A 323 -5.732 1.152 8.996 1.00 0.00 H new ATOM 0 HG2 GLN A 323 -7.773 1.874 7.788 1.00 0.00 H new ATOM 0 HG3 GLN A 323 -6.794 2.352 6.415 1.00 0.00 H new ATOM 0 HE21 GLN A 323 -8.254 0.824 5.272 1.00 0.00 H new ATOM 0 HE22 GLN A 323 -7.814 -0.887 5.249 1.00 0.00 H new ATOM 162 N ALA A 324 -3.360 4.029 9.451 1.00 0.00 N ATOM 163 CA ALA A 324 -2.227 4.154 10.359 1.00 0.00 C ATOM 164 C ALA A 324 -2.520 5.152 11.472 1.00 0.00 C ATOM 165 O ALA A 324 -3.206 6.151 11.258 1.00 0.00 O ATOM 166 CB ALA A 324 -0.977 4.563 9.592 1.00 0.00 C ATOM 0 H ALA A 324 -3.246 4.522 8.565 1.00 0.00 H new ATOM 0 HA ALA A 324 -2.054 3.181 10.819 1.00 0.00 H new ATOM 0 HB1 ALA A 324 -0.139 4.652 10.283 1.00 0.00 H new ATOM 0 HB2 ALA A 324 -0.748 3.808 8.840 1.00 0.00 H new ATOM 0 HB3 ALA A 324 -1.148 5.522 9.103 1.00 0.00 H new ATOM 172 N PRO A 325 -1.995 4.875 12.662 1.00 0.00 N ATOM 173 CA PRO A 325 -2.082 5.812 13.774 1.00 0.00 C ATOM 174 C PRO A 325 -1.412 7.137 13.431 1.00 0.00 C ATOM 175 O PRO A 325 -0.461 7.180 12.651 1.00 0.00 O ATOM 176 CB PRO A 325 -1.376 5.091 14.927 1.00 0.00 C ATOM 177 CG PRO A 325 -1.390 3.655 14.530 1.00 0.00 C ATOM 178 CD PRO A 325 -1.253 3.653 13.032 1.00 0.00 C ATOM 0 HA PRO A 325 -3.110 6.073 14.027 1.00 0.00 H new ATOM 0 HB2 PRO A 325 -0.358 5.457 15.060 1.00 0.00 H new ATOM 0 HB3 PRO A 325 -1.897 5.247 15.872 1.00 0.00 H new ATOM 0 HG2 PRO A 325 -0.572 3.110 15.000 1.00 0.00 H new ATOM 0 HG3 PRO A 325 -2.316 3.171 14.840 1.00 0.00 H new ATOM 0 HD2 PRO A 325 -0.211 3.696 12.716 1.00 0.00 H new ATOM 0 HD3 PRO A 325 -1.686 2.759 12.583 1.00 0.00 H new ATOM 186 N PRO A 326 -1.914 8.217 14.019 1.00 0.00 N ATOM 187 CA PRO A 326 -1.357 9.545 13.786 1.00 0.00 C ATOM 188 C PRO A 326 0.136 9.576 14.084 1.00 0.00 C ATOM 189 O PRO A 326 0.895 10.287 13.425 1.00 0.00 O ATOM 190 CB PRO A 326 -2.152 10.455 14.729 1.00 0.00 C ATOM 191 CG PRO A 326 -3.453 9.752 14.913 1.00 0.00 C ATOM 192 CD PRO A 326 -3.118 8.285 14.914 1.00 0.00 C ATOM 0 HA PRO A 326 -1.443 9.862 12.747 1.00 0.00 H new ATOM 0 HB2 PRO A 326 -1.636 10.591 15.679 1.00 0.00 H new ATOM 0 HB3 PRO A 326 -2.293 11.446 14.299 1.00 0.00 H new ATOM 0 HG2 PRO A 326 -3.930 10.047 15.848 1.00 0.00 H new ATOM 0 HG3 PRO A 326 -4.148 9.996 14.110 1.00 0.00 H new ATOM 0 HD2 PRO A 326 -2.897 7.922 15.918 1.00 0.00 H new ATOM 0 HD3 PRO A 326 -3.941 7.682 14.531 1.00 0.00 H new ATOM 200 N SER A 327 0.552 8.802 15.079 1.00 0.00 N ATOM 201 CA SER A 327 1.936 8.821 15.539 1.00 0.00 C ATOM 202 C SER A 327 2.853 8.108 14.554 1.00 0.00 C ATOM 203 O SER A 327 4.071 8.278 14.592 1.00 0.00 O ATOM 204 CB SER A 327 2.039 8.185 16.912 1.00 0.00 C ATOM 205 OG SER A 327 1.741 6.817 16.882 1.00 0.00 O ATOM 0 H SER A 327 -0.050 8.152 15.584 1.00 0.00 H new ATOM 0 HA SER A 327 2.258 9.860 15.605 1.00 0.00 H new ATOM 0 HB2 SER A 327 3.047 8.328 17.303 1.00 0.00 H new ATOM 0 HB3 SER A 327 1.357 8.689 17.597 1.00 0.00 H new ATOM 0 HG SER A 327 2.502 6.324 16.510 1.00 0.00 H new ATOM 211 N GLU A 328 2.260 7.310 13.673 1.00 0.00 N ATOM 212 CA GLU A 328 3.028 6.503 12.732 1.00 0.00 C ATOM 213 C GLU A 328 3.077 7.155 11.357 1.00 0.00 C ATOM 214 O GLU A 328 3.696 6.630 10.432 1.00 0.00 O ATOM 215 CB GLU A 328 2.436 5.096 12.626 1.00 0.00 C ATOM 216 CG GLU A 328 2.256 4.387 13.961 1.00 0.00 C ATOM 217 CD GLU A 328 3.546 4.338 14.731 1.00 0.00 C ATOM 218 OE1 GLU A 328 4.485 3.755 14.246 1.00 0.00 O ATOM 219 OE2 GLU A 328 3.628 4.978 15.754 1.00 0.00 O1- ATOM 0 H GLU A 328 1.249 7.205 13.591 1.00 0.00 H new ATOM 0 HA GLU A 328 4.048 6.431 13.110 1.00 0.00 H new ATOM 0 HB2 GLU A 328 1.468 5.159 12.128 1.00 0.00 H new ATOM 0 HB3 GLU A 328 3.082 4.490 11.991 1.00 0.00 H new ATOM 0 HG2 GLU A 328 1.498 4.903 14.550 1.00 0.00 H new ATOM 0 HG3 GLU A 328 1.893 3.374 13.791 1.00 0.00 H new ATOM 226 N TYR A 329 2.420 8.303 11.229 1.00 0.00 N ATOM 227 CA TYR A 329 2.357 9.011 9.956 1.00 0.00 C ATOM 228 C TYR A 329 3.749 9.397 9.470 1.00 0.00 C ATOM 229 O TYR A 329 4.056 9.281 8.284 1.00 0.00 O ATOM 230 CB TYR A 329 1.482 10.261 10.081 1.00 0.00 C ATOM 231 CG TYR A 329 -0.003 9.970 10.088 1.00 0.00 C ATOM 232 CD1 TYR A 329 -0.480 8.691 9.841 1.00 0.00 C ATOM 233 CD2 TYR A 329 -0.923 10.976 10.343 1.00 0.00 C ATOM 234 CE1 TYR A 329 -1.835 8.421 9.845 1.00 0.00 C ATOM 235 CE2 TYR A 329 -2.280 10.717 10.350 1.00 0.00 C ATOM 236 CZ TYR A 329 -2.732 9.437 10.101 1.00 0.00 C ATOM 237 OH TYR A 329 -4.083 9.173 10.107 1.00 0.00 O ATOM 0 H TYR A 329 1.923 8.763 11.992 1.00 0.00 H new ATOM 0 HA TYR A 329 1.913 8.338 9.223 1.00 0.00 H new ATOM 0 HB2 TYR A 329 1.744 10.786 11.000 1.00 0.00 H new ATOM 0 HB3 TYR A 329 1.707 10.934 9.254 1.00 0.00 H new ATOM 0 HD1 TYR A 329 0.220 7.893 9.642 1.00 0.00 H new ATOM 0 HD2 TYR A 329 -0.573 11.979 10.539 1.00 0.00 H new ATOM 0 HE1 TYR A 329 -2.190 7.420 9.649 1.00 0.00 H new ATOM 0 HE2 TYR A 329 -2.983 11.512 10.549 1.00 0.00 H new ATOM 0 HH TYR A 329 -4.282 8.472 9.452 1.00 0.00 H new ATOM 247 N GLU A 330 4.587 9.854 10.394 1.00 0.00 N ATOM 248 CA GLU A 330 5.947 10.258 10.061 1.00 0.00 C ATOM 249 C GLU A 330 6.802 9.055 9.681 1.00 0.00 C ATOM 250 O GLU A 330 7.704 9.160 8.850 1.00 0.00 O ATOM 251 CB GLU A 330 6.585 11.008 11.232 1.00 0.00 C ATOM 252 CG GLU A 330 5.997 12.388 11.492 1.00 0.00 C ATOM 253 CD GLU A 330 6.606 13.021 12.711 1.00 0.00 C ATOM 254 OE1 GLU A 330 7.403 12.381 13.356 1.00 0.00 O ATOM 255 OE2 GLU A 330 6.362 14.183 12.937 1.00 0.00 O1- ATOM 0 H GLU A 330 4.347 9.954 11.380 1.00 0.00 H new ATOM 0 HA GLU A 330 5.895 10.924 9.200 1.00 0.00 H new ATOM 0 HB2 GLU A 330 6.479 10.406 12.134 1.00 0.00 H new ATOM 0 HB3 GLU A 330 7.653 11.112 11.042 1.00 0.00 H new ATOM 0 HG2 GLU A 330 6.166 13.027 10.625 1.00 0.00 H new ATOM 0 HG3 GLU A 330 4.918 12.307 11.623 1.00 0.00 H new ATOM 262 N ARG A 331 6.513 7.913 10.297 1.00 0.00 N ATOM 263 CA ARG A 331 7.267 6.693 10.040 1.00 0.00 C ATOM 264 C ARG A 331 6.962 6.138 8.654 1.00 0.00 C ATOM 265 O ARG A 331 7.839 5.591 7.987 1.00 0.00 O ATOM 266 CB ARG A 331 7.049 5.644 11.120 1.00 0.00 C ATOM 267 CG ARG A 331 7.721 5.946 12.450 1.00 0.00 C ATOM 268 CD ARG A 331 7.337 5.029 13.553 1.00 0.00 C ATOM 269 NE ARG A 331 8.107 5.201 14.775 1.00 0.00 N ATOM 270 CZ ARG A 331 7.799 4.634 15.958 1.00 0.00 C ATOM 271 NH1 ARG A 331 6.723 3.891 16.094 1.00 0.00 N1+ ATOM 272 NH2 ARG A 331 8.596 4.865 16.987 1.00 0.00 N ATOM 0 H ARG A 331 5.761 7.808 10.978 1.00 0.00 H new ATOM 0 HA ARG A 331 8.324 6.959 10.069 1.00 0.00 H new ATOM 0 HB2 ARG A 331 5.978 5.533 11.288 1.00 0.00 H new ATOM 0 HB3 ARG A 331 7.415 4.685 10.754 1.00 0.00 H new ATOM 0 HG2 ARG A 331 8.802 5.901 12.316 1.00 0.00 H new ATOM 0 HG3 ARG A 331 7.479 6.968 12.742 1.00 0.00 H new ATOM 0 HD2 ARG A 331 6.281 5.176 13.780 1.00 0.00 H new ATOM 0 HD3 ARG A 331 7.449 4.001 13.209 1.00 0.00 H new ATOM 0 HE ARG A 331 8.938 5.792 14.734 1.00 0.00 H new ATOM 0 HH11 ARG A 331 6.106 3.736 15.297 1.00 0.00 H new ATOM 0 HH12 ARG A 331 6.505 3.469 16.997 1.00 0.00 H new ATOM 0 HH21 ARG A 331 9.418 5.458 16.873 1.00 0.00 H new ATOM 0 HH22 ARG A 331 8.389 4.450 17.895 1.00 0.00 H new ATOM 286 N ILE A 332 5.712 6.281 8.227 1.00 0.00 N ATOM 287 CA ILE A 332 5.301 5.842 6.900 1.00 0.00 C ATOM 288 C ILE A 332 5.800 6.798 5.824 1.00 0.00 C ATOM 289 O ILE A 332 6.314 6.372 4.790 1.00 0.00 O ATOM 290 CB ILE A 332 3.770 5.719 6.793 1.00 0.00 C ATOM 291 CG1 ILE A 332 3.248 4.675 7.784 1.00 0.00 C ATOM 292 CG2 ILE A 332 3.362 5.359 5.373 1.00 0.00 C ATOM 293 CD1 ILE A 332 3.816 3.291 7.569 1.00 0.00 C ATOM 0 H ILE A 332 4.965 6.698 8.782 1.00 0.00 H new ATOM 0 HA ILE A 332 5.746 4.859 6.744 1.00 0.00 H new ATOM 0 HB ILE A 332 3.327 6.683 7.043 1.00 0.00 H new ATOM 0 HG12 ILE A 332 3.483 5.000 8.797 1.00 0.00 H new ATOM 0 HG13 ILE A 332 2.162 4.627 7.708 1.00 0.00 H new ATOM 0 HG21 ILE A 332 2.277 5.276 5.316 1.00 0.00 H new ATOM 0 HG22 ILE A 332 3.703 6.136 4.688 1.00 0.00 H new ATOM 0 HG23 ILE A 332 3.813 4.407 5.095 1.00 0.00 H new ATOM 0 HD11 ILE A 332 3.399 2.608 8.309 1.00 0.00 H new ATOM 0 HD12 ILE A 332 3.559 2.943 6.568 1.00 0.00 H new ATOM 0 HD13 ILE A 332 4.900 3.322 7.674 1.00 0.00 H new ATOM 305 N ALA A 333 5.645 8.094 6.073 1.00 0.00 N ATOM 306 CA ALA A 333 6.147 9.115 5.162 1.00 0.00 C ATOM 307 C ALA A 333 7.654 8.994 4.976 1.00 0.00 C ATOM 308 O ALA A 333 8.171 9.188 3.876 1.00 0.00 O ATOM 309 CB ALA A 333 5.783 10.503 5.669 1.00 0.00 C ATOM 0 H ALA A 333 5.175 8.462 6.900 1.00 0.00 H new ATOM 0 HA ALA A 333 5.676 8.962 4.191 1.00 0.00 H new ATOM 0 HB1 ALA A 333 6.165 11.254 4.978 1.00 0.00 H new ATOM 0 HB2 ALA A 333 4.699 10.592 5.739 1.00 0.00 H new ATOM 0 HB3 ALA A 333 6.224 10.658 6.654 1.00 0.00 H new ATOM 315 N PHE A 334 8.355 8.673 6.058 1.00 0.00 N ATOM 316 CA PHE A 334 9.797 8.461 6.002 1.00 0.00 C ATOM 317 C PHE A 334 10.158 7.399 4.971 1.00 0.00 C ATOM 318 O PHE A 334 11.040 7.604 4.138 1.00 0.00 O ATOM 319 CB PHE A 334 10.331 8.062 7.379 1.00 0.00 C ATOM 320 CG PHE A 334 11.799 7.739 7.388 1.00 0.00 C ATOM 321 CD1 PHE A 334 12.746 8.752 7.421 1.00 0.00 C ATOM 322 CD2 PHE A 334 12.236 6.424 7.363 1.00 0.00 C ATOM 323 CE1 PHE A 334 14.096 8.457 7.430 1.00 0.00 C ATOM 324 CE2 PHE A 334 13.584 6.126 7.373 1.00 0.00 C ATOM 325 CZ PHE A 334 14.515 7.143 7.406 1.00 0.00 C ATOM 0 H PHE A 334 7.948 8.554 6.985 1.00 0.00 H new ATOM 0 HA PHE A 334 10.262 9.399 5.700 1.00 0.00 H new ATOM 0 HB2 PHE A 334 10.142 8.874 8.081 1.00 0.00 H new ATOM 0 HB3 PHE A 334 9.775 7.195 7.737 1.00 0.00 H new ATOM 0 HD1 PHE A 334 12.425 9.783 7.440 1.00 0.00 H new ATOM 0 HD2 PHE A 334 11.513 5.622 7.335 1.00 0.00 H new ATOM 0 HE1 PHE A 334 14.823 9.255 7.456 1.00 0.00 H new ATOM 0 HE2 PHE A 334 13.910 5.096 7.355 1.00 0.00 H new ATOM 0 HZ PHE A 334 15.570 6.911 7.413 1.00 0.00 H new ATOM 335 N GLN A 335 9.471 6.263 5.034 1.00 0.00 N ATOM 336 CA GLN A 335 9.767 5.140 4.154 1.00 0.00 C ATOM 337 C GLN A 335 9.460 5.481 2.701 1.00 0.00 C ATOM 338 O GLN A 335 10.159 5.038 1.789 1.00 0.00 O ATOM 339 CB GLN A 335 8.966 3.904 4.574 1.00 0.00 C ATOM 340 CG GLN A 335 9.416 3.287 5.887 1.00 0.00 C ATOM 341 CD GLN A 335 8.547 2.116 6.305 1.00 0.00 C ATOM 342 OE1 GLN A 335 7.594 1.753 5.609 1.00 0.00 O ATOM 343 NE2 GLN A 335 8.867 1.521 7.448 1.00 0.00 N ATOM 0 H GLN A 335 8.705 6.096 5.686 1.00 0.00 H new ATOM 0 HA GLN A 335 10.832 4.925 4.241 1.00 0.00 H new ATOM 0 HB2 GLN A 335 7.914 4.177 4.656 1.00 0.00 H new ATOM 0 HB3 GLN A 335 9.040 3.152 3.788 1.00 0.00 H new ATOM 0 HG2 GLN A 335 10.449 2.953 5.793 1.00 0.00 H new ATOM 0 HG3 GLN A 335 9.396 4.047 6.668 1.00 0.00 H new ATOM 0 HE21 GLN A 335 9.663 1.855 7.991 1.00 0.00 H new ATOM 0 HE22 GLN A 335 8.317 0.730 7.783 1.00 0.00 H new ATOM 352 N HIS A 336 8.414 6.271 2.493 1.00 0.00 N ATOM 353 CA HIS A 336 8.009 6.669 1.150 1.00 0.00 C ATOM 354 C HIS A 336 8.874 7.809 0.628 1.00 0.00 C ATOM 355 O HIS A 336 8.982 8.015 -0.581 1.00 0.00 O ATOM 356 CB HIS A 336 6.533 7.079 1.129 1.00 0.00 C ATOM 357 CG HIS A 336 5.585 5.921 1.161 1.00 0.00 C ATOM 358 ND1 HIS A 336 5.329 5.201 2.309 1.00 0.00 N ATOM 359 CD2 HIS A 336 4.832 5.358 0.187 1.00 0.00 C ATOM 360 CE1 HIS A 336 4.458 4.244 2.038 1.00 0.00 C ATOM 361 NE2 HIS A 336 4.142 4.317 0.758 1.00 0.00 N ATOM 0 H HIS A 336 7.830 6.649 3.238 1.00 0.00 H new ATOM 0 HA HIS A 336 8.146 5.808 0.496 1.00 0.00 H new ATOM 0 HB2 HIS A 336 6.332 7.725 1.984 1.00 0.00 H new ATOM 0 HB3 HIS A 336 6.342 7.669 0.232 1.00 0.00 H new ATOM 0 HD2 HIS A 336 4.783 5.669 -0.846 1.00 0.00 H new ATOM 0 HE1 HIS A 336 4.071 3.524 2.744 1.00 0.00 H new ATOM 0 HE2 HIS A 336 3.491 3.700 0.272 1.00 0.00 H new ATOM 368 N GLY A 337 9.489 8.545 1.546 1.00 0.00 N ATOM 369 CA GLY A 337 10.326 9.682 1.181 1.00 0.00 C ATOM 370 C GLY A 337 9.499 10.953 1.040 1.00 0.00 C ATOM 371 O GLY A 337 9.870 11.870 0.307 1.00 0.00 O ATOM 0 H GLY A 337 9.424 8.375 2.550 1.00 0.00 H new ATOM 0 HA2 GLY A 337 11.096 9.828 1.939 1.00 0.00 H new ATOM 0 HA3 GLY A 337 10.839 9.473 0.242 1.00 0.00 H new ATOM 375 N VAL A 338 8.375 11.002 1.747 1.00 0.00 N ATOM 376 CA VAL A 338 7.481 12.153 1.686 1.00 0.00 C ATOM 377 C VAL A 338 7.890 13.224 2.690 1.00 0.00 C ATOM 378 O VAL A 338 8.010 12.954 3.885 1.00 0.00 O ATOM 379 CB VAL A 338 6.019 11.747 1.950 1.00 0.00 C ATOM 380 CG1 VAL A 338 5.122 12.976 1.983 1.00 0.00 C ATOM 381 CG2 VAL A 338 5.538 10.766 0.892 1.00 0.00 C ATOM 0 H VAL A 338 8.061 10.257 2.369 1.00 0.00 H new ATOM 0 HA VAL A 338 7.560 12.558 0.677 1.00 0.00 H new ATOM 0 HB VAL A 338 5.969 11.257 2.922 1.00 0.00 H new ATOM 0 HG11 VAL A 338 4.093 12.670 2.171 1.00 0.00 H new ATOM 0 HG12 VAL A 338 5.452 13.646 2.777 1.00 0.00 H new ATOM 0 HG13 VAL A 338 5.178 13.493 1.025 1.00 0.00 H new ATOM 0 HG21 VAL A 338 4.503 10.490 1.095 1.00 0.00 H new ATOM 0 HG22 VAL A 338 5.604 11.231 -0.092 1.00 0.00 H new ATOM 0 HG23 VAL A 338 6.162 9.873 0.914 1.00 0.00 H new ATOM 391 N THR A 339 8.104 14.439 2.197 1.00 0.00 N ATOM 392 CA THR A 339 8.465 15.561 3.055 1.00 0.00 C ATOM 393 C THR A 339 7.244 16.400 3.407 1.00 0.00 C ATOM 394 O THR A 339 7.216 17.070 4.441 1.00 0.00 O ATOM 395 CB THR A 339 9.521 16.463 2.389 1.00 0.00 C ATOM 396 OG1 THR A 339 8.992 17.003 1.171 1.00 0.00 O ATOM 397 CG2 THR A 339 10.783 15.672 2.084 1.00 0.00 C ATOM 0 H THR A 339 8.034 14.672 1.206 1.00 0.00 H new ATOM 0 HA THR A 339 8.885 15.137 3.967 1.00 0.00 H new ATOM 0 HB THR A 339 9.770 17.273 3.075 1.00 0.00 H new ATOM 0 HG1 THR A 339 9.664 17.578 0.749 1.00 0.00 H new ATOM 0 HG21 THR A 339 11.517 16.326 1.614 1.00 0.00 H new ATOM 0 HG22 THR A 339 11.194 15.271 3.011 1.00 0.00 H new ATOM 0 HG23 THR A 339 10.543 14.851 1.409 1.00 0.00 H new ATOM 405 N ASP A 340 6.235 16.361 2.544 1.00 0.00 N ATOM 406 CA ASP A 340 4.975 17.046 2.805 1.00 0.00 C ATOM 407 C ASP A 340 3.924 16.081 3.338 1.00 0.00 C ATOM 408 O ASP A 340 3.037 15.646 2.602 1.00 0.00 O ATOM 409 CB ASP A 340 4.464 17.733 1.536 1.00 0.00 C ATOM 410 CG ASP A 340 3.260 18.639 1.754 1.00 0.00 C ATOM 411 OD1 ASP A 340 2.802 18.730 2.867 1.00 0.00 O ATOM 412 OD2 ASP A 340 2.908 19.352 0.844 1.00 0.00 O1- ATOM 0 H ASP A 340 6.266 15.861 1.656 1.00 0.00 H new ATOM 0 HA ASP A 340 5.160 17.804 3.567 1.00 0.00 H new ATOM 0 HB2 ASP A 340 5.274 18.322 1.105 1.00 0.00 H new ATOM 0 HB3 ASP A 340 4.201 16.969 0.804 1.00 0.00 H new ATOM 417 N LEU A 341 4.027 15.750 4.620 1.00 0.00 N ATOM 418 CA LEU A 341 3.104 14.811 5.245 1.00 0.00 C ATOM 419 C LEU A 341 1.675 15.337 5.213 1.00 0.00 C ATOM 420 O LEU A 341 0.740 14.604 4.891 1.00 0.00 O ATOM 421 CB LEU A 341 3.535 14.526 6.690 1.00 0.00 C ATOM 422 CG LEU A 341 2.585 13.626 7.489 1.00 0.00 C ATOM 423 CD1 LEU A 341 2.456 12.268 6.812 1.00 0.00 C ATOM 424 CD2 LEU A 341 3.106 13.471 8.911 1.00 0.00 C ATOM 0 H LEU A 341 4.742 16.119 5.247 1.00 0.00 H new ATOM 0 HA LEU A 341 3.132 13.881 4.676 1.00 0.00 H new ATOM 0 HB2 LEU A 341 4.521 14.062 6.673 1.00 0.00 H new ATOM 0 HB3 LEU A 341 3.638 15.475 7.215 1.00 0.00 H new ATOM 0 HG LEU A 341 1.597 14.084 7.525 1.00 0.00 H new ATOM 0 HD11 LEU A 341 1.779 11.637 7.388 1.00 0.00 H new ATOM 0 HD12 LEU A 341 2.061 12.400 5.805 1.00 0.00 H new ATOM 0 HD13 LEU A 341 3.436 11.794 6.758 1.00 0.00 H new ATOM 0 HD21 LEU A 341 2.430 12.831 9.478 1.00 0.00 H new ATOM 0 HD22 LEU A 341 4.098 13.021 8.888 1.00 0.00 H new ATOM 0 HD23 LEU A 341 3.163 14.450 9.386 1.00 0.00 H new ATOM 436 N ARG A 342 1.512 16.613 5.549 1.00 0.00 N ATOM 437 CA ARG A 342 0.189 17.221 5.627 1.00 0.00 C ATOM 438 C ARG A 342 -0.477 17.268 4.258 1.00 0.00 C ATOM 439 O ARG A 342 -1.687 17.078 4.140 1.00 0.00 O ATOM 440 CB ARG A 342 0.229 18.597 6.274 1.00 0.00 C ATOM 441 CG ARG A 342 0.500 18.594 7.770 1.00 0.00 C ATOM 442 CD ARG A 342 0.594 19.944 8.380 1.00 0.00 C ATOM 443 NE ARG A 342 0.853 19.943 9.811 1.00 0.00 N ATOM 444 CZ ARG A 342 1.043 21.051 10.554 1.00 0.00 C ATOM 445 NH1 ARG A 342 1.041 22.245 10.005 1.00 0.00 N1+ ATOM 446 NH2 ARG A 342 1.256 20.904 11.851 1.00 0.00 N ATOM 0 H ARG A 342 2.280 17.246 5.772 1.00 0.00 H new ATOM 0 HA ARG A 342 -0.419 16.586 6.272 1.00 0.00 H new ATOM 0 HB2 ARG A 342 0.998 19.192 5.781 1.00 0.00 H new ATOM 0 HB3 ARG A 342 -0.723 19.095 6.093 1.00 0.00 H new ATOM 0 HG2 ARG A 342 -0.293 18.038 8.269 1.00 0.00 H new ATOM 0 HG3 ARG A 342 1.431 18.059 7.957 1.00 0.00 H new ATOM 0 HD2 ARG A 342 1.387 20.500 7.880 1.00 0.00 H new ATOM 0 HD3 ARG A 342 -0.337 20.479 8.193 1.00 0.00 H new ATOM 0 HE ARG A 342 0.894 19.041 10.285 1.00 0.00 H new ATOM 0 HH11 ARG A 342 0.894 22.344 9.001 1.00 0.00 H new ATOM 0 HH12 ARG A 342 1.186 23.072 10.583 1.00 0.00 H new ATOM 0 HH21 ARG A 342 1.273 19.971 12.262 1.00 0.00 H new ATOM 0 HH22 ARG A 342 1.403 21.724 12.440 1.00 0.00 H new ATOM 460 N GLY A 343 0.320 17.521 3.226 1.00 0.00 N ATOM 461 CA GLY A 343 -0.183 17.546 1.857 1.00 0.00 C ATOM 462 C GLY A 343 -0.791 16.204 1.471 1.00 0.00 C ATOM 463 O GLY A 343 -1.830 16.149 0.812 1.00 0.00 O ATOM 0 H GLY A 343 1.318 17.712 3.311 1.00 0.00 H new ATOM 0 HA2 GLY A 343 -0.933 18.331 1.756 1.00 0.00 H new ATOM 0 HA3 GLY A 343 0.629 17.791 1.172 1.00 0.00 H new ATOM 467 N MET A 344 -0.138 15.123 1.883 1.00 0.00 N ATOM 468 CA MET A 344 -0.624 13.779 1.597 1.00 0.00 C ATOM 469 C MET A 344 -1.854 13.448 2.433 1.00 0.00 C ATOM 470 O MET A 344 -2.749 12.732 1.983 1.00 0.00 O ATOM 471 CB MET A 344 0.479 12.753 1.851 1.00 0.00 C ATOM 472 CG MET A 344 1.648 12.833 0.880 1.00 0.00 C ATOM 473 SD MET A 344 1.156 12.527 -0.829 1.00 0.00 S ATOM 474 CE MET A 344 0.990 14.201 -1.438 1.00 0.00 C ATOM 0 H MET A 344 0.731 15.152 2.417 1.00 0.00 H new ATOM 0 HA MET A 344 -0.910 13.741 0.546 1.00 0.00 H new ATOM 0 HB2 MET A 344 0.855 12.886 2.865 1.00 0.00 H new ATOM 0 HB3 MET A 344 0.047 11.753 1.799 1.00 0.00 H new ATOM 0 HG2 MET A 344 2.107 13.819 0.951 1.00 0.00 H new ATOM 0 HG3 MET A 344 2.407 12.107 1.171 1.00 0.00 H new ATOM 0 HE1 MET A 344 0.107 14.271 -2.073 1.00 0.00 H new ATOM 0 HE2 MET A 344 0.887 14.886 -0.596 1.00 0.00 H new ATOM 0 HE3 MET A 344 1.875 14.467 -2.016 1.00 0.00 H new ATOM 484 N LEU A 345 -1.892 13.974 3.653 1.00 0.00 N ATOM 485 CA LEU A 345 -3.045 13.797 4.527 1.00 0.00 C ATOM 486 C LEU A 345 -4.248 14.582 4.018 1.00 0.00 C ATOM 487 O LEU A 345 -5.394 14.190 4.234 1.00 0.00 O ATOM 488 CB LEU A 345 -2.697 14.225 5.958 1.00 0.00 C ATOM 489 CG LEU A 345 -1.722 13.299 6.696 1.00 0.00 C ATOM 490 CD1 LEU A 345 -1.276 13.944 8.001 1.00 0.00 C ATOM 491 CD2 LEU A 345 -2.394 11.959 6.959 1.00 0.00 C ATOM 0 H LEU A 345 -1.137 14.527 4.059 1.00 0.00 H new ATOM 0 HA LEU A 345 -3.309 12.739 4.528 1.00 0.00 H new ATOM 0 HB2 LEU A 345 -2.269 15.227 5.927 1.00 0.00 H new ATOM 0 HB3 LEU A 345 -3.619 14.290 6.535 1.00 0.00 H new ATOM 0 HG LEU A 345 -0.839 13.134 6.078 1.00 0.00 H new ATOM 0 HD11 LEU A 345 -0.584 13.279 8.518 1.00 0.00 H new ATOM 0 HD12 LEU A 345 -0.779 14.890 7.788 1.00 0.00 H new ATOM 0 HD13 LEU A 345 -2.145 14.125 8.633 1.00 0.00 H new ATOM 0 HD21 LEU A 345 -1.701 11.301 7.483 1.00 0.00 H new ATOM 0 HD22 LEU A 345 -3.283 12.112 7.571 1.00 0.00 H new ATOM 0 HD23 LEU A 345 -2.680 11.503 6.011 1.00 0.00 H new ATOM 503 N LYS A 346 -3.979 15.694 3.341 1.00 0.00 N ATOM 504 CA LYS A 346 -5.035 16.503 2.747 1.00 0.00 C ATOM 505 C LYS A 346 -5.536 15.886 1.446 1.00 0.00 C ATOM 506 O LYS A 346 -6.722 15.969 1.126 1.00 0.00 O ATOM 507 CB LYS A 346 -4.542 17.929 2.496 1.00 0.00 C ATOM 508 CG LYS A 346 -4.377 18.768 3.756 1.00 0.00 C ATOM 509 CD LYS A 346 -3.875 20.166 3.429 1.00 0.00 C ATOM 510 CE LYS A 346 -3.677 20.994 4.691 1.00 0.00 C ATOM 511 NZ LYS A 346 -3.182 22.364 4.385 1.00 0.00 N1+ ATOM 0 H LYS A 346 -3.037 16.055 3.191 1.00 0.00 H new ATOM 0 HA LYS A 346 -5.866 16.535 3.452 1.00 0.00 H new ATOM 0 HB2 LYS A 346 -3.585 17.883 1.976 1.00 0.00 H new ATOM 0 HB3 LYS A 346 -5.243 18.431 1.829 1.00 0.00 H new ATOM 0 HG2 LYS A 346 -5.332 18.835 4.278 1.00 0.00 H new ATOM 0 HG3 LYS A 346 -3.677 18.277 4.433 1.00 0.00 H new ATOM 0 HD2 LYS A 346 -2.933 20.098 2.885 1.00 0.00 H new ATOM 0 HD3 LYS A 346 -4.587 20.666 2.772 1.00 0.00 H new ATOM 0 HE2 LYS A 346 -4.621 21.062 5.232 1.00 0.00 H new ATOM 0 HE3 LYS A 346 -2.968 20.490 5.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 346 -3.060 22.895 5.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 346 -2.269 22.301 3.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 346 -3.870 22.855 3.779 1.00 0.00 H new ATOM 525 N ARG A 347 -4.627 15.269 0.702 1.00 0.00 N ATOM 526 CA ARG A 347 -4.982 14.600 -0.544 1.00 0.00 C ATOM 527 C ARG A 347 -5.417 13.162 -0.291 1.00 0.00 C ATOM 528 O ARG A 347 -5.859 12.467 -1.206 1.00 0.00 O ATOM 529 CB ARG A 347 -3.864 14.671 -1.573 1.00 0.00 C ATOM 530 CG ARG A 347 -3.544 16.071 -2.073 1.00 0.00 C ATOM 531 CD ARG A 347 -4.564 16.643 -2.987 1.00 0.00 C ATOM 532 NE ARG A 347 -4.199 17.923 -3.573 1.00 0.00 N ATOM 533 CZ ARG A 347 -4.907 18.558 -4.528 1.00 0.00 C ATOM 534 NH1 ARG A 347 -5.994 18.020 -5.035 1.00 0.00 N1+ ATOM 535 NH2 ARG A 347 -4.466 19.726 -4.960 1.00 0.00 N ATOM 0 H ARG A 347 -3.636 15.218 0.940 1.00 0.00 H new ATOM 0 HA ARG A 347 -5.831 15.137 -0.966 1.00 0.00 H new ATOM 0 HB2 ARG A 347 -2.962 14.241 -1.138 1.00 0.00 H new ATOM 0 HB3 ARG A 347 -4.135 14.049 -2.426 1.00 0.00 H new ATOM 0 HG2 ARG A 347 -3.431 16.733 -1.215 1.00 0.00 H new ATOM 0 HG3 ARG A 347 -2.584 16.049 -2.588 1.00 0.00 H new ATOM 0 HD2 ARG A 347 -4.754 15.931 -3.790 1.00 0.00 H new ATOM 0 HD3 ARG A 347 -5.499 16.762 -2.439 1.00 0.00 H new ATOM 0 HE ARG A 347 -3.347 18.372 -3.237 1.00 0.00 H new ATOM 0 HH11 ARG A 347 -6.313 17.109 -4.706 1.00 0.00 H new ATOM 0 HH12 ARG A 347 -6.518 18.514 -5.757 1.00 0.00 H new ATOM 0 HH21 ARG A 347 -3.611 20.124 -4.571 1.00 0.00 H new ATOM 0 HH22 ARG A 347 -4.981 20.230 -5.682 1.00 0.00 H new ATOM 549 N LEU A 348 -5.287 12.720 0.955 1.00 0.00 N ATOM 550 CA LEU A 348 -5.740 11.390 1.348 1.00 0.00 C ATOM 551 C LEU A 348 -7.184 11.153 0.926 1.00 0.00 C ATOM 552 O LEU A 348 -7.480 10.209 0.195 1.00 0.00 O ATOM 553 CB LEU A 348 -5.589 11.205 2.863 1.00 0.00 C ATOM 554 CG LEU A 348 -5.650 9.753 3.353 1.00 0.00 C ATOM 555 CD1 LEU A 348 -5.175 9.669 4.797 1.00 0.00 C ATOM 556 CD2 LEU A 348 -7.074 9.232 3.222 1.00 0.00 C ATOM 0 H LEU A 348 -4.871 13.264 1.711 1.00 0.00 H new ATOM 0 HA LEU A 348 -5.117 10.656 0.838 1.00 0.00 H new ATOM 0 HB2 LEU A 348 -4.637 11.636 3.172 1.00 0.00 H new ATOM 0 HB3 LEU A 348 -6.374 11.773 3.362 1.00 0.00 H new ATOM 0 HG LEU A 348 -4.993 9.135 2.742 1.00 0.00 H new ATOM 0 HD11 LEU A 348 -5.222 8.634 5.136 1.00 0.00 H new ATOM 0 HD12 LEU A 348 -4.147 10.026 4.863 1.00 0.00 H new ATOM 0 HD13 LEU A 348 -5.815 10.286 5.427 1.00 0.00 H new ATOM 0 HD21 LEU A 348 -7.117 8.200 3.570 1.00 0.00 H new ATOM 0 HD22 LEU A 348 -7.743 9.847 3.824 1.00 0.00 H new ATOM 0 HD23 LEU A 348 -7.383 9.276 2.178 1.00 0.00 H new ATOM 568 N LYS A 349 -8.080 12.017 1.391 1.00 0.00 N ATOM 569 CA LYS A 349 -9.496 11.904 1.061 1.00 0.00 C ATOM 570 C LYS A 349 -9.831 12.684 -0.204 1.00 0.00 C ATOM 571 O LYS A 349 -9.593 12.210 -1.281 1.00 0.00 O ATOM 572 CB LYS A 349 -10.358 12.395 2.225 1.00 0.00 C ATOM 573 CG LYS A 349 -11.858 12.261 1.997 1.00 0.00 C ATOM 574 CD LYS A 349 -12.646 12.726 3.212 1.00 0.00 C ATOM 575 CE LYS A 349 -14.145 12.610 2.979 1.00 0.00 C ATOM 576 NZ LYS A 349 -14.929 13.019 4.176 1.00 0.00 N1+ ATOM 0 H LYS A 349 -7.850 12.804 1.998 1.00 0.00 H new ATOM 0 HA LYS A 349 -9.713 10.851 0.879 1.00 0.00 H new ATOM 0 HB2 LYS A 349 -10.088 11.837 3.122 1.00 0.00 H new ATOM 0 HB3 LYS A 349 -10.124 13.442 2.418 1.00 0.00 H new ATOM 0 HG2 LYS A 349 -12.149 12.848 1.126 1.00 0.00 H new ATOM 0 HG3 LYS A 349 -12.103 11.222 1.778 1.00 0.00 H new ATOM 0 HD2 LYS A 349 -12.364 12.130 4.080 1.00 0.00 H new ATOM 0 HD3 LYS A 349 -12.391 13.761 3.439 1.00 0.00 H new ATOM 0 HE2 LYS A 349 -14.429 13.232 2.130 1.00 0.00 H new ATOM 0 HE3 LYS A 349 -14.393 11.581 2.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 349 -15.945 12.925 3.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 349 -14.678 12.410 4.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 349 -14.713 14.009 4.411 1.00 0.00 H new TER 590 LYS A 349