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= -0.112 X(o=-0.11,f=-0.2) USER MOD Single : A 327 SER OG : rot 77:sc= 0.755 USER MOD Single : A 329 TYR OH : rot -35:sc= 0.936 USER MOD Single : A 335 GLN : amide:sc= -0.072 X(o=-0.072,f=-0.21) USER MOD Single : A 336 HIS : no HE2:sc= 0.882 K(o=0.88,f=-2.8!) USER MOD Single : A 339 THR OG1 : rot 180:sc= 0 USER MOD Single : A 344 MET CE :methyl 180:sc= 0 (180deg=0) 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 -0.100 -0.216 -2.115 1.00 0.00 N ATOM 2 CA GLU A 315 -0.921 0.924 -1.727 1.00 0.00 C ATOM 3 C GLU A 315 -0.135 2.226 -1.816 1.00 0.00 C ATOM 4 O GLU A 315 1.095 2.222 -1.779 1.00 0.00 O ATOM 5 CB GLU A 315 -1.465 0.735 -0.309 1.00 0.00 C ATOM 6 CG GLU A 315 -2.404 -0.452 -0.149 1.00 0.00 C ATOM 7 CD GLU A 315 -2.893 -0.576 1.267 1.00 0.00 C ATOM 8 OE1 GLU A 315 -2.457 0.189 2.094 1.00 0.00 O ATOM 9 OE2 GLU A 315 -3.784 -1.358 1.500 1.00 0.00 O1- ATOM 0 HA GLU A 315 -1.758 0.983 -2.423 1.00 0.00 H new ATOM 0 HB2 GLU A 315 -0.626 0.614 0.376 1.00 0.00 H new ATOM 0 HB3 GLU A 315 -1.991 1.642 -0.011 1.00 0.00 H new ATOM 0 HG2 GLU A 315 -3.255 -0.338 -0.821 1.00 0.00 H new ATOM 0 HG3 GLU A 315 -1.889 -1.368 -0.439 1.00 0.00 H new ATOM 16 N ASP A 316 -0.852 3.338 -1.933 1.00 0.00 N ATOM 17 CA ASP A 316 -0.227 4.655 -1.947 1.00 0.00 C ATOM 18 C ASP A 316 0.160 5.095 -0.541 1.00 0.00 C ATOM 19 O ASP A 316 -0.222 4.465 0.445 1.00 0.00 O ATOM 20 CB ASP A 316 -1.162 5.686 -2.582 1.00 0.00 C ATOM 21 CG ASP A 316 -0.451 6.874 -3.217 1.00 0.00 C ATOM 22 OD1 ASP A 316 0.750 6.949 -3.109 1.00 0.00 O ATOM 23 OD2 ASP A 316 -1.088 7.608 -3.934 1.00 0.00 O1- ATOM 0 H ASP A 316 -1.868 3.353 -2.020 1.00 0.00 H new ATOM 0 HA ASP A 316 0.681 4.586 -2.545 1.00 0.00 H new ATOM 0 HB2 ASP A 316 -1.766 5.191 -3.342 1.00 0.00 H new ATOM 0 HB3 ASP A 316 -1.848 6.054 -1.820 1.00 0.00 H new ATOM 28 N VAL A 317 0.919 6.183 -0.455 1.00 0.00 N ATOM 29 CA VAL A 317 1.379 6.697 0.829 1.00 0.00 C ATOM 30 C VAL A 317 0.207 7.096 1.716 1.00 0.00 C ATOM 31 O VAL A 317 0.128 6.694 2.877 1.00 0.00 O ATOM 32 CB VAL A 317 2.312 7.909 0.652 1.00 0.00 C ATOM 33 CG1 VAL A 317 2.631 8.538 2.000 1.00 0.00 C ATOM 34 CG2 VAL A 317 3.593 7.497 -0.058 1.00 0.00 C ATOM 0 H VAL A 317 1.229 6.726 -1.261 1.00 0.00 H new ATOM 0 HA VAL A 317 1.934 5.890 1.308 1.00 0.00 H new ATOM 0 HB VAL A 317 1.800 8.650 0.038 1.00 0.00 H new ATOM 0 HG11 VAL A 317 3.291 9.393 1.855 1.00 0.00 H new ATOM 0 HG12 VAL A 317 1.707 8.869 2.475 1.00 0.00 H new ATOM 0 HG13 VAL A 317 3.123 7.803 2.637 1.00 0.00 H new ATOM 0 HG21 VAL A 317 4.240 8.366 -0.174 1.00 0.00 H new ATOM 0 HG22 VAL A 317 4.107 6.738 0.531 1.00 0.00 H new ATOM 0 HG23 VAL A 317 3.350 7.091 -1.040 1.00 0.00 H new ATOM 44 N TRP A 318 -0.703 7.889 1.162 1.00 0.00 N ATOM 45 CA TRP A 318 -1.849 8.384 1.916 1.00 0.00 C ATOM 46 C TRP A 318 -2.891 7.291 2.119 1.00 0.00 C ATOM 47 O TRP A 318 -3.724 7.373 3.020 1.00 0.00 O ATOM 48 CB TRP A 318 -2.479 9.583 1.204 1.00 0.00 C ATOM 49 CG TRP A 318 -2.950 9.274 -0.185 1.00 0.00 C ATOM 50 CD1 TRP A 318 -2.242 9.426 -1.339 1.00 0.00 C ATOM 51 CD2 TRP A 318 -4.232 8.759 -0.565 1.00 0.00 C ATOM 52 NE1 TRP A 318 -3.003 9.041 -2.415 1.00 0.00 N ATOM 53 CE2 TRP A 318 -4.230 8.624 -1.964 1.00 0.00 C ATOM 54 CE3 TRP A 318 -5.383 8.397 0.147 1.00 0.00 C ATOM 55 CZ2 TRP A 318 -5.325 8.149 -2.667 1.00 0.00 C ATOM 56 CZ3 TRP A 318 -6.482 7.920 -0.558 1.00 0.00 C ATOM 57 CH2 TRP A 318 -6.453 7.798 -1.925 1.00 0.00 C ATOM 0 H TRP A 318 -0.669 8.203 0.192 1.00 0.00 H new ATOM 0 HA TRP A 318 -1.491 8.699 2.896 1.00 0.00 H new ATOM 0 HB2 TRP A 318 -3.322 9.943 1.793 1.00 0.00 H new ATOM 0 HB3 TRP A 318 -1.751 10.393 1.160 1.00 0.00 H new ATOM 0 HD1 TRP A 318 -1.229 9.796 -1.399 1.00 0.00 H new ATOM 0 HE1 TRP A 318 -2.705 9.062 -3.390 1.00 0.00 H new ATOM 0 HE3 TRP A 318 -5.416 8.487 1.223 1.00 0.00 H new ATOM 0 HZ2 TRP A 318 -5.306 8.055 -3.743 1.00 0.00 H new ATOM 0 HZ3 TRP A 318 -7.376 7.640 -0.020 1.00 0.00 H new ATOM 0 HH2 TRP A 318 -7.325 7.421 -2.439 1.00 0.00 H new ATOM 68 N GLU A 319 -2.837 6.266 1.273 1.00 0.00 N ATOM 69 CA GLU A 319 -3.660 5.078 1.458 1.00 0.00 C ATOM 70 C GLU A 319 -3.162 4.238 2.628 1.00 0.00 C ATOM 71 O GLU A 319 -3.943 3.558 3.293 1.00 0.00 O ATOM 72 CB GLU A 319 -3.682 4.237 0.179 1.00 0.00 C ATOM 73 CG GLU A 319 -4.460 4.862 -0.971 1.00 0.00 C ATOM 74 CD GLU A 319 -4.401 4.002 -2.202 1.00 0.00 C ATOM 75 OE1 GLU A 319 -3.724 3.002 -2.173 1.00 0.00 O ATOM 76 OE2 GLU A 319 -5.119 4.281 -3.132 1.00 0.00 O1- ATOM 0 H GLU A 319 -2.231 6.236 0.453 1.00 0.00 H new ATOM 0 HA GLU A 319 -4.674 5.408 1.683 1.00 0.00 H new ATOM 0 HB2 GLU A 319 -2.656 4.063 -0.145 1.00 0.00 H new ATOM 0 HB3 GLU A 319 -4.114 3.263 0.407 1.00 0.00 H new ATOM 0 HG2 GLU A 319 -5.499 5.005 -0.674 1.00 0.00 H new ATOM 0 HG3 GLU A 319 -4.053 5.848 -1.194 1.00 0.00 H new ATOM 83 N ILE A 320 -1.857 4.289 2.872 1.00 0.00 N ATOM 84 CA ILE A 320 -1.280 3.703 4.076 1.00 0.00 C ATOM 85 C ILE A 320 -1.619 4.530 5.309 1.00 0.00 C ATOM 86 O ILE A 320 -1.912 3.985 6.373 1.00 0.00 O ATOM 87 CB ILE A 320 0.250 3.572 3.962 1.00 0.00 C ATOM 88 CG1 ILE A 320 0.619 2.540 2.893 1.00 0.00 C ATOM 89 CG2 ILE A 320 0.851 3.190 5.306 1.00 0.00 C ATOM 90 CD1 ILE A 320 2.077 2.570 2.494 1.00 0.00 C ATOM 0 H ILE A 320 -1.178 4.730 2.251 1.00 0.00 H new ATOM 0 HA ILE A 320 -1.714 2.709 4.180 1.00 0.00 H new ATOM 0 HB ILE A 320 0.661 4.537 3.664 1.00 0.00 H new ATOM 0 HG12 ILE A 320 0.373 1.544 3.262 1.00 0.00 H new ATOM 0 HG13 ILE A 320 0.006 2.712 2.008 1.00 0.00 H new ATOM 0 HG21 ILE A 320 1.933 3.101 5.209 1.00 0.00 H new ATOM 0 HG22 ILE A 320 0.615 3.959 6.042 1.00 0.00 H new ATOM 0 HG23 ILE A 320 0.437 2.236 5.632 1.00 0.00 H new ATOM 0 HD11 ILE A 320 2.262 1.811 1.733 1.00 0.00 H new ATOM 0 HD12 ILE A 320 2.324 3.553 2.094 1.00 0.00 H new ATOM 0 HD13 ILE A 320 2.697 2.367 3.367 1.00 0.00 H new ATOM 102 N LEU A 321 -1.578 5.851 5.160 1.00 0.00 N ATOM 103 CA LEU A 321 -1.914 6.756 6.252 1.00 0.00 C ATOM 104 C LEU A 321 -3.358 6.568 6.699 1.00 0.00 C ATOM 105 O LEU A 321 -3.706 6.856 7.844 1.00 0.00 O ATOM 106 CB LEU A 321 -1.671 8.209 5.829 1.00 0.00 C ATOM 107 CG LEU A 321 -0.214 8.559 5.499 1.00 0.00 C ATOM 108 CD1 LEU A 321 -0.126 9.984 4.971 1.00 0.00 C ATOM 109 CD2 LEU A 321 0.644 8.391 6.745 1.00 0.00 C ATOM 0 H LEU A 321 -1.315 6.318 4.292 1.00 0.00 H new ATOM 0 HA LEU A 321 -1.268 6.521 7.098 1.00 0.00 H new ATOM 0 HB2 LEU A 321 -2.286 8.424 4.955 1.00 0.00 H new ATOM 0 HB3 LEU A 321 -2.013 8.865 6.629 1.00 0.00 H new ATOM 0 HG LEU A 321 0.156 7.886 4.725 1.00 0.00 H new ATOM 0 HD11 LEU A 321 0.912 10.223 4.740 1.00 0.00 H new ATOM 0 HD12 LEU A 321 -0.729 10.075 4.068 1.00 0.00 H new ATOM 0 HD13 LEU A 321 -0.498 10.676 5.727 1.00 0.00 H new ATOM 0 HD21 LEU A 321 1.679 8.640 6.510 1.00 0.00 H new ATOM 0 HD22 LEU A 321 0.280 9.055 7.529 1.00 0.00 H new ATOM 0 HD23 LEU A 321 0.588 7.358 7.089 1.00 0.00 H new ATOM 121 N ARG A 322 -4.195 6.084 5.788 1.00 0.00 N ATOM 122 CA ARG A 322 -5.583 5.775 6.111 1.00 0.00 C ATOM 123 C ARG A 322 -5.675 4.817 7.291 1.00 0.00 C ATOM 124 O ARG A 322 -6.534 4.968 8.160 1.00 0.00 O ATOM 125 CB ARG A 322 -6.350 5.250 4.906 1.00 0.00 C ATOM 126 CG ARG A 322 -7.825 4.978 5.155 1.00 0.00 C ATOM 127 CD ARG A 322 -8.582 4.555 3.949 1.00 0.00 C ATOM 128 NE ARG A 322 -9.978 4.229 4.197 1.00 0.00 N ATOM 129 CZ ARG A 322 -10.849 3.830 3.251 1.00 0.00 C ATOM 130 NH1 ARG A 322 -10.488 3.743 1.990 1.00 0.00 N1+ ATOM 131 NH2 ARG A 322 -12.088 3.553 3.620 1.00 0.00 N ATOM 0 H ARG A 322 -3.936 5.897 4.819 1.00 0.00 H new ATOM 0 HA ARG A 322 -6.059 6.711 6.404 1.00 0.00 H new ATOM 0 HB2 ARG A 322 -6.261 5.972 4.094 1.00 0.00 H new ATOM 0 HB3 ARG A 322 -5.878 4.328 4.566 1.00 0.00 H new ATOM 0 HG2 ARG A 322 -7.916 4.203 5.917 1.00 0.00 H new ATOM 0 HG3 ARG A 322 -8.285 5.879 5.560 1.00 0.00 H new ATOM 0 HD2 ARG A 322 -8.534 5.352 3.207 1.00 0.00 H new ATOM 0 HD3 ARG A 322 -8.091 3.685 3.514 1.00 0.00 H new ATOM 0 HE ARG A 322 -10.321 4.308 5.154 1.00 0.00 H new ATOM 0 HH11 ARG A 322 -9.535 3.980 1.715 1.00 0.00 H new ATOM 0 HH12 ARG A 322 -11.161 3.439 1.287 1.00 0.00 H new ATOM 0 HH21 ARG A 322 -12.361 3.644 4.599 1.00 0.00 H new ATOM 0 HH22 ARG A 322 -12.771 3.248 2.926 1.00 0.00 H new ATOM 145 N GLN A 323 -4.785 3.831 7.317 1.00 0.00 N ATOM 146 CA GLN A 323 -4.849 2.767 8.311 1.00 0.00 C ATOM 147 C GLN A 323 -3.861 3.014 9.445 1.00 0.00 C ATOM 148 O GLN A 323 -4.095 2.611 10.584 1.00 0.00 O ATOM 149 CB GLN A 323 -4.564 1.410 7.664 1.00 0.00 C ATOM 150 CG GLN A 323 -5.557 1.015 6.584 1.00 0.00 C ATOM 151 CD GLN A 323 -6.975 0.912 7.112 1.00 0.00 C ATOM 152 OE1 GLN A 323 -7.220 0.310 8.161 1.00 0.00 O ATOM 153 NE2 GLN A 323 -7.919 1.497 6.384 1.00 0.00 N ATOM 0 H GLN A 323 -4.010 3.747 6.660 1.00 0.00 H new ATOM 0 HA GLN A 323 -5.857 2.761 8.725 1.00 0.00 H new ATOM 0 HB2 GLN A 323 -3.563 1.429 7.233 1.00 0.00 H new ATOM 0 HB3 GLN A 323 -4.563 0.643 8.439 1.00 0.00 H new ATOM 0 HG2 GLN A 323 -5.525 1.749 5.779 1.00 0.00 H new ATOM 0 HG3 GLN A 323 -5.261 0.057 6.155 1.00 0.00 H new ATOM 0 HE21 GLN A 323 -7.671 1.984 5.523 1.00 0.00 H new ATOM 0 HE22 GLN A 323 -8.893 1.459 6.686 1.00 0.00 H new ATOM 162 N ALA A 324 -2.755 3.678 9.126 1.00 0.00 N ATOM 163 CA ALA A 324 -1.709 3.939 10.106 1.00 0.00 C ATOM 164 C ALA A 324 -2.207 4.861 11.211 1.00 0.00 C ATOM 165 O ALA A 324 -3.010 5.761 10.966 1.00 0.00 O ATOM 166 CB ALA A 324 -0.483 4.534 9.427 1.00 0.00 C ATOM 0 H ALA A 324 -2.560 4.045 8.195 1.00 0.00 H new ATOM 0 HA ALA A 324 -1.430 2.989 10.563 1.00 0.00 H new ATOM 0 HB1 ALA A 324 0.290 4.723 10.172 1.00 0.00 H new ATOM 0 HB2 ALA A 324 -0.105 3.835 8.682 1.00 0.00 H new ATOM 0 HB3 ALA A 324 -0.755 5.471 8.940 1.00 0.00 H new ATOM 172 N PRO A 325 -1.726 4.632 12.428 1.00 0.00 N ATOM 173 CA PRO A 325 -2.000 5.531 13.542 1.00 0.00 C ATOM 174 C PRO A 325 -1.497 6.938 13.252 1.00 0.00 C ATOM 175 O PRO A 325 -0.538 7.122 12.503 1.00 0.00 O ATOM 176 CB PRO A 325 -1.272 4.891 14.728 1.00 0.00 C ATOM 177 CG PRO A 325 -1.065 3.473 14.316 1.00 0.00 C ATOM 178 CD PRO A 325 -0.844 3.519 12.827 1.00 0.00 C ATOM 0 HA PRO A 325 -3.066 5.649 13.736 1.00 0.00 H new ATOM 0 HB2 PRO A 325 -0.323 5.389 14.927 1.00 0.00 H new ATOM 0 HB3 PRO A 325 -1.865 4.957 15.640 1.00 0.00 H new ATOM 0 HG2 PRO A 325 -0.207 3.036 14.827 1.00 0.00 H new ATOM 0 HG3 PRO A 325 -1.931 2.860 14.566 1.00 0.00 H new ATOM 0 HD2 PRO A 325 0.198 3.712 12.574 1.00 0.00 H new ATOM 0 HD3 PRO A 325 -1.122 2.583 12.343 1.00 0.00 H new ATOM 186 N PRO A 326 -2.148 7.930 13.851 1.00 0.00 N ATOM 187 CA PRO A 326 -1.791 9.326 13.628 1.00 0.00 C ATOM 188 C PRO A 326 -0.391 9.626 14.150 1.00 0.00 C ATOM 189 O PRO A 326 0.267 10.559 13.690 1.00 0.00 O ATOM 190 CB PRO A 326 -2.868 10.113 14.381 1.00 0.00 C ATOM 191 CG PRO A 326 -3.404 9.146 15.380 1.00 0.00 C ATOM 192 CD PRO A 326 -3.341 7.800 14.707 1.00 0.00 C ATOM 0 HA PRO A 326 -1.760 9.590 12.571 1.00 0.00 H new ATOM 0 HB2 PRO A 326 -2.449 10.995 14.866 1.00 0.00 H new ATOM 0 HB3 PRO A 326 -3.650 10.462 13.706 1.00 0.00 H new ATOM 0 HG2 PRO A 326 -2.811 9.156 16.294 1.00 0.00 H new ATOM 0 HG3 PRO A 326 -4.427 9.397 15.661 1.00 0.00 H new ATOM 0 HD2 PRO A 326 -3.237 6.990 15.428 1.00 0.00 H new ATOM 0 HD3 PRO A 326 -4.239 7.595 14.124 1.00 0.00 H new ATOM 200 N SER A 327 0.059 8.829 15.113 1.00 0.00 N ATOM 201 CA SER A 327 1.382 9.009 15.699 1.00 0.00 C ATOM 202 C SER A 327 2.468 8.447 14.791 1.00 0.00 C ATOM 203 O SER A 327 3.643 8.789 14.927 1.00 0.00 O ATOM 204 CB SER A 327 1.442 8.348 17.063 1.00 0.00 C ATOM 205 OG SER A 327 1.342 6.954 16.978 1.00 0.00 O ATOM 0 H SER A 327 -0.473 8.052 15.504 1.00 0.00 H new ATOM 0 HA SER A 327 1.560 10.078 15.813 1.00 0.00 H new ATOM 0 HB2 SER A 327 2.378 8.615 17.554 1.00 0.00 H new ATOM 0 HB3 SER A 327 0.635 8.731 17.687 1.00 0.00 H new ATOM 0 HG SER A 327 2.198 6.582 16.679 1.00 0.00 H new ATOM 211 N GLU A 328 2.069 7.583 13.863 1.00 0.00 N ATOM 212 CA GLU A 328 3.019 6.888 13.004 1.00 0.00 C ATOM 213 C GLU A 328 3.110 7.547 11.634 1.00 0.00 C ATOM 214 O GLU A 328 3.855 7.096 10.766 1.00 0.00 O ATOM 215 CB GLU A 328 2.629 5.416 12.854 1.00 0.00 C ATOM 216 CG GLU A 328 2.488 4.665 14.172 1.00 0.00 C ATOM 217 CD GLU A 328 3.707 4.840 15.032 1.00 0.00 C ATOM 218 OE1 GLU A 328 4.783 4.539 14.574 1.00 0.00 O ATOM 219 OE2 GLU A 328 3.579 5.378 16.107 1.00 0.00 O1- ATOM 0 H GLU A 328 1.092 7.348 13.687 1.00 0.00 H new ATOM 0 HA GLU A 328 3.999 6.949 13.476 1.00 0.00 H new ATOM 0 HB2 GLU A 328 1.685 5.356 12.313 1.00 0.00 H new ATOM 0 HB3 GLU A 328 3.379 4.914 12.242 1.00 0.00 H new ATOM 0 HG2 GLU A 328 1.609 5.025 14.706 1.00 0.00 H new ATOM 0 HG3 GLU A 328 2.329 3.605 13.974 1.00 0.00 H new ATOM 226 N TYR A 329 2.345 8.618 11.448 1.00 0.00 N ATOM 227 CA TYR A 329 2.275 9.294 10.157 1.00 0.00 C ATOM 228 C TYR A 329 3.644 9.806 9.729 1.00 0.00 C ATOM 229 O TYR A 329 3.966 9.823 8.540 1.00 0.00 O ATOM 230 CB TYR A 329 1.275 10.451 10.213 1.00 0.00 C ATOM 231 CG TYR A 329 -0.170 10.018 10.097 1.00 0.00 C ATOM 232 CD1 TYR A 329 -0.501 8.692 9.863 1.00 0.00 C ATOM 233 CD2 TYR A 329 -1.199 10.939 10.225 1.00 0.00 C ATOM 234 CE1 TYR A 329 -1.818 8.292 9.756 1.00 0.00 C ATOM 235 CE2 TYR A 329 -2.521 10.550 10.120 1.00 0.00 C ATOM 236 CZ TYR A 329 -2.827 9.226 9.885 1.00 0.00 C ATOM 237 OH TYR A 329 -4.141 8.833 9.782 1.00 0.00 O ATOM 0 H TYR A 329 1.765 9.037 12.175 1.00 0.00 H new ATOM 0 HA TYR A 329 1.936 8.568 9.418 1.00 0.00 H new ATOM 0 HB2 TYR A 329 1.409 10.989 11.152 1.00 0.00 H new ATOM 0 HB3 TYR A 329 1.500 11.152 9.409 1.00 0.00 H new ATOM 0 HD1 TYR A 329 0.286 7.959 9.763 1.00 0.00 H new ATOM 0 HD2 TYR A 329 -0.963 11.977 10.410 1.00 0.00 H new ATOM 0 HE1 TYR A 329 -2.058 7.255 9.573 1.00 0.00 H new ATOM 0 HE2 TYR A 329 -3.311 11.280 10.222 1.00 0.00 H new ATOM 0 HH TYR A 329 -4.216 8.114 9.120 1.00 0.00 H new ATOM 247 N GLU A 330 4.446 10.223 10.702 1.00 0.00 N ATOM 248 CA GLU A 330 5.801 10.688 10.432 1.00 0.00 C ATOM 249 C GLU A 330 6.680 9.555 9.919 1.00 0.00 C ATOM 250 O GLU A 330 7.453 9.733 8.978 1.00 0.00 O ATOM 251 CB GLU A 330 6.417 11.303 11.691 1.00 0.00 C ATOM 252 CG GLU A 330 5.810 12.638 12.100 1.00 0.00 C ATOM 253 CD GLU A 330 6.383 13.122 13.403 1.00 0.00 C ATOM 254 OE1 GLU A 330 7.162 12.409 13.989 1.00 0.00 O ATOM 255 OE2 GLU A 330 6.131 14.250 13.757 1.00 0.00 O1- ATOM 0 H GLU A 330 4.181 10.249 11.687 1.00 0.00 H new ATOM 0 HA GLU A 330 5.743 11.452 9.657 1.00 0.00 H new ATOM 0 HB2 GLU A 330 6.306 10.599 12.516 1.00 0.00 H new ATOM 0 HB3 GLU A 330 7.486 11.438 11.529 1.00 0.00 H new ATOM 0 HG2 GLU A 330 5.995 13.378 11.321 1.00 0.00 H new ATOM 0 HG3 GLU A 330 4.729 12.536 12.191 1.00 0.00 H new ATOM 262 N ARG A 331 6.557 8.388 10.544 1.00 0.00 N ATOM 263 CA ARG A 331 7.384 7.241 10.193 1.00 0.00 C ATOM 264 C ARG A 331 6.999 6.679 8.830 1.00 0.00 C ATOM 265 O ARG A 331 7.852 6.206 8.079 1.00 0.00 O ATOM 266 CB ARG A 331 7.357 6.163 11.267 1.00 0.00 C ATOM 267 CG ARG A 331 8.107 6.512 12.542 1.00 0.00 C ATOM 268 CD ARG A 331 8.050 5.463 13.592 1.00 0.00 C ATOM 269 NE ARG A 331 8.799 5.777 14.799 1.00 0.00 N ATOM 270 CZ ARG A 331 8.843 4.998 15.897 1.00 0.00 C ATOM 271 NH1 ARG A 331 8.155 3.880 15.962 1.00 0.00 N1+ ATOM 272 NH2 ARG A 331 9.578 5.399 16.919 1.00 0.00 N ATOM 0 H ARG A 331 5.891 8.213 11.297 1.00 0.00 H new ATOM 0 HA ARG A 331 8.412 7.597 10.129 1.00 0.00 H new ATOM 0 HB2 ARG A 331 6.319 5.949 11.520 1.00 0.00 H new ATOM 0 HB3 ARG A 331 7.779 5.247 10.853 1.00 0.00 H new ATOM 0 HG2 ARG A 331 9.151 6.705 12.294 1.00 0.00 H new ATOM 0 HG3 ARG A 331 7.699 7.438 12.948 1.00 0.00 H new ATOM 0 HD2 ARG A 331 7.008 5.292 13.861 1.00 0.00 H new ATOM 0 HD3 ARG A 331 8.430 4.530 13.176 1.00 0.00 H new ATOM 0 HE ARG A 331 9.328 6.649 14.815 1.00 0.00 H new ATOM 0 HH11 ARG A 331 7.576 3.591 15.173 1.00 0.00 H new ATOM 0 HH12 ARG A 331 8.200 3.302 16.801 1.00 0.00 H new ATOM 0 HH21 ARG A 331 10.093 6.278 16.863 1.00 0.00 H new ATOM 0 HH22 ARG A 331 9.630 4.830 17.764 1.00 0.00 H new ATOM 286 N ILE A 332 5.709 6.737 8.516 1.00 0.00 N ATOM 287 CA ILE A 332 5.220 6.317 7.208 1.00 0.00 C ATOM 288 C ILE A 332 5.770 7.209 6.102 1.00 0.00 C ATOM 289 O ILE A 332 6.186 6.726 5.050 1.00 0.00 O ATOM 290 CB ILE A 332 3.682 6.331 7.149 1.00 0.00 C ATOM 291 CG1 ILE A 332 3.102 5.285 8.106 1.00 0.00 C ATOM 292 CG2 ILE A 332 3.202 6.081 5.727 1.00 0.00 C ATOM 293 CD1 ILE A 332 3.539 3.871 7.803 1.00 0.00 C ATOM 0 H ILE A 332 4.983 7.071 9.150 1.00 0.00 H new ATOM 0 HA ILE A 332 5.570 5.296 7.054 1.00 0.00 H new ATOM 0 HB ILE A 332 3.331 7.315 7.461 1.00 0.00 H new ATOM 0 HG12 ILE A 332 3.397 5.536 9.125 1.00 0.00 H new ATOM 0 HG13 ILE A 332 2.014 5.335 8.067 1.00 0.00 H new ATOM 0 HG21 ILE A 332 2.112 6.094 5.703 1.00 0.00 H new ATOM 0 HG22 ILE A 332 3.589 6.860 5.070 1.00 0.00 H new ATOM 0 HG23 ILE A 332 3.561 5.109 5.387 1.00 0.00 H new ATOM 0 HD11 ILE A 332 3.088 3.188 8.523 1.00 0.00 H new ATOM 0 HD12 ILE A 332 3.220 3.600 6.797 1.00 0.00 H new ATOM 0 HD13 ILE A 332 4.625 3.803 7.871 1.00 0.00 H new ATOM 305 N ALA A 333 5.769 8.515 6.348 1.00 0.00 N ATOM 306 CA ALA A 333 6.378 9.469 5.428 1.00 0.00 C ATOM 307 C ALA A 333 7.872 9.213 5.279 1.00 0.00 C ATOM 308 O ALA A 333 8.411 9.250 4.174 1.00 0.00 O ATOM 309 CB ALA A 333 6.125 10.894 5.897 1.00 0.00 C ATOM 0 H ALA A 333 5.353 8.937 7.178 1.00 0.00 H new ATOM 0 HA ALA A 333 5.916 9.336 4.450 1.00 0.00 H new ATOM 0 HB1 ALA A 333 6.586 11.594 5.200 1.00 0.00 H new ATOM 0 HB2 ALA A 333 5.051 11.078 5.939 1.00 0.00 H new ATOM 0 HB3 ALA A 333 6.556 11.033 6.888 1.00 0.00 H new ATOM 315 N PHE A 334 8.538 8.954 6.400 1.00 0.00 N ATOM 316 CA PHE A 334 9.975 8.709 6.399 1.00 0.00 C ATOM 317 C PHE A 334 10.315 7.429 5.646 1.00 0.00 C ATOM 318 O PHE A 334 11.390 7.310 5.059 1.00 0.00 O ATOM 319 CB PHE A 334 10.505 8.634 7.831 1.00 0.00 C ATOM 320 CG PHE A 334 10.384 9.923 8.591 1.00 0.00 C ATOM 321 CD1 PHE A 334 10.139 11.116 7.927 1.00 0.00 C ATOM 322 CD2 PHE A 334 10.516 9.948 9.972 1.00 0.00 C ATOM 323 CE1 PHE A 334 10.028 12.304 8.625 1.00 0.00 C ATOM 324 CE2 PHE A 334 10.405 11.133 10.672 1.00 0.00 C ATOM 325 CZ PHE A 334 10.160 12.313 9.997 1.00 0.00 C ATOM 0 H PHE A 334 8.104 8.908 7.322 1.00 0.00 H new ATOM 0 HA PHE A 334 10.456 9.543 5.887 1.00 0.00 H new ATOM 0 HB2 PHE A 334 9.965 7.855 8.368 1.00 0.00 H new ATOM 0 HB3 PHE A 334 11.553 8.335 7.805 1.00 0.00 H new ATOM 0 HD1 PHE A 334 10.034 11.117 6.852 1.00 0.00 H new ATOM 0 HD2 PHE A 334 10.708 9.029 10.506 1.00 0.00 H new ATOM 0 HE1 PHE A 334 9.838 13.226 8.095 1.00 0.00 H new ATOM 0 HE2 PHE A 334 10.510 11.137 11.747 1.00 0.00 H new ATOM 0 HZ PHE A 334 10.072 13.241 10.543 1.00 0.00 H new ATOM 335 N GLN A 335 9.391 6.474 5.665 1.00 0.00 N ATOM 336 CA GLN A 335 9.591 5.201 4.984 1.00 0.00 C ATOM 337 C GLN A 335 9.679 5.391 3.476 1.00 0.00 C ATOM 338 O GLN A 335 10.405 4.671 2.791 1.00 0.00 O ATOM 339 CB GLN A 335 8.454 4.230 5.316 1.00 0.00 C ATOM 340 CG GLN A 335 8.640 2.835 4.746 1.00 0.00 C ATOM 341 CD GLN A 335 9.870 2.141 5.302 1.00 0.00 C ATOM 342 OE1 GLN A 335 10.121 2.167 6.510 1.00 0.00 O ATOM 343 NE2 GLN A 335 10.645 1.519 4.421 1.00 0.00 N ATOM 0 H GLN A 335 8.495 6.558 6.145 1.00 0.00 H new ATOM 0 HA GLN A 335 10.534 4.783 5.336 1.00 0.00 H new ATOM 0 HB2 GLN A 335 8.358 4.158 6.399 1.00 0.00 H new ATOM 0 HB3 GLN A 335 7.518 4.642 4.940 1.00 0.00 H new ATOM 0 HG2 GLN A 335 7.757 2.235 4.966 1.00 0.00 H new ATOM 0 HG3 GLN A 335 8.721 2.897 3.661 1.00 0.00 H new ATOM 0 HE21 GLN A 335 10.398 1.524 3.431 1.00 0.00 H new ATOM 0 HE22 GLN A 335 11.487 1.036 4.734 1.00 0.00 H new ATOM 352 N HIS A 336 8.936 6.366 2.963 1.00 0.00 N ATOM 353 CA HIS A 336 8.833 6.574 1.523 1.00 0.00 C ATOM 354 C HIS A 336 9.640 7.789 1.083 1.00 0.00 C ATOM 355 O HIS A 336 9.807 8.036 -0.111 1.00 0.00 O ATOM 356 CB HIS A 336 7.368 6.740 1.104 1.00 0.00 C ATOM 357 CG HIS A 336 6.526 5.530 1.369 1.00 0.00 C ATOM 358 ND1 HIS A 336 5.871 5.329 2.566 1.00 0.00 N ATOM 359 CD2 HIS A 336 6.233 4.459 0.595 1.00 0.00 C ATOM 360 CE1 HIS A 336 5.209 4.185 2.515 1.00 0.00 C ATOM 361 NE2 HIS A 336 5.414 3.639 1.330 1.00 0.00 N ATOM 0 H HIS A 336 8.396 7.025 3.523 1.00 0.00 H new ATOM 0 HA HIS A 336 9.244 5.692 1.032 1.00 0.00 H new ATOM 0 HB2 HIS A 336 6.942 7.592 1.634 1.00 0.00 H new ATOM 0 HB3 HIS A 336 7.328 6.974 0.040 1.00 0.00 H new ATOM 0 HD1 HIS A 336 5.894 5.963 3.365 1.00 0.00 H new ATOM 0 HD2 HIS A 336 6.579 4.283 -0.413 1.00 0.00 H new ATOM 0 HE1 HIS A 336 4.604 3.769 3.307 1.00 0.00 H new ATOM 368 N GLY A 337 10.140 8.544 2.056 1.00 0.00 N ATOM 369 CA GLY A 337 10.930 9.736 1.770 1.00 0.00 C ATOM 370 C GLY A 337 10.034 10.930 1.465 1.00 0.00 C ATOM 371 O GLY A 337 10.443 11.865 0.777 1.00 0.00 O ATOM 0 H GLY A 337 10.012 8.351 3.049 1.00 0.00 H new ATOM 0 HA2 GLY A 337 11.569 9.966 2.623 1.00 0.00 H new ATOM 0 HA3 GLY A 337 11.587 9.545 0.922 1.00 0.00 H new ATOM 375 N VAL A 338 8.811 10.893 1.984 1.00 0.00 N ATOM 376 CA VAL A 338 7.850 11.965 1.756 1.00 0.00 C ATOM 377 C VAL A 338 8.093 13.133 2.704 1.00 0.00 C ATOM 378 O VAL A 338 8.122 12.959 3.924 1.00 0.00 O ATOM 379 CB VAL A 338 6.401 11.471 1.926 1.00 0.00 C ATOM 380 CG1 VAL A 338 5.423 12.629 1.781 1.00 0.00 C ATOM 381 CG2 VAL A 338 6.087 10.382 0.913 1.00 0.00 C ATOM 0 H VAL A 338 8.462 10.131 2.566 1.00 0.00 H new ATOM 0 HA VAL A 338 7.991 12.300 0.728 1.00 0.00 H new ATOM 0 HB VAL A 338 6.296 11.052 2.927 1.00 0.00 H new ATOM 0 HG11 VAL A 338 4.404 12.262 1.904 1.00 0.00 H new ATOM 0 HG12 VAL A 338 5.633 13.380 2.543 1.00 0.00 H new ATOM 0 HG13 VAL A 338 5.531 13.075 0.792 1.00 0.00 H new ATOM 0 HG21 VAL A 338 5.059 10.045 1.048 1.00 0.00 H new ATOM 0 HG22 VAL A 338 6.210 10.777 -0.096 1.00 0.00 H new ATOM 0 HG23 VAL A 338 6.766 9.542 1.059 1.00 0.00 H new ATOM 391 N THR A 339 8.265 14.322 2.138 1.00 0.00 N ATOM 392 CA THR A 339 8.462 15.528 2.934 1.00 0.00 C ATOM 393 C THR A 339 7.150 16.277 3.133 1.00 0.00 C ATOM 394 O THR A 339 6.992 17.027 4.097 1.00 0.00 O ATOM 395 CB THR A 339 9.488 16.475 2.283 1.00 0.00 C ATOM 396 OG1 THR A 339 9.012 16.885 0.995 1.00 0.00 O ATOM 397 CG2 THR A 339 10.831 15.777 2.125 1.00 0.00 C ATOM 0 H THR A 339 8.272 14.477 1.130 1.00 0.00 H new ATOM 0 HA THR A 339 8.844 15.205 3.903 1.00 0.00 H new ATOM 0 HB THR A 339 9.616 17.346 2.925 1.00 0.00 H new ATOM 0 HG1 THR A 339 9.664 17.489 0.582 1.00 0.00 H new ATOM 0 HG21 THR A 339 11.544 16.460 1.664 1.00 0.00 H new ATOM 0 HG22 THR A 339 11.201 15.474 3.104 1.00 0.00 H new ATOM 0 HG23 THR A 339 10.711 14.897 1.494 1.00 0.00 H new ATOM 405 N ASP A 340 6.212 16.071 2.215 1.00 0.00 N ATOM 406 CA ASP A 340 4.902 16.703 2.304 1.00 0.00 C ATOM 407 C ASP A 340 3.873 15.756 2.910 1.00 0.00 C ATOM 408 O ASP A 340 2.977 15.272 2.217 1.00 0.00 O ATOM 409 CB ASP A 340 4.436 17.170 0.923 1.00 0.00 C ATOM 410 CG ASP A 340 3.207 18.069 0.943 1.00 0.00 C ATOM 411 OD1 ASP A 340 2.749 18.391 2.014 1.00 0.00 O ATOM 412 OD2 ASP A 340 2.831 18.552 -0.098 1.00 0.00 O1- ATOM 0 H ASP A 340 6.335 15.470 1.400 1.00 0.00 H new ATOM 0 HA ASP A 340 4.995 17.570 2.958 1.00 0.00 H new ATOM 0 HB2 ASP A 340 5.254 17.704 0.439 1.00 0.00 H new ATOM 0 HB3 ASP A 340 4.220 16.294 0.311 1.00 0.00 H new ATOM 417 N LEU A 341 4.008 15.495 4.205 1.00 0.00 N ATOM 418 CA LEU A 341 3.070 14.632 4.914 1.00 0.00 C ATOM 419 C LEU A 341 1.663 15.217 4.897 1.00 0.00 C ATOM 420 O LEU A 341 0.681 14.493 4.734 1.00 0.00 O ATOM 421 CB LEU A 341 3.539 14.414 6.358 1.00 0.00 C ATOM 422 CG LEU A 341 2.565 13.634 7.250 1.00 0.00 C ATOM 423 CD1 LEU A 341 2.312 12.252 6.665 1.00 0.00 C ATOM 424 CD2 LEU A 341 3.135 13.529 8.656 1.00 0.00 C ATOM 0 H LEU A 341 4.758 15.869 4.786 1.00 0.00 H new ATOM 0 HA LEU A 341 3.040 13.670 4.402 1.00 0.00 H new ATOM 0 HB2 LEU A 341 4.492 13.885 6.338 1.00 0.00 H new ATOM 0 HB3 LEU A 341 3.725 15.387 6.814 1.00 0.00 H new ATOM 0 HG LEU A 341 1.613 14.163 7.297 1.00 0.00 H new ATOM 0 HD11 LEU A 341 1.619 11.707 7.306 1.00 0.00 H new ATOM 0 HD12 LEU A 341 1.882 12.352 5.668 1.00 0.00 H new ATOM 0 HD13 LEU A 341 3.253 11.706 6.601 1.00 0.00 H new ATOM 0 HD21 LEU A 341 2.442 12.975 9.289 1.00 0.00 H new ATOM 0 HD22 LEU A 341 4.092 13.008 8.623 1.00 0.00 H new ATOM 0 HD23 LEU A 341 3.280 14.529 9.065 1.00 0.00 H new ATOM 436 N ARG A 342 1.573 16.532 5.067 1.00 0.00 N ATOM 437 CA ARG A 342 0.285 17.216 5.085 1.00 0.00 C ATOM 438 C ARG A 342 -0.414 17.111 3.735 1.00 0.00 C ATOM 439 O ARG A 342 -1.635 16.983 3.666 1.00 0.00 O ATOM 440 CB ARG A 342 0.409 18.663 5.537 1.00 0.00 C ATOM 441 CG ARG A 342 0.690 18.847 7.020 1.00 0.00 C ATOM 442 CD ARG A 342 0.821 20.264 7.446 1.00 0.00 C ATOM 443 NE ARG A 342 1.046 20.446 8.872 1.00 0.00 N ATOM 444 CZ ARG A 342 1.210 21.641 9.473 1.00 0.00 C ATOM 445 NH1 ARG A 342 1.213 22.756 8.777 1.00 0.00 N1+ ATOM 446 NH2 ARG A 342 1.394 21.660 10.782 1.00 0.00 N ATOM 0 H ARG A 342 2.378 17.146 5.194 1.00 0.00 H new ATOM 0 HA ARG A 342 -0.336 16.708 5.823 1.00 0.00 H new ATOM 0 HB2 ARG A 342 1.208 19.139 4.969 1.00 0.00 H new ATOM 0 HB3 ARG A 342 -0.514 19.187 5.289 1.00 0.00 H new ATOM 0 HG2 ARG A 342 -0.113 18.381 7.591 1.00 0.00 H new ATOM 0 HG3 ARG A 342 1.609 18.318 7.272 1.00 0.00 H new ATOM 0 HD2 ARG A 342 1.647 20.720 6.899 1.00 0.00 H new ATOM 0 HD3 ARG A 342 -0.084 20.801 7.162 1.00 0.00 H new ATOM 0 HE ARG A 342 1.082 19.611 9.457 1.00 0.00 H new ATOM 0 HH11 ARG A 342 1.090 22.726 7.765 1.00 0.00 H new ATOM 0 HH12 ARG A 342 1.338 23.651 9.249 1.00 0.00 H new ATOM 0 HH21 ARG A 342 1.409 20.786 11.308 1.00 0.00 H new ATOM 0 HH22 ARG A 342 1.521 22.549 11.266 1.00 0.00 H new ATOM 460 N GLY A 343 0.370 17.166 2.664 1.00 0.00 N ATOM 461 CA GLY A 343 -0.158 16.982 1.317 1.00 0.00 C ATOM 462 C GLY A 343 -0.757 15.591 1.146 1.00 0.00 C ATOM 463 O GLY A 343 -1.811 15.431 0.532 1.00 0.00 O ATOM 0 H GLY A 343 1.375 17.337 2.703 1.00 0.00 H new ATOM 0 HA2 GLY A 343 -0.919 17.736 1.116 1.00 0.00 H new ATOM 0 HA3 GLY A 343 0.638 17.130 0.588 1.00 0.00 H new ATOM 467 N MET A 344 -0.078 14.589 1.694 1.00 0.00 N ATOM 468 CA MET A 344 -0.588 13.223 1.685 1.00 0.00 C ATOM 469 C MET A 344 -1.860 13.104 2.514 1.00 0.00 C ATOM 470 O MET A 344 -2.764 12.339 2.176 1.00 0.00 O ATOM 471 CB MET A 344 0.475 12.259 2.208 1.00 0.00 C ATOM 472 CG MET A 344 1.704 12.133 1.319 1.00 0.00 C ATOM 473 SD MET A 344 1.320 11.439 -0.302 1.00 0.00 S ATOM 474 CE MET A 344 2.852 11.752 -1.175 1.00 0.00 C ATOM 0 H MET A 344 0.828 14.697 2.150 1.00 0.00 H new ATOM 0 HA MET A 344 -0.831 12.961 0.655 1.00 0.00 H new ATOM 0 HB2 MET A 344 0.790 12.588 3.198 1.00 0.00 H new ATOM 0 HB3 MET A 344 0.026 11.273 2.328 1.00 0.00 H new ATOM 0 HG2 MET A 344 2.158 13.116 1.191 1.00 0.00 H new ATOM 0 HG3 MET A 344 2.443 11.503 1.814 1.00 0.00 H new ATOM 0 HE1 MET A 344 2.772 11.379 -2.196 1.00 0.00 H new ATOM 0 HE2 MET A 344 3.047 12.824 -1.195 1.00 0.00 H new ATOM 0 HE3 MET A 344 3.671 11.244 -0.666 1.00 0.00 H new ATOM 484 N LEU A 345 -1.926 13.867 3.600 1.00 0.00 N ATOM 485 CA LEU A 345 -3.093 13.856 4.474 1.00 0.00 C ATOM 486 C LEU A 345 -4.258 14.611 3.845 1.00 0.00 C ATOM 487 O LEU A 345 -5.420 14.352 4.158 1.00 0.00 O ATOM 488 CB LEU A 345 -2.740 14.461 5.838 1.00 0.00 C ATOM 489 CG LEU A 345 -1.749 13.643 6.677 1.00 0.00 C ATOM 490 CD1 LEU A 345 -1.383 14.407 7.943 1.00 0.00 C ATOM 491 CD2 LEU A 345 -2.363 12.294 7.019 1.00 0.00 C ATOM 0 H LEU A 345 -1.184 14.501 3.896 1.00 0.00 H new ATOM 0 HA LEU A 345 -3.400 12.820 4.616 1.00 0.00 H new ATOM 0 HB2 LEU A 345 -2.323 15.456 5.680 1.00 0.00 H new ATOM 0 HB3 LEU A 345 -3.659 14.588 6.411 1.00 0.00 H new ATOM 0 HG LEU A 345 -0.837 13.477 6.103 1.00 0.00 H new ATOM 0 HD11 LEU A 345 -0.679 13.819 8.532 1.00 0.00 H new ATOM 0 HD12 LEU A 345 -0.925 15.359 7.674 1.00 0.00 H new ATOM 0 HD13 LEU A 345 -2.283 14.591 8.530 1.00 0.00 H new ATOM 0 HD21 LEU A 345 -1.658 11.714 7.615 1.00 0.00 H new ATOM 0 HD22 LEU A 345 -3.280 12.445 7.588 1.00 0.00 H new ATOM 0 HD23 LEU A 345 -2.591 11.754 6.100 1.00 0.00 H new ATOM 503 N LYS A 346 -3.940 15.548 2.958 1.00 0.00 N ATOM 504 CA LYS A 346 -4.953 16.206 2.143 1.00 0.00 C ATOM 505 C LYS A 346 -5.475 15.276 1.055 1.00 0.00 C ATOM 506 O LYS A 346 -6.652 15.324 0.696 1.00 0.00 O ATOM 507 CB LYS A 346 -4.390 17.483 1.516 1.00 0.00 C ATOM 508 CG LYS A 346 -4.193 18.632 2.497 1.00 0.00 C ATOM 509 CD LYS A 346 -3.626 19.861 1.804 1.00 0.00 C ATOM 510 CE LYS A 346 -3.386 20.993 2.791 1.00 0.00 C ATOM 511 NZ LYS A 346 -2.812 22.196 2.130 1.00 0.00 N1+ ATOM 0 H LYS A 346 -2.987 15.869 2.786 1.00 0.00 H new ATOM 0 HA LYS A 346 -5.786 16.469 2.796 1.00 0.00 H new ATOM 0 HB2 LYS A 346 -3.433 17.252 1.049 1.00 0.00 H new ATOM 0 HB3 LYS A 346 -5.062 17.810 0.722 1.00 0.00 H new ATOM 0 HG2 LYS A 346 -5.146 18.882 2.963 1.00 0.00 H new ATOM 0 HG3 LYS A 346 -3.520 18.320 3.296 1.00 0.00 H new ATOM 0 HD2 LYS A 346 -2.690 19.602 1.310 1.00 0.00 H new ATOM 0 HD3 LYS A 346 -4.315 20.193 1.027 1.00 0.00 H new ATOM 0 HE2 LYS A 346 -4.326 21.259 3.274 1.00 0.00 H new ATOM 0 HE3 LYS A 346 -2.710 20.653 3.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 346 -2.664 22.944 2.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 346 -1.902 21.950 1.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 346 -3.468 22.537 1.399 1.00 0.00 H new ATOM 525 N ARG A 347 -4.594 14.430 0.534 1.00 0.00 N ATOM 526 CA ARG A 347 -4.995 13.383 -0.399 1.00 0.00 C ATOM 527 C ARG A 347 -5.841 12.323 0.294 1.00 0.00 C ATOM 528 O ARG A 347 -6.753 11.754 -0.306 1.00 0.00 O ATOM 529 CB ARG A 347 -3.804 12.766 -1.116 1.00 0.00 C ATOM 530 CG ARG A 347 -3.126 13.674 -2.130 1.00 0.00 C ATOM 531 CD ARG A 347 -1.897 13.103 -2.738 1.00 0.00 C ATOM 532 NE ARG A 347 -1.245 13.969 -3.706 1.00 0.00 N ATOM 533 CZ ARG A 347 -0.079 13.689 -4.321 1.00 0.00 C ATOM 534 NH1 ARG A 347 0.585 12.589 -4.045 1.00 0.00 N1+ ATOM 535 NH2 ARG A 347 0.392 14.564 -5.192 1.00 0.00 N ATOM 0 H ARG A 347 -3.596 14.449 0.742 1.00 0.00 H new ATOM 0 HA ARG A 347 -5.612 13.854 -1.164 1.00 0.00 H new ATOM 0 HB2 ARG A 347 -3.067 12.463 -0.372 1.00 0.00 H new ATOM 0 HB3 ARG A 347 -4.134 11.860 -1.625 1.00 0.00 H new ATOM 0 HG2 ARG A 347 -3.836 13.906 -2.924 1.00 0.00 H new ATOM 0 HG3 ARG A 347 -2.873 14.616 -1.644 1.00 0.00 H new ATOM 0 HD2 ARG A 347 -1.189 12.869 -1.943 1.00 0.00 H new ATOM 0 HD3 ARG A 347 -2.151 12.162 -3.225 1.00 0.00 H new ATOM 0 HE ARG A 347 -1.702 14.851 -3.936 1.00 0.00 H new ATOM 0 HH11 ARG A 347 0.219 11.932 -3.356 1.00 0.00 H new ATOM 0 HH12 ARG A 347 1.466 12.392 -4.520 1.00 0.00 H new ATOM 0 HH21 ARG A 347 -0.125 15.423 -5.382 1.00 0.00 H new ATOM 0 HH22 ARG A 347 1.272 14.381 -5.674 1.00 0.00 H new ATOM 549 N LEU A 348 -5.533 12.061 1.559 1.00 0.00 N ATOM 550 CA LEU A 348 -6.329 11.146 2.368 1.00 0.00 C ATOM 551 C LEU A 348 -7.710 11.722 2.652 1.00 0.00 C ATOM 552 O LEU A 348 -8.723 11.041 2.492 1.00 0.00 O ATOM 553 CB LEU A 348 -5.602 10.830 3.681 1.00 0.00 C ATOM 554 CG LEU A 348 -6.386 9.955 4.667 1.00 0.00 C ATOM 555 CD1 LEU A 348 -6.759 8.633 4.010 1.00 0.00 C ATOM 556 CD2 LEU A 348 -5.549 9.720 5.915 1.00 0.00 C ATOM 0 H LEU A 348 -4.736 12.470 2.047 1.00 0.00 H new ATOM 0 HA LEU A 348 -6.460 10.222 1.805 1.00 0.00 H new ATOM 0 HB2 LEU A 348 -4.661 10.332 3.446 1.00 0.00 H new ATOM 0 HB3 LEU A 348 -5.351 11.769 4.174 1.00 0.00 H new ATOM 0 HG LEU A 348 -7.306 10.465 4.953 1.00 0.00 H new ATOM 0 HD11 LEU A 348 -7.315 8.019 4.718 1.00 0.00 H new ATOM 0 HD12 LEU A 348 -7.376 8.824 3.132 1.00 0.00 H new ATOM 0 HD13 LEU A 348 -5.853 8.108 3.708 1.00 0.00 H new ATOM 0 HD21 LEU A 348 -6.107 9.098 6.615 1.00 0.00 H new ATOM 0 HD22 LEU A 348 -4.622 9.217 5.642 1.00 0.00 H new ATOM 0 HD23 LEU A 348 -5.318 10.677 6.384 1.00 0.00 H new ATOM 568 N LYS A 349 -7.745 12.981 3.075 1.00 0.00 N ATOM 569 CA LYS A 349 -9.005 13.658 3.363 1.00 0.00 C ATOM 570 C LYS A 349 -9.894 13.715 2.128 1.00 0.00 C ATOM 571 O LYS A 349 -10.539 12.755 1.809 1.00 0.00 O ATOM 572 CB LYS A 349 -8.745 15.070 3.889 1.00 0.00 C ATOM 573 CG LYS A 349 -10.001 15.832 4.295 1.00 0.00 C ATOM 574 CD LYS A 349 -9.658 17.187 4.892 1.00 0.00 C ATOM 575 CE LYS A 349 -10.912 17.955 5.282 1.00 0.00 C ATOM 576 NZ LYS A 349 -10.591 19.279 5.882 1.00 0.00 N1+ ATOM 0 H LYS A 349 -6.915 13.554 3.226 1.00 0.00 H new ATOM 0 HA LYS A 349 -9.525 13.084 4.130 1.00 0.00 H new ATOM 0 HB2 LYS A 349 -8.079 15.007 4.749 1.00 0.00 H new ATOM 0 HB3 LYS A 349 -8.221 15.640 3.121 1.00 0.00 H new ATOM 0 HG2 LYS A 349 -10.643 15.968 3.425 1.00 0.00 H new ATOM 0 HG3 LYS A 349 -10.566 15.246 5.020 1.00 0.00 H new ATOM 0 HD2 LYS A 349 -9.026 17.050 5.769 1.00 0.00 H new ATOM 0 HD3 LYS A 349 -9.083 17.769 4.172 1.00 0.00 H new ATOM 0 HE2 LYS A 349 -11.538 18.098 4.401 1.00 0.00 H new ATOM 0 HE3 LYS A 349 -11.492 17.366 5.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 349 -11.473 19.769 6.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 349 -10.015 19.142 6.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 349 -10.060 19.852 5.195 1.00 0.00 H new TER 590 LYS A 349