USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 622 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 455 THR OG1 : rot 180:sc= 0 USER MOD Single : A 462 TYR OH : rot -170:sc= 1.36 USER MOD Single : A 464 THR OG1 : rot -77:sc= -0.487 USER MOD Single : A 466 LYS NZ :NH3+ -110:sc= -0.328 (180deg=-0.581) USER MOD Single : A 468 MET CE :methyl -125:sc= -8.09! (180deg=-12.3!) USER MOD Single : A 469 THR OG1 : rot -130:sc= -1.5 USER MOD Single : A 470 THR OG1 : rot 109:sc= -0.599! USER MOD Single : A 471 LYS NZ :NH3+ 172:sc= 0.0397 (180deg=0.00881) USER MOD Single : A 475 LYS NZ :NH3+ -147:sc= -0.955 (180deg=-2.68!) USER MOD Single : A 476 LYS NZ :NH3+ -142:sc= 0.721 (180deg=-4.44!) USER MOD Single : A 485 SER OG : rot 180:sc= 0 USER MOD Single : A 486 SER OG : rot 180:sc= 0 USER MOD Single : A 488 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 489 THR OG1 : rot 98:sc= -0.63 USER MOD Single : A 491 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 495 GLN :FLIP amide:sc= -1.92 F(o=-4.9!,f=-1.9) USER MOD Single : A 498 LYS NZ :NH3+ 167:sc= -4.69! (180deg=-5.03!) USER MOD Single : A 501 ASN : amide:sc= -1.23 K(o=-1.2,f=-1.9!) USER MOD Single : A 505 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 506 MET CE :methyl -170:sc= -2.06! (180deg=-2.17!) USER MOD Single : A 508 ASN : amide:sc= -0.454 K(o=-0.45,f=-1.7) USER MOD Single : A 510 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 511 MET CE :methyl 134:sc= -4.14! (180deg=-7.11!) USER MOD Single : A 512 HIS : no HD1:sc= -11.8! C(o=-12!,f=-11!) USER MOD Single : A 514 SER OG : rot 101:sc= -5.32! USER MOD Single : A 516 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 589 HIS :FLIP no HD1:sc= -1.54 F(o=-3.7,f=-1.5) USER MOD Single : B 592 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 74 N ASP B 587 2.608 -2.088 13.235 1.00 0.00 N ATOM 75 CA ASP B 587 3.292 -1.203 12.304 1.00 0.00 C ATOM 76 C ASP B 587 4.618 -1.799 11.835 1.00 0.00 C ATOM 77 O ASP B 587 5.132 -1.436 10.776 1.00 0.00 O ATOM 78 CB ASP B 587 3.513 0.164 12.957 1.00 0.00 C ATOM 79 CG ASP B 587 4.675 0.170 13.934 1.00 0.00 C ATOM 80 OD1 ASP B 587 4.873 -0.850 14.627 1.00 0.00 O ATOM 81 OD2 ASP B 587 5.385 1.194 14.005 1.00 0.00 O ATOM 0 HA ASP B 587 2.662 -1.081 11.423 1.00 0.00 H new ATOM 0 HB2 ASP B 587 3.694 0.907 12.180 1.00 0.00 H new ATOM 0 HB3 ASP B 587 2.604 0.463 13.479 1.00 0.00 H new ATOM 86 N ASP B 588 5.167 -2.712 12.628 1.00 0.00 N ATOM 87 CA ASP B 588 6.431 -3.357 12.295 1.00 0.00 C ATOM 88 C ASP B 588 6.404 -3.937 10.889 1.00 0.00 C ATOM 89 O ASP B 588 7.334 -3.742 10.105 1.00 0.00 O ATOM 90 CB ASP B 588 6.742 -4.450 13.304 1.00 0.00 C ATOM 91 CG ASP B 588 8.218 -4.797 13.349 1.00 0.00 C ATOM 92 OD1 ASP B 588 8.984 -4.046 13.988 1.00 0.00 O ATOM 93 OD2 ASP B 588 8.606 -5.818 12.744 1.00 0.00 O ATOM 0 H ASP B 588 4.755 -3.023 13.508 1.00 0.00 H new ATOM 0 HA ASP B 588 7.214 -2.600 12.332 1.00 0.00 H new ATOM 0 HB2 ASP B 588 6.417 -4.129 14.294 1.00 0.00 H new ATOM 0 HB3 ASP B 588 6.170 -5.343 13.055 1.00 0.00 H new ATOM 98 N HIS B 589 5.335 -4.650 10.579 1.00 0.00 N ATOM 99 CA HIS B 589 5.172 -5.265 9.277 1.00 0.00 C ATOM 100 C HIS B 589 4.690 -4.251 8.243 1.00 0.00 C ATOM 101 O HIS B 589 4.866 -4.447 7.040 1.00 0.00 O ATOM 102 CB HIS B 589 4.184 -6.422 9.379 1.00 0.00 C ATOM 103 CG HIS B 589 2.865 -6.049 9.981 1.00 0.00 C ATOM 104 ND1 HIS B 589 1.982 -5.073 9.654 1.00 0.00 N flip ATOM 105 CD2 HIS B 589 2.307 -6.724 11.047 1.00 0.00 C flip ATOM 106 CE1 HIS B 589 0.921 -5.179 10.518 1.00 0.00 C flip ATOM 107 NE2 HIS B 589 1.141 -6.181 11.349 1.00 0.00 N flip ATOM 0 H HIS B 589 4.560 -4.817 11.221 1.00 0.00 H new ATOM 0 HA HIS B 589 6.141 -5.641 8.949 1.00 0.00 H new ATOM 0 HB2 HIS B 589 4.014 -6.829 8.382 1.00 0.00 H new ATOM 0 HB3 HIS B 589 4.632 -7.216 9.976 1.00 0.00 H new ATOM 0 HD2 HIS B 589 2.754 -7.565 11.556 1.00 0.00 H new ATOM 0 HE1 HIS B 589 0.047 -4.545 10.518 1.00 0.00 H new ATOM 0 HE2 HIS B 589 0.517 -6.484 12.097 1.00 0.00 H new ATOM 116 N LEU B 590 4.082 -3.171 8.716 1.00 0.00 N ATOM 117 CA LEU B 590 3.577 -2.130 7.830 1.00 0.00 C ATOM 118 C LEU B 590 4.717 -1.479 7.055 1.00 0.00 C ATOM 119 O LEU B 590 4.605 -1.234 5.858 1.00 0.00 O ATOM 120 CB LEU B 590 2.811 -1.077 8.633 1.00 0.00 C ATOM 121 CG LEU B 590 2.468 0.202 7.867 1.00 0.00 C ATOM 122 CD1 LEU B 590 1.405 -0.070 6.814 1.00 0.00 C ATOM 123 CD2 LEU B 590 2.013 1.291 8.830 1.00 0.00 C ATOM 0 H LEU B 590 3.926 -2.993 9.708 1.00 0.00 H new ATOM 0 HA LEU B 590 2.896 -2.590 7.114 1.00 0.00 H new ATOM 0 HB2 LEU B 590 1.885 -1.523 8.997 1.00 0.00 H new ATOM 0 HB3 LEU B 590 3.402 -0.810 9.509 1.00 0.00 H new ATOM 0 HG LEU B 590 3.366 0.550 7.356 1.00 0.00 H new ATOM 0 HD11 LEU B 590 1.176 0.853 6.281 1.00 0.00 H new ATOM 0 HD12 LEU B 590 1.774 -0.814 6.108 1.00 0.00 H new ATOM 0 HD13 LEU B 590 0.502 -0.444 7.297 1.00 0.00 H new ATOM 0 HD21 LEU B 590 1.773 2.195 8.270 1.00 0.00 H new ATOM 0 HD22 LEU B 590 1.129 0.953 9.370 1.00 0.00 H new ATOM 0 HD23 LEU B 590 2.812 1.506 9.540 1.00 0.00 H new ATOM 135 N ILE B 591 5.810 -1.192 7.743 1.00 0.00 N ATOM 136 CA ILE B 591 6.958 -0.575 7.108 1.00 0.00 C ATOM 137 C ILE B 591 7.874 -1.632 6.483 1.00 0.00 C ATOM 138 O ILE B 591 8.559 -1.368 5.496 1.00 0.00 O ATOM 139 CB ILE B 591 7.747 0.307 8.098 1.00 0.00 C ATOM 140 CG1 ILE B 591 6.913 1.536 8.475 1.00 0.00 C ATOM 141 CG2 ILE B 591 9.083 0.734 7.501 1.00 0.00 C ATOM 142 CD1 ILE B 591 7.620 2.481 9.422 1.00 0.00 C ATOM 0 H ILE B 591 5.924 -1.377 8.740 1.00 0.00 H new ATOM 0 HA ILE B 591 6.582 0.069 6.313 1.00 0.00 H new ATOM 0 HB ILE B 591 7.951 -0.276 8.996 1.00 0.00 H new ATOM 0 HG12 ILE B 591 6.647 2.077 7.567 1.00 0.00 H new ATOM 0 HG13 ILE B 591 5.981 1.205 8.933 1.00 0.00 H new ATOM 0 HG21 ILE B 591 9.620 1.355 8.218 1.00 0.00 H new ATOM 0 HG22 ILE B 591 9.677 -0.150 7.269 1.00 0.00 H new ATOM 0 HG23 ILE B 591 8.908 1.303 6.588 1.00 0.00 H new ATOM 0 HD11 ILE B 591 6.970 3.327 9.644 1.00 0.00 H new ATOM 0 HD12 ILE B 591 7.862 1.956 10.346 1.00 0.00 H new ATOM 0 HD13 ILE B 591 8.538 2.841 8.958 1.00 0.00 H new ATOM 154 N TYR B 592 7.885 -2.828 7.072 1.00 0.00 N ATOM 155 CA TYR B 592 8.723 -3.923 6.580 1.00 0.00 C ATOM 156 C TYR B 592 8.325 -4.346 5.176 1.00 0.00 C ATOM 157 O TYR B 592 9.182 -4.532 4.315 1.00 0.00 O ATOM 158 CB TYR B 592 8.683 -5.107 7.562 1.00 0.00 C ATOM 159 CG TYR B 592 8.394 -6.444 6.918 1.00 0.00 C ATOM 160 CD1 TYR B 592 7.124 -6.741 6.455 1.00 0.00 C ATOM 161 CD2 TYR B 592 9.391 -7.399 6.761 1.00 0.00 C ATOM 162 CE1 TYR B 592 6.847 -7.945 5.855 1.00 0.00 C ATOM 163 CE2 TYR B 592 9.122 -8.615 6.160 1.00 0.00 C ATOM 164 CZ TYR B 592 7.846 -8.883 5.708 1.00 0.00 C ATOM 165 OH TYR B 592 7.572 -10.090 5.107 1.00 0.00 O ATOM 0 H TYR B 592 7.323 -3.064 7.890 1.00 0.00 H new ATOM 0 HA TYR B 592 9.751 -3.565 6.520 1.00 0.00 H new ATOM 0 HB2 TYR B 592 9.640 -5.166 8.080 1.00 0.00 H new ATOM 0 HB3 TYR B 592 7.923 -4.910 8.318 1.00 0.00 H new ATOM 0 HD1 TYR B 592 6.335 -6.012 6.568 1.00 0.00 H new ATOM 0 HD2 TYR B 592 10.390 -7.189 7.113 1.00 0.00 H new ATOM 0 HE1 TYR B 592 5.849 -8.156 5.499 1.00 0.00 H new ATOM 0 HE2 TYR B 592 9.905 -9.350 6.045 1.00 0.00 H new ATOM 0 HH TYR B 592 8.386 -10.635 5.082 1.00 0.00 H new ATOM 175 N LEU B 593 7.036 -4.486 4.939 1.00 0.00 N ATOM 176 CA LEU B 593 6.570 -4.875 3.618 1.00 0.00 C ATOM 177 C LEU B 593 6.803 -3.731 2.640 1.00 0.00 C ATOM 178 O LEU B 593 6.842 -3.931 1.430 1.00 0.00 O ATOM 179 CB LEU B 593 5.094 -5.311 3.643 1.00 0.00 C ATOM 180 CG LEU B 593 4.054 -4.236 3.301 1.00 0.00 C ATOM 181 CD1 LEU B 593 4.207 -3.044 4.219 1.00 0.00 C ATOM 182 CD2 LEU B 593 4.154 -3.810 1.841 1.00 0.00 C ATOM 0 H LEU B 593 6.300 -4.339 5.630 1.00 0.00 H new ATOM 0 HA LEU B 593 7.142 -5.741 3.285 1.00 0.00 H new ATOM 0 HB2 LEU B 593 4.971 -6.138 2.944 1.00 0.00 H new ATOM 0 HB3 LEU B 593 4.870 -5.698 4.637 1.00 0.00 H new ATOM 0 HG LEU B 593 3.064 -4.666 3.451 1.00 0.00 H new ATOM 0 HD11 LEU B 593 3.462 -2.290 3.964 1.00 0.00 H new ATOM 0 HD12 LEU B 593 4.064 -3.360 5.252 1.00 0.00 H new ATOM 0 HD13 LEU B 593 5.205 -2.622 4.103 1.00 0.00 H new ATOM 0 HD21 LEU B 593 3.403 -3.048 1.632 1.00 0.00 H new ATOM 0 HD22 LEU B 593 5.147 -3.404 1.648 1.00 0.00 H new ATOM 0 HD23 LEU B 593 3.983 -4.673 1.198 1.00 0.00 H new ATOM 194 N GLU B 594 6.970 -2.530 3.175 1.00 0.00 N ATOM 195 CA GLU B 594 7.214 -1.370 2.339 1.00 0.00 C ATOM 196 C GLU B 594 8.527 -1.528 1.585 1.00 0.00 C ATOM 197 O GLU B 594 8.684 -1.021 0.475 1.00 0.00 O ATOM 198 CB GLU B 594 7.252 -0.102 3.178 1.00 0.00 C ATOM 199 CG GLU B 594 7.244 1.174 2.353 1.00 0.00 C ATOM 200 CD GLU B 594 6.507 2.309 3.039 1.00 0.00 C ATOM 201 OE1 GLU B 594 5.573 2.025 3.818 1.00 0.00 O ATOM 202 OE2 GLU B 594 6.865 3.481 2.796 1.00 0.00 O ATOM 0 H GLU B 594 6.941 -2.337 4.176 1.00 0.00 H new ATOM 0 HA GLU B 594 6.398 -1.291 1.621 1.00 0.00 H new ATOM 0 HB2 GLU B 594 6.394 -0.095 3.850 1.00 0.00 H new ATOM 0 HB3 GLU B 594 8.146 -0.116 3.802 1.00 0.00 H new ATOM 0 HG2 GLU B 594 8.271 1.480 2.155 1.00 0.00 H new ATOM 0 HG3 GLU B 594 6.779 0.975 1.388 1.00 0.00 H new ATOM 209 N GLU B 595 9.467 -2.233 2.206 1.00 0.00 N ATOM 210 CA GLU B 595 10.779 -2.458 1.610 1.00 0.00 C ATOM 211 C GLU B 595 10.704 -3.444 0.451 1.00 0.00 C ATOM 212 O GLU B 595 11.296 -3.222 -0.604 1.00 0.00 O ATOM 213 CB GLU B 595 11.783 -2.933 2.671 1.00 0.00 C ATOM 214 CG GLU B 595 11.788 -4.437 2.911 1.00 0.00 C ATOM 215 CD GLU B 595 12.644 -5.186 1.908 1.00 0.00 C ATOM 216 OE1 GLU B 595 13.854 -4.890 1.822 1.00 0.00 O ATOM 217 OE2 GLU B 595 12.103 -6.067 1.207 1.00 0.00 O ATOM 0 H GLU B 595 9.344 -2.659 3.124 1.00 0.00 H new ATOM 0 HA GLU B 595 11.129 -1.507 1.209 1.00 0.00 H new ATOM 0 HB2 GLU B 595 12.784 -2.623 2.370 1.00 0.00 H new ATOM 0 HB3 GLU B 595 11.563 -2.429 3.612 1.00 0.00 H new ATOM 0 HG2 GLU B 595 12.154 -4.639 3.918 1.00 0.00 H new ATOM 0 HG3 GLU B 595 10.766 -4.812 2.862 1.00 0.00 H new ATOM 224 N ILE B 596 9.971 -4.526 0.653 1.00 0.00 N ATOM 225 CA ILE B 596 9.819 -5.543 -0.391 1.00 0.00 C ATOM 226 C ILE B 596 9.230 -4.940 -1.656 1.00 0.00 C ATOM 227 O ILE B 596 9.447 -5.438 -2.760 1.00 0.00 O ATOM 228 CB ILE B 596 8.935 -6.723 0.059 1.00 0.00 C ATOM 229 CG1 ILE B 596 7.532 -6.243 0.417 1.00 0.00 C ATOM 230 CG2 ILE B 596 9.569 -7.442 1.238 1.00 0.00 C ATOM 231 CD1 ILE B 596 6.455 -7.248 0.082 1.00 0.00 C ATOM 0 H ILE B 596 9.473 -4.728 1.520 1.00 0.00 H new ATOM 0 HA ILE B 596 10.821 -5.923 -0.592 1.00 0.00 H new ATOM 0 HB ILE B 596 8.853 -7.424 -0.771 1.00 0.00 H new ATOM 0 HG12 ILE B 596 7.493 -6.020 1.483 1.00 0.00 H new ATOM 0 HG13 ILE B 596 7.328 -5.312 -0.111 1.00 0.00 H new ATOM 0 HG21 ILE B 596 8.932 -8.272 1.543 1.00 0.00 H new ATOM 0 HG22 ILE B 596 10.548 -7.823 0.948 1.00 0.00 H new ATOM 0 HG23 ILE B 596 9.682 -6.747 2.070 1.00 0.00 H new ATOM 0 HD11 ILE B 596 5.482 -6.845 0.362 1.00 0.00 H new ATOM 0 HD12 ILE B 596 6.469 -7.453 -0.988 1.00 0.00 H new ATOM 0 HD13 ILE B 596 6.636 -8.172 0.631 1.00 0.00 H new ATOM 243 N LEU B 597 8.479 -3.871 -1.477 1.00 0.00 N ATOM 244 CA LEU B 597 7.838 -3.184 -2.581 1.00 0.00 C ATOM 245 C LEU B 597 8.829 -2.409 -3.419 1.00 0.00 C ATOM 246 O LEU B 597 9.251 -2.849 -4.488 1.00 0.00 O ATOM 247 CB LEU B 597 6.787 -2.224 -2.038 1.00 0.00 C ATOM 248 CG LEU B 597 6.361 -1.114 -3.008 1.00 0.00 C ATOM 249 CD1 LEU B 597 5.748 -1.705 -4.264 1.00 0.00 C ATOM 250 CD2 LEU B 597 5.394 -0.158 -2.330 1.00 0.00 C ATOM 0 H LEU B 597 8.296 -3.455 -0.564 1.00 0.00 H new ATOM 0 HA LEU B 597 7.377 -3.939 -3.217 1.00 0.00 H new ATOM 0 HB2 LEU B 597 5.904 -2.797 -1.755 1.00 0.00 H new ATOM 0 HB3 LEU B 597 7.173 -1.763 -1.129 1.00 0.00 H new ATOM 0 HG LEU B 597 7.248 -0.552 -3.299 1.00 0.00 H new ATOM 0 HD11 LEU B 597 5.453 -0.901 -4.938 1.00 0.00 H new ATOM 0 HD12 LEU B 597 6.479 -2.344 -4.760 1.00 0.00 H new ATOM 0 HD13 LEU B 597 4.871 -2.295 -3.998 1.00 0.00 H new ATOM 0 HD21 LEU B 597 5.102 0.623 -3.032 1.00 0.00 H new ATOM 0 HD22 LEU B 597 4.508 -0.705 -2.007 1.00 0.00 H new ATOM 0 HD23 LEU B 597 5.877 0.295 -1.464 1.00 0.00 H new ATOM 262 N VAL B 598 9.152 -1.230 -2.935 1.00 0.00 N ATOM 263 CA VAL B 598 10.043 -0.340 -3.629 1.00 0.00 C ATOM 264 C VAL B 598 10.961 0.369 -2.653 1.00 0.00 C ATOM 265 O VAL B 598 11.379 1.503 -2.882 1.00 0.00 O ATOM 266 CB VAL B 598 9.244 0.704 -4.429 1.00 0.00 C ATOM 267 CG1 VAL B 598 8.342 0.036 -5.459 1.00 0.00 C ATOM 268 CG2 VAL B 598 8.423 1.570 -3.487 1.00 0.00 C ATOM 0 H VAL B 598 8.802 -0.866 -2.049 1.00 0.00 H new ATOM 0 HA VAL B 598 10.646 -0.936 -4.315 1.00 0.00 H new ATOM 0 HB VAL B 598 9.952 1.336 -4.964 1.00 0.00 H new ATOM 0 HG11 VAL B 598 7.790 0.799 -6.009 1.00 0.00 H new ATOM 0 HG12 VAL B 598 8.950 -0.543 -6.154 1.00 0.00 H new ATOM 0 HG13 VAL B 598 7.639 -0.626 -4.953 1.00 0.00 H new ATOM 0 HG21 VAL B 598 7.862 2.305 -4.064 1.00 0.00 H new ATOM 0 HG22 VAL B 598 7.730 0.942 -2.927 1.00 0.00 H new ATOM 0 HG23 VAL B 598 9.088 2.084 -2.793 1.00 0.00 H new ATOM 367 N VAL A 454 -8.746 -7.008 -2.239 1.00 0.00 N ATOM 368 CA VAL A 454 -7.495 -6.330 -2.550 1.00 0.00 C ATOM 369 C VAL A 454 -6.848 -6.932 -3.785 1.00 0.00 C ATOM 370 O VAL A 454 -6.454 -8.099 -3.789 1.00 0.00 O ATOM 371 CB VAL A 454 -6.517 -6.378 -1.354 1.00 0.00 C ATOM 372 CG1 VAL A 454 -5.078 -6.621 -1.800 1.00 0.00 C ATOM 373 CG2 VAL A 454 -6.621 -5.088 -0.572 1.00 0.00 C ATOM 0 HA VAL A 454 -7.729 -5.285 -2.754 1.00 0.00 H new ATOM 0 HB VAL A 454 -6.797 -7.218 -0.718 1.00 0.00 H new ATOM 0 HG11 VAL A 454 -4.426 -6.647 -0.927 1.00 0.00 H new ATOM 0 HG12 VAL A 454 -5.016 -7.573 -2.327 1.00 0.00 H new ATOM 0 HG13 VAL A 454 -4.762 -5.817 -2.465 1.00 0.00 H new ATOM 0 HG21 VAL A 454 -5.933 -5.118 0.273 1.00 0.00 H new ATOM 0 HG22 VAL A 454 -6.365 -4.249 -1.219 1.00 0.00 H new ATOM 0 HG23 VAL A 454 -7.640 -4.966 -0.205 1.00 0.00 H new ATOM 383 N THR A 455 -6.757 -6.135 -4.839 1.00 0.00 N ATOM 384 CA THR A 455 -6.174 -6.601 -6.083 1.00 0.00 C ATOM 385 C THR A 455 -5.151 -5.639 -6.643 1.00 0.00 C ATOM 386 O THR A 455 -5.020 -4.503 -6.190 1.00 0.00 O ATOM 387 CB THR A 455 -7.269 -6.829 -7.110 1.00 0.00 C ATOM 388 OG1 THR A 455 -8.110 -5.693 -7.209 1.00 0.00 O ATOM 389 CG2 THR A 455 -8.130 -8.013 -6.753 1.00 0.00 C ATOM 0 H THR A 455 -7.078 -5.167 -4.856 1.00 0.00 H new ATOM 0 HA THR A 455 -5.657 -7.535 -5.864 1.00 0.00 H new ATOM 0 HB THR A 455 -6.769 -7.016 -8.060 1.00 0.00 H new ATOM 0 HG1 THR A 455 -8.808 -5.860 -7.877 1.00 0.00 H new ATOM 0 HG21 THR A 455 -8.902 -8.144 -7.512 1.00 0.00 H new ATOM 0 HG22 THR A 455 -7.513 -8.910 -6.705 1.00 0.00 H new ATOM 0 HG23 THR A 455 -8.599 -7.843 -5.784 1.00 0.00 H new ATOM 397 N GLU A 456 -4.447 -6.115 -7.654 1.00 0.00 N ATOM 398 CA GLU A 456 -3.438 -5.335 -8.332 1.00 0.00 C ATOM 399 C GLU A 456 -4.085 -4.210 -9.122 1.00 0.00 C ATOM 400 O GLU A 456 -3.749 -3.039 -8.957 1.00 0.00 O ATOM 401 CB GLU A 456 -2.660 -6.243 -9.274 1.00 0.00 C ATOM 402 CG GLU A 456 -1.447 -6.896 -8.634 1.00 0.00 C ATOM 403 CD GLU A 456 -0.667 -7.750 -9.614 1.00 0.00 C ATOM 404 OE1 GLU A 456 -0.329 -7.244 -10.705 1.00 0.00 O ATOM 405 OE2 GLU A 456 -0.394 -8.926 -9.292 1.00 0.00 O ATOM 0 H GLU A 456 -4.563 -7.058 -8.026 1.00 0.00 H new ATOM 0 HA GLU A 456 -2.763 -4.899 -7.595 1.00 0.00 H new ATOM 0 HB2 GLU A 456 -3.326 -7.022 -9.646 1.00 0.00 H new ATOM 0 HB3 GLU A 456 -2.335 -5.662 -10.137 1.00 0.00 H new ATOM 0 HG2 GLU A 456 -0.793 -6.124 -8.229 1.00 0.00 H new ATOM 0 HG3 GLU A 456 -1.770 -7.513 -7.795 1.00 0.00 H new ATOM 412 N ASP A 457 -5.020 -4.591 -9.981 1.00 0.00 N ATOM 413 CA ASP A 457 -5.736 -3.636 -10.823 1.00 0.00 C ATOM 414 C ASP A 457 -6.310 -2.482 -10.007 1.00 0.00 C ATOM 415 O ASP A 457 -6.510 -1.382 -10.523 1.00 0.00 O ATOM 416 CB ASP A 457 -6.857 -4.344 -11.579 1.00 0.00 C ATOM 417 CG ASP A 457 -6.674 -4.277 -13.082 1.00 0.00 C ATOM 418 OD1 ASP A 457 -6.136 -3.262 -13.571 1.00 0.00 O ATOM 419 OD2 ASP A 457 -7.069 -5.241 -13.772 1.00 0.00 O ATOM 0 H ASP A 457 -5.304 -5.561 -10.115 1.00 0.00 H new ATOM 0 HA ASP A 457 -5.021 -3.220 -11.533 1.00 0.00 H new ATOM 0 HB2 ASP A 457 -6.899 -5.388 -11.267 1.00 0.00 H new ATOM 0 HB3 ASP A 457 -7.813 -3.893 -11.312 1.00 0.00 H new ATOM 424 N ALA A 458 -6.581 -2.744 -8.739 1.00 0.00 N ATOM 425 CA ALA A 458 -7.143 -1.737 -7.852 1.00 0.00 C ATOM 426 C ALA A 458 -6.090 -0.739 -7.388 1.00 0.00 C ATOM 427 O ALA A 458 -6.379 0.441 -7.208 1.00 0.00 O ATOM 428 CB ALA A 458 -7.796 -2.401 -6.651 1.00 0.00 C ATOM 0 H ALA A 458 -6.420 -3.650 -8.299 1.00 0.00 H new ATOM 0 HA ALA A 458 -7.896 -1.186 -8.416 1.00 0.00 H new ATOM 0 HB1 ALA A 458 -8.213 -1.637 -5.995 1.00 0.00 H new ATOM 0 HB2 ALA A 458 -8.593 -3.063 -6.990 1.00 0.00 H new ATOM 0 HB3 ALA A 458 -7.051 -2.980 -6.106 1.00 0.00 H new ATOM 434 N VAL A 459 -4.870 -1.218 -7.180 1.00 0.00 N ATOM 435 CA VAL A 459 -3.792 -0.356 -6.723 1.00 0.00 C ATOM 436 C VAL A 459 -3.262 0.516 -7.852 1.00 0.00 C ATOM 437 O VAL A 459 -2.976 1.696 -7.657 1.00 0.00 O ATOM 438 CB VAL A 459 -2.635 -1.167 -6.116 1.00 0.00 C ATOM 439 CG1 VAL A 459 -1.720 -0.263 -5.307 1.00 0.00 C ATOM 440 CG2 VAL A 459 -3.170 -2.295 -5.251 1.00 0.00 C ATOM 0 H VAL A 459 -4.605 -2.193 -7.320 1.00 0.00 H new ATOM 0 HA VAL A 459 -4.213 0.285 -5.948 1.00 0.00 H new ATOM 0 HB VAL A 459 -2.057 -1.604 -6.930 1.00 0.00 H new ATOM 0 HG11 VAL A 459 -0.907 -0.853 -4.884 1.00 0.00 H new ATOM 0 HG12 VAL A 459 -1.308 0.511 -5.954 1.00 0.00 H new ATOM 0 HG13 VAL A 459 -2.288 0.202 -4.501 1.00 0.00 H new ATOM 0 HG21 VAL A 459 -2.337 -2.858 -4.830 1.00 0.00 H new ATOM 0 HG22 VAL A 459 -3.772 -1.880 -4.443 1.00 0.00 H new ATOM 0 HG23 VAL A 459 -3.786 -2.958 -5.858 1.00 0.00 H new ATOM 450 N ARG A 460 -3.149 -0.069 -9.034 1.00 0.00 N ATOM 451 CA ARG A 460 -2.665 0.660 -10.205 1.00 0.00 C ATOM 452 C ARG A 460 -3.490 1.927 -10.417 1.00 0.00 C ATOM 453 O ARG A 460 -2.952 2.979 -10.761 1.00 0.00 O ATOM 454 CB ARG A 460 -2.726 -0.224 -11.458 1.00 0.00 C ATOM 455 CG ARG A 460 -2.148 -1.621 -11.268 1.00 0.00 C ATOM 456 CD ARG A 460 -0.713 -1.584 -10.756 1.00 0.00 C ATOM 457 NE ARG A 460 0.250 -1.907 -11.808 1.00 0.00 N ATOM 458 CZ ARG A 460 0.754 -1.014 -12.657 1.00 0.00 C ATOM 459 NH1 ARG A 460 0.393 0.262 -12.586 1.00 0.00 N ATOM 460 NH2 ARG A 460 1.624 -1.398 -13.580 1.00 0.00 N ATOM 0 H ARG A 460 -3.385 -1.045 -9.212 1.00 0.00 H new ATOM 0 HA ARG A 460 -1.626 0.939 -10.029 1.00 0.00 H new ATOM 0 HB2 ARG A 460 -3.765 -0.313 -11.775 1.00 0.00 H new ATOM 0 HB3 ARG A 460 -2.188 0.273 -12.265 1.00 0.00 H new ATOM 0 HG2 ARG A 460 -2.769 -2.177 -10.565 1.00 0.00 H new ATOM 0 HG3 ARG A 460 -2.180 -2.158 -12.216 1.00 0.00 H new ATOM 0 HD2 ARG A 460 -0.496 -0.593 -10.357 1.00 0.00 H new ATOM 0 HD3 ARG A 460 -0.603 -2.291 -9.933 1.00 0.00 H new ATOM 0 HE ARG A 460 0.554 -2.876 -11.897 1.00 0.00 H new ATOM 0 HH11 ARG A 460 -0.275 0.564 -11.877 1.00 0.00 H new ATOM 0 HH12 ARG A 460 0.784 0.940 -13.240 1.00 0.00 H new ATOM 0 HH21 ARG A 460 1.906 -2.376 -13.639 1.00 0.00 H new ATOM 0 HH22 ARG A 460 2.011 -0.715 -14.231 1.00 0.00 H new ATOM 474 N ARG A 461 -4.798 1.819 -10.194 1.00 0.00 N ATOM 475 CA ARG A 461 -5.701 2.952 -10.344 1.00 0.00 C ATOM 476 C ARG A 461 -5.478 3.968 -9.228 1.00 0.00 C ATOM 477 O ARG A 461 -5.687 5.165 -9.418 1.00 0.00 O ATOM 478 CB ARG A 461 -7.156 2.475 -10.365 1.00 0.00 C ATOM 479 CG ARG A 461 -7.639 1.965 -9.025 1.00 0.00 C ATOM 480 CD ARG A 461 -9.028 2.473 -8.690 1.00 0.00 C ATOM 481 NE ARG A 461 -9.976 1.381 -8.485 1.00 0.00 N ATOM 482 CZ ARG A 461 -10.501 0.660 -9.473 1.00 0.00 C ATOM 483 NH1 ARG A 461 -10.176 0.912 -10.734 1.00 0.00 N ATOM 484 NH2 ARG A 461 -11.356 -0.316 -9.198 1.00 0.00 N ATOM 0 H ARG A 461 -5.255 0.953 -9.908 1.00 0.00 H new ATOM 0 HA ARG A 461 -5.488 3.442 -11.294 1.00 0.00 H new ATOM 0 HB2 ARG A 461 -7.796 3.297 -10.685 1.00 0.00 H new ATOM 0 HB3 ARG A 461 -7.261 1.683 -11.106 1.00 0.00 H new ATOM 0 HG2 ARG A 461 -7.644 0.875 -9.032 1.00 0.00 H new ATOM 0 HG3 ARG A 461 -6.942 2.275 -8.247 1.00 0.00 H new ATOM 0 HD2 ARG A 461 -8.982 3.087 -7.790 1.00 0.00 H new ATOM 0 HD3 ARG A 461 -9.383 3.115 -9.496 1.00 0.00 H new ATOM 0 HE ARG A 461 -10.252 1.158 -7.529 1.00 0.00 H new ATOM 0 HH11 ARG A 461 -9.520 1.662 -10.951 1.00 0.00 H new ATOM 0 HH12 ARG A 461 -10.582 0.356 -11.486 1.00 0.00 H new ATOM 0 HH21 ARG A 461 -11.611 -0.513 -8.230 1.00 0.00 H new ATOM 0 HH22 ARG A 461 -11.759 -0.869 -9.954 1.00 0.00 H new ATOM 498 N TYR A 462 -5.034 3.485 -8.070 1.00 0.00 N ATOM 499 CA TYR A 462 -4.765 4.361 -6.939 1.00 0.00 C ATOM 500 C TYR A 462 -3.605 5.286 -7.269 1.00 0.00 C ATOM 501 O TYR A 462 -3.596 6.453 -6.884 1.00 0.00 O ATOM 502 CB TYR A 462 -4.441 3.543 -5.683 1.00 0.00 C ATOM 503 CG TYR A 462 -5.562 2.631 -5.227 1.00 0.00 C ATOM 504 CD1 TYR A 462 -6.833 2.714 -5.791 1.00 0.00 C ATOM 505 CD2 TYR A 462 -5.348 1.683 -4.233 1.00 0.00 C ATOM 506 CE1 TYR A 462 -7.853 1.881 -5.377 1.00 0.00 C ATOM 507 CE2 TYR A 462 -6.367 0.846 -3.816 1.00 0.00 C ATOM 508 CZ TYR A 462 -7.616 0.948 -4.392 1.00 0.00 C ATOM 509 OH TYR A 462 -8.630 0.116 -3.978 1.00 0.00 O ATOM 0 H TYR A 462 -4.854 2.497 -7.893 1.00 0.00 H new ATOM 0 HA TYR A 462 -5.657 4.956 -6.741 1.00 0.00 H new ATOM 0 HB2 TYR A 462 -3.553 2.940 -5.875 1.00 0.00 H new ATOM 0 HB3 TYR A 462 -4.192 4.227 -4.872 1.00 0.00 H new ATOM 0 HD1 TYR A 462 -7.024 3.442 -6.565 1.00 0.00 H new ATOM 0 HD2 TYR A 462 -4.371 1.599 -3.780 1.00 0.00 H new ATOM 0 HE1 TYR A 462 -8.833 1.961 -5.824 1.00 0.00 H new ATOM 0 HE2 TYR A 462 -6.185 0.115 -3.042 1.00 0.00 H new ATOM 0 HH TYR A 462 -8.348 -0.368 -3.174 1.00 0.00 H new ATOM 519 N LEU A 463 -2.630 4.750 -7.993 1.00 0.00 N ATOM 520 CA LEU A 463 -1.461 5.508 -8.392 1.00 0.00 C ATOM 521 C LEU A 463 -1.804 6.485 -9.506 1.00 0.00 C ATOM 522 O LEU A 463 -1.581 7.690 -9.383 1.00 0.00 O ATOM 523 CB LEU A 463 -0.366 4.558 -8.864 1.00 0.00 C ATOM 524 CG LEU A 463 -0.378 3.163 -8.232 1.00 0.00 C ATOM 525 CD1 LEU A 463 0.914 2.433 -8.547 1.00 0.00 C ATOM 526 CD2 LEU A 463 -0.587 3.250 -6.725 1.00 0.00 C ATOM 0 H LEU A 463 -2.631 3.783 -8.316 1.00 0.00 H new ATOM 0 HA LEU A 463 -1.108 6.074 -7.530 1.00 0.00 H new ATOM 0 HB2 LEU A 463 -0.448 4.447 -9.945 1.00 0.00 H new ATOM 0 HB3 LEU A 463 0.601 5.019 -8.663 1.00 0.00 H new ATOM 0 HG LEU A 463 -1.210 2.602 -8.657 1.00 0.00 H new ATOM 0 HD11 LEU A 463 0.893 1.443 -8.092 1.00 0.00 H new ATOM 0 HD12 LEU A 463 1.022 2.334 -9.627 1.00 0.00 H new ATOM 0 HD13 LEU A 463 1.757 2.997 -8.149 1.00 0.00 H new ATOM 0 HD21 LEU A 463 -0.592 2.246 -6.300 1.00 0.00 H new ATOM 0 HD22 LEU A 463 0.221 3.830 -6.278 1.00 0.00 H new ATOM 0 HD23 LEU A 463 -1.540 3.736 -6.517 1.00 0.00 H new ATOM 538 N THR A 464 -2.352 5.954 -10.596 1.00 0.00 N ATOM 539 CA THR A 464 -2.732 6.776 -11.737 1.00 0.00 C ATOM 540 C THR A 464 -3.579 7.959 -11.289 1.00 0.00 C ATOM 541 O THR A 464 -3.622 8.994 -11.955 1.00 0.00 O ATOM 542 CB THR A 464 -3.498 5.943 -12.767 1.00 0.00 C ATOM 543 OG1 THR A 464 -3.915 4.707 -12.210 1.00 0.00 O ATOM 544 CG2 THR A 464 -2.691 5.640 -14.011 1.00 0.00 C ATOM 0 H THR A 464 -2.542 4.959 -10.711 1.00 0.00 H new ATOM 0 HA THR A 464 -1.821 7.155 -12.200 1.00 0.00 H new ATOM 0 HB THR A 464 -4.355 6.554 -13.050 1.00 0.00 H new ATOM 0 HG1 THR A 464 -3.153 4.092 -12.172 1.00 0.00 H new ATOM 0 HG21 THR A 464 -3.293 5.047 -14.700 1.00 0.00 H new ATOM 0 HG22 THR A 464 -2.402 6.574 -14.494 1.00 0.00 H new ATOM 0 HG23 THR A 464 -1.796 5.081 -13.737 1.00 0.00 H new ATOM 552 N ARG A 465 -4.253 7.800 -10.156 1.00 0.00 N ATOM 553 CA ARG A 465 -5.094 8.853 -9.627 1.00 0.00 C ATOM 554 C ARG A 465 -4.325 9.731 -8.634 1.00 0.00 C ATOM 555 O ARG A 465 -4.491 10.950 -8.618 1.00 0.00 O ATOM 556 CB ARG A 465 -6.348 8.268 -8.966 1.00 0.00 C ATOM 557 CG ARG A 465 -6.091 7.590 -7.629 1.00 0.00 C ATOM 558 CD ARG A 465 -7.390 7.312 -6.889 1.00 0.00 C ATOM 559 NE ARG A 465 -7.154 6.886 -5.512 1.00 0.00 N ATOM 560 CZ ARG A 465 -8.101 6.836 -4.578 1.00 0.00 C ATOM 561 NH1 ARG A 465 -9.348 7.185 -4.870 1.00 0.00 N ATOM 562 NH2 ARG A 465 -7.801 6.437 -3.350 1.00 0.00 N ATOM 0 H ARG A 465 -4.230 6.951 -9.591 1.00 0.00 H new ATOM 0 HA ARG A 465 -5.404 9.480 -10.463 1.00 0.00 H new ATOM 0 HB2 ARG A 465 -7.075 9.067 -8.821 1.00 0.00 H new ATOM 0 HB3 ARG A 465 -6.800 7.546 -9.646 1.00 0.00 H new ATOM 0 HG2 ARG A 465 -5.555 6.655 -7.791 1.00 0.00 H new ATOM 0 HG3 ARG A 465 -5.449 8.223 -7.016 1.00 0.00 H new ATOM 0 HD2 ARG A 465 -8.007 8.210 -6.890 1.00 0.00 H new ATOM 0 HD3 ARG A 465 -7.950 6.540 -7.417 1.00 0.00 H new ATOM 0 HE ARG A 465 -6.207 6.610 -5.251 1.00 0.00 H new ATOM 0 HH11 ARG A 465 -9.584 7.493 -5.813 1.00 0.00 H new ATOM 0 HH12 ARG A 465 -10.070 7.145 -4.151 1.00 0.00 H new ATOM 0 HH21 ARG A 465 -6.844 6.168 -3.121 1.00 0.00 H new ATOM 0 HH22 ARG A 465 -8.527 6.399 -2.635 1.00 0.00 H new ATOM 576 N LYS A 466 -3.485 9.104 -7.809 1.00 0.00 N ATOM 577 CA LYS A 466 -2.695 9.835 -6.817 1.00 0.00 C ATOM 578 C LYS A 466 -1.755 8.890 -6.056 1.00 0.00 C ATOM 579 O LYS A 466 -2.169 7.829 -5.597 1.00 0.00 O ATOM 580 CB LYS A 466 -3.622 10.570 -5.842 1.00 0.00 C ATOM 581 CG LYS A 466 -4.254 9.670 -4.793 1.00 0.00 C ATOM 582 CD LYS A 466 -3.373 9.566 -3.562 1.00 0.00 C ATOM 583 CE LYS A 466 -3.323 8.144 -3.028 1.00 0.00 C ATOM 584 NZ LYS A 466 -3.325 8.108 -1.540 1.00 0.00 N ATOM 0 H LYS A 466 -3.334 8.095 -7.808 1.00 0.00 H new ATOM 0 HA LYS A 466 -2.081 10.568 -7.341 1.00 0.00 H new ATOM 0 HB2 LYS A 466 -3.056 11.354 -5.340 1.00 0.00 H new ATOM 0 HB3 LYS A 466 -4.413 11.061 -6.409 1.00 0.00 H new ATOM 0 HG2 LYS A 466 -5.231 10.063 -4.513 1.00 0.00 H new ATOM 0 HG3 LYS A 466 -4.418 8.677 -5.212 1.00 0.00 H new ATOM 0 HD2 LYS A 466 -2.364 9.899 -3.807 1.00 0.00 H new ATOM 0 HD3 LYS A 466 -3.750 10.233 -2.787 1.00 0.00 H new ATOM 0 HE2 LYS A 466 -4.179 7.584 -3.406 1.00 0.00 H new ATOM 0 HE3 LYS A 466 -2.428 7.647 -3.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 466 -2.393 7.798 -1.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 466 -3.531 9.058 -1.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 466 -4.053 7.443 -1.210 1.00 0.00 H new ATOM 598 N PRO A 467 -0.466 9.262 -5.919 1.00 0.00 N ATOM 599 CA PRO A 467 0.531 8.435 -5.223 1.00 0.00 C ATOM 600 C PRO A 467 0.158 8.125 -3.776 1.00 0.00 C ATOM 601 O PRO A 467 -0.559 8.885 -3.127 1.00 0.00 O ATOM 602 CB PRO A 467 1.818 9.266 -5.295 1.00 0.00 C ATOM 603 CG PRO A 467 1.366 10.651 -5.603 1.00 0.00 C ATOM 604 CD PRO A 467 0.127 10.505 -6.437 1.00 0.00 C ATOM 0 HA PRO A 467 0.622 7.454 -5.689 1.00 0.00 H new ATOM 0 HB2 PRO A 467 2.364 9.230 -4.353 1.00 0.00 H new ATOM 0 HB3 PRO A 467 2.489 8.889 -6.067 1.00 0.00 H new ATOM 0 HG2 PRO A 467 1.158 11.206 -4.688 1.00 0.00 H new ATOM 0 HG3 PRO A 467 2.137 11.202 -6.142 1.00 0.00 H new ATOM 0 HD2 PRO A 467 -0.545 11.355 -6.317 1.00 0.00 H new ATOM 0 HD3 PRO A 467 0.360 10.431 -7.499 1.00 0.00 H new ATOM 612 N MET A 468 0.653 6.989 -3.284 1.00 0.00 N ATOM 613 CA MET A 468 0.375 6.551 -1.917 1.00 0.00 C ATOM 614 C MET A 468 1.524 5.727 -1.350 1.00 0.00 C ATOM 615 O MET A 468 2.326 5.158 -2.089 1.00 0.00 O ATOM 616 CB MET A 468 -0.896 5.687 -1.874 1.00 0.00 C ATOM 617 CG MET A 468 -0.658 4.225 -2.238 1.00 0.00 C ATOM 618 SD MET A 468 0.182 4.032 -3.823 1.00 0.00 S ATOM 619 CE MET A 468 1.471 2.854 -3.410 1.00 0.00 C ATOM 0 H MET A 468 1.250 6.354 -3.814 1.00 0.00 H new ATOM 0 HA MET A 468 0.243 7.452 -1.317 1.00 0.00 H new ATOM 0 HB2 MET A 468 -1.325 5.738 -0.873 1.00 0.00 H new ATOM 0 HB3 MET A 468 -1.633 6.107 -2.558 1.00 0.00 H new ATOM 0 HG2 MET A 468 -0.064 3.752 -1.456 1.00 0.00 H new ATOM 0 HG3 MET A 468 -1.614 3.703 -2.272 1.00 0.00 H new ATOM 0 HE1 MET A 468 2.442 3.265 -3.686 1.00 0.00 H new ATOM 0 HE2 MET A 468 1.453 2.655 -2.338 1.00 0.00 H new ATOM 0 HE3 MET A 468 1.303 1.925 -3.954 1.00 0.00 H new ATOM 629 N THR A 469 1.546 5.615 -0.029 1.00 0.00 N ATOM 630 CA THR A 469 2.534 4.798 0.653 1.00 0.00 C ATOM 631 C THR A 469 1.883 3.447 0.929 1.00 0.00 C ATOM 632 O THR A 469 0.731 3.242 0.552 1.00 0.00 O ATOM 633 CB THR A 469 2.980 5.454 1.962 1.00 0.00 C ATOM 634 OG1 THR A 469 1.996 5.284 2.966 1.00 0.00 O ATOM 635 CG2 THR A 469 3.249 6.935 1.828 1.00 0.00 C ATOM 0 H THR A 469 0.886 6.083 0.592 1.00 0.00 H new ATOM 0 HA THR A 469 3.424 4.683 0.035 1.00 0.00 H new ATOM 0 HB THR A 469 3.911 4.957 2.233 1.00 0.00 H new ATOM 0 HG1 THR A 469 1.803 6.149 3.384 1.00 0.00 H new ATOM 0 HG21 THR A 469 3.561 7.337 2.792 1.00 0.00 H new ATOM 0 HG22 THR A 469 4.039 7.096 1.095 1.00 0.00 H new ATOM 0 HG23 THR A 469 2.341 7.442 1.500 1.00 0.00 H new ATOM 643 N THR A 470 2.579 2.525 1.579 1.00 0.00 N ATOM 644 CA THR A 470 1.973 1.228 1.862 1.00 0.00 C ATOM 645 C THR A 470 0.898 1.354 2.923 1.00 0.00 C ATOM 646 O THR A 470 -0.194 0.804 2.785 1.00 0.00 O ATOM 647 CB THR A 470 3.015 0.195 2.278 1.00 0.00 C ATOM 648 OG1 THR A 470 4.323 0.656 2.001 1.00 0.00 O ATOM 649 CG2 THR A 470 2.834 -1.132 1.573 1.00 0.00 C ATOM 0 H THR A 470 3.536 2.642 1.913 1.00 0.00 H new ATOM 0 HA THR A 470 1.511 0.879 0.938 1.00 0.00 H new ATOM 0 HB THR A 470 2.875 0.050 3.349 1.00 0.00 H new ATOM 0 HG1 THR A 470 4.781 0.864 2.842 1.00 0.00 H new ATOM 0 HG21 THR A 470 3.602 -1.829 1.907 1.00 0.00 H new ATOM 0 HG22 THR A 470 1.850 -1.537 1.807 1.00 0.00 H new ATOM 0 HG23 THR A 470 2.919 -0.987 0.496 1.00 0.00 H new ATOM 657 N LYS A 471 1.206 2.094 3.971 1.00 0.00 N ATOM 658 CA LYS A 471 0.254 2.306 5.052 1.00 0.00 C ATOM 659 C LYS A 471 -0.974 3.029 4.528 1.00 0.00 C ATOM 660 O LYS A 471 -2.107 2.592 4.728 1.00 0.00 O ATOM 661 CB LYS A 471 0.869 3.103 6.213 1.00 0.00 C ATOM 662 CG LYS A 471 1.779 4.261 5.818 1.00 0.00 C ATOM 663 CD LYS A 471 3.158 3.785 5.404 1.00 0.00 C ATOM 664 CE LYS A 471 4.256 4.524 6.152 1.00 0.00 C ATOM 665 NZ LYS A 471 5.440 4.786 5.286 1.00 0.00 N ATOM 0 H LYS A 471 2.105 2.559 4.100 1.00 0.00 H new ATOM 0 HA LYS A 471 -0.029 1.326 5.435 1.00 0.00 H new ATOM 0 HB2 LYS A 471 0.059 3.496 6.827 1.00 0.00 H new ATOM 0 HB3 LYS A 471 1.439 2.416 6.838 1.00 0.00 H new ATOM 0 HG2 LYS A 471 1.325 4.815 4.996 1.00 0.00 H new ATOM 0 HG3 LYS A 471 1.871 4.952 6.656 1.00 0.00 H new ATOM 0 HD2 LYS A 471 3.246 2.715 5.593 1.00 0.00 H new ATOM 0 HD3 LYS A 471 3.287 3.931 4.331 1.00 0.00 H new ATOM 0 HE2 LYS A 471 3.866 5.469 6.529 1.00 0.00 H new ATOM 0 HE3 LYS A 471 4.563 3.938 7.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 471 6.107 5.406 5.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 471 5.909 3.886 5.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 471 5.132 5.249 4.407 1.00 0.00 H new ATOM 679 N ASP A 472 -0.730 4.137 3.852 1.00 0.00 N ATOM 680 CA ASP A 472 -1.803 4.944 3.280 1.00 0.00 C ATOM 681 C ASP A 472 -2.660 4.127 2.312 1.00 0.00 C ATOM 682 O ASP A 472 -3.835 4.431 2.106 1.00 0.00 O ATOM 683 CB ASP A 472 -1.224 6.161 2.561 1.00 0.00 C ATOM 684 CG ASP A 472 -2.301 7.123 2.097 1.00 0.00 C ATOM 685 OD1 ASP A 472 -3.121 7.548 2.937 1.00 0.00 O ATOM 686 OD2 ASP A 472 -2.324 7.451 0.891 1.00 0.00 O ATOM 0 H ASP A 472 0.207 4.504 3.683 1.00 0.00 H new ATOM 0 HA ASP A 472 -2.440 5.278 4.099 1.00 0.00 H new ATOM 0 HB2 ASP A 472 -0.538 6.682 3.229 1.00 0.00 H new ATOM 0 HB3 ASP A 472 -0.642 5.829 1.701 1.00 0.00 H new ATOM 691 N LEU A 473 -2.067 3.096 1.715 1.00 0.00 N ATOM 692 CA LEU A 473 -2.783 2.248 0.765 1.00 0.00 C ATOM 693 C LEU A 473 -3.599 1.178 1.481 1.00 0.00 C ATOM 694 O LEU A 473 -4.729 0.877 1.097 1.00 0.00 O ATOM 695 CB LEU A 473 -1.795 1.590 -0.193 1.00 0.00 C ATOM 696 CG LEU A 473 -2.293 1.386 -1.622 1.00 0.00 C ATOM 697 CD1 LEU A 473 -1.114 1.303 -2.577 1.00 0.00 C ATOM 698 CD2 LEU A 473 -3.137 0.125 -1.710 1.00 0.00 C ATOM 0 H LEU A 473 -1.095 2.828 1.871 1.00 0.00 H new ATOM 0 HA LEU A 473 -3.471 2.879 0.203 1.00 0.00 H new ATOM 0 HB2 LEU A 473 -0.891 2.197 -0.226 1.00 0.00 H new ATOM 0 HB3 LEU A 473 -1.513 0.620 0.216 1.00 0.00 H new ATOM 0 HG LEU A 473 -2.913 2.237 -1.905 1.00 0.00 H new ATOM 0 HD11 LEU A 473 -1.479 1.157 -3.594 1.00 0.00 H new ATOM 0 HD12 LEU A 473 -0.539 2.228 -2.527 1.00 0.00 H new ATOM 0 HD13 LEU A 473 -0.477 0.464 -2.297 1.00 0.00 H new ATOM 0 HD21 LEU A 473 -3.486 -0.009 -2.734 1.00 0.00 H new ATOM 0 HD22 LEU A 473 -2.537 -0.736 -1.416 1.00 0.00 H new ATOM 0 HD23 LEU A 473 -3.995 0.214 -1.043 1.00 0.00 H new ATOM 710 N LEU A 474 -3.005 0.596 2.509 1.00 0.00 N ATOM 711 CA LEU A 474 -3.653 -0.465 3.280 1.00 0.00 C ATOM 712 C LEU A 474 -4.584 0.074 4.367 1.00 0.00 C ATOM 713 O LEU A 474 -5.519 -0.612 4.780 1.00 0.00 O ATOM 714 CB LEU A 474 -2.615 -1.384 3.918 1.00 0.00 C ATOM 715 CG LEU A 474 -1.589 -0.667 4.780 1.00 0.00 C ATOM 716 CD1 LEU A 474 -1.983 -0.730 6.248 1.00 0.00 C ATOM 717 CD2 LEU A 474 -0.202 -1.256 4.569 1.00 0.00 C ATOM 0 H LEU A 474 -2.069 0.839 2.835 1.00 0.00 H new ATOM 0 HA LEU A 474 -4.260 -1.026 2.570 1.00 0.00 H new ATOM 0 HB2 LEU A 474 -3.130 -2.126 4.528 1.00 0.00 H new ATOM 0 HB3 LEU A 474 -2.094 -1.927 3.129 1.00 0.00 H new ATOM 0 HG LEU A 474 -1.563 0.380 4.479 1.00 0.00 H new ATOM 0 HD11 LEU A 474 -1.235 -0.211 6.848 1.00 0.00 H new ATOM 0 HD12 LEU A 474 -2.953 -0.253 6.385 1.00 0.00 H new ATOM 0 HD13 LEU A 474 -2.043 -1.771 6.564 1.00 0.00 H new ATOM 0 HD21 LEU A 474 0.517 -0.728 5.196 1.00 0.00 H new ATOM 0 HD22 LEU A 474 -0.211 -2.312 4.838 1.00 0.00 H new ATOM 0 HD23 LEU A 474 0.083 -1.150 3.522 1.00 0.00 H new ATOM 729 N LYS A 475 -4.322 1.287 4.845 1.00 0.00 N ATOM 730 CA LYS A 475 -5.139 1.883 5.901 1.00 0.00 C ATOM 731 C LYS A 475 -6.629 1.763 5.594 1.00 0.00 C ATOM 732 O LYS A 475 -7.447 1.615 6.501 1.00 0.00 O ATOM 733 CB LYS A 475 -4.761 3.351 6.103 1.00 0.00 C ATOM 734 CG LYS A 475 -3.857 3.580 7.304 1.00 0.00 C ATOM 735 CD LYS A 475 -2.523 4.173 6.891 1.00 0.00 C ATOM 736 CE LYS A 475 -2.037 5.210 7.891 1.00 0.00 C ATOM 737 NZ LYS A 475 -0.860 4.727 8.665 1.00 0.00 N ATOM 0 H LYS A 475 -3.554 1.875 4.521 1.00 0.00 H new ATOM 0 HA LYS A 475 -4.941 1.333 6.821 1.00 0.00 H new ATOM 0 HB2 LYS A 475 -4.261 3.717 5.206 1.00 0.00 H new ATOM 0 HB3 LYS A 475 -5.670 3.940 6.224 1.00 0.00 H new ATOM 0 HG2 LYS A 475 -4.350 4.248 8.010 1.00 0.00 H new ATOM 0 HG3 LYS A 475 -3.692 2.635 7.822 1.00 0.00 H new ATOM 0 HD2 LYS A 475 -1.783 3.378 6.802 1.00 0.00 H new ATOM 0 HD3 LYS A 475 -2.617 4.632 5.907 1.00 0.00 H new ATOM 0 HE2 LYS A 475 -1.773 6.127 7.364 1.00 0.00 H new ATOM 0 HE3 LYS A 475 -2.846 5.459 8.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 475 -0.891 5.123 9.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 475 -0.881 3.689 8.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 475 0.015 5.032 8.193 1.00 0.00 H new ATOM 751 N LYS A 476 -6.974 1.830 4.314 1.00 0.00 N ATOM 752 CA LYS A 476 -8.368 1.729 3.903 1.00 0.00 C ATOM 753 C LYS A 476 -8.784 0.274 3.695 1.00 0.00 C ATOM 754 O LYS A 476 -9.866 -0.133 4.119 1.00 0.00 O ATOM 755 CB LYS A 476 -8.633 2.547 2.635 1.00 0.00 C ATOM 756 CG LYS A 476 -7.533 2.448 1.594 1.00 0.00 C ATOM 757 CD LYS A 476 -8.073 1.983 0.254 1.00 0.00 C ATOM 758 CE LYS A 476 -7.138 0.976 -0.385 1.00 0.00 C ATOM 759 NZ LYS A 476 -5.998 1.642 -1.070 1.00 0.00 N ATOM 0 H LYS A 476 -6.312 1.953 3.547 1.00 0.00 H new ATOM 0 HA LYS A 476 -8.973 2.142 4.710 1.00 0.00 H new ATOM 0 HB2 LYS A 476 -9.571 2.214 2.190 1.00 0.00 H new ATOM 0 HB3 LYS A 476 -8.765 3.593 2.911 1.00 0.00 H new ATOM 0 HG2 LYS A 476 -7.054 3.420 1.476 1.00 0.00 H new ATOM 0 HG3 LYS A 476 -6.766 1.754 1.939 1.00 0.00 H new ATOM 0 HD2 LYS A 476 -9.058 1.536 0.389 1.00 0.00 H new ATOM 0 HD3 LYS A 476 -8.200 2.839 -0.409 1.00 0.00 H new ATOM 0 HE2 LYS A 476 -6.758 0.297 0.378 1.00 0.00 H new ATOM 0 HE3 LYS A 476 -7.691 0.371 -1.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 476 -5.776 1.133 -1.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 476 -6.254 2.625 -1.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 476 -5.166 1.635 -0.446 1.00 0.00 H new ATOM 773 N PHE A 477 -7.923 -0.513 3.051 1.00 0.00 N ATOM 774 CA PHE A 477 -8.210 -1.917 2.804 1.00 0.00 C ATOM 775 C PHE A 477 -8.390 -2.696 4.107 1.00 0.00 C ATOM 776 O PHE A 477 -8.849 -3.837 4.094 1.00 0.00 O ATOM 777 CB PHE A 477 -7.076 -2.534 1.997 1.00 0.00 C ATOM 778 CG PHE A 477 -7.240 -2.377 0.517 1.00 0.00 C ATOM 779 CD1 PHE A 477 -8.459 -2.625 -0.091 1.00 0.00 C ATOM 780 CD2 PHE A 477 -6.173 -1.981 -0.264 1.00 0.00 C ATOM 781 CE1 PHE A 477 -8.607 -2.477 -1.456 1.00 0.00 C ATOM 782 CE2 PHE A 477 -6.313 -1.833 -1.626 1.00 0.00 C ATOM 783 CZ PHE A 477 -7.532 -2.080 -2.226 1.00 0.00 C ATOM 0 H PHE A 477 -7.022 -0.198 2.692 1.00 0.00 H new ATOM 0 HA PHE A 477 -9.145 -1.974 2.246 1.00 0.00 H new ATOM 0 HB2 PHE A 477 -6.134 -2.077 2.300 1.00 0.00 H new ATOM 0 HB3 PHE A 477 -7.006 -3.595 2.236 1.00 0.00 H new ATOM 0 HD1 PHE A 477 -9.302 -2.937 0.508 1.00 0.00 H new ATOM 0 HD2 PHE A 477 -5.217 -1.785 0.199 1.00 0.00 H new ATOM 0 HE1 PHE A 477 -9.562 -2.672 -1.921 1.00 0.00 H new ATOM 0 HE2 PHE A 477 -5.469 -1.524 -2.225 1.00 0.00 H new ATOM 0 HZ PHE A 477 -7.644 -1.963 -3.294 1.00 0.00 H new ATOM 889 N LEU A 484 -10.579 -7.745 6.343 1.00 0.00 N ATOM 890 CA LEU A 484 -9.229 -8.269 6.439 1.00 0.00 C ATOM 891 C LEU A 484 -8.427 -7.525 7.500 1.00 0.00 C ATOM 892 O LEU A 484 -8.288 -6.303 7.445 1.00 0.00 O ATOM 893 CB LEU A 484 -8.524 -8.185 5.082 1.00 0.00 C ATOM 894 CG LEU A 484 -8.350 -9.524 4.363 1.00 0.00 C ATOM 895 CD1 LEU A 484 -8.315 -9.322 2.857 1.00 0.00 C ATOM 896 CD2 LEU A 484 -7.085 -10.221 4.839 1.00 0.00 C ATOM 0 HA LEU A 484 -9.294 -9.316 6.735 1.00 0.00 H new ATOM 0 HB2 LEU A 484 -9.089 -7.513 4.436 1.00 0.00 H new ATOM 0 HB3 LEU A 484 -7.541 -7.736 5.227 1.00 0.00 H new ATOM 0 HG LEU A 484 -9.204 -10.158 4.602 1.00 0.00 H new ATOM 0 HD11 LEU A 484 -8.191 -10.286 2.363 1.00 0.00 H new ATOM 0 HD12 LEU A 484 -9.248 -8.864 2.529 1.00 0.00 H new ATOM 0 HD13 LEU A 484 -7.481 -8.671 2.597 1.00 0.00 H new ATOM 0 HD21 LEU A 484 -6.976 -11.172 4.318 1.00 0.00 H new ATOM 0 HD22 LEU A 484 -6.221 -9.591 4.629 1.00 0.00 H new ATOM 0 HD23 LEU A 484 -7.150 -10.401 5.912 1.00 0.00 H new ATOM 908 N SER A 485 -7.907 -8.278 8.464 1.00 0.00 N ATOM 909 CA SER A 485 -7.113 -7.715 9.556 1.00 0.00 C ATOM 910 C SER A 485 -6.169 -6.620 9.068 1.00 0.00 C ATOM 911 O SER A 485 -5.711 -6.645 7.926 1.00 0.00 O ATOM 912 CB SER A 485 -6.300 -8.815 10.231 1.00 0.00 C ATOM 913 OG SER A 485 -6.571 -8.873 11.621 1.00 0.00 O ATOM 0 H SER A 485 -8.022 -9.290 8.513 1.00 0.00 H new ATOM 0 HA SER A 485 -7.808 -7.271 10.268 1.00 0.00 H new ATOM 0 HB2 SER A 485 -6.532 -9.776 9.772 1.00 0.00 H new ATOM 0 HB3 SER A 485 -5.237 -8.635 10.072 1.00 0.00 H new ATOM 0 HG SER A 485 -6.038 -9.587 12.029 1.00 0.00 H new ATOM 919 N SER A 486 -5.870 -5.671 9.948 1.00 0.00 N ATOM 920 CA SER A 486 -4.967 -4.579 9.611 1.00 0.00 C ATOM 921 C SER A 486 -3.585 -5.121 9.264 1.00 0.00 C ATOM 922 O SER A 486 -2.810 -4.473 8.563 1.00 0.00 O ATOM 923 CB SER A 486 -4.867 -3.590 10.773 1.00 0.00 C ATOM 924 OG SER A 486 -4.339 -2.348 10.342 1.00 0.00 O ATOM 0 H SER A 486 -6.239 -5.636 10.898 1.00 0.00 H new ATOM 0 HA SER A 486 -5.368 -4.057 8.742 1.00 0.00 H new ATOM 0 HB2 SER A 486 -5.854 -3.437 11.210 1.00 0.00 H new ATOM 0 HB3 SER A 486 -4.233 -4.006 11.555 1.00 0.00 H new ATOM 0 HG SER A 486 -4.287 -1.733 11.103 1.00 0.00 H new ATOM 930 N GLU A 487 -3.288 -6.320 9.761 1.00 0.00 N ATOM 931 CA GLU A 487 -2.010 -6.964 9.508 1.00 0.00 C ATOM 932 C GLU A 487 -2.087 -7.835 8.265 1.00 0.00 C ATOM 933 O GLU A 487 -1.231 -7.762 7.382 1.00 0.00 O ATOM 934 CB GLU A 487 -1.585 -7.809 10.713 1.00 0.00 C ATOM 935 CG GLU A 487 -1.986 -7.212 12.054 1.00 0.00 C ATOM 936 CD GLU A 487 -1.296 -7.886 13.222 1.00 0.00 C ATOM 937 OE1 GLU A 487 -1.343 -9.131 13.302 1.00 0.00 O ATOM 938 OE2 GLU A 487 -0.706 -7.168 14.057 1.00 0.00 O ATOM 0 H GLU A 487 -3.923 -6.865 10.345 1.00 0.00 H new ATOM 0 HA GLU A 487 -1.265 -6.186 9.345 1.00 0.00 H new ATOM 0 HB2 GLU A 487 -2.025 -8.802 10.622 1.00 0.00 H new ATOM 0 HB3 GLU A 487 -0.503 -7.937 10.692 1.00 0.00 H new ATOM 0 HG2 GLU A 487 -1.747 -6.149 12.060 1.00 0.00 H new ATOM 0 HG3 GLU A 487 -3.066 -7.297 12.177 1.00 0.00 H new ATOM 945 N GLN A 488 -3.126 -8.651 8.207 1.00 0.00 N ATOM 946 CA GLN A 488 -3.342 -9.541 7.074 1.00 0.00 C ATOM 947 C GLN A 488 -3.499 -8.734 5.792 1.00 0.00 C ATOM 948 O GLN A 488 -2.906 -9.062 4.765 1.00 0.00 O ATOM 949 CB GLN A 488 -4.581 -10.410 7.303 1.00 0.00 C ATOM 950 CG GLN A 488 -4.333 -11.893 7.084 1.00 0.00 C ATOM 951 CD GLN A 488 -4.833 -12.745 8.234 1.00 0.00 C ATOM 952 OE1 GLN A 488 -4.047 -13.359 8.955 1.00 0.00 O ATOM 953 NE2 GLN A 488 -6.149 -12.787 8.412 1.00 0.00 N ATOM 0 H GLN A 488 -3.838 -8.717 8.935 1.00 0.00 H new ATOM 0 HA GLN A 488 -2.473 -10.192 6.977 1.00 0.00 H new ATOM 0 HB2 GLN A 488 -4.939 -10.257 8.321 1.00 0.00 H new ATOM 0 HB3 GLN A 488 -5.375 -10.080 6.633 1.00 0.00 H new ATOM 0 HG2 GLN A 488 -4.825 -12.208 6.163 1.00 0.00 H new ATOM 0 HG3 GLN A 488 -3.265 -12.063 6.949 1.00 0.00 H new ATOM 0 HE21 GLN A 488 -6.765 -12.262 7.791 1.00 0.00 H new ATOM 0 HE22 GLN A 488 -6.544 -13.344 9.170 1.00 0.00 H new ATOM 962 N THR A 489 -4.296 -7.669 5.863 1.00 0.00 N ATOM 963 CA THR A 489 -4.519 -6.805 4.709 1.00 0.00 C ATOM 964 C THR A 489 -3.188 -6.413 4.083 1.00 0.00 C ATOM 965 O THR A 489 -3.071 -6.292 2.865 1.00 0.00 O ATOM 966 CB THR A 489 -5.290 -5.548 5.120 1.00 0.00 C ATOM 967 OG1 THR A 489 -6.526 -5.889 5.719 1.00 0.00 O ATOM 968 CG2 THR A 489 -5.582 -4.623 3.960 1.00 0.00 C ATOM 0 H THR A 489 -4.796 -7.386 6.706 1.00 0.00 H new ATOM 0 HA THR A 489 -5.110 -7.354 3.977 1.00 0.00 H new ATOM 0 HB THR A 489 -4.641 -5.029 5.826 1.00 0.00 H new ATOM 0 HG1 THR A 489 -6.435 -5.863 6.694 1.00 0.00 H new ATOM 0 HG21 THR A 489 -6.130 -3.752 4.318 1.00 0.00 H new ATOM 0 HG22 THR A 489 -4.645 -4.301 3.507 1.00 0.00 H new ATOM 0 HG23 THR A 489 -6.182 -5.149 3.217 1.00 0.00 H new ATOM 976 N VAL A 490 -2.185 -6.232 4.934 1.00 0.00 N ATOM 977 CA VAL A 490 -0.847 -5.868 4.475 1.00 0.00 C ATOM 978 C VAL A 490 -0.154 -7.079 3.876 1.00 0.00 C ATOM 979 O VAL A 490 0.461 -7.000 2.814 1.00 0.00 O ATOM 980 CB VAL A 490 0.017 -5.318 5.624 1.00 0.00 C ATOM 981 CG1 VAL A 490 1.144 -4.448 5.085 1.00 0.00 C ATOM 982 CG2 VAL A 490 -0.841 -4.545 6.610 1.00 0.00 C ATOM 0 H VAL A 490 -2.271 -6.331 5.946 1.00 0.00 H new ATOM 0 HA VAL A 490 -0.962 -5.089 3.722 1.00 0.00 H new ATOM 0 HB VAL A 490 0.467 -6.160 6.150 1.00 0.00 H new ATOM 0 HG11 VAL A 490 1.741 -4.071 5.915 1.00 0.00 H new ATOM 0 HG12 VAL A 490 1.776 -5.040 4.423 1.00 0.00 H new ATOM 0 HG13 VAL A 490 0.723 -3.610 4.530 1.00 0.00 H new ATOM 0 HG21 VAL A 490 -0.215 -4.163 7.416 1.00 0.00 H new ATOM 0 HG22 VAL A 490 -1.322 -3.711 6.098 1.00 0.00 H new ATOM 0 HG23 VAL A 490 -1.603 -5.205 7.024 1.00 0.00 H new ATOM 992 N ASN A 491 -0.280 -8.206 4.565 1.00 0.00 N ATOM 993 CA ASN A 491 0.309 -9.456 4.113 1.00 0.00 C ATOM 994 C ASN A 491 -0.186 -9.791 2.704 1.00 0.00 C ATOM 995 O ASN A 491 0.491 -10.479 1.940 1.00 0.00 O ATOM 996 CB ASN A 491 -0.044 -10.569 5.108 1.00 0.00 C ATOM 997 CG ASN A 491 -0.244 -11.927 4.457 1.00 0.00 C ATOM 998 OD1 ASN A 491 0.694 -12.521 3.926 1.00 0.00 O ATOM 999 ND2 ASN A 491 -1.477 -12.420 4.496 1.00 0.00 N ATOM 0 H ASN A 491 -0.789 -8.278 5.446 1.00 0.00 H new ATOM 0 HA ASN A 491 1.394 -9.360 4.069 1.00 0.00 H new ATOM 0 HB2 ASN A 491 0.750 -10.645 5.851 1.00 0.00 H new ATOM 0 HB3 ASN A 491 -0.954 -10.293 5.641 1.00 0.00 H new ATOM 0 HD21 ASN A 491 -1.677 -13.327 4.075 1.00 0.00 H new ATOM 0 HD22 ASN A 491 -2.224 -11.892 4.947 1.00 0.00 H new ATOM 1006 N VAL A 492 -1.371 -9.286 2.373 1.00 0.00 N ATOM 1007 CA VAL A 492 -1.968 -9.510 1.063 1.00 0.00 C ATOM 1008 C VAL A 492 -1.808 -8.282 0.169 1.00 0.00 C ATOM 1009 O VAL A 492 -1.992 -8.360 -1.042 1.00 0.00 O ATOM 1010 CB VAL A 492 -3.465 -9.854 1.185 1.00 0.00 C ATOM 1011 CG1 VAL A 492 -4.222 -8.718 1.859 1.00 0.00 C ATOM 1012 CG2 VAL A 492 -4.061 -10.164 -0.180 1.00 0.00 C ATOM 0 H VAL A 492 -1.939 -8.715 3.000 1.00 0.00 H new ATOM 0 HA VAL A 492 -1.444 -10.353 0.612 1.00 0.00 H new ATOM 0 HB VAL A 492 -3.561 -10.745 1.806 1.00 0.00 H new ATOM 0 HG11 VAL A 492 -5.277 -8.979 1.936 1.00 0.00 H new ATOM 0 HG12 VAL A 492 -3.816 -8.551 2.857 1.00 0.00 H new ATOM 0 HG13 VAL A 492 -4.116 -7.809 1.267 1.00 0.00 H new ATOM 0 HG21 VAL A 492 -5.118 -10.404 -0.069 1.00 0.00 H new ATOM 0 HG22 VAL A 492 -3.952 -9.296 -0.830 1.00 0.00 H new ATOM 0 HG23 VAL A 492 -3.540 -11.014 -0.620 1.00 0.00 H new ATOM 1022 N LEU A 493 -1.469 -7.147 0.772 1.00 0.00 N ATOM 1023 CA LEU A 493 -1.288 -5.916 0.024 1.00 0.00 C ATOM 1024 C LEU A 493 0.152 -5.782 -0.459 1.00 0.00 C ATOM 1025 O LEU A 493 0.407 -5.388 -1.597 1.00 0.00 O ATOM 1026 CB LEU A 493 -1.662 -4.700 0.882 1.00 0.00 C ATOM 1027 CG LEU A 493 -1.691 -3.355 0.143 1.00 0.00 C ATOM 1028 CD1 LEU A 493 -2.082 -3.533 -1.319 1.00 0.00 C ATOM 1029 CD2 LEU A 493 -2.645 -2.387 0.828 1.00 0.00 C ATOM 0 H LEU A 493 -1.315 -7.058 1.776 1.00 0.00 H new ATOM 0 HA LEU A 493 -1.947 -5.953 -0.843 1.00 0.00 H new ATOM 0 HB2 LEU A 493 -2.644 -4.875 1.321 1.00 0.00 H new ATOM 0 HB3 LEU A 493 -0.953 -4.627 1.706 1.00 0.00 H new ATOM 0 HG LEU A 493 -0.684 -2.939 0.175 1.00 0.00 H new ATOM 0 HD11 LEU A 493 -2.093 -2.562 -1.814 1.00 0.00 H new ATOM 0 HD12 LEU A 493 -1.359 -4.183 -1.812 1.00 0.00 H new ATOM 0 HD13 LEU A 493 -3.074 -3.982 -1.378 1.00 0.00 H new ATOM 0 HD21 LEU A 493 -2.651 -1.440 0.289 1.00 0.00 H new ATOM 0 HD22 LEU A 493 -3.650 -2.809 0.832 1.00 0.00 H new ATOM 0 HD23 LEU A 493 -2.318 -2.219 1.854 1.00 0.00 H new ATOM 1041 N ALA A 494 1.094 -6.114 0.418 1.00 0.00 N ATOM 1042 CA ALA A 494 2.512 -6.031 0.092 1.00 0.00 C ATOM 1043 C ALA A 494 2.830 -6.748 -1.212 1.00 0.00 C ATOM 1044 O ALA A 494 3.674 -6.301 -1.985 1.00 0.00 O ATOM 1045 CB ALA A 494 3.345 -6.618 1.220 1.00 0.00 C ATOM 0 H ALA A 494 0.899 -6.444 1.363 1.00 0.00 H new ATOM 0 HA ALA A 494 2.761 -4.977 -0.033 1.00 0.00 H new ATOM 0 HB1 ALA A 494 4.403 -6.550 0.965 1.00 0.00 H new ATOM 0 HB2 ALA A 494 3.157 -6.062 2.138 1.00 0.00 H new ATOM 0 HB3 ALA A 494 3.073 -7.663 1.367 1.00 0.00 H new ATOM 1051 N GLN A 495 2.155 -7.867 -1.441 1.00 0.00 N ATOM 1052 CA GLN A 495 2.366 -8.658 -2.641 1.00 0.00 C ATOM 1053 C GLN A 495 1.964 -7.892 -3.899 1.00 0.00 C ATOM 1054 O GLN A 495 2.606 -8.011 -4.943 1.00 0.00 O ATOM 1055 CB GLN A 495 1.578 -9.961 -2.544 1.00 0.00 C ATOM 1056 CG GLN A 495 0.227 -9.810 -1.888 1.00 0.00 C ATOM 1057 CD GLN A 495 -0.887 -10.464 -2.680 1.00 0.00 C ATOM 1058 OE1 GLN A 495 -1.823 -9.655 -3.156 1.00 0.00 O flip ATOM 1059 NE2 GLN A 495 -0.906 -11.682 -2.862 1.00 0.00 N flip ATOM 0 H GLN A 495 1.453 -8.247 -0.806 1.00 0.00 H new ATOM 0 HA GLN A 495 3.431 -8.879 -2.717 1.00 0.00 H new ATOM 0 HB2 GLN A 495 1.441 -10.367 -3.546 1.00 0.00 H new ATOM 0 HB3 GLN A 495 2.165 -10.688 -1.983 1.00 0.00 H new ATOM 0 HG2 GLN A 495 0.262 -10.247 -0.890 1.00 0.00 H new ATOM 0 HG3 GLN A 495 0.005 -8.750 -1.764 1.00 0.00 H new ATOM 0 HE21 GLN A 495 -0.164 -12.267 -2.477 1.00 0.00 H new ATOM 0 HE22 GLN A 495 -1.663 -12.106 -3.398 1.00 0.00 H new ATOM 1068 N ILE A 496 0.889 -7.127 -3.801 1.00 0.00 N ATOM 1069 CA ILE A 496 0.386 -6.359 -4.931 1.00 0.00 C ATOM 1070 C ILE A 496 1.185 -5.072 -5.173 1.00 0.00 C ATOM 1071 O ILE A 496 1.463 -4.717 -6.319 1.00 0.00 O ATOM 1072 CB ILE A 496 -1.102 -5.998 -4.732 1.00 0.00 C ATOM 1073 CG1 ILE A 496 -1.987 -7.207 -5.025 1.00 0.00 C ATOM 1074 CG2 ILE A 496 -1.499 -4.831 -5.619 1.00 0.00 C ATOM 1075 CD1 ILE A 496 -3.243 -7.255 -4.183 1.00 0.00 C ATOM 0 H ILE A 496 0.344 -7.020 -2.945 1.00 0.00 H new ATOM 0 HA ILE A 496 0.500 -6.998 -5.807 1.00 0.00 H new ATOM 0 HB ILE A 496 -1.243 -5.702 -3.692 1.00 0.00 H new ATOM 0 HG12 ILE A 496 -2.266 -7.196 -6.079 1.00 0.00 H new ATOM 0 HG13 ILE A 496 -1.412 -8.117 -4.857 1.00 0.00 H new ATOM 0 HG21 ILE A 496 -2.551 -4.595 -5.461 1.00 0.00 H new ATOM 0 HG22 ILE A 496 -0.891 -3.961 -5.370 1.00 0.00 H new ATOM 0 HG23 ILE A 496 -1.340 -5.098 -6.664 1.00 0.00 H new ATOM 0 HD11 ILE A 496 -3.823 -8.140 -4.445 1.00 0.00 H new ATOM 0 HD12 ILE A 496 -2.972 -7.298 -3.128 1.00 0.00 H new ATOM 0 HD13 ILE A 496 -3.840 -6.362 -4.369 1.00 0.00 H new ATOM 1087 N LEU A 497 1.522 -4.363 -4.099 1.00 0.00 N ATOM 1088 CA LEU A 497 2.252 -3.103 -4.196 1.00 0.00 C ATOM 1089 C LEU A 497 3.381 -3.153 -5.232 1.00 0.00 C ATOM 1090 O LEU A 497 3.491 -2.266 -6.077 1.00 0.00 O ATOM 1091 CB LEU A 497 2.810 -2.724 -2.824 1.00 0.00 C ATOM 1092 CG LEU A 497 1.969 -1.719 -2.030 1.00 0.00 C ATOM 1093 CD1 LEU A 497 1.835 -0.397 -2.774 1.00 0.00 C ATOM 1094 CD2 LEU A 497 0.599 -2.299 -1.737 1.00 0.00 C ATOM 0 H LEU A 497 1.299 -4.643 -3.144 1.00 0.00 H new ATOM 0 HA LEU A 497 1.547 -2.343 -4.534 1.00 0.00 H new ATOM 0 HB2 LEU A 497 2.918 -3.632 -2.230 1.00 0.00 H new ATOM 0 HB3 LEU A 497 3.810 -2.311 -2.958 1.00 0.00 H new ATOM 0 HG LEU A 497 2.481 -1.522 -1.088 1.00 0.00 H new ATOM 0 HD11 LEU A 497 1.233 0.293 -2.183 1.00 0.00 H new ATOM 0 HD12 LEU A 497 2.824 0.031 -2.936 1.00 0.00 H new ATOM 0 HD13 LEU A 497 1.352 -0.568 -3.736 1.00 0.00 H new ATOM 0 HD21 LEU A 497 0.011 -1.576 -1.172 1.00 0.00 H new ATOM 0 HD22 LEU A 497 0.092 -2.526 -2.675 1.00 0.00 H new ATOM 0 HD23 LEU A 497 0.708 -3.213 -1.153 1.00 0.00 H new ATOM 1106 N LYS A 498 4.228 -4.174 -5.155 1.00 0.00 N ATOM 1107 CA LYS A 498 5.348 -4.298 -6.088 1.00 0.00 C ATOM 1108 C LYS A 498 4.867 -4.421 -7.528 1.00 0.00 C ATOM 1109 O LYS A 498 5.582 -4.064 -8.465 1.00 0.00 O ATOM 1110 CB LYS A 498 6.233 -5.491 -5.731 1.00 0.00 C ATOM 1111 CG LYS A 498 5.491 -6.816 -5.691 1.00 0.00 C ATOM 1112 CD LYS A 498 5.100 -7.198 -4.274 1.00 0.00 C ATOM 1113 CE LYS A 498 6.300 -7.171 -3.328 1.00 0.00 C ATOM 1114 NZ LYS A 498 6.433 -8.446 -2.572 1.00 0.00 N ATOM 0 H LYS A 498 4.164 -4.922 -4.464 1.00 0.00 H new ATOM 0 HA LYS A 498 5.938 -3.385 -6.001 1.00 0.00 H new ATOM 0 HB2 LYS A 498 7.043 -5.561 -6.457 1.00 0.00 H new ATOM 0 HB3 LYS A 498 6.692 -5.313 -4.758 1.00 0.00 H new ATOM 0 HG2 LYS A 498 4.596 -6.751 -6.310 1.00 0.00 H new ATOM 0 HG3 LYS A 498 6.119 -7.598 -6.119 1.00 0.00 H new ATOM 0 HD2 LYS A 498 4.335 -6.512 -3.910 1.00 0.00 H new ATOM 0 HD3 LYS A 498 4.660 -8.195 -4.275 1.00 0.00 H new ATOM 0 HE2 LYS A 498 7.210 -6.990 -3.900 1.00 0.00 H new ATOM 0 HE3 LYS A 498 6.193 -6.342 -2.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 498 7.365 -8.481 -2.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 498 5.688 -8.500 -1.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 498 6.339 -9.249 -3.226 1.00 0.00 H new ATOM 1128 N ARG A 499 3.650 -4.916 -7.700 1.00 0.00 N ATOM 1129 CA ARG A 499 3.071 -5.073 -9.029 1.00 0.00 C ATOM 1130 C ARG A 499 2.886 -3.714 -9.694 1.00 0.00 C ATOM 1131 O ARG A 499 2.736 -3.620 -10.913 1.00 0.00 O ATOM 1132 CB ARG A 499 1.724 -5.792 -8.946 1.00 0.00 C ATOM 1133 CG ARG A 499 1.739 -7.003 -8.032 1.00 0.00 C ATOM 1134 CD ARG A 499 2.212 -8.245 -8.766 1.00 0.00 C ATOM 1135 NE ARG A 499 3.639 -8.491 -8.571 1.00 0.00 N ATOM 1136 CZ ARG A 499 4.141 -9.220 -7.575 1.00 0.00 C ATOM 1137 NH1 ARG A 499 3.339 -9.774 -6.674 1.00 0.00 N ATOM 1138 NH2 ARG A 499 5.453 -9.396 -7.481 1.00 0.00 N ATOM 0 H ARG A 499 3.043 -5.216 -6.937 1.00 0.00 H new ATOM 0 HA ARG A 499 3.756 -5.672 -9.629 1.00 0.00 H new ATOM 0 HB2 ARG A 499 0.968 -5.090 -8.594 1.00 0.00 H new ATOM 0 HB3 ARG A 499 1.426 -6.106 -9.947 1.00 0.00 H new ATOM 0 HG2 ARG A 499 2.392 -6.810 -7.181 1.00 0.00 H new ATOM 0 HG3 ARG A 499 0.739 -7.173 -7.634 1.00 0.00 H new ATOM 0 HD2 ARG A 499 1.645 -9.109 -8.418 1.00 0.00 H new ATOM 0 HD3 ARG A 499 2.006 -8.136 -9.831 1.00 0.00 H new ATOM 0 HE ARG A 499 4.291 -8.079 -9.239 1.00 0.00 H new ATOM 0 HH11 ARG A 499 2.330 -9.643 -6.741 1.00 0.00 H new ATOM 0 HH12 ARG A 499 3.732 -10.330 -5.915 1.00 0.00 H new ATOM 0 HH21 ARG A 499 6.075 -8.974 -8.170 1.00 0.00 H new ATOM 0 HH22 ARG A 499 5.839 -9.954 -6.719 1.00 0.00 H new ATOM 1152 N LEU A 500 2.886 -2.668 -8.878 1.00 0.00 N ATOM 1153 CA LEU A 500 2.707 -1.311 -9.365 1.00 0.00 C ATOM 1154 C LEU A 500 3.819 -0.900 -10.313 1.00 0.00 C ATOM 1155 O LEU A 500 3.569 -0.339 -11.379 1.00 0.00 O ATOM 1156 CB LEU A 500 2.663 -0.347 -8.183 1.00 0.00 C ATOM 1157 CG LEU A 500 1.552 -0.623 -7.173 1.00 0.00 C ATOM 1158 CD1 LEU A 500 1.740 0.231 -5.928 1.00 0.00 C ATOM 1159 CD2 LEU A 500 0.192 -0.375 -7.805 1.00 0.00 C ATOM 0 H LEU A 500 3.009 -2.737 -7.868 1.00 0.00 H new ATOM 0 HA LEU A 500 1.767 -1.275 -9.916 1.00 0.00 H new ATOM 0 HB2 LEU A 500 3.622 -0.384 -7.666 1.00 0.00 H new ATOM 0 HB3 LEU A 500 2.545 0.667 -8.564 1.00 0.00 H new ATOM 0 HG LEU A 500 1.602 -1.670 -6.873 1.00 0.00 H new ATOM 0 HD11 LEU A 500 0.939 0.021 -5.219 1.00 0.00 H new ATOM 0 HD12 LEU A 500 2.701 -0.001 -5.469 1.00 0.00 H new ATOM 0 HD13 LEU A 500 1.714 1.285 -6.203 1.00 0.00 H new ATOM 0 HD21 LEU A 500 -0.591 -0.576 -7.074 1.00 0.00 H new ATOM 0 HD22 LEU A 500 0.126 0.663 -8.131 1.00 0.00 H new ATOM 0 HD23 LEU A 500 0.064 -1.034 -8.664 1.00 0.00 H new ATOM 1171 N ASN A 501 5.047 -1.162 -9.904 1.00 0.00 N ATOM 1172 CA ASN A 501 6.207 -0.799 -10.700 1.00 0.00 C ATOM 1173 C ASN A 501 6.153 0.692 -11.021 1.00 0.00 C ATOM 1174 O ASN A 501 6.154 1.095 -12.184 1.00 0.00 O ATOM 1175 CB ASN A 501 6.243 -1.632 -11.983 1.00 0.00 C ATOM 1176 CG ASN A 501 7.365 -1.234 -12.915 1.00 0.00 C ATOM 1177 OD1 ASN A 501 7.187 -0.406 -13.809 1.00 0.00 O ATOM 1178 ND2 ASN A 501 8.530 -1.832 -12.713 1.00 0.00 N ATOM 0 H ASN A 501 5.268 -1.626 -9.023 1.00 0.00 H new ATOM 0 HA ASN A 501 7.117 -1.004 -10.137 1.00 0.00 H new ATOM 0 HB2 ASN A 501 6.351 -2.685 -11.723 1.00 0.00 H new ATOM 0 HB3 ASN A 501 5.291 -1.528 -12.504 1.00 0.00 H new ATOM 0 HD21 ASN A 501 9.326 -1.612 -13.311 1.00 0.00 H new ATOM 0 HD22 ASN A 501 8.630 -2.512 -11.959 1.00 0.00 H new ATOM 1185 N PRO A 502 6.087 1.535 -9.975 1.00 0.00 N ATOM 1186 CA PRO A 502 6.014 2.971 -10.100 1.00 0.00 C ATOM 1187 C PRO A 502 7.355 3.627 -9.822 1.00 0.00 C ATOM 1188 O PRO A 502 8.400 2.978 -9.878 1.00 0.00 O ATOM 1189 CB PRO A 502 5.015 3.312 -8.992 1.00 0.00 C ATOM 1190 CG PRO A 502 5.237 2.270 -7.931 1.00 0.00 C ATOM 1191 CD PRO A 502 6.069 1.170 -8.555 1.00 0.00 C ATOM 0 HA PRO A 502 5.732 3.312 -11.096 1.00 0.00 H new ATOM 0 HB2 PRO A 502 5.186 4.315 -8.602 1.00 0.00 H new ATOM 0 HB3 PRO A 502 3.990 3.285 -9.363 1.00 0.00 H new ATOM 0 HG2 PRO A 502 5.750 2.700 -7.070 1.00 0.00 H new ATOM 0 HG3 PRO A 502 4.286 1.877 -7.572 1.00 0.00 H new ATOM 0 HD2 PRO A 502 7.074 1.136 -8.134 1.00 0.00 H new ATOM 0 HD3 PRO A 502 5.624 0.188 -8.396 1.00 0.00 H new ATOM 1199 N GLU A 503 7.317 4.907 -9.503 1.00 0.00 N ATOM 1200 CA GLU A 503 8.515 5.648 -9.192 1.00 0.00 C ATOM 1201 C GLU A 503 8.423 6.199 -7.778 1.00 0.00 C ATOM 1202 O GLU A 503 7.356 6.631 -7.341 1.00 0.00 O ATOM 1203 CB GLU A 503 8.717 6.771 -10.200 1.00 0.00 C ATOM 1204 CG GLU A 503 9.843 6.497 -11.182 1.00 0.00 C ATOM 1205 CD GLU A 503 11.068 7.352 -10.918 1.00 0.00 C ATOM 1206 OE1 GLU A 503 10.901 8.511 -10.484 1.00 0.00 O ATOM 1207 OE2 GLU A 503 12.194 6.862 -11.146 1.00 0.00 O ATOM 0 H GLU A 503 6.458 5.455 -9.454 1.00 0.00 H new ATOM 0 HA GLU A 503 9.376 4.982 -9.251 1.00 0.00 H new ATOM 0 HB2 GLU A 503 7.791 6.925 -10.753 1.00 0.00 H new ATOM 0 HB3 GLU A 503 8.927 7.697 -9.665 1.00 0.00 H new ATOM 0 HG2 GLU A 503 10.120 5.444 -11.127 1.00 0.00 H new ATOM 0 HG3 GLU A 503 9.488 6.680 -12.196 1.00 0.00 H new ATOM 1214 N ARG A 504 9.531 6.165 -7.055 1.00 0.00 N ATOM 1215 CA ARG A 504 9.542 6.646 -5.684 1.00 0.00 C ATOM 1216 C ARG A 504 9.629 8.164 -5.628 1.00 0.00 C ATOM 1217 O ARG A 504 10.423 8.787 -6.335 1.00 0.00 O ATOM 1218 CB ARG A 504 10.696 6.022 -4.906 1.00 0.00 C ATOM 1219 CG ARG A 504 12.068 6.440 -5.406 1.00 0.00 C ATOM 1220 CD ARG A 504 13.169 5.609 -4.768 1.00 0.00 C ATOM 1221 NE ARG A 504 14.495 6.168 -5.025 1.00 0.00 N ATOM 1222 CZ ARG A 504 14.949 7.289 -4.468 1.00 0.00 C ATOM 1223 NH1 ARG A 504 14.187 7.972 -3.622 1.00 0.00 N ATOM 1224 NH2 ARG A 504 16.166 7.726 -4.756 1.00 0.00 N ATOM 0 H ARG A 504 10.427 5.812 -7.391 1.00 0.00 H new ATOM 0 HA ARG A 504 8.602 6.346 -5.221 1.00 0.00 H new ATOM 0 HB2 ARG A 504 10.604 6.296 -3.855 1.00 0.00 H new ATOM 0 HB3 ARG A 504 10.614 4.936 -4.961 1.00 0.00 H new ATOM 0 HG2 ARG A 504 12.110 6.332 -6.490 1.00 0.00 H new ATOM 0 HG3 ARG A 504 12.232 7.495 -5.184 1.00 0.00 H new ATOM 0 HD2 ARG A 504 13.002 5.551 -3.692 1.00 0.00 H new ATOM 0 HD3 ARG A 504 13.124 4.590 -5.153 1.00 0.00 H new ATOM 0 HE ARG A 504 15.109 5.670 -5.669 1.00 0.00 H new ATOM 0 HH11 ARG A 504 13.250 7.638 -3.396 1.00 0.00 H new ATOM 0 HH12 ARG A 504 14.539 8.830 -3.198 1.00 0.00 H new ATOM 0 HH21 ARG A 504 16.755 7.204 -5.404 1.00 0.00 H new ATOM 0 HH22 ARG A 504 16.514 8.585 -4.329 1.00 0.00 H new ATOM 1238 N LYS A 505 8.796 8.744 -4.776 1.00 0.00 N ATOM 1239 CA LYS A 505 8.743 10.189 -4.593 1.00 0.00 C ATOM 1240 C LYS A 505 8.181 10.513 -3.216 1.00 0.00 C ATOM 1241 O LYS A 505 7.530 9.676 -2.596 1.00 0.00 O ATOM 1242 CB LYS A 505 7.876 10.845 -5.673 1.00 0.00 C ATOM 1243 CG LYS A 505 7.991 10.190 -7.040 1.00 0.00 C ATOM 1244 CD LYS A 505 7.052 10.833 -8.047 1.00 0.00 C ATOM 1245 CE LYS A 505 5.606 10.445 -7.788 1.00 0.00 C ATOM 1246 NZ LYS A 505 4.654 11.324 -8.522 1.00 0.00 N ATOM 0 H LYS A 505 8.138 8.228 -4.192 1.00 0.00 H new ATOM 0 HA LYS A 505 9.755 10.584 -4.677 1.00 0.00 H new ATOM 0 HB2 LYS A 505 6.834 10.817 -5.355 1.00 0.00 H new ATOM 0 HB3 LYS A 505 8.155 11.895 -5.760 1.00 0.00 H new ATOM 0 HG2 LYS A 505 9.018 10.269 -7.397 1.00 0.00 H new ATOM 0 HG3 LYS A 505 7.763 9.127 -6.956 1.00 0.00 H new ATOM 0 HD2 LYS A 505 7.153 11.917 -7.999 1.00 0.00 H new ATOM 0 HD3 LYS A 505 7.336 10.531 -9.055 1.00 0.00 H new ATOM 0 HE2 LYS A 505 5.449 9.409 -8.089 1.00 0.00 H new ATOM 0 HE3 LYS A 505 5.401 10.501 -6.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 505 3.679 11.026 -8.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 505 4.786 12.310 -8.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 505 4.832 11.251 -9.544 1.00 0.00 H new ATOM 1260 N MET A 506 8.434 11.723 -2.735 1.00 0.00 N ATOM 1261 CA MET A 506 7.942 12.124 -1.423 1.00 0.00 C ATOM 1262 C MET A 506 6.738 13.052 -1.536 1.00 0.00 C ATOM 1263 O MET A 506 6.865 14.207 -1.943 1.00 0.00 O ATOM 1264 CB MET A 506 9.050 12.804 -0.617 1.00 0.00 C ATOM 1265 CG MET A 506 9.605 14.061 -1.268 1.00 0.00 C ATOM 1266 SD MET A 506 11.184 14.570 -0.560 1.00 0.00 S ATOM 1267 CE MET A 506 10.886 14.288 1.185 1.00 0.00 C ATOM 0 H MET A 506 8.971 12.437 -3.227 1.00 0.00 H new ATOM 0 HA MET A 506 7.626 11.220 -0.903 1.00 0.00 H new ATOM 0 HB2 MET A 506 8.664 13.059 0.370 1.00 0.00 H new ATOM 0 HB3 MET A 506 9.864 12.095 -0.467 1.00 0.00 H new ATOM 0 HG2 MET A 506 9.729 13.887 -2.337 1.00 0.00 H new ATOM 0 HG3 MET A 506 8.884 14.871 -1.158 1.00 0.00 H new ATOM 0 HE1 MET A 506 11.700 14.720 1.768 1.00 0.00 H new ATOM 0 HE2 MET A 506 9.945 14.756 1.474 1.00 0.00 H new ATOM 0 HE3 MET A 506 10.832 13.216 1.376 1.00 0.00 H new ATOM 1277 N ILE A 507 5.570 12.543 -1.153 1.00 0.00 N ATOM 1278 CA ILE A 507 4.343 13.328 -1.189 1.00 0.00 C ATOM 1279 C ILE A 507 4.143 14.040 0.146 1.00 0.00 C ATOM 1280 O ILE A 507 3.878 13.403 1.166 1.00 0.00 O ATOM 1281 CB ILE A 507 3.100 12.443 -1.487 1.00 0.00 C ATOM 1282 CG1 ILE A 507 3.040 11.996 -2.962 1.00 0.00 C ATOM 1283 CG2 ILE A 507 1.823 13.187 -1.126 1.00 0.00 C ATOM 1284 CD1 ILE A 507 3.969 12.756 -3.885 1.00 0.00 C ATOM 0 H ILE A 507 5.449 11.589 -0.814 1.00 0.00 H new ATOM 0 HA ILE A 507 4.444 14.057 -1.993 1.00 0.00 H new ATOM 0 HB ILE A 507 3.192 11.547 -0.872 1.00 0.00 H new ATOM 0 HG12 ILE A 507 3.281 10.935 -3.017 1.00 0.00 H new ATOM 0 HG13 ILE A 507 2.017 12.109 -3.322 1.00 0.00 H new ATOM 0 HG21 ILE A 507 0.961 12.555 -1.340 1.00 0.00 H new ATOM 0 HG22 ILE A 507 1.835 13.437 -0.065 1.00 0.00 H new ATOM 0 HG23 ILE A 507 1.757 14.102 -1.714 1.00 0.00 H new ATOM 0 HD11 ILE A 507 3.862 12.377 -4.901 1.00 0.00 H new ATOM 0 HD12 ILE A 507 3.716 13.816 -3.864 1.00 0.00 H new ATOM 0 HD13 ILE A 507 4.999 12.623 -3.555 1.00 0.00 H new ATOM 1296 N ASN A 508 4.277 15.361 0.135 1.00 0.00 N ATOM 1297 CA ASN A 508 4.114 16.153 1.349 1.00 0.00 C ATOM 1298 C ASN A 508 5.122 15.725 2.411 1.00 0.00 C ATOM 1299 O ASN A 508 4.793 15.637 3.594 1.00 0.00 O ATOM 1300 CB ASN A 508 2.690 16.009 1.889 1.00 0.00 C ATOM 1301 CG ASN A 508 2.409 16.959 3.037 1.00 0.00 C ATOM 1302 OD1 ASN A 508 3.096 17.967 3.205 1.00 0.00 O ATOM 1303 ND2 ASN A 508 1.397 16.641 3.835 1.00 0.00 N ATOM 0 H ASN A 508 4.498 15.906 -0.699 1.00 0.00 H new ATOM 0 HA ASN A 508 4.295 17.199 1.102 1.00 0.00 H new ATOM 0 HB2 ASN A 508 1.979 16.195 1.084 1.00 0.00 H new ATOM 0 HB3 ASN A 508 2.533 14.983 2.223 1.00 0.00 H new ATOM 0 HD21 ASN A 508 1.162 17.242 4.625 1.00 0.00 H new ATOM 0 HD22 ASN A 508 0.854 15.796 3.658 1.00 0.00 H new ATOM 1310 N ASP A 509 6.352 15.458 1.978 1.00 0.00 N ATOM 1311 CA ASP A 509 7.419 15.037 2.885 1.00 0.00 C ATOM 1312 C ASP A 509 7.248 13.578 3.307 1.00 0.00 C ATOM 1313 O ASP A 509 7.912 13.114 4.234 1.00 0.00 O ATOM 1314 CB ASP A 509 7.459 15.936 4.124 1.00 0.00 C ATOM 1315 CG ASP A 509 8.875 16.207 4.595 1.00 0.00 C ATOM 1316 OD1 ASP A 509 9.417 15.377 5.354 1.00 0.00 O ATOM 1317 OD2 ASP A 509 9.441 17.250 4.205 1.00 0.00 O ATOM 0 H ASP A 509 6.636 15.526 1.001 1.00 0.00 H new ATOM 0 HA ASP A 509 8.362 15.129 2.347 1.00 0.00 H new ATOM 0 HB2 ASP A 509 6.966 16.882 3.899 1.00 0.00 H new ATOM 0 HB3 ASP A 509 6.895 15.466 4.929 1.00 0.00 H new ATOM 1322 N LYS A 510 6.363 12.856 2.623 1.00 0.00 N ATOM 1323 CA LYS A 510 6.122 11.451 2.936 1.00 0.00 C ATOM 1324 C LYS A 510 6.520 10.556 1.770 1.00 0.00 C ATOM 1325 O LYS A 510 6.145 10.812 0.628 1.00 0.00 O ATOM 1326 CB LYS A 510 4.651 11.218 3.274 1.00 0.00 C ATOM 1327 CG LYS A 510 4.406 9.897 3.985 1.00 0.00 C ATOM 1328 CD LYS A 510 4.439 10.057 5.497 1.00 0.00 C ATOM 1329 CE LYS A 510 5.761 10.636 5.971 1.00 0.00 C ATOM 1330 NZ LYS A 510 5.823 10.741 7.455 1.00 0.00 N ATOM 0 H LYS A 510 5.803 13.220 1.852 1.00 0.00 H new ATOM 0 HA LYS A 510 6.734 11.197 3.801 1.00 0.00 H new ATOM 0 HB2 LYS A 510 4.295 12.034 3.903 1.00 0.00 H new ATOM 0 HB3 LYS A 510 4.065 11.244 2.356 1.00 0.00 H new ATOM 0 HG2 LYS A 510 3.439 9.495 3.683 1.00 0.00 H new ATOM 0 HG3 LYS A 510 5.162 9.174 3.679 1.00 0.00 H new ATOM 0 HD2 LYS A 510 3.623 10.707 5.812 1.00 0.00 H new ATOM 0 HD3 LYS A 510 4.276 9.088 5.969 1.00 0.00 H new ATOM 0 HE2 LYS A 510 6.579 10.009 5.617 1.00 0.00 H new ATOM 0 HE3 LYS A 510 5.903 11.623 5.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 6.741 11.141 7.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 5.058 11.360 7.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 5.713 9.796 7.875 1.00 0.00 H new ATOM 1344 N MET A 511 7.276 9.502 2.062 1.00 0.00 N ATOM 1345 CA MET A 511 7.708 8.579 1.023 1.00 0.00 C ATOM 1346 C MET A 511 6.506 7.915 0.358 1.00 0.00 C ATOM 1347 O MET A 511 5.836 7.072 0.954 1.00 0.00 O ATOM 1348 CB MET A 511 8.638 7.515 1.610 1.00 0.00 C ATOM 1349 CG MET A 511 9.853 7.225 0.745 1.00 0.00 C ATOM 1350 SD MET A 511 9.579 5.862 -0.404 1.00 0.00 S ATOM 1351 CE MET A 511 8.712 6.703 -1.726 1.00 0.00 C ATOM 0 H MET A 511 7.599 9.269 3.001 1.00 0.00 H new ATOM 0 HA MET A 511 8.252 9.146 0.268 1.00 0.00 H new ATOM 0 HB2 MET A 511 8.973 7.841 2.595 1.00 0.00 H new ATOM 0 HB3 MET A 511 8.076 6.592 1.753 1.00 0.00 H new ATOM 0 HG2 MET A 511 10.116 8.121 0.183 1.00 0.00 H new ATOM 0 HG3 MET A 511 10.703 6.989 1.386 1.00 0.00 H new ATOM 0 HE1 MET A 511 9.137 6.408 -2.685 1.00 0.00 H new ATOM 0 HE2 MET A 511 7.656 6.433 -1.698 1.00 0.00 H new ATOM 0 HE3 MET A 511 8.814 7.781 -1.600 1.00 0.00 H new ATOM 1361 N HIS A 512 6.247 8.305 -0.883 1.00 0.00 N ATOM 1362 CA HIS A 512 5.139 7.767 -1.653 1.00 0.00 C ATOM 1363 C HIS A 512 5.629 7.144 -2.958 1.00 0.00 C ATOM 1364 O HIS A 512 6.389 7.762 -3.704 1.00 0.00 O ATOM 1365 CB HIS A 512 4.133 8.870 -1.979 1.00 0.00 C ATOM 1366 CG HIS A 512 3.171 9.177 -0.876 1.00 0.00 C ATOM 1367 ND1 HIS A 512 3.564 9.486 0.410 1.00 0.00 N ATOM 1368 CD2 HIS A 512 1.819 9.250 -0.880 1.00 0.00 C ATOM 1369 CE1 HIS A 512 2.495 9.735 1.146 1.00 0.00 C ATOM 1370 NE2 HIS A 512 1.425 9.598 0.387 1.00 0.00 N ATOM 0 H HIS A 512 6.800 9.002 -1.382 1.00 0.00 H new ATOM 0 HA HIS A 512 4.660 6.997 -1.048 1.00 0.00 H new ATOM 0 HB2 HIS A 512 4.679 9.779 -2.232 1.00 0.00 H new ATOM 0 HB3 HIS A 512 3.569 8.580 -2.866 1.00 0.00 H new ATOM 0 HD2 HIS A 512 1.171 9.068 -1.724 1.00 0.00 H new ATOM 0 HE1 HIS A 512 2.497 10.005 2.192 1.00 0.00 H new ATOM 0 HE2 HIS A 512 0.461 9.730 0.693 1.00 0.00 H new ATOM 1379 N PHE A 513 5.174 5.931 -3.237 1.00 0.00 N ATOM 1380 CA PHE A 513 5.542 5.234 -4.459 1.00 0.00 C ATOM 1381 C PHE A 513 4.336 5.152 -5.387 1.00 0.00 C ATOM 1382 O PHE A 513 3.281 4.660 -4.992 1.00 0.00 O ATOM 1383 CB PHE A 513 6.058 3.830 -4.133 1.00 0.00 C ATOM 1384 CG PHE A 513 5.806 3.403 -2.713 1.00 0.00 C ATOM 1385 CD1 PHE A 513 6.735 3.680 -1.724 1.00 0.00 C ATOM 1386 CD2 PHE A 513 4.641 2.736 -2.368 1.00 0.00 C ATOM 1387 CE1 PHE A 513 6.508 3.299 -0.416 1.00 0.00 C ATOM 1388 CE2 PHE A 513 4.410 2.353 -1.061 1.00 0.00 C ATOM 1389 CZ PHE A 513 5.344 2.635 -0.084 1.00 0.00 C ATOM 0 H PHE A 513 4.545 5.407 -2.628 1.00 0.00 H new ATOM 0 HA PHE A 513 6.338 5.787 -4.959 1.00 0.00 H new ATOM 0 HB2 PHE A 513 5.586 3.115 -4.806 1.00 0.00 H new ATOM 0 HB3 PHE A 513 7.130 3.793 -4.329 1.00 0.00 H new ATOM 0 HD1 PHE A 513 7.647 4.200 -1.978 1.00 0.00 H new ATOM 0 HD2 PHE A 513 3.907 2.514 -3.128 1.00 0.00 H new ATOM 0 HE1 PHE A 513 7.240 3.520 0.346 1.00 0.00 H new ATOM 0 HE2 PHE A 513 3.499 1.833 -0.803 1.00 0.00 H new ATOM 0 HZ PHE A 513 5.164 2.337 0.938 1.00 0.00 H new ATOM 1399 N SER A 514 4.478 5.654 -6.611 1.00 0.00 N ATOM 1400 CA SER A 514 3.365 5.638 -7.553 1.00 0.00 C ATOM 1401 C SER A 514 3.742 6.243 -8.903 1.00 0.00 C ATOM 1402 O SER A 514 4.792 6.869 -9.051 1.00 0.00 O ATOM 1403 CB SER A 514 2.184 6.401 -6.954 1.00 0.00 C ATOM 1404 OG SER A 514 1.113 5.525 -6.648 1.00 0.00 O ATOM 0 H SER A 514 5.338 6.070 -6.969 1.00 0.00 H new ATOM 0 HA SER A 514 3.092 4.597 -7.729 1.00 0.00 H new ATOM 0 HB2 SER A 514 2.503 6.920 -6.050 1.00 0.00 H new ATOM 0 HB3 SER A 514 1.845 7.163 -7.656 1.00 0.00 H new ATOM 0 HG SER A 514 1.114 5.331 -5.687 1.00 0.00 H new ATOM 1410 N LEU A 515 2.856 6.060 -9.880 1.00 0.00 N ATOM 1411 CA LEU A 515 3.049 6.586 -11.217 1.00 0.00 C ATOM 1412 C LEU A 515 1.921 7.546 -11.550 1.00 0.00 C ATOM 1413 O LEU A 515 0.926 7.614 -10.828 1.00 0.00 O ATOM 1414 CB LEU A 515 3.102 5.468 -12.264 1.00 0.00 C ATOM 1415 CG LEU A 515 1.862 4.580 -12.313 1.00 0.00 C ATOM 1416 CD1 LEU A 515 1.769 3.834 -13.634 1.00 0.00 C ATOM 1417 CD2 LEU A 515 1.894 3.607 -11.159 1.00 0.00 C ATOM 0 H LEU A 515 1.986 5.542 -9.760 1.00 0.00 H new ATOM 0 HA LEU A 515 4.005 7.109 -11.240 1.00 0.00 H new ATOM 0 HB2 LEU A 515 3.250 5.916 -13.247 1.00 0.00 H new ATOM 0 HB3 LEU A 515 3.972 4.843 -12.064 1.00 0.00 H new ATOM 0 HG LEU A 515 0.978 5.213 -12.230 1.00 0.00 H new ATOM 0 HD11 LEU A 515 0.875 3.210 -13.637 1.00 0.00 H new ATOM 0 HD12 LEU A 515 1.715 4.551 -14.454 1.00 0.00 H new ATOM 0 HD13 LEU A 515 2.651 3.205 -13.760 1.00 0.00 H new ATOM 0 HD21 LEU A 515 1.008 2.972 -11.193 1.00 0.00 H new ATOM 0 HD22 LEU A 515 2.788 2.987 -11.230 1.00 0.00 H new ATOM 0 HD23 LEU A 515 1.909 4.158 -10.219 1.00 0.00 H new ATOM 1429 N LYS A 516 2.061 8.279 -12.642 1.00 0.00 N ATOM 1430 CA LYS A 516 1.029 9.215 -13.042 1.00 0.00 C ATOM 1431 C LYS A 516 0.813 9.188 -14.549 1.00 0.00 C ATOM 1432 O LYS A 516 1.633 9.693 -15.316 1.00 0.00 O ATOM 1433 CB LYS A 516 1.352 10.632 -12.572 1.00 0.00 C ATOM 1434 CG LYS A 516 2.636 10.725 -11.777 1.00 0.00 C ATOM 1435 CD LYS A 516 3.840 10.469 -12.662 1.00 0.00 C ATOM 1436 CE LYS A 516 4.923 9.699 -11.925 1.00 0.00 C ATOM 1437 NZ LYS A 516 5.612 8.722 -12.813 1.00 0.00 N ATOM 0 H LYS A 516 2.871 8.244 -13.261 1.00 0.00 H new ATOM 0 HA LYS A 516 0.103 8.902 -12.561 1.00 0.00 H new ATOM 0 HB2 LYS A 516 1.423 11.287 -13.440 1.00 0.00 H new ATOM 0 HB3 LYS A 516 0.528 11.001 -11.961 1.00 0.00 H new ATOM 0 HG2 LYS A 516 2.717 11.713 -11.323 1.00 0.00 H new ATOM 0 HG3 LYS A 516 2.618 10.001 -10.963 1.00 0.00 H new ATOM 0 HD2 LYS A 516 3.531 9.909 -13.544 1.00 0.00 H new ATOM 0 HD3 LYS A 516 4.243 11.419 -13.013 1.00 0.00 H new ATOM 0 HE2 LYS A 516 5.654 10.399 -11.519 1.00 0.00 H new ATOM 0 HE3 LYS A 516 4.482 9.172 -11.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 516 6.343 8.217 -12.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 516 4.920 8.039 -13.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 516 6.055 9.227 -13.607 1.00 0.00 H new ATOM 1451 N GLU A 517 -0.300 8.593 -14.964 1.00 0.00 N ATOM 1452 CA GLU A 517 -0.636 8.492 -16.368 1.00 0.00 C ATOM 1453 C GLU A 517 -1.234 9.801 -16.877 1.00 0.00 C ATOM 1454 O GLU A 517 -2.150 10.330 -16.212 1.00 0.00 O ATOM 1455 CB GLU A 517 -1.629 7.345 -16.580 1.00 0.00 C ATOM 1456 CG GLU A 517 -1.000 5.954 -16.621 1.00 0.00 C ATOM 1457 CD GLU A 517 0.294 5.911 -17.412 1.00 0.00 C ATOM 1458 OE1 GLU A 517 1.361 6.181 -16.820 1.00 0.00 O ATOM 1459 OE2 GLU A 517 0.241 5.608 -18.623 1.00 0.00 O ATOM 1460 OXT GLU A 517 -0.781 10.285 -17.936 1.00 0.00 O ATOM 0 H GLU A 517 -0.986 8.172 -14.337 1.00 0.00 H new ATOM 0 HA GLU A 517 0.276 8.290 -16.930 1.00 0.00 H new ATOM 0 HB2 GLU A 517 -2.369 7.371 -15.780 1.00 0.00 H new ATOM 0 HB3 GLU A 517 -2.164 7.514 -17.514 1.00 0.00 H new ATOM 0 HG2 GLU A 517 -0.808 5.618 -15.602 1.00 0.00 H new ATOM 0 HG3 GLU A 517 -1.710 5.253 -17.059 1.00 0.00 H new