USER MOD reduce.3.24.130724 H: found=0, std=0, add=551, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 553 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 Set 1.1: A 597 MET CE :methyl 151:sc= -4.75! (180deg=-4.11!) USER MOD Set 1.2: A 600 MET CE :methyl 143:sc= -7.48! (180deg=-11.4!) USER MOD Set 2.1: A 561 CYS SG : rot 145:sc=-0.00675 USER MOD Set 2.2: A 596 MET CE :methyl -129:sc= -0.473 (180deg=-1.07) USER MOD Single : A 544 ASN : amide:sc= -0.666! X(o=-0.67!,f=-0.54) USER MOD Single : A 550 THR OG1 : rot 180:sc= 0 USER MOD Single : A 552 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.477) USER MOD Single : A 553 MET CE :methyl -159:sc= -0.0681 (180deg=-0.436) USER MOD Single : A 555 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 557 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 559 ASN : amide:sc=-0.00822 X(o=-0.0082,f=-0.34) USER MOD Single : A 563 HIS :FLIP no HD1:sc= -0.58 F(o=-2.7!,f=-0.58) USER MOD Single : A 566 TYR OH : rot 180:sc= -0.59 USER MOD Single : A 570 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 577 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 579 CYS SG : rot 180:sc= -2.36 USER MOD Single : A 583 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 586 SER OG : rot 180:sc= 0 USER MOD Single : A 594 CYS SG : rot 63:sc= -0.344 USER MOD Single : A 598 ASN : amide:sc= 0.534 K(o=0.53,f=-3.8!) USER MOD Single : A 601 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 603 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 539 -5.614 11.258 4.965 1.00 0.00 N ATOM 60 CA GLY A 539 -4.895 10.160 5.583 1.00 0.00 C ATOM 61 C GLY A 539 -5.802 8.997 5.935 1.00 0.00 C ATOM 62 O GLY A 539 -6.576 9.072 6.890 1.00 0.00 O ATOM 0 HA2 GLY A 539 -4.113 9.815 4.906 1.00 0.00 H new ATOM 0 HA3 GLY A 539 -4.400 10.517 6.486 1.00 0.00 H new ATOM 66 N ILE A 540 -5.707 7.921 5.161 1.00 0.00 N ATOM 67 CA ILE A 540 -6.527 6.738 5.396 1.00 0.00 C ATOM 68 C ILE A 540 -5.959 5.893 6.531 1.00 0.00 C ATOM 69 O ILE A 540 -4.989 6.281 7.183 1.00 0.00 O ATOM 70 CB ILE A 540 -6.637 5.869 4.130 1.00 0.00 C ATOM 71 CG1 ILE A 540 -5.306 5.170 3.847 1.00 0.00 C ATOM 72 CG2 ILE A 540 -7.059 6.719 2.940 1.00 0.00 C ATOM 73 CD1 ILE A 540 -5.418 4.037 2.851 1.00 0.00 C ATOM 0 H ILE A 540 -5.072 7.844 4.367 1.00 0.00 H new ATOM 0 HA ILE A 540 -7.521 7.092 5.671 1.00 0.00 H new ATOM 0 HB ILE A 540 -7.398 5.106 4.295 1.00 0.00 H new ATOM 0 HG12 ILE A 540 -4.592 5.903 3.472 1.00 0.00 H new ATOM 0 HG13 ILE A 540 -4.903 4.782 4.782 1.00 0.00 H new ATOM 0 HG21 ILE A 540 -7.133 6.091 2.052 1.00 0.00 H new ATOM 0 HG22 ILE A 540 -8.028 7.174 3.144 1.00 0.00 H new ATOM 0 HG23 ILE A 540 -6.319 7.501 2.771 1.00 0.00 H new ATOM 0 HD11 ILE A 540 -4.437 3.588 2.699 1.00 0.00 H new ATOM 0 HD12 ILE A 540 -6.107 3.283 3.233 1.00 0.00 H new ATOM 0 HD13 ILE A 540 -5.792 4.422 1.902 1.00 0.00 H new ATOM 85 N PHE A 541 -6.568 4.735 6.761 1.00 0.00 N ATOM 86 CA PHE A 541 -6.123 3.833 7.817 1.00 0.00 C ATOM 87 C PHE A 541 -6.257 2.377 7.381 1.00 0.00 C ATOM 88 O PHE A 541 -7.233 1.998 6.733 1.00 0.00 O ATOM 89 CB PHE A 541 -6.931 4.071 9.094 1.00 0.00 C ATOM 90 CG PHE A 541 -6.160 3.789 10.352 1.00 0.00 C ATOM 91 CD1 PHE A 541 -6.000 2.489 10.806 1.00 0.00 C ATOM 92 CD2 PHE A 541 -5.596 4.823 11.082 1.00 0.00 C ATOM 93 CE1 PHE A 541 -5.291 2.226 11.963 1.00 0.00 C ATOM 94 CE2 PHE A 541 -4.886 4.566 12.239 1.00 0.00 C ATOM 95 CZ PHE A 541 -4.734 3.266 12.681 1.00 0.00 C ATOM 0 H PHE A 541 -7.371 4.399 6.230 1.00 0.00 H new ATOM 0 HA PHE A 541 -5.071 4.039 8.017 1.00 0.00 H new ATOM 0 HB2 PHE A 541 -7.272 5.106 9.111 1.00 0.00 H new ATOM 0 HB3 PHE A 541 -7.821 3.442 9.074 1.00 0.00 H new ATOM 0 HD1 PHE A 541 -6.434 1.672 10.249 1.00 0.00 H new ATOM 0 HD2 PHE A 541 -5.713 5.842 10.743 1.00 0.00 H new ATOM 0 HE1 PHE A 541 -5.173 1.208 12.305 1.00 0.00 H new ATOM 0 HE2 PHE A 541 -4.450 5.381 12.798 1.00 0.00 H new ATOM 0 HZ PHE A 541 -4.181 3.063 13.586 1.00 0.00 H new ATOM 105 N VAL A 542 -5.269 1.564 7.741 1.00 0.00 N ATOM 106 CA VAL A 542 -5.276 0.149 7.388 1.00 0.00 C ATOM 107 C VAL A 542 -5.110 -0.727 8.625 1.00 0.00 C ATOM 108 O VAL A 542 -4.475 -0.326 9.601 1.00 0.00 O ATOM 109 CB VAL A 542 -4.158 -0.184 6.383 1.00 0.00 C ATOM 110 CG1 VAL A 542 -4.448 -1.500 5.678 1.00 0.00 C ATOM 111 CG2 VAL A 542 -3.994 0.944 5.376 1.00 0.00 C ATOM 0 H VAL A 542 -4.453 1.861 8.277 1.00 0.00 H new ATOM 0 HA VAL A 542 -6.242 -0.057 6.927 1.00 0.00 H new ATOM 0 HB VAL A 542 -3.222 -0.291 6.930 1.00 0.00 H new ATOM 0 HG11 VAL A 542 -3.647 -1.719 4.972 1.00 0.00 H new ATOM 0 HG12 VAL A 542 -4.511 -2.301 6.414 1.00 0.00 H new ATOM 0 HG13 VAL A 542 -5.394 -1.425 5.142 1.00 0.00 H new ATOM 0 HG21 VAL A 542 -3.200 0.692 4.673 1.00 0.00 H new ATOM 0 HG22 VAL A 542 -4.928 1.085 4.832 1.00 0.00 H new ATOM 0 HG23 VAL A 542 -3.736 1.865 5.900 1.00 0.00 H new ATOM 121 N ARG A 543 -5.684 -1.924 8.577 1.00 0.00 N ATOM 122 CA ARG A 543 -5.600 -2.857 9.694 1.00 0.00 C ATOM 123 C ARG A 543 -5.382 -4.283 9.196 1.00 0.00 C ATOM 124 O ARG A 543 -5.675 -4.600 8.044 1.00 0.00 O ATOM 125 CB ARG A 543 -6.873 -2.789 10.540 1.00 0.00 C ATOM 126 CG ARG A 543 -6.811 -1.755 11.652 1.00 0.00 C ATOM 127 CD ARG A 543 -8.033 -1.832 12.553 1.00 0.00 C ATOM 128 NE ARG A 543 -8.196 -0.625 13.359 1.00 0.00 N ATOM 129 CZ ARG A 543 -9.296 -0.346 14.050 1.00 0.00 C ATOM 130 NH1 ARG A 543 -10.324 -1.184 14.034 1.00 0.00 N ATOM 131 NH2 ARG A 543 -9.368 0.773 14.760 1.00 0.00 N ATOM 0 H ARG A 543 -6.212 -2.271 7.776 1.00 0.00 H new ATOM 0 HA ARG A 543 -4.747 -2.572 10.310 1.00 0.00 H new ATOM 0 HB2 ARG A 543 -7.719 -2.562 9.891 1.00 0.00 H new ATOM 0 HB3 ARG A 543 -7.061 -3.770 10.977 1.00 0.00 H new ATOM 0 HG2 ARG A 543 -5.910 -1.911 12.245 1.00 0.00 H new ATOM 0 HG3 ARG A 543 -6.739 -0.757 11.219 1.00 0.00 H new ATOM 0 HD2 ARG A 543 -8.924 -1.984 11.943 1.00 0.00 H new ATOM 0 HD3 ARG A 543 -7.945 -2.697 13.210 1.00 0.00 H new ATOM 0 HE ARG A 543 -7.423 0.040 13.393 1.00 0.00 H new ATOM 0 HH11 ARG A 543 -10.271 -2.045 13.490 1.00 0.00 H new ATOM 0 HH12 ARG A 543 -11.167 -0.967 14.566 1.00 0.00 H new ATOM 0 HH21 ARG A 543 -8.579 1.419 14.775 1.00 0.00 H new ATOM 0 HH22 ARG A 543 -10.213 0.987 15.290 1.00 0.00 H new ATOM 145 N ASN A 544 -4.867 -5.138 10.074 1.00 0.00 N ATOM 146 CA ASN A 544 -4.609 -6.530 9.723 1.00 0.00 C ATOM 147 C ASN A 544 -3.463 -6.636 8.722 1.00 0.00 C ATOM 148 O ASN A 544 -3.590 -7.282 7.681 1.00 0.00 O ATOM 149 CB ASN A 544 -5.870 -7.173 9.141 1.00 0.00 C ATOM 150 CG ASN A 544 -5.861 -8.684 9.273 1.00 0.00 C ATOM 151 OD1 ASN A 544 -6.844 -9.286 9.706 1.00 0.00 O ATOM 152 ND2 ASN A 544 -4.748 -9.304 8.898 1.00 0.00 N ATOM 0 H ASN A 544 -4.620 -4.892 11.033 1.00 0.00 H new ATOM 0 HA ASN A 544 -4.324 -7.061 10.632 1.00 0.00 H new ATOM 0 HB2 ASN A 544 -6.747 -6.772 9.649 1.00 0.00 H new ATOM 0 HB3 ASN A 544 -5.960 -6.903 8.089 1.00 0.00 H new ATOM 0 HD21 ASN A 544 -4.683 -10.320 8.963 1.00 0.00 H new ATOM 0 HD22 ASN A 544 -3.958 -8.764 8.545 1.00 0.00 H new ATOM 159 N LEU A 545 -2.343 -5.998 9.044 1.00 0.00 N ATOM 160 CA LEU A 545 -1.173 -6.020 8.174 1.00 0.00 C ATOM 161 C LEU A 545 -0.151 -7.042 8.661 1.00 0.00 C ATOM 162 O LEU A 545 0.054 -7.228 9.860 1.00 0.00 O ATOM 163 CB LEU A 545 -0.532 -4.632 8.112 1.00 0.00 C ATOM 164 CG LEU A 545 -1.258 -3.596 7.252 1.00 0.00 C ATOM 165 CD1 LEU A 545 -0.841 -2.188 7.648 1.00 0.00 C ATOM 166 CD2 LEU A 545 -0.982 -3.840 5.776 1.00 0.00 C ATOM 0 H LEU A 545 -2.221 -5.459 9.901 1.00 0.00 H new ATOM 0 HA LEU A 545 -1.500 -6.308 7.175 1.00 0.00 H new ATOM 0 HB2 LEU A 545 -0.456 -4.243 9.127 1.00 0.00 H new ATOM 0 HB3 LEU A 545 0.485 -4.740 7.735 1.00 0.00 H new ATOM 0 HG LEU A 545 -2.330 -3.698 7.422 1.00 0.00 H new ATOM 0 HD11 LEU A 545 -1.367 -1.464 7.026 1.00 0.00 H new ATOM 0 HD12 LEU A 545 -1.090 -2.016 8.695 1.00 0.00 H new ATOM 0 HD13 LEU A 545 0.234 -2.074 7.507 1.00 0.00 H new ATOM 0 HD21 LEU A 545 -1.507 -3.094 5.180 1.00 0.00 H new ATOM 0 HD22 LEU A 545 0.089 -3.766 5.589 1.00 0.00 H new ATOM 0 HD23 LEU A 545 -1.331 -4.835 5.500 1.00 0.00 H new ATOM 178 N PRO A 546 0.508 -7.720 7.709 1.00 0.00 N ATOM 179 CA PRO A 546 1.522 -8.733 8.018 1.00 0.00 C ATOM 180 C PRO A 546 2.792 -8.124 8.601 1.00 0.00 C ATOM 181 O PRO A 546 3.276 -7.097 8.123 1.00 0.00 O ATOM 182 CB PRO A 546 1.811 -9.371 6.657 1.00 0.00 C ATOM 183 CG PRO A 546 1.461 -8.318 5.663 1.00 0.00 C ATOM 184 CD PRO A 546 0.315 -7.550 6.260 1.00 0.00 C ATOM 0 HA PRO A 546 1.175 -9.440 8.771 1.00 0.00 H new ATOM 0 HB2 PRO A 546 2.857 -9.664 6.571 1.00 0.00 H new ATOM 0 HB3 PRO A 546 1.215 -10.271 6.507 1.00 0.00 H new ATOM 0 HG2 PRO A 546 2.312 -7.664 5.472 1.00 0.00 H new ATOM 0 HG3 PRO A 546 1.178 -8.761 4.708 1.00 0.00 H new ATOM 0 HD2 PRO A 546 0.342 -6.499 5.972 1.00 0.00 H new ATOM 0 HD3 PRO A 546 -0.647 -7.945 5.934 1.00 0.00 H new ATOM 192 N PHE A 547 3.328 -8.763 9.635 1.00 0.00 N ATOM 193 CA PHE A 547 4.543 -8.283 10.284 1.00 0.00 C ATOM 194 C PHE A 547 5.593 -7.888 9.249 1.00 0.00 C ATOM 195 O PHE A 547 6.003 -6.730 9.176 1.00 0.00 O ATOM 196 CB PHE A 547 5.107 -9.357 11.216 1.00 0.00 C ATOM 197 CG PHE A 547 4.165 -9.750 12.318 1.00 0.00 C ATOM 198 CD1 PHE A 547 3.748 -8.819 13.255 1.00 0.00 C ATOM 199 CD2 PHE A 547 3.698 -11.050 12.416 1.00 0.00 C ATOM 200 CE1 PHE A 547 2.880 -9.177 14.270 1.00 0.00 C ATOM 201 CE2 PHE A 547 2.830 -11.414 13.429 1.00 0.00 C ATOM 202 CZ PHE A 547 2.422 -10.477 14.357 1.00 0.00 C ATOM 0 H PHE A 547 2.941 -9.614 10.042 1.00 0.00 H new ATOM 0 HA PHE A 547 4.287 -7.401 10.871 1.00 0.00 H new ATOM 0 HB2 PHE A 547 5.356 -10.241 10.629 1.00 0.00 H new ATOM 0 HB3 PHE A 547 6.036 -8.994 11.655 1.00 0.00 H new ATOM 0 HD1 PHE A 547 4.105 -7.802 13.192 1.00 0.00 H new ATOM 0 HD2 PHE A 547 4.015 -11.787 11.694 1.00 0.00 H new ATOM 0 HE1 PHE A 547 2.561 -8.441 14.993 1.00 0.00 H new ATOM 0 HE2 PHE A 547 2.472 -12.431 13.494 1.00 0.00 H new ATOM 0 HZ PHE A 547 1.746 -10.760 15.150 1.00 0.00 H new ATOM 212 N ASP A 548 6.023 -8.860 8.453 1.00 0.00 N ATOM 213 CA ASP A 548 7.025 -8.616 7.421 1.00 0.00 C ATOM 214 C ASP A 548 6.868 -7.218 6.832 1.00 0.00 C ATOM 215 O ASP A 548 7.850 -6.578 6.454 1.00 0.00 O ATOM 216 CB ASP A 548 6.914 -9.665 6.314 1.00 0.00 C ATOM 217 CG ASP A 548 5.475 -10.018 5.992 1.00 0.00 C ATOM 218 OD1 ASP A 548 4.922 -10.916 6.659 1.00 0.00 O ATOM 219 OD2 ASP A 548 4.903 -9.395 5.073 1.00 0.00 O ATOM 0 H ASP A 548 5.694 -9.824 8.502 1.00 0.00 H new ATOM 0 HA ASP A 548 8.010 -8.688 7.881 1.00 0.00 H new ATOM 0 HB2 ASP A 548 7.404 -9.292 5.414 1.00 0.00 H new ATOM 0 HB3 ASP A 548 7.447 -10.566 6.617 1.00 0.00 H new ATOM 224 N PHE A 549 5.627 -6.749 6.754 1.00 0.00 N ATOM 225 CA PHE A 549 5.341 -5.428 6.209 1.00 0.00 C ATOM 226 C PHE A 549 6.097 -4.347 6.976 1.00 0.00 C ATOM 227 O PHE A 549 6.008 -4.260 8.201 1.00 0.00 O ATOM 228 CB PHE A 549 3.838 -5.147 6.258 1.00 0.00 C ATOM 229 CG PHE A 549 3.360 -4.247 5.154 1.00 0.00 C ATOM 230 CD1 PHE A 549 3.061 -4.763 3.903 1.00 0.00 C ATOM 231 CD2 PHE A 549 3.208 -2.887 5.368 1.00 0.00 C ATOM 232 CE1 PHE A 549 2.621 -3.937 2.886 1.00 0.00 C ATOM 233 CE2 PHE A 549 2.769 -2.056 4.354 1.00 0.00 C ATOM 234 CZ PHE A 549 2.474 -2.582 3.112 1.00 0.00 C ATOM 0 H PHE A 549 4.803 -7.265 7.062 1.00 0.00 H new ATOM 0 HA PHE A 549 5.673 -5.412 5.171 1.00 0.00 H new ATOM 0 HB2 PHE A 549 3.298 -6.092 6.205 1.00 0.00 H new ATOM 0 HB3 PHE A 549 3.592 -4.693 7.218 1.00 0.00 H new ATOM 0 HD1 PHE A 549 3.173 -5.822 3.721 1.00 0.00 H new ATOM 0 HD2 PHE A 549 3.435 -2.471 6.338 1.00 0.00 H new ATOM 0 HE1 PHE A 549 2.392 -4.351 1.915 1.00 0.00 H new ATOM 0 HE2 PHE A 549 2.657 -0.997 4.533 1.00 0.00 H new ATOM 0 HZ PHE A 549 2.129 -1.935 2.319 1.00 0.00 H new ATOM 244 N THR A 550 6.844 -3.524 6.246 1.00 0.00 N ATOM 245 CA THR A 550 7.618 -2.450 6.856 1.00 0.00 C ATOM 246 C THR A 550 7.139 -1.086 6.374 1.00 0.00 C ATOM 247 O THR A 550 6.553 -0.968 5.299 1.00 0.00 O ATOM 248 CB THR A 550 9.120 -2.594 6.545 1.00 0.00 C ATOM 249 OG1 THR A 550 9.328 -2.605 5.129 1.00 0.00 O ATOM 250 CG2 THR A 550 9.679 -3.870 7.155 1.00 0.00 C ATOM 0 H THR A 550 6.929 -3.581 5.231 1.00 0.00 H new ATOM 0 HA THR A 550 7.469 -2.525 7.933 1.00 0.00 H new ATOM 0 HB THR A 550 9.642 -1.743 6.982 1.00 0.00 H new ATOM 0 HG1 THR A 550 10.285 -2.695 4.940 1.00 0.00 H new ATOM 0 HG21 THR A 550 10.741 -3.950 6.922 1.00 0.00 H new ATOM 0 HG22 THR A 550 9.546 -3.845 8.237 1.00 0.00 H new ATOM 0 HG23 THR A 550 9.152 -4.731 6.744 1.00 0.00 H new ATOM 258 N TRP A 551 7.393 -0.058 7.177 1.00 0.00 N ATOM 259 CA TRP A 551 6.988 1.300 6.831 1.00 0.00 C ATOM 260 C TRP A 551 7.223 1.577 5.350 1.00 0.00 C ATOM 261 O TRP A 551 6.373 2.158 4.675 1.00 0.00 O ATOM 262 CB TRP A 551 7.755 2.314 7.681 1.00 0.00 C ATOM 263 CG TRP A 551 9.230 2.316 7.417 1.00 0.00 C ATOM 264 CD1 TRP A 551 10.168 1.516 8.004 1.00 0.00 C ATOM 265 CD2 TRP A 551 9.936 3.160 6.501 1.00 0.00 C ATOM 266 NE1 TRP A 551 11.415 1.811 7.507 1.00 0.00 N ATOM 267 CE2 TRP A 551 11.299 2.816 6.583 1.00 0.00 C ATOM 268 CE3 TRP A 551 9.549 4.171 5.617 1.00 0.00 C ATOM 269 CZ2 TRP A 551 12.274 3.448 5.816 1.00 0.00 C ATOM 270 CZ3 TRP A 551 10.518 4.798 4.857 1.00 0.00 C ATOM 271 CH2 TRP A 551 11.867 4.435 4.960 1.00 0.00 C ATOM 0 H TRP A 551 7.877 -0.139 8.071 1.00 0.00 H new ATOM 0 HA TRP A 551 5.922 1.399 7.035 1.00 0.00 H new ATOM 0 HB2 TRP A 551 7.358 3.311 7.491 1.00 0.00 H new ATOM 0 HB3 TRP A 551 7.582 2.098 8.735 1.00 0.00 H new ATOM 0 HD1 TRP A 551 9.961 0.762 8.749 1.00 0.00 H new ATOM 0 HE1 TRP A 551 12.285 1.356 7.781 1.00 0.00 H new ATOM 0 HE3 TRP A 551 8.511 4.457 5.529 1.00 0.00 H new ATOM 0 HZ2 TRP A 551 13.314 3.169 5.894 1.00 0.00 H new ATOM 0 HZ3 TRP A 551 10.230 5.582 4.172 1.00 0.00 H new ATOM 0 HH2 TRP A 551 12.600 4.944 4.352 1.00 0.00 H new ATOM 282 N LYS A 552 8.381 1.159 4.850 1.00 0.00 N ATOM 283 CA LYS A 552 8.728 1.361 3.449 1.00 0.00 C ATOM 284 C LYS A 552 7.632 0.822 2.534 1.00 0.00 C ATOM 285 O LYS A 552 7.220 1.488 1.585 1.00 0.00 O ATOM 286 CB LYS A 552 10.058 0.677 3.127 1.00 0.00 C ATOM 287 CG LYS A 552 11.268 1.571 3.333 1.00 0.00 C ATOM 288 CD LYS A 552 12.542 0.759 3.495 1.00 0.00 C ATOM 289 CE LYS A 552 13.078 0.290 2.151 1.00 0.00 C ATOM 290 NZ LYS A 552 12.488 -1.015 1.744 1.00 0.00 N ATOM 0 H LYS A 552 9.096 0.678 5.396 1.00 0.00 H new ATOM 0 HA LYS A 552 8.827 2.433 3.276 1.00 0.00 H new ATOM 0 HB2 LYS A 552 10.161 -0.210 3.752 1.00 0.00 H new ATOM 0 HB3 LYS A 552 10.040 0.337 2.092 1.00 0.00 H new ATOM 0 HG2 LYS A 552 11.371 2.246 2.483 1.00 0.00 H new ATOM 0 HG3 LYS A 552 11.117 2.192 4.216 1.00 0.00 H new ATOM 0 HD2 LYS A 552 13.297 1.362 3.999 1.00 0.00 H new ATOM 0 HD3 LYS A 552 12.346 -0.104 4.131 1.00 0.00 H new ATOM 0 HE2 LYS A 552 12.860 1.040 1.391 1.00 0.00 H new ATOM 0 HE3 LYS A 552 14.163 0.197 2.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 552 13.166 -1.531 1.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 552 12.273 -1.578 2.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 552 11.612 -0.848 1.208 1.00 0.00 H new ATOM 304 N MET A 553 7.165 -0.388 2.827 1.00 0.00 N ATOM 305 CA MET A 553 6.116 -1.014 2.032 1.00 0.00 C ATOM 306 C MET A 553 4.865 -0.141 1.997 1.00 0.00 C ATOM 307 O MET A 553 4.375 0.217 0.925 1.00 0.00 O ATOM 308 CB MET A 553 5.773 -2.394 2.598 1.00 0.00 C ATOM 309 CG MET A 553 6.960 -3.341 2.650 1.00 0.00 C ATOM 310 SD MET A 553 7.253 -4.176 1.079 1.00 0.00 S ATOM 311 CE MET A 553 5.857 -5.296 1.026 1.00 0.00 C ATOM 0 H MET A 553 7.497 -0.953 3.609 1.00 0.00 H new ATOM 0 HA MET A 553 6.486 -1.128 1.013 1.00 0.00 H new ATOM 0 HB2 MET A 553 5.369 -2.275 3.603 1.00 0.00 H new ATOM 0 HB3 MET A 553 4.987 -2.842 1.990 1.00 0.00 H new ATOM 0 HG2 MET A 553 7.853 -2.783 2.932 1.00 0.00 H new ATOM 0 HG3 MET A 553 6.791 -4.086 3.427 1.00 0.00 H new ATOM 0 HE1 MET A 553 6.075 -6.117 0.343 1.00 0.00 H new ATOM 0 HE2 MET A 553 5.671 -5.693 2.024 1.00 0.00 H new ATOM 0 HE3 MET A 553 4.974 -4.760 0.679 1.00 0.00 H new ATOM 321 N LEU A 554 4.353 0.199 3.175 1.00 0.00 N ATOM 322 CA LEU A 554 3.159 1.030 3.279 1.00 0.00 C ATOM 323 C LEU A 554 3.215 2.189 2.289 1.00 0.00 C ATOM 324 O LEU A 554 2.229 2.496 1.619 1.00 0.00 O ATOM 325 CB LEU A 554 3.011 1.568 4.703 1.00 0.00 C ATOM 326 CG LEU A 554 1.675 2.235 5.033 1.00 0.00 C ATOM 327 CD1 LEU A 554 0.559 1.202 5.077 1.00 0.00 C ATOM 328 CD2 LEU A 554 1.764 2.982 6.356 1.00 0.00 C ATOM 0 H LEU A 554 4.746 -0.088 4.071 1.00 0.00 H new ATOM 0 HA LEU A 554 2.294 0.412 3.039 1.00 0.00 H new ATOM 0 HB2 LEU A 554 3.164 0.744 5.399 1.00 0.00 H new ATOM 0 HB3 LEU A 554 3.808 2.289 4.882 1.00 0.00 H new ATOM 0 HG LEU A 554 1.446 2.954 4.247 1.00 0.00 H new ATOM 0 HD11 LEU A 554 -0.384 1.695 5.313 1.00 0.00 H new ATOM 0 HD12 LEU A 554 0.479 0.711 4.107 1.00 0.00 H new ATOM 0 HD13 LEU A 554 0.781 0.459 5.842 1.00 0.00 H new ATOM 0 HD21 LEU A 554 0.804 3.450 6.575 1.00 0.00 H new ATOM 0 HD22 LEU A 554 2.016 2.282 7.153 1.00 0.00 H new ATOM 0 HD23 LEU A 554 2.535 3.749 6.289 1.00 0.00 H new ATOM 340 N LYS A 555 4.376 2.829 2.200 1.00 0.00 N ATOM 341 CA LYS A 555 4.563 3.953 1.290 1.00 0.00 C ATOM 342 C LYS A 555 4.611 3.477 -0.159 1.00 0.00 C ATOM 343 O LYS A 555 3.718 3.778 -0.951 1.00 0.00 O ATOM 344 CB LYS A 555 5.851 4.705 1.633 1.00 0.00 C ATOM 345 CG LYS A 555 6.241 5.748 0.600 1.00 0.00 C ATOM 346 CD LYS A 555 7.735 6.020 0.618 1.00 0.00 C ATOM 347 CE LYS A 555 8.067 7.353 -0.034 1.00 0.00 C ATOM 348 NZ LYS A 555 9.464 7.780 0.256 1.00 0.00 N ATOM 0 H LYS A 555 5.202 2.588 2.747 1.00 0.00 H new ATOM 0 HA LYS A 555 3.714 4.627 1.406 1.00 0.00 H new ATOM 0 HB2 LYS A 555 5.731 5.192 2.601 1.00 0.00 H new ATOM 0 HB3 LYS A 555 6.664 3.987 1.737 1.00 0.00 H new ATOM 0 HG2 LYS A 555 5.944 5.407 -0.392 1.00 0.00 H new ATOM 0 HG3 LYS A 555 5.699 6.674 0.794 1.00 0.00 H new ATOM 0 HD2 LYS A 555 8.094 6.018 1.647 1.00 0.00 H new ATOM 0 HD3 LYS A 555 8.258 5.218 0.096 1.00 0.00 H new ATOM 0 HE2 LYS A 555 7.928 7.274 -1.112 1.00 0.00 H new ATOM 0 HE3 LYS A 555 7.373 8.114 0.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 555 9.651 8.693 -0.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 555 9.590 7.880 1.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 555 10.128 7.066 -0.107 1.00 0.00 H new ATOM 362 N ASP A 556 5.658 2.732 -0.498 1.00 0.00 N ATOM 363 CA ASP A 556 5.820 2.213 -1.851 1.00 0.00 C ATOM 364 C ASP A 556 4.539 1.539 -2.332 1.00 0.00 C ATOM 365 O ASP A 556 3.916 1.982 -3.297 1.00 0.00 O ATOM 366 CB ASP A 556 6.983 1.220 -1.902 1.00 0.00 C ATOM 367 CG ASP A 556 6.997 0.411 -3.184 1.00 0.00 C ATOM 368 OD1 ASP A 556 6.774 1.002 -4.262 1.00 0.00 O ATOM 369 OD2 ASP A 556 7.231 -0.813 -3.110 1.00 0.00 O ATOM 0 H ASP A 556 6.406 2.474 0.145 1.00 0.00 H new ATOM 0 HA ASP A 556 6.038 3.052 -2.512 1.00 0.00 H new ATOM 0 HB2 ASP A 556 7.924 1.762 -1.807 1.00 0.00 H new ATOM 0 HB3 ASP A 556 6.917 0.544 -1.050 1.00 0.00 H new ATOM 374 N LYS A 557 4.150 0.465 -1.653 1.00 0.00 N ATOM 375 CA LYS A 557 2.943 -0.271 -2.010 1.00 0.00 C ATOM 376 C LYS A 557 1.833 0.682 -2.443 1.00 0.00 C ATOM 377 O LYS A 557 1.280 0.550 -3.535 1.00 0.00 O ATOM 378 CB LYS A 557 2.470 -1.119 -0.827 1.00 0.00 C ATOM 379 CG LYS A 557 1.066 -1.673 -0.999 1.00 0.00 C ATOM 380 CD LYS A 557 0.968 -2.570 -2.222 1.00 0.00 C ATOM 381 CE LYS A 557 1.435 -3.984 -1.916 1.00 0.00 C ATOM 382 NZ LYS A 557 1.714 -4.758 -3.158 1.00 0.00 N ATOM 0 H LYS A 557 4.654 0.085 -0.852 1.00 0.00 H new ATOM 0 HA LYS A 557 3.181 -0.927 -2.847 1.00 0.00 H new ATOM 0 HB2 LYS A 557 3.164 -1.948 -0.684 1.00 0.00 H new ATOM 0 HB3 LYS A 557 2.505 -0.515 0.079 1.00 0.00 H new ATOM 0 HG2 LYS A 557 0.784 -2.237 -0.109 1.00 0.00 H new ATOM 0 HG3 LYS A 557 0.358 -0.850 -1.092 1.00 0.00 H new ATOM 0 HD2 LYS A 557 -0.063 -2.595 -2.574 1.00 0.00 H new ATOM 0 HD3 LYS A 557 1.571 -2.153 -3.029 1.00 0.00 H new ATOM 0 HE2 LYS A 557 2.335 -3.944 -1.303 1.00 0.00 H new ATOM 0 HE3 LYS A 557 0.673 -4.499 -1.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 557 2.030 -5.716 -2.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 557 0.848 -4.818 -3.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 557 2.459 -4.281 -3.705 1.00 0.00 H new ATOM 396 N PHE A 558 1.514 1.641 -1.581 1.00 0.00 N ATOM 397 CA PHE A 558 0.470 2.616 -1.875 1.00 0.00 C ATOM 398 C PHE A 558 0.962 3.653 -2.880 1.00 0.00 C ATOM 399 O PHE A 558 0.167 4.320 -3.541 1.00 0.00 O ATOM 400 CB PHE A 558 0.015 3.311 -0.590 1.00 0.00 C ATOM 401 CG PHE A 558 -0.865 2.455 0.275 1.00 0.00 C ATOM 402 CD1 PHE A 558 -0.458 1.188 0.661 1.00 0.00 C ATOM 403 CD2 PHE A 558 -2.099 2.917 0.703 1.00 0.00 C ATOM 404 CE1 PHE A 558 -1.266 0.398 1.456 1.00 0.00 C ATOM 405 CE2 PHE A 558 -2.911 2.131 1.499 1.00 0.00 C ATOM 406 CZ PHE A 558 -2.493 0.870 1.877 1.00 0.00 C ATOM 0 H PHE A 558 1.963 1.764 -0.673 1.00 0.00 H new ATOM 0 HA PHE A 558 -0.376 2.085 -2.312 1.00 0.00 H new ATOM 0 HB2 PHE A 558 0.893 3.610 -0.018 1.00 0.00 H new ATOM 0 HB3 PHE A 558 -0.522 4.223 -0.850 1.00 0.00 H new ATOM 0 HD1 PHE A 558 0.502 0.814 0.337 1.00 0.00 H new ATOM 0 HD2 PHE A 558 -2.430 3.903 0.411 1.00 0.00 H new ATOM 0 HE1 PHE A 558 -0.938 -0.589 1.748 1.00 0.00 H new ATOM 0 HE2 PHE A 558 -3.871 2.503 1.825 1.00 0.00 H new ATOM 0 HZ PHE A 558 -3.125 0.255 2.501 1.00 0.00 H new ATOM 416 N ASN A 559 2.281 3.784 -2.990 1.00 0.00 N ATOM 417 CA ASN A 559 2.880 4.740 -3.913 1.00 0.00 C ATOM 418 C ASN A 559 2.378 4.511 -5.335 1.00 0.00 C ATOM 419 O ASN A 559 2.395 5.421 -6.163 1.00 0.00 O ATOM 420 CB ASN A 559 4.406 4.629 -3.875 1.00 0.00 C ATOM 421 CG ASN A 559 5.089 5.844 -4.472 1.00 0.00 C ATOM 422 OD1 ASN A 559 4.728 6.983 -4.173 1.00 0.00 O ATOM 423 ND2 ASN A 559 6.082 5.607 -5.322 1.00 0.00 N ATOM 0 H ASN A 559 2.954 3.240 -2.451 1.00 0.00 H new ATOM 0 HA ASN A 559 2.587 5.742 -3.600 1.00 0.00 H new ATOM 0 HB2 ASN A 559 4.733 4.502 -2.843 1.00 0.00 H new ATOM 0 HB3 ASN A 559 4.716 3.737 -4.419 1.00 0.00 H new ATOM 0 HD21 ASN A 559 6.579 6.385 -5.756 1.00 0.00 H new ATOM 0 HD22 ASN A 559 6.348 4.647 -5.541 1.00 0.00 H new ATOM 430 N GLU A 560 1.930 3.290 -5.610 1.00 0.00 N ATOM 431 CA GLU A 560 1.423 2.942 -6.932 1.00 0.00 C ATOM 432 C GLU A 560 0.083 3.622 -7.197 1.00 0.00 C ATOM 433 O GLU A 560 -0.148 4.164 -8.278 1.00 0.00 O ATOM 434 CB GLU A 560 1.273 1.425 -7.063 1.00 0.00 C ATOM 435 CG GLU A 560 2.598 0.689 -7.165 1.00 0.00 C ATOM 436 CD GLU A 560 2.428 -0.818 -7.186 1.00 0.00 C ATOM 437 OE1 GLU A 560 1.708 -1.347 -6.314 1.00 0.00 O ATOM 438 OE2 GLU A 560 3.015 -1.468 -8.077 1.00 0.00 O ATOM 0 H GLU A 560 1.908 2.526 -4.935 1.00 0.00 H new ATOM 0 HA GLU A 560 2.142 3.293 -7.672 1.00 0.00 H new ATOM 0 HB2 GLU A 560 0.722 1.047 -6.201 1.00 0.00 H new ATOM 0 HB3 GLU A 560 0.674 1.202 -7.946 1.00 0.00 H new ATOM 0 HG2 GLU A 560 3.116 1.005 -8.070 1.00 0.00 H new ATOM 0 HG3 GLU A 560 3.230 0.968 -6.322 1.00 0.00 H new ATOM 445 N CYS A 561 -0.797 3.588 -6.202 1.00 0.00 N ATOM 446 CA CYS A 561 -2.116 4.199 -6.327 1.00 0.00 C ATOM 447 C CYS A 561 -2.000 5.708 -6.519 1.00 0.00 C ATOM 448 O CYS A 561 -2.549 6.267 -7.467 1.00 0.00 O ATOM 449 CB CYS A 561 -2.961 3.895 -5.089 1.00 0.00 C ATOM 450 SG CYS A 561 -3.216 2.130 -4.786 1.00 0.00 S ATOM 0 H CYS A 561 -0.621 3.144 -5.301 1.00 0.00 H new ATOM 0 HA CYS A 561 -2.604 3.775 -7.205 1.00 0.00 H new ATOM 0 HB2 CYS A 561 -2.480 4.337 -4.216 1.00 0.00 H new ATOM 0 HB3 CYS A 561 -3.932 4.378 -5.197 1.00 0.00 H new ATOM 0 HG CYS A 561 -3.242 1.909 -3.505 1.00 0.00 H new ATOM 456 N GLY A 562 -1.281 6.362 -5.611 1.00 0.00 N ATOM 457 CA GLY A 562 -1.108 7.800 -5.698 1.00 0.00 C ATOM 458 C GLY A 562 0.130 8.280 -4.966 1.00 0.00 C ATOM 459 O GLY A 562 0.818 7.494 -4.314 1.00 0.00 O ATOM 0 H GLY A 562 -0.816 5.921 -4.817 1.00 0.00 H new ATOM 0 HA2 GLY A 562 -1.043 8.092 -6.746 1.00 0.00 H new ATOM 0 HA3 GLY A 562 -1.986 8.294 -5.283 1.00 0.00 H new ATOM 463 N HIS A 563 0.415 9.574 -5.075 1.00 0.00 N ATOM 464 CA HIS A 563 1.580 10.157 -4.419 1.00 0.00 C ATOM 465 C HIS A 563 1.440 10.088 -2.901 1.00 0.00 C ATOM 466 O HIS A 563 0.488 10.620 -2.330 1.00 0.00 O ATOM 467 CB HIS A 563 1.766 11.610 -4.860 1.00 0.00 C ATOM 468 CG HIS A 563 2.982 12.261 -4.277 1.00 0.00 C ATOM 469 ND1 HIS A 563 3.459 12.273 -3.011 1.00 0.00 N flip ATOM 470 CD2 HIS A 563 3.865 13.012 -5.025 1.00 0.00 C flip ATOM 471 CE1 HIS A 563 4.611 13.022 -3.017 1.00 0.00 C flip ATOM 472 NE2 HIS A 563 4.833 13.456 -4.244 1.00 0.00 N flip ATOM 0 H HIS A 563 -0.144 10.238 -5.611 1.00 0.00 H new ATOM 0 HA HIS A 563 2.458 9.581 -4.712 1.00 0.00 H new ATOM 0 HB2 HIS A 563 1.831 11.646 -5.947 1.00 0.00 H new ATOM 0 HB3 HIS A 563 0.884 12.184 -4.574 1.00 0.00 H new ATOM 0 HD2 HIS A 563 3.778 13.206 -6.084 1.00 0.00 H new ATOM 0 HE1 HIS A 563 5.234 13.223 -2.158 1.00 0.00 H new ATOM 0 HE2 HIS A 563 5.619 14.036 -4.539 1.00 0.00 H new ATOM 481 N VAL A 564 2.395 9.428 -2.253 1.00 0.00 N ATOM 482 CA VAL A 564 2.378 9.289 -0.802 1.00 0.00 C ATOM 483 C VAL A 564 3.190 10.394 -0.135 1.00 0.00 C ATOM 484 O VAL A 564 4.283 10.737 -0.588 1.00 0.00 O ATOM 485 CB VAL A 564 2.935 7.922 -0.362 1.00 0.00 C ATOM 486 CG1 VAL A 564 3.236 7.922 1.129 1.00 0.00 C ATOM 487 CG2 VAL A 564 1.958 6.811 -0.718 1.00 0.00 C ATOM 0 H VAL A 564 3.190 8.981 -2.710 1.00 0.00 H new ATOM 0 HA VAL A 564 1.337 9.367 -0.489 1.00 0.00 H new ATOM 0 HB VAL A 564 3.868 7.740 -0.895 1.00 0.00 H new ATOM 0 HG11 VAL A 564 3.629 6.948 1.421 1.00 0.00 H new ATOM 0 HG12 VAL A 564 3.975 8.692 1.351 1.00 0.00 H new ATOM 0 HG13 VAL A 564 2.321 8.126 1.685 1.00 0.00 H new ATOM 0 HG21 VAL A 564 2.367 5.852 -0.400 1.00 0.00 H new ATOM 0 HG22 VAL A 564 1.008 6.986 -0.213 1.00 0.00 H new ATOM 0 HG23 VAL A 564 1.799 6.798 -1.796 1.00 0.00 H new ATOM 497 N LEU A 565 2.650 10.948 0.945 1.00 0.00 N ATOM 498 CA LEU A 565 3.324 12.015 1.677 1.00 0.00 C ATOM 499 C LEU A 565 3.839 11.512 3.021 1.00 0.00 C ATOM 500 O LEU A 565 4.932 11.877 3.455 1.00 0.00 O ATOM 501 CB LEU A 565 2.373 13.193 1.891 1.00 0.00 C ATOM 502 CG LEU A 565 1.871 13.890 0.625 1.00 0.00 C ATOM 503 CD1 LEU A 565 0.796 14.909 0.967 1.00 0.00 C ATOM 504 CD2 LEU A 565 3.026 14.555 -0.110 1.00 0.00 C ATOM 0 H LEU A 565 1.747 10.676 1.333 1.00 0.00 H new ATOM 0 HA LEU A 565 4.176 12.347 1.084 1.00 0.00 H new ATOM 0 HB2 LEU A 565 1.509 12.839 2.453 1.00 0.00 H new ATOM 0 HB3 LEU A 565 2.877 13.933 2.513 1.00 0.00 H new ATOM 0 HG LEU A 565 1.433 13.138 -0.032 1.00 0.00 H new ATOM 0 HD11 LEU A 565 0.451 15.394 0.054 1.00 0.00 H new ATOM 0 HD12 LEU A 565 -0.042 14.406 1.449 1.00 0.00 H new ATOM 0 HD13 LEU A 565 1.207 15.658 1.643 1.00 0.00 H new ATOM 0 HD21 LEU A 565 2.651 15.046 -1.008 1.00 0.00 H new ATOM 0 HD22 LEU A 565 3.493 15.295 0.540 1.00 0.00 H new ATOM 0 HD23 LEU A 565 3.762 13.801 -0.389 1.00 0.00 H new ATOM 516 N TYR A 566 3.046 10.670 3.675 1.00 0.00 N ATOM 517 CA TYR A 566 3.422 10.117 4.971 1.00 0.00 C ATOM 518 C TYR A 566 3.131 8.620 5.029 1.00 0.00 C ATOM 519 O TYR A 566 2.250 8.120 4.330 1.00 0.00 O ATOM 520 CB TYR A 566 2.673 10.837 6.093 1.00 0.00 C ATOM 521 CG TYR A 566 2.930 10.253 7.464 1.00 0.00 C ATOM 522 CD1 TYR A 566 4.191 10.318 8.043 1.00 0.00 C ATOM 523 CD2 TYR A 566 1.911 9.638 8.181 1.00 0.00 C ATOM 524 CE1 TYR A 566 4.430 9.786 9.295 1.00 0.00 C ATOM 525 CE2 TYR A 566 2.140 9.104 9.434 1.00 0.00 C ATOM 526 CZ TYR A 566 3.402 9.180 9.987 1.00 0.00 C ATOM 527 OH TYR A 566 3.636 8.650 11.235 1.00 0.00 O ATOM 0 H TYR A 566 2.139 10.356 3.329 1.00 0.00 H new ATOM 0 HA TYR A 566 4.493 10.266 5.105 1.00 0.00 H new ATOM 0 HB2 TYR A 566 2.962 11.888 6.095 1.00 0.00 H new ATOM 0 HB3 TYR A 566 1.603 10.801 5.886 1.00 0.00 H new ATOM 0 HD1 TYR A 566 4.998 10.793 7.505 1.00 0.00 H new ATOM 0 HD2 TYR A 566 0.922 9.576 7.751 1.00 0.00 H new ATOM 0 HE1 TYR A 566 5.417 9.844 9.730 1.00 0.00 H new ATOM 0 HE2 TYR A 566 1.336 8.630 9.978 1.00 0.00 H new ATOM 0 HH TYR A 566 2.808 8.261 11.586 1.00 0.00 H new ATOM 537 N ALA A 567 3.879 7.911 5.868 1.00 0.00 N ATOM 538 CA ALA A 567 3.701 6.472 6.021 1.00 0.00 C ATOM 539 C ALA A 567 4.420 5.959 7.264 1.00 0.00 C ATOM 540 O ALA A 567 5.637 6.096 7.389 1.00 0.00 O ATOM 541 CB ALA A 567 4.201 5.744 4.781 1.00 0.00 C ATOM 0 H ALA A 567 4.614 8.310 6.452 1.00 0.00 H new ATOM 0 HA ALA A 567 2.636 6.273 6.141 1.00 0.00 H new ATOM 0 HB1 ALA A 567 4.062 4.670 4.909 1.00 0.00 H new ATOM 0 HB2 ALA A 567 3.640 6.081 3.910 1.00 0.00 H new ATOM 0 HB3 ALA A 567 5.260 5.958 4.636 1.00 0.00 H new ATOM 547 N ASP A 568 3.660 5.369 8.179 1.00 0.00 N ATOM 548 CA ASP A 568 4.225 4.834 9.413 1.00 0.00 C ATOM 549 C ASP A 568 3.407 3.650 9.917 1.00 0.00 C ATOM 550 O ASP A 568 2.186 3.613 9.757 1.00 0.00 O ATOM 551 CB ASP A 568 4.284 5.923 10.486 1.00 0.00 C ATOM 552 CG ASP A 568 5.236 5.574 11.613 1.00 0.00 C ATOM 553 OD1 ASP A 568 6.446 5.426 11.343 1.00 0.00 O ATOM 554 OD2 ASP A 568 4.771 5.449 12.765 1.00 0.00 O ATOM 0 H ASP A 568 2.651 5.249 8.090 1.00 0.00 H new ATOM 0 HA ASP A 568 5.237 4.489 9.200 1.00 0.00 H new ATOM 0 HB2 ASP A 568 4.595 6.863 10.029 1.00 0.00 H new ATOM 0 HB3 ASP A 568 3.286 6.082 10.894 1.00 0.00 H new ATOM 559 N ILE A 569 4.086 2.684 10.526 1.00 0.00 N ATOM 560 CA ILE A 569 3.422 1.498 11.053 1.00 0.00 C ATOM 561 C ILE A 569 3.187 1.622 12.555 1.00 0.00 C ATOM 562 O ILE A 569 4.120 1.512 13.351 1.00 0.00 O ATOM 563 CB ILE A 569 4.241 0.224 10.776 1.00 0.00 C ATOM 564 CG1 ILE A 569 4.395 0.008 9.269 1.00 0.00 C ATOM 565 CG2 ILE A 569 3.578 -0.983 11.424 1.00 0.00 C ATOM 566 CD1 ILE A 569 3.111 -0.404 8.583 1.00 0.00 C ATOM 0 H ILE A 569 5.096 2.699 10.667 1.00 0.00 H new ATOM 0 HA ILE A 569 2.462 1.420 10.542 1.00 0.00 H new ATOM 0 HB ILE A 569 5.233 0.346 11.210 1.00 0.00 H new ATOM 0 HG12 ILE A 569 4.761 0.928 8.814 1.00 0.00 H new ATOM 0 HG13 ILE A 569 5.152 -0.757 9.095 1.00 0.00 H new ATOM 0 HG21 ILE A 569 4.169 -1.876 11.219 1.00 0.00 H new ATOM 0 HG22 ILE A 569 3.515 -0.829 12.501 1.00 0.00 H new ATOM 0 HG23 ILE A 569 2.575 -1.110 11.016 1.00 0.00 H new ATOM 0 HD11 ILE A 569 3.295 -0.539 7.517 1.00 0.00 H new ATOM 0 HD12 ILE A 569 2.754 -1.341 9.011 1.00 0.00 H new ATOM 0 HD13 ILE A 569 2.358 0.371 8.726 1.00 0.00 H new ATOM 578 N LYS A 570 1.935 1.850 12.936 1.00 0.00 N ATOM 579 CA LYS A 570 1.575 1.985 14.342 1.00 0.00 C ATOM 580 C LYS A 570 2.041 0.773 15.142 1.00 0.00 C ATOM 581 O LYS A 570 1.456 -0.306 15.048 1.00 0.00 O ATOM 582 CB LYS A 570 0.061 2.155 14.488 1.00 0.00 C ATOM 583 CG LYS A 570 -0.482 3.390 13.791 1.00 0.00 C ATOM 584 CD LYS A 570 -0.177 4.654 14.576 1.00 0.00 C ATOM 585 CE LYS A 570 -0.212 5.886 13.685 1.00 0.00 C ATOM 586 NZ LYS A 570 -1.605 6.347 13.430 1.00 0.00 N ATOM 0 H LYS A 570 1.152 1.945 12.290 1.00 0.00 H new ATOM 0 HA LYS A 570 2.073 2.871 14.735 1.00 0.00 H new ATOM 0 HB2 LYS A 570 -0.436 1.273 14.085 1.00 0.00 H new ATOM 0 HB3 LYS A 570 -0.190 2.206 15.547 1.00 0.00 H new ATOM 0 HG2 LYS A 570 -0.048 3.466 12.794 1.00 0.00 H new ATOM 0 HG3 LYS A 570 -1.560 3.292 13.663 1.00 0.00 H new ATOM 0 HD2 LYS A 570 -0.902 4.766 15.382 1.00 0.00 H new ATOM 0 HD3 LYS A 570 0.805 4.567 15.040 1.00 0.00 H new ATOM 0 HE2 LYS A 570 0.356 6.689 14.154 1.00 0.00 H new ATOM 0 HE3 LYS A 570 0.276 5.662 12.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 570 -1.586 7.188 12.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 570 -2.141 5.590 12.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 570 -2.063 6.585 14.333 1.00 0.00 H new ATOM 686 N LYS A 577 1.137 -4.021 15.316 1.00 0.00 N ATOM 687 CA LYS A 577 -0.227 -4.529 15.397 1.00 0.00 C ATOM 688 C LYS A 577 -0.856 -4.621 14.010 1.00 0.00 C ATOM 689 O LYS A 577 -2.074 -4.727 13.875 1.00 0.00 O ATOM 690 CB LYS A 577 -1.077 -3.626 16.294 1.00 0.00 C ATOM 691 CG LYS A 577 -0.510 -3.452 17.692 1.00 0.00 C ATOM 692 CD LYS A 577 -0.468 -4.770 18.446 1.00 0.00 C ATOM 693 CE LYS A 577 -1.867 -5.305 18.712 1.00 0.00 C ATOM 694 NZ LYS A 577 -1.898 -6.220 19.886 1.00 0.00 N ATOM 0 HA LYS A 577 -0.191 -5.529 15.828 1.00 0.00 H new ATOM 0 HB2 LYS A 577 -1.172 -2.647 15.825 1.00 0.00 H new ATOM 0 HB3 LYS A 577 -2.082 -4.043 16.367 1.00 0.00 H new ATOM 0 HG2 LYS A 577 0.496 -3.036 17.628 1.00 0.00 H new ATOM 0 HG3 LYS A 577 -1.117 -2.735 18.245 1.00 0.00 H new ATOM 0 HD2 LYS A 577 0.099 -5.502 17.871 1.00 0.00 H new ATOM 0 HD3 LYS A 577 0.056 -4.633 19.392 1.00 0.00 H new ATOM 0 HE2 LYS A 577 -2.548 -4.471 18.884 1.00 0.00 H new ATOM 0 HE3 LYS A 577 -2.227 -5.834 17.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 577 -2.869 -6.563 20.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 577 -1.268 -7.029 19.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 577 -1.579 -5.708 20.733 1.00 0.00 H new ATOM 708 N GLY A 578 -0.015 -4.582 12.980 1.00 0.00 N ATOM 709 CA GLY A 578 -0.507 -4.664 11.617 1.00 0.00 C ATOM 710 C GLY A 578 -1.467 -3.541 11.279 1.00 0.00 C ATOM 711 O GLY A 578 -2.521 -3.773 10.685 1.00 0.00 O ATOM 0 H GLY A 578 0.998 -4.495 13.066 1.00 0.00 H new ATOM 0 HA2 GLY A 578 0.337 -4.637 10.927 1.00 0.00 H new ATOM 0 HA3 GLY A 578 -1.007 -5.622 11.471 1.00 0.00 H new ATOM 715 N CYS A 579 -1.104 -2.321 11.658 1.00 0.00 N ATOM 716 CA CYS A 579 -1.943 -1.157 11.394 1.00 0.00 C ATOM 717 C CYS A 579 -1.089 0.078 11.125 1.00 0.00 C ATOM 718 O CYS A 579 -0.033 0.259 11.729 1.00 0.00 O ATOM 719 CB CYS A 579 -2.879 -0.898 12.575 1.00 0.00 C ATOM 720 SG CYS A 579 -2.037 -0.767 14.169 1.00 0.00 S ATOM 0 H CYS A 579 -0.235 -2.112 12.149 1.00 0.00 H new ATOM 0 HA CYS A 579 -2.540 -1.364 10.506 1.00 0.00 H new ATOM 0 HB2 CYS A 579 -3.432 0.023 12.391 1.00 0.00 H new ATOM 0 HB3 CYS A 579 -3.611 -1.704 12.628 1.00 0.00 H new ATOM 0 HG CYS A 579 -2.912 -0.546 15.105 1.00 0.00 H new ATOM 726 N GLY A 580 -1.555 0.926 10.212 1.00 0.00 N ATOM 727 CA GLY A 580 -0.821 2.133 9.878 1.00 0.00 C ATOM 728 C GLY A 580 -1.693 3.174 9.204 1.00 0.00 C ATOM 729 O GLY A 580 -2.912 3.019 9.129 1.00 0.00 O ATOM 0 H GLY A 580 -2.427 0.799 9.698 1.00 0.00 H new ATOM 0 HA2 GLY A 580 -0.391 2.556 10.786 1.00 0.00 H new ATOM 0 HA3 GLY A 580 0.010 1.879 9.220 1.00 0.00 H new ATOM 733 N VAL A 581 -1.068 4.239 8.714 1.00 0.00 N ATOM 734 CA VAL A 581 -1.794 5.311 8.043 1.00 0.00 C ATOM 735 C VAL A 581 -1.040 5.799 6.812 1.00 0.00 C ATOM 736 O VAL A 581 0.190 5.780 6.775 1.00 0.00 O ATOM 737 CB VAL A 581 -2.037 6.502 8.989 1.00 0.00 C ATOM 738 CG1 VAL A 581 -3.203 6.213 9.923 1.00 0.00 C ATOM 739 CG2 VAL A 581 -0.777 6.820 9.779 1.00 0.00 C ATOM 0 H VAL A 581 -0.060 4.383 8.769 1.00 0.00 H new ATOM 0 HA VAL A 581 -2.755 4.898 7.736 1.00 0.00 H new ATOM 0 HB VAL A 581 -2.292 7.375 8.388 1.00 0.00 H new ATOM 0 HG11 VAL A 581 -3.360 7.066 10.584 1.00 0.00 H new ATOM 0 HG12 VAL A 581 -4.105 6.038 9.336 1.00 0.00 H new ATOM 0 HG13 VAL A 581 -2.981 5.328 10.519 1.00 0.00 H new ATOM 0 HG21 VAL A 581 -0.967 7.664 10.442 1.00 0.00 H new ATOM 0 HG22 VAL A 581 -0.490 5.951 10.371 1.00 0.00 H new ATOM 0 HG23 VAL A 581 0.030 7.073 9.091 1.00 0.00 H new ATOM 749 N VAL A 582 -1.786 6.239 5.803 1.00 0.00 N ATOM 750 CA VAL A 582 -1.189 6.735 4.569 1.00 0.00 C ATOM 751 C VAL A 582 -1.855 8.029 4.117 1.00 0.00 C ATOM 752 O VAL A 582 -3.078 8.105 4.006 1.00 0.00 O ATOM 753 CB VAL A 582 -1.293 5.695 3.437 1.00 0.00 C ATOM 754 CG1 VAL A 582 -0.756 6.268 2.135 1.00 0.00 C ATOM 755 CG2 VAL A 582 -0.551 4.421 3.815 1.00 0.00 C ATOM 0 H VAL A 582 -2.806 6.262 5.817 1.00 0.00 H new ATOM 0 HA VAL A 582 -0.137 6.926 4.782 1.00 0.00 H new ATOM 0 HB VAL A 582 -2.344 5.446 3.290 1.00 0.00 H new ATOM 0 HG11 VAL A 582 -0.838 5.519 1.347 1.00 0.00 H new ATOM 0 HG12 VAL A 582 -1.335 7.150 1.859 1.00 0.00 H new ATOM 0 HG13 VAL A 582 0.290 6.546 2.264 1.00 0.00 H new ATOM 0 HG21 VAL A 582 -0.635 3.697 3.004 1.00 0.00 H new ATOM 0 HG22 VAL A 582 0.500 4.650 3.990 1.00 0.00 H new ATOM 0 HG23 VAL A 582 -0.986 4.002 4.722 1.00 0.00 H new ATOM 765 N LYS A 583 -1.041 9.047 3.858 1.00 0.00 N ATOM 766 CA LYS A 583 -1.550 10.340 3.416 1.00 0.00 C ATOM 767 C LYS A 583 -1.276 10.554 1.931 1.00 0.00 C ATOM 768 O LYS A 583 -0.358 9.958 1.366 1.00 0.00 O ATOM 769 CB LYS A 583 -0.911 11.468 4.230 1.00 0.00 C ATOM 770 CG LYS A 583 -1.709 11.854 5.464 1.00 0.00 C ATOM 771 CD LYS A 583 -1.289 11.040 6.677 1.00 0.00 C ATOM 772 CE LYS A 583 -1.789 11.667 7.969 1.00 0.00 C ATOM 773 NZ LYS A 583 -1.965 10.653 9.046 1.00 0.00 N ATOM 0 H LYS A 583 -0.026 9.001 3.947 1.00 0.00 H new ATOM 0 HA LYS A 583 -2.628 10.351 3.574 1.00 0.00 H new ATOM 0 HB2 LYS A 583 0.090 11.163 4.535 1.00 0.00 H new ATOM 0 HB3 LYS A 583 -0.796 12.345 3.593 1.00 0.00 H new ATOM 0 HG2 LYS A 583 -1.570 12.915 5.671 1.00 0.00 H new ATOM 0 HG3 LYS A 583 -2.771 11.703 5.273 1.00 0.00 H new ATOM 0 HD2 LYS A 583 -1.679 10.026 6.589 1.00 0.00 H new ATOM 0 HD3 LYS A 583 -0.202 10.962 6.706 1.00 0.00 H new ATOM 0 HE2 LYS A 583 -1.083 12.429 8.300 1.00 0.00 H new ATOM 0 HE3 LYS A 583 -2.738 12.170 7.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 583 -2.307 11.120 9.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 583 -2.657 9.939 8.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 583 -1.054 10.191 9.240 1.00 0.00 H new ATOM 787 N PHE A 584 -2.077 11.408 1.303 1.00 0.00 N ATOM 788 CA PHE A 584 -1.921 11.701 -0.117 1.00 0.00 C ATOM 789 C PHE A 584 -1.973 13.205 -0.371 1.00 0.00 C ATOM 790 O PHE A 584 -2.180 13.993 0.550 1.00 0.00 O ATOM 791 CB PHE A 584 -3.011 10.997 -0.927 1.00 0.00 C ATOM 792 CG PHE A 584 -2.946 9.499 -0.847 1.00 0.00 C ATOM 793 CD1 PHE A 584 -3.624 8.815 0.149 1.00 0.00 C ATOM 794 CD2 PHE A 584 -2.206 8.774 -1.767 1.00 0.00 C ATOM 795 CE1 PHE A 584 -3.564 7.436 0.226 1.00 0.00 C ATOM 796 CE2 PHE A 584 -2.143 7.395 -1.696 1.00 0.00 C ATOM 797 CZ PHE A 584 -2.824 6.726 -0.698 1.00 0.00 C ATOM 0 H PHE A 584 -2.841 11.910 1.755 1.00 0.00 H new ATOM 0 HA PHE A 584 -0.946 11.331 -0.434 1.00 0.00 H new ATOM 0 HB2 PHE A 584 -3.987 11.329 -0.573 1.00 0.00 H new ATOM 0 HB3 PHE A 584 -2.930 11.301 -1.971 1.00 0.00 H new ATOM 0 HD1 PHE A 584 -4.206 9.365 0.873 1.00 0.00 H new ATOM 0 HD2 PHE A 584 -1.672 9.293 -2.549 1.00 0.00 H new ATOM 0 HE1 PHE A 584 -4.096 6.915 1.008 1.00 0.00 H new ATOM 0 HE2 PHE A 584 -1.562 6.842 -2.419 1.00 0.00 H new ATOM 0 HZ PHE A 584 -2.778 5.649 -0.641 1.00 0.00 H new ATOM 807 N GLU A 585 -1.783 13.593 -1.628 1.00 0.00 N ATOM 808 CA GLU A 585 -1.806 15.002 -2.004 1.00 0.00 C ATOM 809 C GLU A 585 -3.240 15.491 -2.190 1.00 0.00 C ATOM 810 O GLU A 585 -3.577 16.614 -1.814 1.00 0.00 O ATOM 811 CB GLU A 585 -1.009 15.223 -3.291 1.00 0.00 C ATOM 812 CG GLU A 585 0.492 15.073 -3.110 1.00 0.00 C ATOM 813 CD GLU A 585 1.285 15.837 -4.153 1.00 0.00 C ATOM 814 OE1 GLU A 585 1.282 15.415 -5.328 1.00 0.00 O ATOM 815 OE2 GLU A 585 1.908 16.858 -3.793 1.00 0.00 O ATOM 0 H GLU A 585 -1.612 12.952 -2.403 1.00 0.00 H new ATOM 0 HA GLU A 585 -1.346 15.574 -1.198 1.00 0.00 H new ATOM 0 HB2 GLU A 585 -1.348 14.513 -4.045 1.00 0.00 H new ATOM 0 HB3 GLU A 585 -1.222 16.221 -3.674 1.00 0.00 H new ATOM 0 HG2 GLU A 585 0.771 15.425 -2.117 1.00 0.00 H new ATOM 0 HG3 GLU A 585 0.756 14.017 -3.160 1.00 0.00 H new ATOM 822 N SER A 586 -4.078 14.641 -2.774 1.00 0.00 N ATOM 823 CA SER A 586 -5.474 14.988 -3.015 1.00 0.00 C ATOM 824 C SER A 586 -6.403 14.098 -2.196 1.00 0.00 C ATOM 825 O SER A 586 -6.063 12.973 -1.827 1.00 0.00 O ATOM 826 CB SER A 586 -5.804 14.857 -4.503 1.00 0.00 C ATOM 827 OG SER A 586 -5.569 16.076 -5.187 1.00 0.00 O ATOM 0 H SER A 586 -3.815 13.707 -3.089 1.00 0.00 H new ATOM 0 HA SER A 586 -5.625 16.023 -2.707 1.00 0.00 H new ATOM 0 HB2 SER A 586 -5.198 14.066 -4.945 1.00 0.00 H new ATOM 0 HB3 SER A 586 -6.847 14.564 -4.623 1.00 0.00 H new ATOM 0 HG SER A 586 -5.786 15.965 -6.136 1.00 0.00 H new ATOM 833 N PRO A 587 -7.607 14.612 -1.903 1.00 0.00 N ATOM 834 CA PRO A 587 -8.612 13.881 -1.125 1.00 0.00 C ATOM 835 C PRO A 587 -9.195 12.700 -1.894 1.00 0.00 C ATOM 836 O PRO A 587 -9.527 11.671 -1.308 1.00 0.00 O ATOM 837 CB PRO A 587 -9.692 14.934 -0.864 1.00 0.00 C ATOM 838 CG PRO A 587 -9.547 15.911 -1.979 1.00 0.00 C ATOM 839 CD PRO A 587 -8.080 15.945 -2.310 1.00 0.00 C ATOM 0 HA PRO A 587 -8.190 13.449 -0.218 1.00 0.00 H new ATOM 0 HB2 PRO A 587 -10.686 14.487 -0.856 1.00 0.00 H new ATOM 0 HB3 PRO A 587 -9.550 15.414 0.104 1.00 0.00 H new ATOM 0 HG2 PRO A 587 -10.136 15.606 -2.844 1.00 0.00 H new ATOM 0 HG3 PRO A 587 -9.903 16.898 -1.683 1.00 0.00 H new ATOM 0 HD2 PRO A 587 -7.912 16.124 -3.372 1.00 0.00 H new ATOM 0 HD3 PRO A 587 -7.564 16.737 -1.768 1.00 0.00 H new ATOM 847 N GLU A 588 -9.314 12.856 -3.209 1.00 0.00 N ATOM 848 CA GLU A 588 -9.857 11.802 -4.057 1.00 0.00 C ATOM 849 C GLU A 588 -8.939 10.582 -4.063 1.00 0.00 C ATOM 850 O GLU A 588 -9.403 9.443 -4.099 1.00 0.00 O ATOM 851 CB GLU A 588 -10.051 12.315 -5.485 1.00 0.00 C ATOM 852 CG GLU A 588 -8.766 12.785 -6.144 1.00 0.00 C ATOM 853 CD GLU A 588 -8.982 13.275 -7.562 1.00 0.00 C ATOM 854 OE1 GLU A 588 -9.909 14.083 -7.777 1.00 0.00 O ATOM 855 OE2 GLU A 588 -8.223 12.850 -8.458 1.00 0.00 O ATOM 0 H GLU A 588 -9.042 13.702 -3.710 1.00 0.00 H new ATOM 0 HA GLU A 588 -10.824 11.506 -3.651 1.00 0.00 H new ATOM 0 HB2 GLU A 588 -10.490 11.522 -6.090 1.00 0.00 H new ATOM 0 HB3 GLU A 588 -10.765 13.139 -5.472 1.00 0.00 H new ATOM 0 HG2 GLU A 588 -8.330 13.587 -5.549 1.00 0.00 H new ATOM 0 HG3 GLU A 588 -8.046 11.967 -6.152 1.00 0.00 H new ATOM 862 N VAL A 589 -7.634 10.831 -4.029 1.00 0.00 N ATOM 863 CA VAL A 589 -6.650 9.755 -4.030 1.00 0.00 C ATOM 864 C VAL A 589 -6.678 8.983 -2.716 1.00 0.00 C ATOM 865 O VAL A 589 -6.449 7.775 -2.689 1.00 0.00 O ATOM 866 CB VAL A 589 -5.227 10.296 -4.265 1.00 0.00 C ATOM 867 CG1 VAL A 589 -4.234 9.150 -4.388 1.00 0.00 C ATOM 868 CG2 VAL A 589 -5.191 11.178 -5.504 1.00 0.00 C ATOM 0 H VAL A 589 -7.233 11.769 -4.000 1.00 0.00 H new ATOM 0 HA VAL A 589 -6.915 9.084 -4.847 1.00 0.00 H new ATOM 0 HB VAL A 589 -4.941 10.903 -3.406 1.00 0.00 H new ATOM 0 HG11 VAL A 589 -3.234 9.551 -4.554 1.00 0.00 H new ATOM 0 HG12 VAL A 589 -4.242 8.562 -3.470 1.00 0.00 H new ATOM 0 HG13 VAL A 589 -4.514 8.515 -5.228 1.00 0.00 H new ATOM 0 HG21 VAL A 589 -4.178 11.552 -5.655 1.00 0.00 H new ATOM 0 HG22 VAL A 589 -5.497 10.596 -6.374 1.00 0.00 H new ATOM 0 HG23 VAL A 589 -5.872 12.019 -5.372 1.00 0.00 H new ATOM 878 N ALA A 590 -6.960 9.691 -1.627 1.00 0.00 N ATOM 879 CA ALA A 590 -7.021 9.072 -0.309 1.00 0.00 C ATOM 880 C ALA A 590 -8.068 7.964 -0.270 1.00 0.00 C ATOM 881 O ALA A 590 -7.771 6.830 0.104 1.00 0.00 O ATOM 882 CB ALA A 590 -7.319 10.120 0.753 1.00 0.00 C ATOM 0 H ALA A 590 -7.150 10.693 -1.632 1.00 0.00 H new ATOM 0 HA ALA A 590 -6.049 8.625 -0.100 1.00 0.00 H new ATOM 0 HB1 ALA A 590 -7.362 9.644 1.732 1.00 0.00 H new ATOM 0 HB2 ALA A 590 -6.532 10.874 0.750 1.00 0.00 H new ATOM 0 HB3 ALA A 590 -8.277 10.594 0.538 1.00 0.00 H new ATOM 888 N GLU A 591 -9.294 8.301 -0.658 1.00 0.00 N ATOM 889 CA GLU A 591 -10.385 7.333 -0.666 1.00 0.00 C ATOM 890 C GLU A 591 -10.237 6.356 -1.829 1.00 0.00 C ATOM 891 O GLU A 591 -10.697 5.216 -1.757 1.00 0.00 O ATOM 892 CB GLU A 591 -11.733 8.052 -0.757 1.00 0.00 C ATOM 893 CG GLU A 591 -12.183 8.323 -2.182 1.00 0.00 C ATOM 894 CD GLU A 591 -13.042 9.567 -2.296 1.00 0.00 C ATOM 895 OE1 GLU A 591 -12.495 10.680 -2.151 1.00 0.00 O ATOM 896 OE2 GLU A 591 -14.261 9.428 -2.530 1.00 0.00 O ATOM 0 H GLU A 591 -9.557 9.236 -0.971 1.00 0.00 H new ATOM 0 HA GLU A 591 -10.344 6.770 0.266 1.00 0.00 H new ATOM 0 HB2 GLU A 591 -12.490 7.451 -0.254 1.00 0.00 H new ATOM 0 HB3 GLU A 591 -11.668 8.998 -0.219 1.00 0.00 H new ATOM 0 HG2 GLU A 591 -11.307 8.431 -2.821 1.00 0.00 H new ATOM 0 HG3 GLU A 591 -12.743 7.464 -2.552 1.00 0.00 H new ATOM 903 N ARG A 592 -9.594 6.811 -2.898 1.00 0.00 N ATOM 904 CA ARG A 592 -9.387 5.979 -4.078 1.00 0.00 C ATOM 905 C ARG A 592 -8.609 4.716 -3.722 1.00 0.00 C ATOM 906 O ARG A 592 -8.925 3.626 -4.198 1.00 0.00 O ATOM 907 CB ARG A 592 -8.640 6.764 -5.157 1.00 0.00 C ATOM 908 CG ARG A 592 -8.174 5.905 -6.322 1.00 0.00 C ATOM 909 CD ARG A 592 -7.019 6.556 -7.067 1.00 0.00 C ATOM 910 NE ARG A 592 -7.442 7.747 -7.799 1.00 0.00 N ATOM 911 CZ ARG A 592 -8.138 7.706 -8.930 1.00 0.00 C ATOM 912 NH1 ARG A 592 -8.488 6.540 -9.454 1.00 0.00 N ATOM 913 NH2 ARG A 592 -8.485 8.833 -9.537 1.00 0.00 N ATOM 0 H ARG A 592 -9.207 7.752 -2.972 1.00 0.00 H new ATOM 0 HA ARG A 592 -10.364 5.687 -4.462 1.00 0.00 H new ATOM 0 HB2 ARG A 592 -9.289 7.553 -5.535 1.00 0.00 H new ATOM 0 HB3 ARG A 592 -7.775 7.251 -4.707 1.00 0.00 H new ATOM 0 HG2 ARG A 592 -7.865 4.927 -5.954 1.00 0.00 H new ATOM 0 HG3 ARG A 592 -9.004 5.740 -7.009 1.00 0.00 H new ATOM 0 HD2 ARG A 592 -6.236 6.825 -6.358 1.00 0.00 H new ATOM 0 HD3 ARG A 592 -6.586 5.838 -7.763 1.00 0.00 H new ATOM 0 HE ARG A 592 -7.189 8.660 -7.421 1.00 0.00 H new ATOM 0 HH11 ARG A 592 -8.223 5.672 -8.989 1.00 0.00 H new ATOM 0 HH12 ARG A 592 -9.022 6.511 -10.322 1.00 0.00 H new ATOM 0 HH21 ARG A 592 -8.218 9.732 -9.136 1.00 0.00 H new ATOM 0 HH22 ARG A 592 -9.019 8.801 -10.405 1.00 0.00 H new ATOM 927 N ALA A 593 -7.591 4.871 -2.882 1.00 0.00 N ATOM 928 CA ALA A 593 -6.769 3.743 -2.461 1.00 0.00 C ATOM 929 C ALA A 593 -7.546 2.813 -1.535 1.00 0.00 C ATOM 930 O ALA A 593 -7.154 1.665 -1.320 1.00 0.00 O ATOM 931 CB ALA A 593 -5.504 4.238 -1.775 1.00 0.00 C ATOM 0 H ALA A 593 -7.316 5.767 -2.480 1.00 0.00 H new ATOM 0 HA ALA A 593 -6.489 3.178 -3.350 1.00 0.00 H new ATOM 0 HB1 ALA A 593 -4.900 3.385 -1.466 1.00 0.00 H new ATOM 0 HB2 ALA A 593 -4.932 4.856 -2.468 1.00 0.00 H new ATOM 0 HB3 ALA A 593 -5.772 4.829 -0.899 1.00 0.00 H new ATOM 937 N CYS A 594 -8.647 3.315 -0.988 1.00 0.00 N ATOM 938 CA CYS A 594 -9.478 2.530 -0.083 1.00 0.00 C ATOM 939 C CYS A 594 -10.314 1.514 -0.855 1.00 0.00 C ATOM 940 O CYS A 594 -10.763 0.512 -0.298 1.00 0.00 O ATOM 941 CB CYS A 594 -10.392 3.447 0.730 1.00 0.00 C ATOM 942 SG CYS A 594 -9.510 4.647 1.756 1.00 0.00 S ATOM 0 H CYS A 594 -8.985 4.263 -1.156 1.00 0.00 H new ATOM 0 HA CYS A 594 -8.819 1.990 0.597 1.00 0.00 H new ATOM 0 HB2 CYS A 594 -11.051 3.984 0.047 1.00 0.00 H new ATOM 0 HB3 CYS A 594 -11.027 2.835 1.370 1.00 0.00 H new ATOM 0 HG CYS A 594 -8.832 5.453 0.995 1.00 0.00 H new ATOM 948 N ARG A 595 -10.521 1.781 -2.141 1.00 0.00 N ATOM 949 CA ARG A 595 -11.305 0.893 -2.990 1.00 0.00 C ATOM 950 C ARG A 595 -10.407 -0.120 -3.693 1.00 0.00 C ATOM 951 O ARG A 595 -10.783 -1.278 -3.875 1.00 0.00 O ATOM 952 CB ARG A 595 -12.088 1.702 -4.025 1.00 0.00 C ATOM 953 CG ARG A 595 -13.186 2.563 -3.422 1.00 0.00 C ATOM 954 CD ARG A 595 -13.504 3.759 -4.305 1.00 0.00 C ATOM 955 NE ARG A 595 -14.027 3.355 -5.607 1.00 0.00 N ATOM 956 CZ ARG A 595 -15.296 3.027 -5.820 1.00 0.00 C ATOM 957 NH1 ARG A 595 -16.168 3.056 -4.822 1.00 0.00 N ATOM 958 NH2 ARG A 595 -15.696 2.670 -7.034 1.00 0.00 N ATOM 0 H ARG A 595 -10.156 2.606 -2.617 1.00 0.00 H new ATOM 0 HA ARG A 595 -12.007 0.351 -2.356 1.00 0.00 H new ATOM 0 HB2 ARG A 595 -11.396 2.342 -4.573 1.00 0.00 H new ATOM 0 HB3 ARG A 595 -12.531 1.018 -4.749 1.00 0.00 H new ATOM 0 HG2 ARG A 595 -14.085 1.963 -3.283 1.00 0.00 H new ATOM 0 HG3 ARG A 595 -12.878 2.909 -2.435 1.00 0.00 H new ATOM 0 HD2 ARG A 595 -14.233 4.396 -3.804 1.00 0.00 H new ATOM 0 HD3 ARG A 595 -12.603 4.355 -4.446 1.00 0.00 H new ATOM 0 HE ARG A 595 -13.382 3.323 -6.397 1.00 0.00 H new ATOM 0 HH11 ARG A 595 -15.865 3.331 -3.888 1.00 0.00 H new ATOM 0 HH12 ARG A 595 -17.142 2.804 -4.988 1.00 0.00 H new ATOM 0 HH21 ARG A 595 -15.028 2.647 -7.805 1.00 0.00 H new ATOM 0 HH22 ARG A 595 -16.671 2.418 -7.196 1.00 0.00 H new ATOM 972 N MET A 596 -9.218 0.324 -4.088 1.00 0.00 N ATOM 973 CA MET A 596 -8.266 -0.544 -4.771 1.00 0.00 C ATOM 974 C MET A 596 -7.567 -1.470 -3.781 1.00 0.00 C ATOM 975 O MET A 596 -7.511 -2.682 -3.983 1.00 0.00 O ATOM 976 CB MET A 596 -7.230 0.293 -5.524 1.00 0.00 C ATOM 977 CG MET A 596 -7.837 1.220 -6.564 1.00 0.00 C ATOM 978 SD MET A 596 -6.728 1.528 -7.952 1.00 0.00 S ATOM 979 CE MET A 596 -5.906 3.022 -7.403 1.00 0.00 C ATOM 0 H MET A 596 -8.891 1.280 -3.947 1.00 0.00 H new ATOM 0 HA MET A 596 -8.817 -1.155 -5.485 1.00 0.00 H new ATOM 0 HB2 MET A 596 -6.664 0.887 -4.806 1.00 0.00 H new ATOM 0 HB3 MET A 596 -6.522 -0.375 -6.014 1.00 0.00 H new ATOM 0 HG2 MET A 596 -8.765 0.785 -6.935 1.00 0.00 H new ATOM 0 HG3 MET A 596 -8.095 2.168 -6.093 1.00 0.00 H new ATOM 0 HE1 MET A 596 -5.956 3.775 -8.190 1.00 0.00 H new ATOM 0 HE2 MET A 596 -6.399 3.400 -6.507 1.00 0.00 H new ATOM 0 HE3 MET A 596 -4.863 2.801 -7.177 1.00 0.00 H new ATOM 989 N MET A 597 -7.034 -0.890 -2.710 1.00 0.00 N ATOM 990 CA MET A 597 -6.340 -1.664 -1.688 1.00 0.00 C ATOM 991 C MET A 597 -7.313 -2.563 -0.932 1.00 0.00 C ATOM 992 O MET A 597 -7.251 -3.787 -1.037 1.00 0.00 O ATOM 993 CB MET A 597 -5.624 -0.731 -0.709 1.00 0.00 C ATOM 994 CG MET A 597 -4.604 0.179 -1.374 1.00 0.00 C ATOM 995 SD MET A 597 -3.617 -0.675 -2.618 1.00 0.00 S ATOM 996 CE MET A 597 -2.029 -0.757 -1.793 1.00 0.00 C ATOM 0 H MET A 597 -7.070 0.113 -2.528 1.00 0.00 H new ATOM 0 HA MET A 597 -5.602 -2.294 -2.184 1.00 0.00 H new ATOM 0 HB2 MET A 597 -6.365 -0.119 -0.195 1.00 0.00 H new ATOM 0 HB3 MET A 597 -5.123 -1.330 0.051 1.00 0.00 H new ATOM 0 HG2 MET A 597 -5.121 1.018 -1.839 1.00 0.00 H new ATOM 0 HG3 MET A 597 -3.943 0.594 -0.613 1.00 0.00 H new ATOM 0 HE1 MET A 597 -1.486 -1.637 -2.136 1.00 0.00 H new ATOM 0 HE2 MET A 597 -1.452 0.138 -2.024 1.00 0.00 H new ATOM 0 HE3 MET A 597 -2.182 -0.822 -0.716 1.00 0.00 H new ATOM 1006 N ASN A 598 -8.210 -1.947 -0.169 1.00 0.00 N ATOM 1007 CA ASN A 598 -9.196 -2.693 0.605 1.00 0.00 C ATOM 1008 C ASN A 598 -9.627 -3.956 -0.135 1.00 0.00 C ATOM 1009 O ASN A 598 -10.369 -3.892 -1.114 1.00 0.00 O ATOM 1010 CB ASN A 598 -10.416 -1.817 0.895 1.00 0.00 C ATOM 1011 CG ASN A 598 -11.350 -2.444 1.911 1.00 0.00 C ATOM 1012 OD1 ASN A 598 -11.577 -3.654 1.899 1.00 0.00 O ATOM 1013 ND2 ASN A 598 -11.898 -1.622 2.798 1.00 0.00 N ATOM 0 H ASN A 598 -8.275 -0.934 -0.070 1.00 0.00 H new ATOM 0 HA ASN A 598 -8.735 -2.986 1.548 1.00 0.00 H new ATOM 0 HB2 ASN A 598 -10.084 -0.846 1.262 1.00 0.00 H new ATOM 0 HB3 ASN A 598 -10.960 -1.638 -0.032 1.00 0.00 H new ATOM 0 HD21 ASN A 598 -12.535 -1.987 3.506 1.00 0.00 H new ATOM 0 HD22 ASN A 598 -11.682 -0.626 2.771 1.00 0.00 H new ATOM 1020 N GLY A 599 -9.155 -5.104 0.342 1.00 0.00 N ATOM 1021 CA GLY A 599 -9.502 -6.366 -0.285 1.00 0.00 C ATOM 1022 C GLY A 599 -8.290 -7.098 -0.826 1.00 0.00 C ATOM 1023 O GLY A 599 -8.421 -8.134 -1.477 1.00 0.00 O ATOM 0 H GLY A 599 -8.539 -5.182 1.151 1.00 0.00 H new ATOM 0 HA2 GLY A 599 -10.012 -7.000 0.440 1.00 0.00 H new ATOM 0 HA3 GLY A 599 -10.205 -6.183 -1.098 1.00 0.00 H new ATOM 1027 N MET A 600 -7.106 -6.557 -0.557 1.00 0.00 N ATOM 1028 CA MET A 600 -5.865 -7.166 -1.022 1.00 0.00 C ATOM 1029 C MET A 600 -5.204 -7.971 0.092 1.00 0.00 C ATOM 1030 O MET A 600 -4.863 -7.430 1.145 1.00 0.00 O ATOM 1031 CB MET A 600 -4.903 -6.090 -1.530 1.00 0.00 C ATOM 1032 CG MET A 600 -4.303 -5.239 -0.422 1.00 0.00 C ATOM 1033 SD MET A 600 -3.357 -3.841 -1.055 1.00 0.00 S ATOM 1034 CE MET A 600 -2.335 -3.454 0.364 1.00 0.00 C ATOM 0 H MET A 600 -6.980 -5.699 -0.020 1.00 0.00 H new ATOM 0 HA MET A 600 -6.106 -7.843 -1.841 1.00 0.00 H new ATOM 0 HB2 MET A 600 -4.097 -6.568 -2.087 1.00 0.00 H new ATOM 0 HB3 MET A 600 -5.432 -5.442 -2.229 1.00 0.00 H new ATOM 0 HG2 MET A 600 -5.102 -4.871 0.221 1.00 0.00 H new ATOM 0 HG3 MET A 600 -3.656 -5.860 0.198 1.00 0.00 H new ATOM 0 HE1 MET A 600 -1.344 -3.149 0.027 1.00 0.00 H new ATOM 0 HE2 MET A 600 -2.791 -2.642 0.930 1.00 0.00 H new ATOM 0 HE3 MET A 600 -2.247 -4.335 1.000 1.00 0.00 H new ATOM 1044 N LYS A 601 -5.025 -9.266 -0.146 1.00 0.00 N ATOM 1045 CA LYS A 601 -4.403 -10.146 0.836 1.00 0.00 C ATOM 1046 C LYS A 601 -2.885 -10.141 0.688 1.00 0.00 C ATOM 1047 O LYS A 601 -2.340 -10.737 -0.241 1.00 0.00 O ATOM 1048 CB LYS A 601 -4.936 -11.572 0.683 1.00 0.00 C ATOM 1049 CG LYS A 601 -6.360 -11.747 1.182 1.00 0.00 C ATOM 1050 CD LYS A 601 -6.669 -13.202 1.489 1.00 0.00 C ATOM 1051 CE LYS A 601 -7.744 -13.331 2.557 1.00 0.00 C ATOM 1052 NZ LYS A 601 -8.308 -14.708 2.614 1.00 0.00 N ATOM 0 H LYS A 601 -5.302 -9.730 -1.011 1.00 0.00 H new ATOM 0 HA LYS A 601 -4.654 -9.775 1.830 1.00 0.00 H new ATOM 0 HB2 LYS A 601 -4.891 -11.857 -0.368 1.00 0.00 H new ATOM 0 HB3 LYS A 601 -4.283 -12.255 1.226 1.00 0.00 H new ATOM 0 HG2 LYS A 601 -6.509 -11.146 2.079 1.00 0.00 H new ATOM 0 HG3 LYS A 601 -7.058 -11.377 0.431 1.00 0.00 H new ATOM 0 HD2 LYS A 601 -6.997 -13.705 0.579 1.00 0.00 H new ATOM 0 HD3 LYS A 601 -5.761 -13.705 1.822 1.00 0.00 H new ATOM 0 HE2 LYS A 601 -7.324 -13.070 3.528 1.00 0.00 H new ATOM 0 HE3 LYS A 601 -8.544 -12.619 2.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 601 -9.037 -14.754 3.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 601 -8.732 -14.948 1.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 601 -7.549 -15.385 2.833 1.00 0.00 H new ATOM 1066 N LEU A 602 -2.208 -9.465 1.610 1.00 0.00 N ATOM 1067 CA LEU A 602 -0.752 -9.383 1.583 1.00 0.00 C ATOM 1068 C LEU A 602 -0.125 -10.645 2.168 1.00 0.00 C ATOM 1069 O LEU A 602 -0.147 -10.857 3.380 1.00 0.00 O ATOM 1070 CB LEU A 602 -0.276 -8.156 2.362 1.00 0.00 C ATOM 1071 CG LEU A 602 -0.953 -6.832 2.007 1.00 0.00 C ATOM 1072 CD1 LEU A 602 -0.425 -5.709 2.886 1.00 0.00 C ATOM 1073 CD2 LEU A 602 -0.745 -6.503 0.536 1.00 0.00 C ATOM 0 H LEU A 602 -2.644 -8.966 2.385 1.00 0.00 H new ATOM 0 HA LEU A 602 -0.437 -9.291 0.544 1.00 0.00 H new ATOM 0 HB2 LEU A 602 -0.426 -8.344 3.425 1.00 0.00 H new ATOM 0 HB3 LEU A 602 0.797 -8.046 2.207 1.00 0.00 H new ATOM 0 HG LEU A 602 -2.023 -6.934 2.188 1.00 0.00 H new ATOM 0 HD11 LEU A 602 -0.919 -4.775 2.618 1.00 0.00 H new ATOM 0 HD12 LEU A 602 -0.627 -5.940 3.932 1.00 0.00 H new ATOM 0 HD13 LEU A 602 0.650 -5.606 2.739 1.00 0.00 H new ATOM 0 HD21 LEU A 602 -1.234 -5.557 0.302 1.00 0.00 H new ATOM 0 HD22 LEU A 602 0.322 -6.421 0.329 1.00 0.00 H new ATOM 0 HD23 LEU A 602 -1.174 -7.295 -0.078 1.00 0.00 H new ATOM 1085 N SER A 603 0.436 -11.479 1.298 1.00 0.00 N ATOM 1086 CA SER A 603 1.068 -12.721 1.728 1.00 0.00 C ATOM 1087 C SER A 603 0.059 -13.633 2.418 1.00 0.00 C ATOM 1088 O SER A 603 0.426 -14.478 3.234 1.00 0.00 O ATOM 1089 CB SER A 603 2.235 -12.424 2.672 1.00 0.00 C ATOM 1090 OG SER A 603 3.231 -13.427 2.584 1.00 0.00 O ATOM 0 H SER A 603 0.466 -11.317 0.291 1.00 0.00 H new ATOM 0 HA SER A 603 1.447 -13.232 0.843 1.00 0.00 H new ATOM 0 HB2 SER A 603 2.668 -11.455 2.426 1.00 0.00 H new ATOM 0 HB3 SER A 603 1.870 -12.359 3.697 1.00 0.00 H new ATOM 0 HG SER A 603 3.966 -13.213 3.196 1.00 0.00 H new ATOM 1096 N GLY A 604 -1.215 -13.456 2.085 1.00 0.00 N ATOM 1097 CA GLY A 604 -2.259 -14.269 2.681 1.00 0.00 C ATOM 1098 C GLY A 604 -2.897 -13.603 3.884 1.00 0.00 C ATOM 1099 O GLY A 604 -3.388 -14.279 4.788 1.00 0.00 O ATOM 0 H GLY A 604 -1.544 -12.763 1.412 1.00 0.00 H new ATOM 0 HA2 GLY A 604 -3.026 -14.475 1.934 1.00 0.00 H new ATOM 0 HA3 GLY A 604 -1.840 -15.230 2.981 1.00 0.00 H new ATOM 1103 N ARG A 605 -2.890 -12.274 3.895 1.00 0.00 N ATOM 1104 CA ARG A 605 -3.470 -11.516 4.998 1.00 0.00 C ATOM 1105 C ARG A 605 -4.373 -10.403 4.476 1.00 0.00 C ATOM 1106 O ARG A 605 -3.902 -9.448 3.857 1.00 0.00 O ATOM 1107 CB ARG A 605 -2.365 -10.923 5.874 1.00 0.00 C ATOM 1108 CG ARG A 605 -1.639 -11.956 6.721 1.00 0.00 C ATOM 1109 CD ARG A 605 -1.136 -11.354 8.024 1.00 0.00 C ATOM 1110 NE ARG A 605 -0.748 -12.381 8.987 1.00 0.00 N ATOM 1111 CZ ARG A 605 0.444 -12.968 8.994 1.00 0.00 C ATOM 1112 NH1 ARG A 605 1.358 -12.632 8.095 1.00 0.00 N ATOM 1113 NH2 ARG A 605 0.723 -13.894 9.903 1.00 0.00 N ATOM 0 H ARG A 605 -2.489 -11.700 3.153 1.00 0.00 H new ATOM 0 HA ARG A 605 -4.073 -12.198 5.598 1.00 0.00 H new ATOM 0 HB2 ARG A 605 -1.641 -10.415 5.237 1.00 0.00 H new ATOM 0 HB3 ARG A 605 -2.799 -10.168 6.530 1.00 0.00 H new ATOM 0 HG2 ARG A 605 -2.310 -12.787 6.938 1.00 0.00 H new ATOM 0 HG3 ARG A 605 -0.799 -12.363 6.159 1.00 0.00 H new ATOM 0 HD2 ARG A 605 -0.282 -10.708 7.819 1.00 0.00 H new ATOM 0 HD3 ARG A 605 -1.914 -10.726 8.458 1.00 0.00 H new ATOM 0 HE ARG A 605 -1.429 -12.663 9.692 1.00 0.00 H new ATOM 0 HH11 ARG A 605 1.147 -11.921 7.395 1.00 0.00 H new ATOM 0 HH12 ARG A 605 2.272 -13.085 8.103 1.00 0.00 H new ATOM 0 HH21 ARG A 605 0.022 -14.155 10.597 1.00 0.00 H new ATOM 0 HH22 ARG A 605 1.638 -14.344 9.908 1.00 0.00 H new ATOM 1127 N GLU A 606 -5.671 -10.533 4.729 1.00 0.00 N ATOM 1128 CA GLU A 606 -6.639 -9.538 4.284 1.00 0.00 C ATOM 1129 C GLU A 606 -6.531 -8.263 5.115 1.00 0.00 C ATOM 1130 O GLU A 606 -6.223 -8.311 6.306 1.00 0.00 O ATOM 1131 CB GLU A 606 -8.060 -10.100 4.374 1.00 0.00 C ATOM 1132 CG GLU A 606 -8.992 -9.574 3.295 1.00 0.00 C ATOM 1133 CD GLU A 606 -10.436 -9.507 3.753 1.00 0.00 C ATOM 1134 OE1 GLU A 606 -10.920 -10.500 4.336 1.00 0.00 O ATOM 1135 OE2 GLU A 606 -11.081 -8.462 3.528 1.00 0.00 O ATOM 0 H GLU A 606 -6.076 -11.317 5.240 1.00 0.00 H new ATOM 0 HA GLU A 606 -6.418 -9.293 3.245 1.00 0.00 H new ATOM 0 HB2 GLU A 606 -8.017 -11.187 4.307 1.00 0.00 H new ATOM 0 HB3 GLU A 606 -8.476 -9.858 5.352 1.00 0.00 H new ATOM 0 HG2 GLU A 606 -8.665 -8.580 2.991 1.00 0.00 H new ATOM 0 HG3 GLU A 606 -8.923 -10.215 2.416 1.00 0.00 H new ATOM 1142 N ILE A 607 -6.787 -7.125 4.479 1.00 0.00 N ATOM 1143 CA ILE A 607 -6.719 -5.838 5.159 1.00 0.00 C ATOM 1144 C ILE A 607 -7.968 -5.006 4.888 1.00 0.00 C ATOM 1145 O ILE A 607 -8.603 -5.144 3.842 1.00 0.00 O ATOM 1146 CB ILE A 607 -5.478 -5.036 4.724 1.00 0.00 C ATOM 1147 CG1 ILE A 607 -5.265 -5.162 3.214 1.00 0.00 C ATOM 1148 CG2 ILE A 607 -4.247 -5.514 5.480 1.00 0.00 C ATOM 1149 CD1 ILE A 607 -3.946 -4.595 2.740 1.00 0.00 C ATOM 0 H ILE A 607 -7.043 -7.068 3.493 1.00 0.00 H new ATOM 0 HA ILE A 607 -6.650 -6.049 6.226 1.00 0.00 H new ATOM 0 HB ILE A 607 -5.641 -3.985 4.962 1.00 0.00 H new ATOM 0 HG12 ILE A 607 -5.320 -6.214 2.934 1.00 0.00 H new ATOM 0 HG13 ILE A 607 -6.077 -4.651 2.697 1.00 0.00 H new ATOM 0 HG21 ILE A 607 -3.378 -4.938 5.162 1.00 0.00 H new ATOM 0 HG22 ILE A 607 -4.401 -5.377 6.550 1.00 0.00 H new ATOM 0 HG23 ILE A 607 -4.079 -6.570 5.270 1.00 0.00 H new ATOM 0 HD11 ILE A 607 -3.864 -4.719 1.660 1.00 0.00 H new ATOM 0 HD12 ILE A 607 -3.895 -3.535 2.988 1.00 0.00 H new ATOM 0 HD13 ILE A 607 -3.127 -5.122 3.229 1.00 0.00 H new ATOM 1161 N ASP A 608 -8.314 -4.142 5.836 1.00 0.00 N ATOM 1162 CA ASP A 608 -9.486 -3.285 5.699 1.00 0.00 C ATOM 1163 C ASP A 608 -9.079 -1.816 5.627 1.00 0.00 C ATOM 1164 O ASP A 608 -8.849 -1.174 6.651 1.00 0.00 O ATOM 1165 CB ASP A 608 -10.444 -3.505 6.870 1.00 0.00 C ATOM 1166 CG ASP A 608 -11.459 -4.596 6.591 1.00 0.00 C ATOM 1167 OD1 ASP A 608 -12.393 -4.350 5.799 1.00 0.00 O ATOM 1168 OD2 ASP A 608 -11.319 -5.696 7.164 1.00 0.00 O ATOM 0 H ASP A 608 -7.800 -4.017 6.708 1.00 0.00 H new ATOM 0 HA ASP A 608 -9.993 -3.549 4.771 1.00 0.00 H new ATOM 0 HB2 ASP A 608 -9.871 -3.765 7.760 1.00 0.00 H new ATOM 0 HB3 ASP A 608 -10.967 -2.574 7.088 1.00 0.00 H new ATOM 1173 N VAL A 609 -8.993 -1.291 4.409 1.00 0.00 N ATOM 1174 CA VAL A 609 -8.614 0.102 4.202 1.00 0.00 C ATOM 1175 C VAL A 609 -9.839 1.009 4.199 1.00 0.00 C ATOM 1176 O VAL A 609 -10.779 0.797 3.433 1.00 0.00 O ATOM 1177 CB VAL A 609 -7.849 0.285 2.878 1.00 0.00 C ATOM 1178 CG1 VAL A 609 -7.094 1.605 2.875 1.00 0.00 C ATOM 1179 CG2 VAL A 609 -6.902 -0.882 2.644 1.00 0.00 C ATOM 0 H VAL A 609 -9.181 -1.809 3.551 1.00 0.00 H new ATOM 0 HA VAL A 609 -7.962 0.380 5.030 1.00 0.00 H new ATOM 0 HB VAL A 609 -8.571 0.306 2.062 1.00 0.00 H new ATOM 0 HG11 VAL A 609 -6.560 1.716 1.932 1.00 0.00 H new ATOM 0 HG12 VAL A 609 -7.799 2.428 2.992 1.00 0.00 H new ATOM 0 HG13 VAL A 609 -6.381 1.618 3.699 1.00 0.00 H new ATOM 0 HG21 VAL A 609 -6.370 -0.736 1.704 1.00 0.00 H new ATOM 0 HG22 VAL A 609 -6.184 -0.938 3.462 1.00 0.00 H new ATOM 0 HG23 VAL A 609 -7.472 -1.810 2.598 1.00 0.00 H new ATOM 1189 N ARG A 610 -9.821 2.022 5.059 1.00 0.00 N ATOM 1190 CA ARG A 610 -10.931 2.962 5.156 1.00 0.00 C ATOM 1191 C ARG A 610 -10.420 4.390 5.324 1.00 0.00 C ATOM 1192 O ARG A 610 -9.244 4.609 5.616 1.00 0.00 O ATOM 1193 CB ARG A 610 -11.839 2.593 6.331 1.00 0.00 C ATOM 1194 CG ARG A 610 -12.693 1.361 6.076 1.00 0.00 C ATOM 1195 CD ARG A 610 -11.972 0.088 6.491 1.00 0.00 C ATOM 1196 NE ARG A 610 -12.904 -0.991 6.808 1.00 0.00 N ATOM 1197 CZ ARG A 610 -13.771 -0.941 7.813 1.00 0.00 C ATOM 1198 NH1 ARG A 610 -13.824 0.128 8.595 1.00 0.00 N ATOM 1199 NH2 ARG A 610 -14.587 -1.963 8.038 1.00 0.00 N ATOM 0 H ARG A 610 -9.050 2.213 5.699 1.00 0.00 H new ATOM 0 HA ARG A 610 -11.504 2.905 4.231 1.00 0.00 H new ATOM 0 HB2 ARG A 610 -11.224 2.422 7.215 1.00 0.00 H new ATOM 0 HB3 ARG A 610 -12.491 3.437 6.555 1.00 0.00 H new ATOM 0 HG2 ARG A 610 -13.630 1.446 6.627 1.00 0.00 H new ATOM 0 HG3 ARG A 610 -12.949 1.307 5.018 1.00 0.00 H new ATOM 0 HD2 ARG A 610 -11.308 -0.231 5.687 1.00 0.00 H new ATOM 0 HD3 ARG A 610 -11.346 0.293 7.359 1.00 0.00 H new ATOM 0 HE ARG A 610 -12.888 -1.828 6.226 1.00 0.00 H new ATOM 0 HH11 ARG A 610 -13.198 0.915 8.426 1.00 0.00 H new ATOM 0 HH12 ARG A 610 -14.491 0.163 9.366 1.00 0.00 H new ATOM 0 HH21 ARG A 610 -14.549 -2.788 7.439 1.00 0.00 H new ATOM 0 HH22 ARG A 610 -15.253 -1.924 8.810 1.00 0.00 H new ATOM 1213 N ILE A 611 -11.312 5.358 5.137 1.00 0.00 N ATOM 1214 CA ILE A 611 -10.951 6.764 5.269 1.00 0.00 C ATOM 1215 C ILE A 611 -10.953 7.197 6.731 1.00 0.00 C ATOM 1216 O ILE A 611 -11.957 7.057 7.429 1.00 0.00 O ATOM 1217 CB ILE A 611 -11.913 7.668 4.476 1.00 0.00 C ATOM 1218 CG1 ILE A 611 -11.698 7.484 2.972 1.00 0.00 C ATOM 1219 CG2 ILE A 611 -11.717 9.124 4.870 1.00 0.00 C ATOM 1220 CD1 ILE A 611 -10.395 8.068 2.472 1.00 0.00 C ATOM 0 H ILE A 611 -12.289 5.194 4.894 1.00 0.00 H new ATOM 0 HA ILE A 611 -9.945 6.872 4.862 1.00 0.00 H new ATOM 0 HB ILE A 611 -12.937 7.382 4.715 1.00 0.00 H new ATOM 0 HG12 ILE A 611 -11.724 6.420 2.737 1.00 0.00 H new ATOM 0 HG13 ILE A 611 -12.525 7.949 2.435 1.00 0.00 H new ATOM 0 HG21 ILE A 611 -12.404 9.751 4.301 1.00 0.00 H new ATOM 0 HG22 ILE A 611 -11.915 9.243 5.935 1.00 0.00 H new ATOM 0 HG23 ILE A 611 -10.691 9.424 4.656 1.00 0.00 H new ATOM 0 HD11 ILE A 611 -10.310 7.901 1.398 1.00 0.00 H new ATOM 0 HD12 ILE A 611 -10.374 9.139 2.675 1.00 0.00 H new ATOM 0 HD13 ILE A 611 -9.561 7.586 2.982 1.00 0.00 H new ATOM 1232 N ASP A 612 -9.823 7.727 7.186 1.00 0.00 N ATOM 1233 CA ASP A 612 -9.694 8.184 8.565 1.00 0.00 C ATOM 1234 C ASP A 612 -9.987 9.678 8.671 1.00 0.00 C ATOM 1235 O ASP A 612 -9.221 10.429 9.274 1.00 0.00 O ATOM 1236 CB ASP A 612 -8.289 7.889 9.093 1.00 0.00 C ATOM 1237 CG ASP A 612 -8.269 7.675 10.594 1.00 0.00 C ATOM 1238 OD1 ASP A 612 -8.486 6.526 11.033 1.00 0.00 O ATOM 1239 OD2 ASP A 612 -8.035 8.656 11.330 1.00 0.00 O ATOM 0 H ASP A 612 -8.983 7.851 6.620 1.00 0.00 H new ATOM 0 HA ASP A 612 -10.422 7.645 9.171 1.00 0.00 H new ATOM 0 HB2 ASP A 612 -7.896 7.001 8.597 1.00 0.00 H new ATOM 0 HB3 ASP A 612 -7.627 8.716 8.838 1.00 0.00 H new