USER MOD reduce.3.24.130724 H: found=0, std=0, add=551, rem=0, adj=15 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 Single : A 544 ASN : amide:sc= -2.39! X(o=-2.4!,f=-2.2) USER MOD Single : A 550 THR OG1 : rot 180:sc= 0 USER MOD Single : A 552 LYS NZ :NH3+ -158:sc= 0.128 (180deg=-0.095) USER MOD Single : A 553 MET CE :methyl -162:sc= -0.0104 (180deg=-0.211) 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 X(o=0,f=-0.051) USER MOD Single : A 561 CYS SG : rot -120:sc= -2.64 USER MOD Single : A 563 HIS :FLIP no HD1:sc= -0.193 F(o=-1,f=-0.19) USER MOD Single : A 566 TYR OH : rot 180:sc= -0.22 USER MOD Single : A 570 LYS NZ :NH3+ 165:sc= -0.0273 (180deg=-0.258) USER MOD Single : A 577 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0239) USER MOD Single : A 579 CYS SG : rot 180:sc= -1.93 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 55:sc= -0.951 USER MOD Single : A 596 MET CE :methyl -153:sc= -0.157 (180deg=-0.729) USER MOD Single : A 597 MET CE :methyl -151:sc= -2.32! (180deg=-4.26) USER MOD Single : A 598 ASN : amide:sc= -2.72! C(o=-2.7!,f=-5!) USER MOD Single : A 600 MET CE :methyl 149:sc= -6.25! (180deg=-9.1!) 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 -6.113 11.206 5.532 1.00 0.00 N ATOM 60 CA GLY A 539 -5.293 10.014 5.641 1.00 0.00 C ATOM 61 C GLY A 539 -6.115 8.765 5.890 1.00 0.00 C ATOM 62 O GLY A 539 -7.064 8.785 6.674 1.00 0.00 O ATOM 0 HA2 GLY A 539 -4.716 9.889 4.725 1.00 0.00 H new ATOM 0 HA3 GLY A 539 -4.577 10.142 6.453 1.00 0.00 H new ATOM 66 N ILE A 540 -5.751 7.676 5.222 1.00 0.00 N ATOM 67 CA ILE A 540 -6.463 6.413 5.375 1.00 0.00 C ATOM 68 C ILE A 540 -5.822 5.549 6.456 1.00 0.00 C ATOM 69 O ILE A 540 -4.676 5.772 6.847 1.00 0.00 O ATOM 70 CB ILE A 540 -6.497 5.622 4.054 1.00 0.00 C ATOM 71 CG1 ILE A 540 -5.130 4.992 3.777 1.00 0.00 C ATOM 72 CG2 ILE A 540 -6.912 6.528 2.905 1.00 0.00 C ATOM 73 CD1 ILE A 540 -5.137 4.020 2.617 1.00 0.00 C ATOM 0 H ILE A 540 -4.968 7.643 4.570 1.00 0.00 H new ATOM 0 HA ILE A 540 -7.484 6.659 5.667 1.00 0.00 H new ATOM 0 HB ILE A 540 -7.233 4.823 4.144 1.00 0.00 H new ATOM 0 HG12 ILE A 540 -4.409 5.783 3.573 1.00 0.00 H new ATOM 0 HG13 ILE A 540 -4.789 4.473 4.673 1.00 0.00 H new ATOM 0 HG21 ILE A 540 -6.931 5.955 1.978 1.00 0.00 H new ATOM 0 HG22 ILE A 540 -7.904 6.934 3.102 1.00 0.00 H new ATOM 0 HG23 ILE A 540 -6.198 7.346 2.811 1.00 0.00 H new ATOM 0 HD11 ILE A 540 -4.136 3.612 2.478 1.00 0.00 H new ATOM 0 HD12 ILE A 540 -5.834 3.208 2.827 1.00 0.00 H new ATOM 0 HD13 ILE A 540 -5.447 4.539 1.710 1.00 0.00 H new ATOM 85 N PHE A 541 -6.569 4.559 6.935 1.00 0.00 N ATOM 86 CA PHE A 541 -6.074 3.660 7.970 1.00 0.00 C ATOM 87 C PHE A 541 -6.198 2.204 7.531 1.00 0.00 C ATOM 88 O PHE A 541 -7.198 1.807 6.933 1.00 0.00 O ATOM 89 CB PHE A 541 -6.843 3.877 9.275 1.00 0.00 C ATOM 90 CG PHE A 541 -6.028 3.598 10.505 1.00 0.00 C ATOM 91 CD1 PHE A 541 -5.833 2.298 10.943 1.00 0.00 C ATOM 92 CD2 PHE A 541 -5.457 4.636 11.224 1.00 0.00 C ATOM 93 CE1 PHE A 541 -5.083 2.038 12.075 1.00 0.00 C ATOM 94 CE2 PHE A 541 -4.706 4.382 12.356 1.00 0.00 C ATOM 95 CZ PHE A 541 -4.520 3.081 12.783 1.00 0.00 C ATOM 0 H PHE A 541 -7.519 4.360 6.622 1.00 0.00 H new ATOM 0 HA PHE A 541 -5.020 3.883 8.135 1.00 0.00 H new ATOM 0 HB2 PHE A 541 -7.199 4.907 9.311 1.00 0.00 H new ATOM 0 HB3 PHE A 541 -7.724 3.235 9.279 1.00 0.00 H new ATOM 0 HD1 PHE A 541 -6.272 1.478 10.394 1.00 0.00 H new ATOM 0 HD2 PHE A 541 -5.601 5.655 10.896 1.00 0.00 H new ATOM 0 HE1 PHE A 541 -4.938 1.020 12.405 1.00 0.00 H new ATOM 0 HE2 PHE A 541 -4.265 5.200 12.907 1.00 0.00 H new ATOM 0 HZ PHE A 541 -3.935 2.881 13.669 1.00 0.00 H new ATOM 105 N VAL A 542 -5.173 1.412 7.831 1.00 0.00 N ATOM 106 CA VAL A 542 -5.165 0.000 7.468 1.00 0.00 C ATOM 107 C VAL A 542 -4.961 -0.882 8.695 1.00 0.00 C ATOM 108 O VAL A 542 -4.299 -0.485 9.654 1.00 0.00 O ATOM 109 CB VAL A 542 -4.063 -0.309 6.438 1.00 0.00 C ATOM 110 CG1 VAL A 542 -4.230 -1.715 5.883 1.00 0.00 C ATOM 111 CG2 VAL A 542 -4.077 0.720 5.318 1.00 0.00 C ATOM 0 H VAL A 542 -4.337 1.725 8.325 1.00 0.00 H new ATOM 0 HA VAL A 542 -6.137 -0.218 7.025 1.00 0.00 H new ATOM 0 HB VAL A 542 -3.096 -0.254 6.939 1.00 0.00 H new ATOM 0 HG11 VAL A 542 -3.442 -1.915 5.157 1.00 0.00 H new ATOM 0 HG12 VAL A 542 -4.166 -2.437 6.697 1.00 0.00 H new ATOM 0 HG13 VAL A 542 -5.202 -1.801 5.397 1.00 0.00 H new ATOM 0 HG21 VAL A 542 -3.292 0.486 4.599 1.00 0.00 H new ATOM 0 HG22 VAL A 542 -5.045 0.700 4.817 1.00 0.00 H new ATOM 0 HG23 VAL A 542 -3.904 1.713 5.734 1.00 0.00 H new ATOM 121 N ARG A 543 -5.534 -2.080 8.657 1.00 0.00 N ATOM 122 CA ARG A 543 -5.415 -3.019 9.767 1.00 0.00 C ATOM 123 C ARG A 543 -5.220 -4.443 9.255 1.00 0.00 C ATOM 124 O ARG A 543 -5.484 -4.736 8.090 1.00 0.00 O ATOM 125 CB ARG A 543 -6.658 -2.951 10.655 1.00 0.00 C ATOM 126 CG ARG A 543 -6.550 -1.930 11.777 1.00 0.00 C ATOM 127 CD ARG A 543 -7.664 -2.105 12.798 1.00 0.00 C ATOM 128 NE ARG A 543 -7.428 -3.248 13.675 1.00 0.00 N ATOM 129 CZ ARG A 543 -8.344 -3.745 14.498 1.00 0.00 C ATOM 130 NH1 ARG A 543 -9.552 -3.201 14.556 1.00 0.00 N ATOM 131 NH2 ARG A 543 -8.054 -4.788 15.265 1.00 0.00 N ATOM 0 H ARG A 543 -6.085 -2.424 7.871 1.00 0.00 H new ATOM 0 HA ARG A 543 -4.541 -2.739 10.355 1.00 0.00 H new ATOM 0 HB2 ARG A 543 -7.523 -2.709 10.037 1.00 0.00 H new ATOM 0 HB3 ARG A 543 -6.840 -3.935 11.087 1.00 0.00 H new ATOM 0 HG2 ARG A 543 -5.583 -2.031 12.271 1.00 0.00 H new ATOM 0 HG3 ARG A 543 -6.592 -0.924 11.360 1.00 0.00 H new ATOM 0 HD2 ARG A 543 -7.751 -1.199 13.398 1.00 0.00 H new ATOM 0 HD3 ARG A 543 -8.614 -2.236 12.279 1.00 0.00 H new ATOM 0 HE ARG A 543 -6.509 -3.689 13.654 1.00 0.00 H new ATOM 0 HH11 ARG A 543 -9.779 -2.399 13.968 1.00 0.00 H new ATOM 0 HH12 ARG A 543 -10.254 -3.584 15.189 1.00 0.00 H new ATOM 0 HH21 ARG A 543 -7.126 -5.210 15.223 1.00 0.00 H new ATOM 0 HH22 ARG A 543 -8.759 -5.168 15.897 1.00 0.00 H new ATOM 145 N ASN A 544 -4.754 -5.323 10.135 1.00 0.00 N ATOM 146 CA ASN A 544 -4.521 -6.717 9.772 1.00 0.00 C ATOM 147 C ASN A 544 -3.351 -6.838 8.801 1.00 0.00 C ATOM 148 O ASN A 544 -3.366 -7.673 7.895 1.00 0.00 O ATOM 149 CB ASN A 544 -5.781 -7.320 9.148 1.00 0.00 C ATOM 150 CG ASN A 544 -5.784 -8.835 9.201 1.00 0.00 C ATOM 151 OD1 ASN A 544 -6.373 -9.435 10.101 1.00 0.00 O ATOM 152 ND2 ASN A 544 -5.124 -9.462 8.235 1.00 0.00 N ATOM 0 H ASN A 544 -4.530 -5.096 11.104 1.00 0.00 H new ATOM 0 HA ASN A 544 -4.274 -7.267 10.680 1.00 0.00 H new ATOM 0 HB2 ASN A 544 -6.659 -6.939 9.669 1.00 0.00 H new ATOM 0 HB3 ASN A 544 -5.860 -6.995 8.111 1.00 0.00 H new ATOM 0 HD21 ASN A 544 -5.091 -10.481 8.219 1.00 0.00 H new ATOM 0 HD22 ASN A 544 -4.650 -8.924 7.509 1.00 0.00 H new ATOM 159 N LEU A 545 -2.338 -6.002 8.997 1.00 0.00 N ATOM 160 CA LEU A 545 -1.158 -6.015 8.139 1.00 0.00 C ATOM 161 C LEU A 545 -0.127 -7.019 8.647 1.00 0.00 C ATOM 162 O LEU A 545 0.083 -7.175 9.850 1.00 0.00 O ATOM 163 CB LEU A 545 -0.537 -4.619 8.072 1.00 0.00 C ATOM 164 CG LEU A 545 -1.341 -3.562 7.314 1.00 0.00 C ATOM 165 CD1 LEU A 545 -0.903 -2.164 7.722 1.00 0.00 C ATOM 166 CD2 LEU A 545 -1.192 -3.753 5.812 1.00 0.00 C ATOM 0 H LEU A 545 -2.310 -5.306 9.742 1.00 0.00 H new ATOM 0 HA LEU A 545 -1.469 -6.316 7.139 1.00 0.00 H new ATOM 0 HB2 LEU A 545 -0.378 -4.265 9.090 1.00 0.00 H new ATOM 0 HB3 LEU A 545 0.445 -4.702 7.607 1.00 0.00 H new ATOM 0 HG LEU A 545 -2.393 -3.680 7.572 1.00 0.00 H new ATOM 0 HD11 LEU A 545 -1.486 -1.425 7.172 1.00 0.00 H new ATOM 0 HD12 LEU A 545 -1.063 -2.030 8.792 1.00 0.00 H new ATOM 0 HD13 LEU A 545 0.155 -2.033 7.495 1.00 0.00 H new ATOM 0 HD21 LEU A 545 -1.771 -2.992 5.289 1.00 0.00 H new ATOM 0 HD22 LEU A 545 -0.141 -3.663 5.536 1.00 0.00 H new ATOM 0 HD23 LEU A 545 -1.557 -4.742 5.533 1.00 0.00 H new ATOM 178 N PRO A 546 0.533 -7.714 7.709 1.00 0.00 N ATOM 179 CA PRO A 546 1.555 -8.712 8.037 1.00 0.00 C ATOM 180 C PRO A 546 2.823 -8.080 8.601 1.00 0.00 C ATOM 181 O PRO A 546 3.354 -7.122 8.040 1.00 0.00 O ATOM 182 CB PRO A 546 1.844 -9.380 6.690 1.00 0.00 C ATOM 183 CG PRO A 546 1.484 -8.353 5.673 1.00 0.00 C ATOM 184 CD PRO A 546 0.334 -7.579 6.256 1.00 0.00 C ATOM 0 HA PRO A 546 1.216 -9.404 8.808 1.00 0.00 H new ATOM 0 HB2 PRO A 546 2.892 -9.668 6.608 1.00 0.00 H new ATOM 0 HB3 PRO A 546 1.253 -10.287 6.563 1.00 0.00 H new ATOM 0 HG2 PRO A 546 2.329 -7.698 5.464 1.00 0.00 H new ATOM 0 HG3 PRO A 546 1.202 -8.820 4.729 1.00 0.00 H new ATOM 0 HD2 PRO A 546 0.353 -6.535 5.943 1.00 0.00 H new ATOM 0 HD3 PRO A 546 -0.626 -7.989 5.942 1.00 0.00 H new ATOM 192 N PHE A 547 3.304 -8.623 9.715 1.00 0.00 N ATOM 193 CA PHE A 547 4.510 -8.112 10.355 1.00 0.00 C ATOM 194 C PHE A 547 5.508 -7.610 9.315 1.00 0.00 C ATOM 195 O PHE A 547 5.827 -6.422 9.268 1.00 0.00 O ATOM 196 CB PHE A 547 5.157 -9.200 11.216 1.00 0.00 C ATOM 197 CG PHE A 547 4.233 -9.773 12.252 1.00 0.00 C ATOM 198 CD1 PHE A 547 3.620 -8.950 13.183 1.00 0.00 C ATOM 199 CD2 PHE A 547 3.978 -11.134 12.295 1.00 0.00 C ATOM 200 CE1 PHE A 547 2.769 -9.474 14.138 1.00 0.00 C ATOM 201 CE2 PHE A 547 3.127 -11.663 13.247 1.00 0.00 C ATOM 202 CZ PHE A 547 2.523 -10.833 14.171 1.00 0.00 C ATOM 0 H PHE A 547 2.877 -9.417 10.193 1.00 0.00 H new ATOM 0 HA PHE A 547 4.225 -7.275 10.993 1.00 0.00 H new ATOM 0 HB2 PHE A 547 5.507 -10.004 10.569 1.00 0.00 H new ATOM 0 HB3 PHE A 547 6.034 -8.785 11.713 1.00 0.00 H new ATOM 0 HD1 PHE A 547 3.809 -7.887 13.162 1.00 0.00 H new ATOM 0 HD2 PHE A 547 4.449 -11.789 11.577 1.00 0.00 H new ATOM 0 HE1 PHE A 547 2.297 -8.822 14.858 1.00 0.00 H new ATOM 0 HE2 PHE A 547 2.934 -12.725 13.268 1.00 0.00 H new ATOM 0 HZ PHE A 547 1.860 -11.245 14.917 1.00 0.00 H new ATOM 212 N ASP A 548 5.996 -8.524 8.484 1.00 0.00 N ATOM 213 CA ASP A 548 6.957 -8.176 7.444 1.00 0.00 C ATOM 214 C ASP A 548 6.680 -6.780 6.894 1.00 0.00 C ATOM 215 O ASP A 548 7.602 -5.993 6.677 1.00 0.00 O ATOM 216 CB ASP A 548 6.909 -9.203 6.311 1.00 0.00 C ATOM 217 CG ASP A 548 5.495 -9.638 5.983 1.00 0.00 C ATOM 218 OD1 ASP A 548 4.933 -10.452 6.745 1.00 0.00 O ATOM 219 OD2 ASP A 548 4.949 -9.164 4.964 1.00 0.00 O ATOM 0 H ASP A 548 5.742 -9.512 8.510 1.00 0.00 H new ATOM 0 HA ASP A 548 7.953 -8.182 7.887 1.00 0.00 H new ATOM 0 HB2 ASP A 548 7.371 -8.778 5.420 1.00 0.00 H new ATOM 0 HB3 ASP A 548 7.499 -10.076 6.591 1.00 0.00 H new ATOM 224 N PHE A 549 5.405 -6.480 6.669 1.00 0.00 N ATOM 225 CA PHE A 549 5.007 -5.180 6.142 1.00 0.00 C ATOM 226 C PHE A 549 5.725 -4.052 6.878 1.00 0.00 C ATOM 227 O PHE A 549 5.377 -3.713 8.009 1.00 0.00 O ATOM 228 CB PHE A 549 3.493 -5.000 6.262 1.00 0.00 C ATOM 229 CG PHE A 549 2.906 -4.130 5.187 1.00 0.00 C ATOM 230 CD1 PHE A 549 2.604 -4.655 3.940 1.00 0.00 C ATOM 231 CD2 PHE A 549 2.654 -2.788 5.423 1.00 0.00 C ATOM 232 CE1 PHE A 549 2.065 -3.857 2.950 1.00 0.00 C ATOM 233 CE2 PHE A 549 2.115 -1.985 4.436 1.00 0.00 C ATOM 234 CZ PHE A 549 1.819 -2.521 3.198 1.00 0.00 C ATOM 0 H PHE A 549 4.630 -7.120 6.843 1.00 0.00 H new ATOM 0 HA PHE A 549 5.288 -5.140 5.090 1.00 0.00 H new ATOM 0 HB2 PHE A 549 3.015 -5.979 6.228 1.00 0.00 H new ATOM 0 HB3 PHE A 549 3.263 -4.567 7.235 1.00 0.00 H new ATOM 0 HD1 PHE A 549 2.792 -5.700 3.740 1.00 0.00 H new ATOM 0 HD2 PHE A 549 2.882 -2.365 6.390 1.00 0.00 H new ATOM 0 HE1 PHE A 549 1.836 -4.278 1.982 1.00 0.00 H new ATOM 0 HE2 PHE A 549 1.926 -0.940 4.632 1.00 0.00 H new ATOM 0 HZ PHE A 549 1.396 -1.896 2.425 1.00 0.00 H new ATOM 244 N THR A 550 6.730 -3.474 6.227 1.00 0.00 N ATOM 245 CA THR A 550 7.498 -2.386 6.818 1.00 0.00 C ATOM 246 C THR A 550 7.075 -1.039 6.244 1.00 0.00 C ATOM 247 O THR A 550 6.581 -0.961 5.119 1.00 0.00 O ATOM 248 CB THR A 550 9.009 -2.577 6.589 1.00 0.00 C ATOM 249 OG1 THR A 550 9.272 -2.787 5.197 1.00 0.00 O ATOM 250 CG2 THR A 550 9.533 -3.757 7.393 1.00 0.00 C ATOM 0 H THR A 550 7.031 -3.742 5.290 1.00 0.00 H new ATOM 0 HA THR A 550 7.295 -2.401 7.889 1.00 0.00 H new ATOM 0 HB THR A 550 9.521 -1.674 6.922 1.00 0.00 H new ATOM 0 HG1 THR A 550 10.235 -2.906 5.060 1.00 0.00 H new ATOM 0 HG21 THR A 550 10.602 -3.872 7.215 1.00 0.00 H new ATOM 0 HG22 THR A 550 9.359 -3.580 8.454 1.00 0.00 H new ATOM 0 HG23 THR A 550 9.014 -4.665 7.086 1.00 0.00 H new ATOM 258 N TRP A 551 7.271 0.019 7.023 1.00 0.00 N ATOM 259 CA TRP A 551 6.910 1.364 6.590 1.00 0.00 C ATOM 260 C TRP A 551 7.204 1.556 5.106 1.00 0.00 C ATOM 261 O TRP A 551 6.380 2.090 4.364 1.00 0.00 O ATOM 262 CB TRP A 551 7.669 2.407 7.412 1.00 0.00 C ATOM 263 CG TRP A 551 9.149 2.388 7.175 1.00 0.00 C ATOM 264 CD1 TRP A 551 10.069 1.599 7.803 1.00 0.00 C ATOM 265 CD2 TRP A 551 9.878 3.197 6.246 1.00 0.00 C ATOM 266 NE1 TRP A 551 11.327 1.868 7.320 1.00 0.00 N ATOM 267 CE2 TRP A 551 11.237 2.845 6.363 1.00 0.00 C ATOM 268 CE3 TRP A 551 9.516 4.184 5.325 1.00 0.00 C ATOM 269 CZ2 TRP A 551 12.230 3.445 5.595 1.00 0.00 C ATOM 270 CZ3 TRP A 551 10.503 4.779 4.563 1.00 0.00 C ATOM 271 CH2 TRP A 551 11.847 4.408 4.701 1.00 0.00 C ATOM 0 H TRP A 551 7.678 -0.029 7.957 1.00 0.00 H new ATOM 0 HA TRP A 551 5.840 1.495 6.749 1.00 0.00 H new ATOM 0 HB2 TRP A 551 7.283 3.398 7.174 1.00 0.00 H new ATOM 0 HB3 TRP A 551 7.476 2.236 8.471 1.00 0.00 H new ATOM 0 HD1 TRP A 551 9.842 0.870 8.567 1.00 0.00 H new ATOM 0 HE1 TRP A 551 12.188 1.414 7.624 1.00 0.00 H new ATOM 0 HE3 TRP A 551 8.483 4.476 5.211 1.00 0.00 H new ATOM 0 HZ2 TRP A 551 13.267 3.161 5.701 1.00 0.00 H new ATOM 0 HZ3 TRP A 551 10.234 5.543 3.849 1.00 0.00 H new ATOM 0 HH2 TRP A 551 12.595 4.891 4.090 1.00 0.00 H new ATOM 282 N LYS A 552 8.383 1.117 4.680 1.00 0.00 N ATOM 283 CA LYS A 552 8.786 1.239 3.283 1.00 0.00 C ATOM 284 C LYS A 552 7.683 0.742 2.354 1.00 0.00 C ATOM 285 O LYS A 552 7.349 1.398 1.367 1.00 0.00 O ATOM 286 CB LYS A 552 10.073 0.451 3.032 1.00 0.00 C ATOM 287 CG LYS A 552 11.337 1.251 3.292 1.00 0.00 C ATOM 288 CD LYS A 552 12.552 0.597 2.655 1.00 0.00 C ATOM 289 CE LYS A 552 13.816 1.406 2.906 1.00 0.00 C ATOM 290 NZ LYS A 552 13.775 2.727 2.218 1.00 0.00 N ATOM 0 H LYS A 552 9.077 0.673 5.282 1.00 0.00 H new ATOM 0 HA LYS A 552 8.966 2.293 3.073 1.00 0.00 H new ATOM 0 HB2 LYS A 552 10.077 -0.435 3.668 1.00 0.00 H new ATOM 0 HB3 LYS A 552 10.080 0.102 1.999 1.00 0.00 H new ATOM 0 HG2 LYS A 552 11.217 2.260 2.898 1.00 0.00 H new ATOM 0 HG3 LYS A 552 11.495 1.345 4.366 1.00 0.00 H new ATOM 0 HD2 LYS A 552 12.677 -0.409 3.056 1.00 0.00 H new ATOM 0 HD3 LYS A 552 12.391 0.495 1.582 1.00 0.00 H new ATOM 0 HE2 LYS A 552 13.943 1.559 3.978 1.00 0.00 H new ATOM 0 HE3 LYS A 552 14.683 0.843 2.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 552 14.744 3.082 2.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 552 13.320 2.621 1.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 552 13.232 3.402 2.794 1.00 0.00 H new ATOM 304 N MET A 553 7.122 -0.418 2.676 1.00 0.00 N ATOM 305 CA MET A 553 6.055 -1.000 1.871 1.00 0.00 C ATOM 306 C MET A 553 4.830 -0.091 1.851 1.00 0.00 C ATOM 307 O MET A 553 4.399 0.364 0.790 1.00 0.00 O ATOM 308 CB MET A 553 5.671 -2.379 2.413 1.00 0.00 C ATOM 309 CG MET A 553 6.812 -3.383 2.379 1.00 0.00 C ATOM 310 SD MET A 553 6.952 -4.223 0.789 1.00 0.00 S ATOM 311 CE MET A 553 5.556 -5.342 0.873 1.00 0.00 C ATOM 0 H MET A 553 7.388 -0.974 3.489 1.00 0.00 H new ATOM 0 HA MET A 553 6.423 -1.108 0.851 1.00 0.00 H new ATOM 0 HB2 MET A 553 5.322 -2.273 3.440 1.00 0.00 H new ATOM 0 HB3 MET A 553 4.836 -2.770 1.831 1.00 0.00 H new ATOM 0 HG2 MET A 553 7.749 -2.870 2.598 1.00 0.00 H new ATOM 0 HG3 MET A 553 6.663 -4.124 3.165 1.00 0.00 H new ATOM 0 HE1 MET A 553 5.682 -6.136 0.137 1.00 0.00 H new ATOM 0 HE2 MET A 553 5.498 -5.777 1.871 1.00 0.00 H new ATOM 0 HE3 MET A 553 4.637 -4.794 0.662 1.00 0.00 H new ATOM 321 N LEU A 554 4.275 0.172 3.028 1.00 0.00 N ATOM 322 CA LEU A 554 3.099 1.027 3.146 1.00 0.00 C ATOM 323 C LEU A 554 3.201 2.225 2.207 1.00 0.00 C ATOM 324 O LEU A 554 2.240 2.573 1.520 1.00 0.00 O ATOM 325 CB LEU A 554 2.937 1.509 4.589 1.00 0.00 C ATOM 326 CG LEU A 554 1.643 2.261 4.904 1.00 0.00 C ATOM 327 CD1 LEU A 554 0.472 1.295 4.989 1.00 0.00 C ATOM 328 CD2 LEU A 554 1.785 3.046 6.200 1.00 0.00 C ATOM 0 H LEU A 554 4.620 -0.195 3.915 1.00 0.00 H new ATOM 0 HA LEU A 554 2.224 0.441 2.865 1.00 0.00 H new ATOM 0 HB2 LEU A 554 3.001 0.644 5.249 1.00 0.00 H new ATOM 0 HB3 LEU A 554 3.779 2.158 4.831 1.00 0.00 H new ATOM 0 HG LEU A 554 1.448 2.965 4.095 1.00 0.00 H new ATOM 0 HD11 LEU A 554 -0.440 1.848 5.214 1.00 0.00 H new ATOM 0 HD12 LEU A 554 0.357 0.778 4.037 1.00 0.00 H new ATOM 0 HD13 LEU A 554 0.658 0.566 5.778 1.00 0.00 H new ATOM 0 HD21 LEU A 554 0.855 3.575 6.409 1.00 0.00 H new ATOM 0 HD22 LEU A 554 2.004 2.360 7.019 1.00 0.00 H new ATOM 0 HD23 LEU A 554 2.598 3.766 6.102 1.00 0.00 H new ATOM 340 N LYS A 555 4.372 2.851 2.181 1.00 0.00 N ATOM 341 CA LYS A 555 4.603 4.008 1.323 1.00 0.00 C ATOM 342 C LYS A 555 4.704 3.589 -0.140 1.00 0.00 C ATOM 343 O LYS A 555 3.961 4.082 -0.989 1.00 0.00 O ATOM 344 CB LYS A 555 5.881 4.736 1.746 1.00 0.00 C ATOM 345 CG LYS A 555 6.030 6.114 1.126 1.00 0.00 C ATOM 346 CD LYS A 555 7.491 6.477 0.917 1.00 0.00 C ATOM 347 CE LYS A 555 7.694 7.984 0.902 1.00 0.00 C ATOM 348 NZ LYS A 555 9.008 8.361 0.311 1.00 0.00 N ATOM 0 H LYS A 555 5.177 2.577 2.744 1.00 0.00 H new ATOM 0 HA LYS A 555 3.755 4.684 1.431 1.00 0.00 H new ATOM 0 HB2 LYS A 555 5.892 4.832 2.832 1.00 0.00 H new ATOM 0 HB3 LYS A 555 6.743 4.128 1.471 1.00 0.00 H new ATOM 0 HG2 LYS A 555 5.507 6.142 0.170 1.00 0.00 H new ATOM 0 HG3 LYS A 555 5.558 6.856 1.770 1.00 0.00 H new ATOM 0 HD2 LYS A 555 8.094 6.035 1.711 1.00 0.00 H new ATOM 0 HD3 LYS A 555 7.842 6.052 -0.024 1.00 0.00 H new ATOM 0 HE2 LYS A 555 6.892 8.453 0.332 1.00 0.00 H new ATOM 0 HE3 LYS A 555 7.630 8.369 1.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 555 9.108 9.396 0.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 555 9.775 7.935 0.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 555 9.060 8.016 -0.669 1.00 0.00 H new ATOM 362 N ASP A 556 5.627 2.677 -0.427 1.00 0.00 N ATOM 363 CA ASP A 556 5.823 2.190 -1.787 1.00 0.00 C ATOM 364 C ASP A 556 4.569 1.490 -2.300 1.00 0.00 C ATOM 365 O ASP A 556 3.908 1.970 -3.221 1.00 0.00 O ATOM 366 CB ASP A 556 7.015 1.234 -1.842 1.00 0.00 C ATOM 367 CG ASP A 556 7.134 0.533 -3.181 1.00 0.00 C ATOM 368 OD1 ASP A 556 7.397 1.220 -4.190 1.00 0.00 O ATOM 369 OD2 ASP A 556 6.964 -0.704 -3.220 1.00 0.00 O ATOM 0 H ASP A 556 6.251 2.260 0.264 1.00 0.00 H new ATOM 0 HA ASP A 556 6.026 3.048 -2.428 1.00 0.00 H new ATOM 0 HB2 ASP A 556 7.932 1.789 -1.643 1.00 0.00 H new ATOM 0 HB3 ASP A 556 6.916 0.489 -1.053 1.00 0.00 H new ATOM 374 N LYS A 557 4.246 0.350 -1.698 1.00 0.00 N ATOM 375 CA LYS A 557 3.071 -0.419 -2.093 1.00 0.00 C ATOM 376 C LYS A 557 1.922 0.506 -2.481 1.00 0.00 C ATOM 377 O LYS A 557 1.244 0.282 -3.485 1.00 0.00 O ATOM 378 CB LYS A 557 2.634 -1.342 -0.953 1.00 0.00 C ATOM 379 CG LYS A 557 1.203 -1.833 -1.083 1.00 0.00 C ATOM 380 CD LYS A 557 1.035 -2.749 -2.285 1.00 0.00 C ATOM 381 CE LYS A 557 1.269 -4.205 -1.913 1.00 0.00 C ATOM 382 NZ LYS A 557 1.768 -4.999 -3.069 1.00 0.00 N ATOM 0 H LYS A 557 4.782 -0.062 -0.934 1.00 0.00 H new ATOM 0 HA LYS A 557 3.337 -1.023 -2.960 1.00 0.00 H new ATOM 0 HB2 LYS A 557 3.303 -2.202 -0.917 1.00 0.00 H new ATOM 0 HB3 LYS A 557 2.743 -0.813 -0.006 1.00 0.00 H new ATOM 0 HG2 LYS A 557 0.916 -2.365 -0.176 1.00 0.00 H new ATOM 0 HG3 LYS A 557 0.532 -0.980 -1.178 1.00 0.00 H new ATOM 0 HD2 LYS A 557 0.031 -2.634 -2.694 1.00 0.00 H new ATOM 0 HD3 LYS A 557 1.734 -2.456 -3.068 1.00 0.00 H new ATOM 0 HE2 LYS A 557 1.989 -4.260 -1.097 1.00 0.00 H new ATOM 0 HE3 LYS A 557 0.339 -4.641 -1.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 557 1.915 -5.986 -2.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 557 1.070 -4.968 -3.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 557 2.668 -4.599 -3.402 1.00 0.00 H new ATOM 396 N PHE A 558 1.709 1.546 -1.682 1.00 0.00 N ATOM 397 CA PHE A 558 0.641 2.505 -1.943 1.00 0.00 C ATOM 398 C PHE A 558 1.075 3.530 -2.986 1.00 0.00 C ATOM 399 O PHE A 558 0.261 4.016 -3.770 1.00 0.00 O ATOM 400 CB PHE A 558 0.238 3.215 -0.649 1.00 0.00 C ATOM 401 CG PHE A 558 -0.573 2.357 0.279 1.00 0.00 C ATOM 402 CD1 PHE A 558 -0.124 1.100 0.651 1.00 0.00 C ATOM 403 CD2 PHE A 558 -1.785 2.807 0.778 1.00 0.00 C ATOM 404 CE1 PHE A 558 -0.869 0.308 1.504 1.00 0.00 C ATOM 405 CE2 PHE A 558 -2.534 2.019 1.632 1.00 0.00 C ATOM 406 CZ PHE A 558 -2.075 0.769 1.996 1.00 0.00 C ATOM 0 H PHE A 558 2.261 1.747 -0.848 1.00 0.00 H new ATOM 0 HA PHE A 558 -0.218 1.959 -2.332 1.00 0.00 H new ATOM 0 HB2 PHE A 558 1.138 3.547 -0.131 1.00 0.00 H new ATOM 0 HB3 PHE A 558 -0.334 4.109 -0.898 1.00 0.00 H new ATOM 0 HD1 PHE A 558 0.818 0.735 0.270 1.00 0.00 H new ATOM 0 HD2 PHE A 558 -2.149 3.784 0.497 1.00 0.00 H new ATOM 0 HE1 PHE A 558 -0.509 -0.670 1.786 1.00 0.00 H new ATOM 0 HE2 PHE A 558 -3.477 2.381 2.014 1.00 0.00 H new ATOM 0 HZ PHE A 558 -2.658 0.152 2.664 1.00 0.00 H new ATOM 416 N ASN A 559 2.364 3.855 -2.988 1.00 0.00 N ATOM 417 CA ASN A 559 2.907 4.823 -3.934 1.00 0.00 C ATOM 418 C ASN A 559 2.332 4.601 -5.330 1.00 0.00 C ATOM 419 O ASN A 559 2.302 5.517 -6.151 1.00 0.00 O ATOM 420 CB ASN A 559 4.433 4.726 -3.977 1.00 0.00 C ATOM 421 CG ASN A 559 5.064 5.873 -4.742 1.00 0.00 C ATOM 422 OD1 ASN A 559 5.179 5.827 -5.967 1.00 0.00 O ATOM 423 ND2 ASN A 559 5.478 6.908 -4.021 1.00 0.00 N ATOM 0 H ASN A 559 3.052 3.462 -2.345 1.00 0.00 H new ATOM 0 HA ASN A 559 2.623 5.820 -3.598 1.00 0.00 H new ATOM 0 HB2 ASN A 559 4.822 4.714 -2.959 1.00 0.00 H new ATOM 0 HB3 ASN A 559 4.721 3.782 -4.440 1.00 0.00 H new ATOM 0 HD21 ASN A 559 5.912 7.709 -4.480 1.00 0.00 H new ATOM 0 HD22 ASN A 559 5.362 6.903 -3.008 1.00 0.00 H new ATOM 430 N GLU A 560 1.878 3.379 -5.590 1.00 0.00 N ATOM 431 CA GLU A 560 1.305 3.038 -6.886 1.00 0.00 C ATOM 432 C GLU A 560 0.046 3.856 -7.157 1.00 0.00 C ATOM 433 O GLU A 560 -0.105 4.447 -8.227 1.00 0.00 O ATOM 434 CB GLU A 560 0.979 1.544 -6.947 1.00 0.00 C ATOM 435 CG GLU A 560 2.161 0.679 -7.354 1.00 0.00 C ATOM 436 CD GLU A 560 1.746 -0.721 -7.763 1.00 0.00 C ATOM 437 OE1 GLU A 560 1.441 -0.924 -8.956 1.00 0.00 O ATOM 438 OE2 GLU A 560 1.726 -1.613 -6.889 1.00 0.00 O ATOM 0 H GLU A 560 1.896 2.610 -4.921 1.00 0.00 H new ATOM 0 HA GLU A 560 2.042 3.274 -7.654 1.00 0.00 H new ATOM 0 HB2 GLU A 560 0.621 1.219 -5.970 1.00 0.00 H new ATOM 0 HB3 GLU A 560 0.164 1.387 -7.654 1.00 0.00 H new ATOM 0 HG2 GLU A 560 2.686 1.155 -8.182 1.00 0.00 H new ATOM 0 HG3 GLU A 560 2.864 0.617 -6.524 1.00 0.00 H new ATOM 445 N CYS A 561 -0.855 3.883 -6.181 1.00 0.00 N ATOM 446 CA CYS A 561 -2.103 4.627 -6.314 1.00 0.00 C ATOM 447 C CYS A 561 -1.832 6.087 -6.660 1.00 0.00 C ATOM 448 O CYS A 561 -2.357 6.611 -7.642 1.00 0.00 O ATOM 449 CB CYS A 561 -2.913 4.539 -5.020 1.00 0.00 C ATOM 450 SG CYS A 561 -4.123 5.867 -4.815 1.00 0.00 S ATOM 0 H CYS A 561 -0.745 3.399 -5.290 1.00 0.00 H new ATOM 0 HA CYS A 561 -2.678 4.181 -7.126 1.00 0.00 H new ATOM 0 HB2 CYS A 561 -3.433 3.581 -4.994 1.00 0.00 H new ATOM 0 HB3 CYS A 561 -2.227 4.553 -4.173 1.00 0.00 H new ATOM 0 HG CYS A 561 -3.857 6.533 -3.731 1.00 0.00 H new ATOM 456 N GLY A 562 -1.008 6.740 -5.846 1.00 0.00 N ATOM 457 CA GLY A 562 -0.682 8.134 -6.082 1.00 0.00 C ATOM 458 C GLY A 562 0.575 8.567 -5.355 1.00 0.00 C ATOM 459 O GLY A 562 1.508 7.780 -5.190 1.00 0.00 O ATOM 0 H GLY A 562 -0.560 6.328 -5.027 1.00 0.00 H new ATOM 0 HA2 GLY A 562 -0.554 8.298 -7.152 1.00 0.00 H new ATOM 0 HA3 GLY A 562 -1.516 8.758 -5.762 1.00 0.00 H new ATOM 463 N HIS A 563 0.602 9.823 -4.918 1.00 0.00 N ATOM 464 CA HIS A 563 1.756 10.359 -4.205 1.00 0.00 C ATOM 465 C HIS A 563 1.544 10.286 -2.696 1.00 0.00 C ATOM 466 O HIS A 563 0.650 10.934 -2.152 1.00 0.00 O ATOM 467 CB HIS A 563 2.014 11.807 -4.626 1.00 0.00 C ATOM 468 CG HIS A 563 3.219 12.414 -3.975 1.00 0.00 C ATOM 469 ND1 HIS A 563 3.481 12.684 -2.675 1.00 0.00 N flip ATOM 470 CD2 HIS A 563 4.331 12.820 -4.682 1.00 0.00 C flip ATOM 471 CE1 HIS A 563 4.735 13.242 -2.620 1.00 0.00 C flip ATOM 472 NE2 HIS A 563 5.226 13.313 -3.844 1.00 0.00 N flip ATOM 0 H HIS A 563 -0.161 10.487 -5.045 1.00 0.00 H new ATOM 0 HA HIS A 563 2.625 9.753 -4.462 1.00 0.00 H new ATOM 0 HB2 HIS A 563 2.138 11.846 -5.708 1.00 0.00 H new ATOM 0 HB3 HIS A 563 1.138 12.409 -4.384 1.00 0.00 H new ATOM 0 HD2 HIS A 563 4.452 12.747 -5.753 1.00 0.00 H new ATOM 0 HE1 HIS A 563 5.238 13.569 -1.722 1.00 0.00 H new ATOM 0 HE2 HIS A 563 6.141 13.685 -4.099 1.00 0.00 H new ATOM 481 N VAL A 564 2.373 9.491 -2.025 1.00 0.00 N ATOM 482 CA VAL A 564 2.276 9.333 -0.579 1.00 0.00 C ATOM 483 C VAL A 564 3.052 10.427 0.146 1.00 0.00 C ATOM 484 O VAL A 564 4.209 10.701 -0.176 1.00 0.00 O ATOM 485 CB VAL A 564 2.806 7.959 -0.128 1.00 0.00 C ATOM 486 CG1 VAL A 564 2.893 7.891 1.389 1.00 0.00 C ATOM 487 CG2 VAL A 564 1.924 6.844 -0.670 1.00 0.00 C ATOM 0 H VAL A 564 3.118 8.947 -2.460 1.00 0.00 H new ATOM 0 HA VAL A 564 1.219 9.409 -0.322 1.00 0.00 H new ATOM 0 HB VAL A 564 3.810 7.826 -0.531 1.00 0.00 H new ATOM 0 HG11 VAL A 564 3.269 6.913 1.688 1.00 0.00 H new ATOM 0 HG12 VAL A 564 3.569 8.666 1.750 1.00 0.00 H new ATOM 0 HG13 VAL A 564 1.903 8.045 1.818 1.00 0.00 H new ATOM 0 HG21 VAL A 564 2.313 5.880 -0.342 1.00 0.00 H new ATOM 0 HG22 VAL A 564 0.907 6.971 -0.298 1.00 0.00 H new ATOM 0 HG23 VAL A 564 1.919 6.881 -1.759 1.00 0.00 H new ATOM 497 N LEU A 565 2.408 11.050 1.127 1.00 0.00 N ATOM 498 CA LEU A 565 3.037 12.115 1.901 1.00 0.00 C ATOM 499 C LEU A 565 3.541 11.590 3.241 1.00 0.00 C ATOM 500 O LEU A 565 4.587 12.015 3.732 1.00 0.00 O ATOM 501 CB LEU A 565 2.048 13.260 2.128 1.00 0.00 C ATOM 502 CG LEU A 565 1.543 13.969 0.871 1.00 0.00 C ATOM 503 CD1 LEU A 565 0.424 14.939 1.219 1.00 0.00 C ATOM 504 CD2 LEU A 565 2.684 14.696 0.173 1.00 0.00 C ATOM 0 H LEU A 565 1.450 10.836 1.405 1.00 0.00 H new ATOM 0 HA LEU A 565 3.890 12.487 1.334 1.00 0.00 H new ATOM 0 HB2 LEU A 565 1.188 12.868 2.670 1.00 0.00 H new ATOM 0 HB3 LEU A 565 2.522 14.000 2.773 1.00 0.00 H new ATOM 0 HG LEU A 565 1.146 13.218 0.188 1.00 0.00 H new ATOM 0 HD11 LEU A 565 0.077 15.435 0.312 1.00 0.00 H new ATOM 0 HD12 LEU A 565 -0.403 14.393 1.673 1.00 0.00 H new ATOM 0 HD13 LEU A 565 0.795 15.686 1.921 1.00 0.00 H new ATOM 0 HD21 LEU A 565 2.306 15.195 -0.719 1.00 0.00 H new ATOM 0 HD22 LEU A 565 3.111 15.437 0.849 1.00 0.00 H new ATOM 0 HD23 LEU A 565 3.453 13.978 -0.111 1.00 0.00 H new ATOM 516 N TYR A 566 2.792 10.662 3.827 1.00 0.00 N ATOM 517 CA TYR A 566 3.163 10.079 5.110 1.00 0.00 C ATOM 518 C TYR A 566 2.884 8.579 5.128 1.00 0.00 C ATOM 519 O TYR A 566 1.987 8.095 4.438 1.00 0.00 O ATOM 520 CB TYR A 566 2.400 10.764 6.245 1.00 0.00 C ATOM 521 CG TYR A 566 2.702 10.191 7.611 1.00 0.00 C ATOM 522 CD1 TYR A 566 3.999 10.179 8.110 1.00 0.00 C ATOM 523 CD2 TYR A 566 1.691 9.662 8.404 1.00 0.00 C ATOM 524 CE1 TYR A 566 4.280 9.655 9.357 1.00 0.00 C ATOM 525 CE2 TYR A 566 1.962 9.138 9.653 1.00 0.00 C ATOM 526 CZ TYR A 566 3.258 9.136 10.125 1.00 0.00 C ATOM 527 OH TYR A 566 3.534 8.615 11.368 1.00 0.00 O ATOM 0 H TYR A 566 1.924 10.298 3.433 1.00 0.00 H new ATOM 0 HA TYR A 566 4.232 10.233 5.255 1.00 0.00 H new ATOM 0 HB2 TYR A 566 2.642 11.827 6.245 1.00 0.00 H new ATOM 0 HB3 TYR A 566 1.330 10.681 6.054 1.00 0.00 H new ATOM 0 HD1 TYR A 566 4.801 10.586 7.513 1.00 0.00 H new ATOM 0 HD2 TYR A 566 0.675 9.661 8.037 1.00 0.00 H new ATOM 0 HE1 TYR A 566 5.294 9.652 9.729 1.00 0.00 H new ATOM 0 HE2 TYR A 566 1.164 8.732 10.257 1.00 0.00 H new ATOM 0 HH TYR A 566 2.705 8.292 11.779 1.00 0.00 H new ATOM 537 N ALA A 567 3.660 7.849 5.923 1.00 0.00 N ATOM 538 CA ALA A 567 3.496 6.405 6.034 1.00 0.00 C ATOM 539 C ALA A 567 4.270 5.855 7.227 1.00 0.00 C ATOM 540 O ALA A 567 5.500 5.891 7.252 1.00 0.00 O ATOM 541 CB ALA A 567 3.947 5.723 4.751 1.00 0.00 C ATOM 0 H ALA A 567 4.408 8.234 6.499 1.00 0.00 H new ATOM 0 HA ALA A 567 2.438 6.195 6.192 1.00 0.00 H new ATOM 0 HB1 ALA A 567 3.819 4.645 4.848 1.00 0.00 H new ATOM 0 HB2 ALA A 567 3.348 6.086 3.916 1.00 0.00 H new ATOM 0 HB3 ALA A 567 4.998 5.949 4.569 1.00 0.00 H new ATOM 547 N ASP A 568 3.541 5.347 8.215 1.00 0.00 N ATOM 548 CA ASP A 568 4.159 4.789 9.412 1.00 0.00 C ATOM 549 C ASP A 568 3.354 3.604 9.937 1.00 0.00 C ATOM 550 O ASP A 568 2.124 3.636 9.955 1.00 0.00 O ATOM 551 CB ASP A 568 4.279 5.861 10.497 1.00 0.00 C ATOM 552 CG ASP A 568 5.341 5.527 11.526 1.00 0.00 C ATOM 553 OD1 ASP A 568 6.510 5.335 11.130 1.00 0.00 O ATOM 554 OD2 ASP A 568 5.004 5.456 12.726 1.00 0.00 O ATOM 0 H ASP A 568 2.522 5.310 8.210 1.00 0.00 H new ATOM 0 HA ASP A 568 5.156 4.439 9.147 1.00 0.00 H new ATOM 0 HB2 ASP A 568 4.515 6.819 10.033 1.00 0.00 H new ATOM 0 HB3 ASP A 568 3.317 5.978 10.996 1.00 0.00 H new ATOM 559 N ILE A 569 4.057 2.560 10.362 1.00 0.00 N ATOM 560 CA ILE A 569 3.408 1.365 10.887 1.00 0.00 C ATOM 561 C ILE A 569 3.298 1.422 12.407 1.00 0.00 C ATOM 562 O ILE A 569 4.269 1.169 13.121 1.00 0.00 O ATOM 563 CB ILE A 569 4.170 0.088 10.487 1.00 0.00 C ATOM 564 CG1 ILE A 569 4.416 0.067 8.976 1.00 0.00 C ATOM 565 CG2 ILE A 569 3.397 -1.148 10.920 1.00 0.00 C ATOM 566 CD1 ILE A 569 3.203 -0.346 8.173 1.00 0.00 C ATOM 0 H ILE A 569 5.076 2.517 10.353 1.00 0.00 H new ATOM 0 HA ILE A 569 2.409 1.333 10.453 1.00 0.00 H new ATOM 0 HB ILE A 569 5.135 0.085 10.994 1.00 0.00 H new ATOM 0 HG12 ILE A 569 4.735 1.058 8.654 1.00 0.00 H new ATOM 0 HG13 ILE A 569 5.236 -0.618 8.759 1.00 0.00 H new ATOM 0 HG21 ILE A 569 3.949 -2.042 10.630 1.00 0.00 H new ATOM 0 HG22 ILE A 569 3.268 -1.136 12.002 1.00 0.00 H new ATOM 0 HG23 ILE A 569 2.419 -1.153 10.438 1.00 0.00 H new ATOM 0 HD11 ILE A 569 3.450 -0.339 7.111 1.00 0.00 H new ATOM 0 HD12 ILE A 569 2.896 -1.350 8.467 1.00 0.00 H new ATOM 0 HD13 ILE A 569 2.387 0.352 8.361 1.00 0.00 H new ATOM 578 N LYS A 570 2.108 1.754 12.897 1.00 0.00 N ATOM 579 CA LYS A 570 1.868 1.841 14.332 1.00 0.00 C ATOM 580 C LYS A 570 2.373 0.591 15.045 1.00 0.00 C ATOM 581 O LYS A 570 1.845 -0.503 14.848 1.00 0.00 O ATOM 582 CB LYS A 570 0.375 2.032 14.610 1.00 0.00 C ATOM 583 CG LYS A 570 -0.200 3.297 13.999 1.00 0.00 C ATOM 584 CD LYS A 570 0.173 4.527 14.809 1.00 0.00 C ATOM 585 CE LYS A 570 -0.447 5.788 14.226 1.00 0.00 C ATOM 586 NZ LYS A 570 -1.936 5.740 14.259 1.00 0.00 N ATOM 0 H LYS A 570 1.294 1.967 12.320 1.00 0.00 H new ATOM 0 HA LYS A 570 2.415 2.702 14.715 1.00 0.00 H new ATOM 0 HB2 LYS A 570 -0.171 1.171 14.224 1.00 0.00 H new ATOM 0 HB3 LYS A 570 0.215 2.054 15.688 1.00 0.00 H new ATOM 0 HG2 LYS A 570 0.166 3.408 12.978 1.00 0.00 H new ATOM 0 HG3 LYS A 570 -1.285 3.214 13.941 1.00 0.00 H new ATOM 0 HD2 LYS A 570 -0.159 4.400 15.839 1.00 0.00 H new ATOM 0 HD3 LYS A 570 1.258 4.632 14.834 1.00 0.00 H new ATOM 0 HE2 LYS A 570 -0.099 6.656 14.786 1.00 0.00 H new ATOM 0 HE3 LYS A 570 -0.110 5.916 13.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 570 -2.318 6.694 14.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 570 -2.279 5.099 13.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 570 -2.252 5.394 15.187 1.00 0.00 H new ATOM 686 N LYS A 577 1.640 -4.178 15.126 1.00 0.00 N ATOM 687 CA LYS A 577 0.255 -4.588 15.324 1.00 0.00 C ATOM 688 C LYS A 577 -0.485 -4.665 13.992 1.00 0.00 C ATOM 689 O LYS A 577 -1.714 -4.674 13.954 1.00 0.00 O ATOM 690 CB LYS A 577 -0.459 -3.610 16.260 1.00 0.00 C ATOM 691 CG LYS A 577 0.242 -3.424 17.595 1.00 0.00 C ATOM 692 CD LYS A 577 0.256 -4.712 18.402 1.00 0.00 C ATOM 693 CE LYS A 577 -1.112 -5.011 18.996 1.00 0.00 C ATOM 694 NZ LYS A 577 -1.407 -4.147 20.172 1.00 0.00 N ATOM 0 HA LYS A 577 0.257 -5.579 15.777 1.00 0.00 H new ATOM 0 HB2 LYS A 577 -0.543 -2.642 15.765 1.00 0.00 H new ATOM 0 HB3 LYS A 577 -1.474 -3.966 16.438 1.00 0.00 H new ATOM 0 HG2 LYS A 577 1.265 -3.088 17.426 1.00 0.00 H new ATOM 0 HG3 LYS A 577 -0.260 -2.642 18.165 1.00 0.00 H new ATOM 0 HD2 LYS A 577 0.566 -5.539 17.764 1.00 0.00 H new ATOM 0 HD3 LYS A 577 0.992 -4.634 19.202 1.00 0.00 H new ATOM 0 HE2 LYS A 577 -1.878 -4.863 18.235 1.00 0.00 H new ATOM 0 HE3 LYS A 577 -1.157 -6.058 19.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 577 -2.309 -4.438 20.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 577 -0.645 -4.243 20.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 577 -1.473 -3.155 19.866 1.00 0.00 H new ATOM 708 N GLY A 578 0.273 -4.722 12.901 1.00 0.00 N ATOM 709 CA GLY A 578 -0.328 -4.800 11.583 1.00 0.00 C ATOM 710 C GLY A 578 -1.323 -3.683 11.333 1.00 0.00 C ATOM 711 O GLY A 578 -2.492 -3.938 11.043 1.00 0.00 O ATOM 0 H GLY A 578 1.293 -4.716 12.907 1.00 0.00 H new ATOM 0 HA2 GLY A 578 0.456 -4.760 10.827 1.00 0.00 H new ATOM 0 HA3 GLY A 578 -0.830 -5.761 11.472 1.00 0.00 H new ATOM 715 N CYS A 579 -0.859 -2.444 11.447 1.00 0.00 N ATOM 716 CA CYS A 579 -1.716 -1.283 11.234 1.00 0.00 C ATOM 717 C CYS A 579 -0.885 -0.039 10.942 1.00 0.00 C ATOM 718 O CYS A 579 0.293 0.030 11.290 1.00 0.00 O ATOM 719 CB CYS A 579 -2.600 -1.045 12.459 1.00 0.00 C ATOM 720 SG CYS A 579 -1.694 -0.984 14.023 1.00 0.00 S ATOM 0 H CYS A 579 0.106 -2.217 11.686 1.00 0.00 H new ATOM 0 HA CYS A 579 -2.350 -1.484 10.370 1.00 0.00 H new ATOM 0 HB2 CYS A 579 -3.140 -0.107 12.327 1.00 0.00 H new ATOM 0 HB3 CYS A 579 -3.346 -1.837 12.515 1.00 0.00 H new ATOM 0 HG CYS A 579 -2.527 -0.777 14.999 1.00 0.00 H new ATOM 726 N GLY A 580 -1.506 0.944 10.297 1.00 0.00 N ATOM 727 CA GLY A 580 -0.808 2.172 9.966 1.00 0.00 C ATOM 728 C GLY A 580 -1.712 3.192 9.302 1.00 0.00 C ATOM 729 O GLY A 580 -2.930 3.019 9.260 1.00 0.00 O ATOM 0 H GLY A 580 -2.481 0.911 9.998 1.00 0.00 H new ATOM 0 HA2 GLY A 580 -0.385 2.602 10.874 1.00 0.00 H new ATOM 0 HA3 GLY A 580 0.027 1.944 9.303 1.00 0.00 H new ATOM 733 N VAL A 581 -1.114 4.260 8.782 1.00 0.00 N ATOM 734 CA VAL A 581 -1.873 5.312 8.116 1.00 0.00 C ATOM 735 C VAL A 581 -1.130 5.836 6.892 1.00 0.00 C ATOM 736 O VAL A 581 0.098 5.918 6.887 1.00 0.00 O ATOM 737 CB VAL A 581 -2.160 6.487 9.071 1.00 0.00 C ATOM 738 CG1 VAL A 581 -3.337 6.163 9.977 1.00 0.00 C ATOM 739 CG2 VAL A 581 -0.922 6.821 9.889 1.00 0.00 C ATOM 0 H VAL A 581 -0.107 4.419 8.809 1.00 0.00 H new ATOM 0 HA VAL A 581 -2.818 4.870 7.801 1.00 0.00 H new ATOM 0 HB VAL A 581 -2.422 7.362 8.476 1.00 0.00 H new ATOM 0 HG11 VAL A 581 -3.525 7.004 10.644 1.00 0.00 H new ATOM 0 HG12 VAL A 581 -4.223 5.977 9.370 1.00 0.00 H new ATOM 0 HG13 VAL A 581 -3.108 5.276 10.567 1.00 0.00 H new ATOM 0 HG21 VAL A 581 -1.142 7.653 10.558 1.00 0.00 H new ATOM 0 HG22 VAL A 581 -0.628 5.951 10.476 1.00 0.00 H new ATOM 0 HG23 VAL A 581 -0.108 7.099 9.220 1.00 0.00 H new ATOM 749 N VAL A 582 -1.883 6.190 5.856 1.00 0.00 N ATOM 750 CA VAL A 582 -1.296 6.707 4.626 1.00 0.00 C ATOM 751 C VAL A 582 -1.984 7.996 4.189 1.00 0.00 C ATOM 752 O VAL A 582 -3.212 8.067 4.125 1.00 0.00 O ATOM 753 CB VAL A 582 -1.386 5.677 3.484 1.00 0.00 C ATOM 754 CG1 VAL A 582 -0.815 6.254 2.198 1.00 0.00 C ATOM 755 CG2 VAL A 582 -0.667 4.393 3.868 1.00 0.00 C ATOM 0 H VAL A 582 -2.901 6.128 5.844 1.00 0.00 H new ATOM 0 HA VAL A 582 -0.247 6.912 4.838 1.00 0.00 H new ATOM 0 HB VAL A 582 -2.436 5.441 3.312 1.00 0.00 H new ATOM 0 HG11 VAL A 582 -0.887 5.512 1.403 1.00 0.00 H new ATOM 0 HG12 VAL A 582 -1.379 7.144 1.917 1.00 0.00 H new ATOM 0 HG13 VAL A 582 0.231 6.521 2.352 1.00 0.00 H new ATOM 0 HG21 VAL A 582 -0.740 3.676 3.050 1.00 0.00 H new ATOM 0 HG22 VAL A 582 0.382 4.609 4.068 1.00 0.00 H new ATOM 0 HG23 VAL A 582 -1.127 3.972 4.762 1.00 0.00 H new ATOM 765 N LYS A 583 -1.185 9.014 3.887 1.00 0.00 N ATOM 766 CA LYS A 583 -1.715 10.301 3.454 1.00 0.00 C ATOM 767 C LYS A 583 -1.354 10.575 1.998 1.00 0.00 C ATOM 768 O LYS A 583 -0.335 10.096 1.499 1.00 0.00 O ATOM 769 CB LYS A 583 -1.178 11.423 4.344 1.00 0.00 C ATOM 770 CG LYS A 583 -2.069 11.737 5.533 1.00 0.00 C ATOM 771 CD LYS A 583 -1.922 10.696 6.631 1.00 0.00 C ATOM 772 CE LYS A 583 -2.391 11.233 7.974 1.00 0.00 C ATOM 773 NZ LYS A 583 -2.690 10.135 8.936 1.00 0.00 N ATOM 0 H LYS A 583 -0.167 8.972 3.934 1.00 0.00 H new ATOM 0 HA LYS A 583 -2.801 10.266 3.541 1.00 0.00 H new ATOM 0 HB2 LYS A 583 -0.188 11.146 4.706 1.00 0.00 H new ATOM 0 HB3 LYS A 583 -1.057 12.325 3.744 1.00 0.00 H new ATOM 0 HG2 LYS A 583 -1.817 12.721 5.928 1.00 0.00 H new ATOM 0 HG3 LYS A 583 -3.109 11.780 5.208 1.00 0.00 H new ATOM 0 HD2 LYS A 583 -2.498 9.808 6.372 1.00 0.00 H new ATOM 0 HD3 LYS A 583 -0.879 10.388 6.705 1.00 0.00 H new ATOM 0 HE2 LYS A 583 -1.624 11.884 8.393 1.00 0.00 H new ATOM 0 HE3 LYS A 583 -3.283 11.843 7.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 583 -3.007 10.542 9.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 583 -3.440 9.528 8.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 583 -1.832 9.568 9.093 1.00 0.00 H new ATOM 787 N PHE A 584 -2.194 11.351 1.320 1.00 0.00 N ATOM 788 CA PHE A 584 -1.963 11.690 -0.079 1.00 0.00 C ATOM 789 C PHE A 584 -2.061 13.197 -0.297 1.00 0.00 C ATOM 790 O PHE A 584 -2.282 13.957 0.645 1.00 0.00 O ATOM 791 CB PHE A 584 -2.971 10.966 -0.975 1.00 0.00 C ATOM 792 CG PHE A 584 -2.868 9.469 -0.906 1.00 0.00 C ATOM 793 CD1 PHE A 584 -3.547 8.759 0.071 1.00 0.00 C ATOM 794 CD2 PHE A 584 -2.092 8.772 -1.818 1.00 0.00 C ATOM 795 CE1 PHE A 584 -3.454 7.382 0.137 1.00 0.00 C ATOM 796 CE2 PHE A 584 -1.995 7.395 -1.757 1.00 0.00 C ATOM 797 CZ PHE A 584 -2.678 6.699 -0.779 1.00 0.00 C ATOM 0 H PHE A 584 -3.041 11.757 1.718 1.00 0.00 H new ATOM 0 HA PHE A 584 -0.956 11.368 -0.343 1.00 0.00 H new ATOM 0 HB2 PHE A 584 -3.979 11.266 -0.690 1.00 0.00 H new ATOM 0 HB3 PHE A 584 -2.823 11.285 -2.007 1.00 0.00 H new ATOM 0 HD1 PHE A 584 -4.156 9.288 0.789 1.00 0.00 H new ATOM 0 HD2 PHE A 584 -1.557 9.311 -2.586 1.00 0.00 H new ATOM 0 HE1 PHE A 584 -3.988 6.840 0.904 1.00 0.00 H new ATOM 0 HE2 PHE A 584 -1.386 6.864 -2.473 1.00 0.00 H new ATOM 0 HZ PHE A 584 -2.605 5.623 -0.731 1.00 0.00 H new ATOM 807 N GLU A 585 -1.895 13.620 -1.547 1.00 0.00 N ATOM 808 CA GLU A 585 -1.964 15.036 -1.888 1.00 0.00 C ATOM 809 C GLU A 585 -3.413 15.494 -2.021 1.00 0.00 C ATOM 810 O GLU A 585 -3.805 16.519 -1.464 1.00 0.00 O ATOM 811 CB GLU A 585 -1.211 15.305 -3.192 1.00 0.00 C ATOM 812 CG GLU A 585 0.301 15.248 -3.046 1.00 0.00 C ATOM 813 CD GLU A 585 1.024 15.531 -4.348 1.00 0.00 C ATOM 814 OE1 GLU A 585 0.517 15.118 -5.412 1.00 0.00 O ATOM 815 OE2 GLU A 585 2.098 16.167 -4.303 1.00 0.00 O ATOM 0 H GLU A 585 -1.712 13.003 -2.339 1.00 0.00 H new ATOM 0 HA GLU A 585 -1.496 15.601 -1.082 1.00 0.00 H new ATOM 0 HB2 GLU A 585 -1.523 14.575 -3.939 1.00 0.00 H new ATOM 0 HB3 GLU A 585 -1.494 16.288 -3.569 1.00 0.00 H new ATOM 0 HG2 GLU A 585 0.617 15.972 -2.295 1.00 0.00 H new ATOM 0 HG3 GLU A 585 0.590 14.262 -2.681 1.00 0.00 H new ATOM 822 N SER A 586 -4.205 14.726 -2.763 1.00 0.00 N ATOM 823 CA SER A 586 -5.610 15.054 -2.973 1.00 0.00 C ATOM 824 C SER A 586 -6.514 14.073 -2.232 1.00 0.00 C ATOM 825 O SER A 586 -6.115 12.960 -1.888 1.00 0.00 O ATOM 826 CB SER A 586 -5.940 15.041 -4.466 1.00 0.00 C ATOM 827 OG SER A 586 -5.710 16.312 -5.050 1.00 0.00 O ATOM 0 H SER A 586 -3.897 13.872 -3.229 1.00 0.00 H new ATOM 0 HA SER A 586 -5.787 16.054 -2.577 1.00 0.00 H new ATOM 0 HB2 SER A 586 -5.331 14.290 -4.970 1.00 0.00 H new ATOM 0 HB3 SER A 586 -6.982 14.755 -4.609 1.00 0.00 H new ATOM 0 HG SER A 586 -5.927 16.277 -6.005 1.00 0.00 H new ATOM 833 N PRO A 587 -7.762 14.494 -1.980 1.00 0.00 N ATOM 834 CA PRO A 587 -8.749 13.669 -1.278 1.00 0.00 C ATOM 835 C PRO A 587 -9.214 12.483 -2.116 1.00 0.00 C ATOM 836 O PRO A 587 -9.367 11.374 -1.606 1.00 0.00 O ATOM 837 CB PRO A 587 -9.909 14.637 -1.031 1.00 0.00 C ATOM 838 CG PRO A 587 -9.779 15.665 -2.102 1.00 0.00 C ATOM 839 CD PRO A 587 -8.305 15.809 -2.361 1.00 0.00 C ATOM 0 HA PRO A 587 -8.340 13.231 -0.367 1.00 0.00 H new ATOM 0 HB2 PRO A 587 -10.870 14.126 -1.087 1.00 0.00 H new ATOM 0 HB3 PRO A 587 -9.845 15.087 -0.040 1.00 0.00 H new ATOM 0 HG2 PRO A 587 -10.306 15.356 -3.005 1.00 0.00 H new ATOM 0 HG3 PRO A 587 -10.214 16.613 -1.787 1.00 0.00 H new ATOM 0 HD2 PRO A 587 -8.101 16.040 -3.407 1.00 0.00 H new ATOM 0 HD3 PRO A 587 -7.869 16.612 -1.766 1.00 0.00 H new ATOM 847 N GLU A 588 -9.437 12.725 -3.404 1.00 0.00 N ATOM 848 CA GLU A 588 -9.885 11.675 -4.311 1.00 0.00 C ATOM 849 C GLU A 588 -8.900 10.510 -4.324 1.00 0.00 C ATOM 850 O GLU A 588 -9.297 9.348 -4.405 1.00 0.00 O ATOM 851 CB GLU A 588 -10.051 12.231 -5.727 1.00 0.00 C ATOM 852 CG GLU A 588 -10.528 11.199 -6.734 1.00 0.00 C ATOM 853 CD GLU A 588 -11.256 11.822 -7.910 1.00 0.00 C ATOM 854 OE1 GLU A 588 -12.302 12.466 -7.684 1.00 0.00 O ATOM 855 OE2 GLU A 588 -10.780 11.666 -9.053 1.00 0.00 O ATOM 0 H GLU A 588 -9.315 13.638 -3.842 1.00 0.00 H new ATOM 0 HA GLU A 588 -10.849 11.310 -3.955 1.00 0.00 H new ATOM 0 HB2 GLU A 588 -10.761 13.058 -5.703 1.00 0.00 H new ATOM 0 HB3 GLU A 588 -9.098 12.639 -6.062 1.00 0.00 H new ATOM 0 HG2 GLU A 588 -9.672 10.632 -7.101 1.00 0.00 H new ATOM 0 HG3 GLU A 588 -11.190 10.490 -6.236 1.00 0.00 H new ATOM 862 N VAL A 589 -7.612 10.830 -4.243 1.00 0.00 N ATOM 863 CA VAL A 589 -6.569 9.811 -4.244 1.00 0.00 C ATOM 864 C VAL A 589 -6.568 9.025 -2.938 1.00 0.00 C ATOM 865 O VAL A 589 -6.234 7.840 -2.915 1.00 0.00 O ATOM 866 CB VAL A 589 -5.176 10.433 -4.457 1.00 0.00 C ATOM 867 CG1 VAL A 589 -4.093 9.373 -4.335 1.00 0.00 C ATOM 868 CG2 VAL A 589 -5.105 11.127 -5.809 1.00 0.00 C ATOM 0 H VAL A 589 -7.266 11.787 -4.176 1.00 0.00 H new ATOM 0 HA VAL A 589 -6.787 9.136 -5.071 1.00 0.00 H new ATOM 0 HB VAL A 589 -5.008 11.180 -3.681 1.00 0.00 H new ATOM 0 HG11 VAL A 589 -3.116 9.832 -4.489 1.00 0.00 H new ATOM 0 HG12 VAL A 589 -4.132 8.926 -3.342 1.00 0.00 H new ATOM 0 HG13 VAL A 589 -4.253 8.601 -5.087 1.00 0.00 H new ATOM 0 HG21 VAL A 589 -4.114 11.561 -5.944 1.00 0.00 H new ATOM 0 HG22 VAL A 589 -5.294 10.402 -6.601 1.00 0.00 H new ATOM 0 HG23 VAL A 589 -5.856 11.916 -5.853 1.00 0.00 H new ATOM 878 N ALA A 590 -6.944 9.692 -1.851 1.00 0.00 N ATOM 879 CA ALA A 590 -6.988 9.055 -0.541 1.00 0.00 C ATOM 880 C ALA A 590 -8.011 7.924 -0.515 1.00 0.00 C ATOM 881 O ALA A 590 -7.677 6.781 -0.202 1.00 0.00 O ATOM 882 CB ALA A 590 -7.308 10.082 0.535 1.00 0.00 C ATOM 0 H ALA A 590 -7.222 10.673 -1.852 1.00 0.00 H new ATOM 0 HA ALA A 590 -6.006 8.627 -0.339 1.00 0.00 H new ATOM 0 HB1 ALA A 590 -7.338 9.592 1.508 1.00 0.00 H new ATOM 0 HB2 ALA A 590 -6.539 10.854 0.541 1.00 0.00 H new ATOM 0 HB3 ALA A 590 -8.277 10.536 0.328 1.00 0.00 H new ATOM 888 N GLU A 591 -9.256 8.250 -0.845 1.00 0.00 N ATOM 889 CA GLU A 591 -10.327 7.261 -0.858 1.00 0.00 C ATOM 890 C GLU A 591 -10.111 6.239 -1.971 1.00 0.00 C ATOM 891 O GLU A 591 -10.530 5.087 -1.860 1.00 0.00 O ATOM 892 CB GLU A 591 -11.683 7.946 -1.037 1.00 0.00 C ATOM 893 CG GLU A 591 -12.102 8.098 -2.490 1.00 0.00 C ATOM 894 CD GLU A 591 -13.068 9.247 -2.701 1.00 0.00 C ATOM 895 OE1 GLU A 591 -12.758 10.372 -2.256 1.00 0.00 O ATOM 896 OE2 GLU A 591 -14.134 9.022 -3.311 1.00 0.00 O ATOM 0 H GLU A 591 -9.548 9.191 -1.107 1.00 0.00 H new ATOM 0 HA GLU A 591 -10.315 6.739 0.099 1.00 0.00 H new ATOM 0 HB2 GLU A 591 -12.443 7.372 -0.507 1.00 0.00 H new ATOM 0 HB3 GLU A 591 -11.647 8.932 -0.573 1.00 0.00 H new ATOM 0 HG2 GLU A 591 -11.216 8.255 -3.105 1.00 0.00 H new ATOM 0 HG3 GLU A 591 -12.565 7.172 -2.829 1.00 0.00 H new ATOM 903 N ARG A 592 -9.454 6.670 -3.042 1.00 0.00 N ATOM 904 CA ARG A 592 -9.183 5.795 -4.176 1.00 0.00 C ATOM 905 C ARG A 592 -8.371 4.578 -3.742 1.00 0.00 C ATOM 906 O ARG A 592 -8.702 3.444 -4.086 1.00 0.00 O ATOM 907 CB ARG A 592 -8.432 6.558 -5.269 1.00 0.00 C ATOM 908 CG ARG A 592 -7.524 5.678 -6.112 1.00 0.00 C ATOM 909 CD ARG A 592 -7.013 6.418 -7.339 1.00 0.00 C ATOM 910 NE ARG A 592 -5.917 7.326 -7.013 1.00 0.00 N ATOM 911 CZ ARG A 592 -5.008 7.726 -7.895 1.00 0.00 C ATOM 912 NH1 ARG A 592 -5.064 7.300 -9.150 1.00 0.00 N ATOM 913 NH2 ARG A 592 -4.040 8.554 -7.523 1.00 0.00 N ATOM 0 H ARG A 592 -9.099 7.620 -3.149 1.00 0.00 H new ATOM 0 HA ARG A 592 -10.138 5.451 -4.573 1.00 0.00 H new ATOM 0 HB2 ARG A 592 -9.155 7.048 -5.920 1.00 0.00 H new ATOM 0 HB3 ARG A 592 -7.835 7.344 -4.807 1.00 0.00 H new ATOM 0 HG2 ARG A 592 -6.679 5.343 -5.510 1.00 0.00 H new ATOM 0 HG3 ARG A 592 -8.067 4.786 -6.424 1.00 0.00 H new ATOM 0 HD2 ARG A 592 -6.677 5.696 -8.084 1.00 0.00 H new ATOM 0 HD3 ARG A 592 -7.830 6.982 -7.788 1.00 0.00 H new ATOM 0 HE ARG A 592 -5.846 7.672 -6.056 1.00 0.00 H new ATOM 0 HH11 ARG A 592 -5.807 6.664 -9.440 1.00 0.00 H new ATOM 0 HH12 ARG A 592 -4.365 7.609 -9.825 1.00 0.00 H new ATOM 0 HH21 ARG A 592 -3.993 8.884 -6.559 1.00 0.00 H new ATOM 0 HH22 ARG A 592 -3.342 8.861 -8.201 1.00 0.00 H new ATOM 927 N ALA A 593 -7.308 4.823 -2.983 1.00 0.00 N ATOM 928 CA ALA A 593 -6.450 3.747 -2.501 1.00 0.00 C ATOM 929 C ALA A 593 -7.227 2.782 -1.612 1.00 0.00 C ATOM 930 O ALA A 593 -6.864 1.612 -1.485 1.00 0.00 O ATOM 931 CB ALA A 593 -5.259 4.320 -1.746 1.00 0.00 C ATOM 0 H ALA A 593 -7.020 5.756 -2.689 1.00 0.00 H new ATOM 0 HA ALA A 593 -6.086 3.191 -3.365 1.00 0.00 H new ATOM 0 HB1 ALA A 593 -4.627 3.506 -1.392 1.00 0.00 H new ATOM 0 HB2 ALA A 593 -4.683 4.964 -2.410 1.00 0.00 H new ATOM 0 HB3 ALA A 593 -5.613 4.901 -0.895 1.00 0.00 H new ATOM 937 N CYS A 594 -8.295 3.280 -0.999 1.00 0.00 N ATOM 938 CA CYS A 594 -9.123 2.461 -0.120 1.00 0.00 C ATOM 939 C CYS A 594 -9.847 1.376 -0.911 1.00 0.00 C ATOM 940 O CYS A 594 -9.706 0.187 -0.624 1.00 0.00 O ATOM 941 CB CYS A 594 -10.139 3.334 0.618 1.00 0.00 C ATOM 942 SG CYS A 594 -9.409 4.747 1.479 1.00 0.00 S ATOM 0 H CYS A 594 -8.608 4.246 -1.094 1.00 0.00 H new ATOM 0 HA CYS A 594 -8.470 1.980 0.609 1.00 0.00 H new ATOM 0 HB2 CYS A 594 -10.876 3.699 -0.097 1.00 0.00 H new ATOM 0 HB3 CYS A 594 -10.674 2.718 1.341 1.00 0.00 H new ATOM 0 HG CYS A 594 -8.716 5.457 0.638 1.00 0.00 H new ATOM 948 N ARG A 595 -10.623 1.794 -1.905 1.00 0.00 N ATOM 949 CA ARG A 595 -11.372 0.857 -2.735 1.00 0.00 C ATOM 950 C ARG A 595 -10.435 -0.137 -3.414 1.00 0.00 C ATOM 951 O ARG A 595 -10.736 -1.326 -3.506 1.00 0.00 O ATOM 952 CB ARG A 595 -12.183 1.613 -3.790 1.00 0.00 C ATOM 953 CG ARG A 595 -13.218 2.558 -3.201 1.00 0.00 C ATOM 954 CD ARG A 595 -13.469 3.748 -4.113 1.00 0.00 C ATOM 955 NE ARG A 595 -14.528 4.615 -3.604 1.00 0.00 N ATOM 956 CZ ARG A 595 -14.714 5.865 -4.011 1.00 0.00 C ATOM 957 NH1 ARG A 595 -13.917 6.392 -4.930 1.00 0.00 N ATOM 958 NH2 ARG A 595 -15.700 6.591 -3.500 1.00 0.00 N ATOM 0 H ARG A 595 -10.750 2.775 -2.156 1.00 0.00 H new ATOM 0 HA ARG A 595 -12.054 0.304 -2.090 1.00 0.00 H new ATOM 0 HB2 ARG A 595 -11.501 2.183 -4.421 1.00 0.00 H new ATOM 0 HB3 ARG A 595 -12.686 0.892 -4.434 1.00 0.00 H new ATOM 0 HG2 ARG A 595 -14.152 2.020 -3.038 1.00 0.00 H new ATOM 0 HG3 ARG A 595 -12.878 2.910 -2.227 1.00 0.00 H new ATOM 0 HD2 ARG A 595 -12.549 4.323 -4.219 1.00 0.00 H new ATOM 0 HD3 ARG A 595 -13.739 3.392 -5.107 1.00 0.00 H new ATOM 0 HE ARG A 595 -15.160 4.240 -2.897 1.00 0.00 H new ATOM 0 HH11 ARG A 595 -13.159 5.837 -5.326 1.00 0.00 H new ATOM 0 HH12 ARG A 595 -14.062 7.353 -5.241 1.00 0.00 H new ATOM 0 HH21 ARG A 595 -16.316 6.189 -2.794 1.00 0.00 H new ATOM 0 HH22 ARG A 595 -15.842 7.551 -3.814 1.00 0.00 H new ATOM 972 N MET A 596 -9.297 0.360 -3.889 1.00 0.00 N ATOM 973 CA MET A 596 -8.316 -0.485 -4.560 1.00 0.00 C ATOM 974 C MET A 596 -7.643 -1.428 -3.568 1.00 0.00 C ATOM 975 O MET A 596 -7.706 -2.648 -3.717 1.00 0.00 O ATOM 976 CB MET A 596 -7.262 0.377 -5.258 1.00 0.00 C ATOM 977 CG MET A 596 -7.833 1.275 -6.343 1.00 0.00 C ATOM 978 SD MET A 596 -6.614 1.709 -7.599 1.00 0.00 S ATOM 979 CE MET A 596 -5.422 2.615 -6.614 1.00 0.00 C ATOM 0 H MET A 596 -9.032 1.343 -3.822 1.00 0.00 H new ATOM 0 HA MET A 596 -8.838 -1.084 -5.307 1.00 0.00 H new ATOM 0 HB2 MET A 596 -6.759 0.995 -4.514 1.00 0.00 H new ATOM 0 HB3 MET A 596 -6.505 -0.273 -5.697 1.00 0.00 H new ATOM 0 HG2 MET A 596 -8.676 0.773 -6.818 1.00 0.00 H new ATOM 0 HG3 MET A 596 -8.220 2.187 -5.888 1.00 0.00 H new ATOM 0 HE1 MET A 596 -4.897 3.331 -7.246 1.00 0.00 H new ATOM 0 HE2 MET A 596 -5.939 3.147 -5.815 1.00 0.00 H new ATOM 0 HE3 MET A 596 -4.704 1.919 -6.181 1.00 0.00 H new ATOM 989 N MET A 597 -6.998 -0.855 -2.557 1.00 0.00 N ATOM 990 CA MET A 597 -6.314 -1.645 -1.541 1.00 0.00 C ATOM 991 C MET A 597 -7.306 -2.499 -0.757 1.00 0.00 C ATOM 992 O MET A 597 -7.295 -3.726 -0.855 1.00 0.00 O ATOM 993 CB MET A 597 -5.544 -0.731 -0.585 1.00 0.00 C ATOM 994 CG MET A 597 -4.419 0.040 -1.256 1.00 0.00 C ATOM 995 SD MET A 597 -3.411 -0.998 -2.332 1.00 0.00 S ATOM 996 CE MET A 597 -1.779 -0.332 -2.012 1.00 0.00 C ATOM 0 H MET A 597 -6.935 0.154 -2.420 1.00 0.00 H new ATOM 0 HA MET A 597 -5.610 -2.307 -2.045 1.00 0.00 H new ATOM 0 HB2 MET A 597 -6.239 -0.024 -0.133 1.00 0.00 H new ATOM 0 HB3 MET A 597 -5.129 -1.332 0.224 1.00 0.00 H new ATOM 0 HG2 MET A 597 -4.842 0.858 -1.839 1.00 0.00 H new ATOM 0 HG3 MET A 597 -3.784 0.488 -0.491 1.00 0.00 H new ATOM 0 HE1 MET A 597 -1.154 -0.461 -2.895 1.00 0.00 H new ATOM 0 HE2 MET A 597 -1.859 0.729 -1.776 1.00 0.00 H new ATOM 0 HE3 MET A 597 -1.330 -0.858 -1.170 1.00 0.00 H new ATOM 1006 N ASN A 598 -8.162 -1.843 0.019 1.00 0.00 N ATOM 1007 CA ASN A 598 -9.160 -2.542 0.819 1.00 0.00 C ATOM 1008 C ASN A 598 -9.655 -3.793 0.099 1.00 0.00 C ATOM 1009 O ASN A 598 -10.534 -3.721 -0.759 1.00 0.00 O ATOM 1010 CB ASN A 598 -10.339 -1.616 1.126 1.00 0.00 C ATOM 1011 CG ASN A 598 -11.193 -2.128 2.270 1.00 0.00 C ATOM 1012 OD1 ASN A 598 -11.162 -3.313 2.601 1.00 0.00 O ATOM 1013 ND2 ASN A 598 -11.962 -1.234 2.880 1.00 0.00 N ATOM 0 H ASN A 598 -8.184 -0.827 0.111 1.00 0.00 H new ATOM 0 HA ASN A 598 -8.692 -2.844 1.756 1.00 0.00 H new ATOM 0 HB2 ASN A 598 -9.963 -0.623 1.373 1.00 0.00 H new ATOM 0 HB3 ASN A 598 -10.957 -1.510 0.234 1.00 0.00 H new ATOM 0 HD21 ASN A 598 -12.559 -1.520 3.656 1.00 0.00 H new ATOM 0 HD22 ASN A 598 -11.956 -0.262 2.572 1.00 0.00 H new ATOM 1020 N GLY A 599 -9.085 -4.940 0.456 1.00 0.00 N ATOM 1021 CA GLY A 599 -9.482 -6.190 -0.165 1.00 0.00 C ATOM 1022 C GLY A 599 -8.303 -6.956 -0.731 1.00 0.00 C ATOM 1023 O GLY A 599 -8.478 -7.975 -1.398 1.00 0.00 O ATOM 0 H GLY A 599 -8.356 -5.026 1.164 1.00 0.00 H new ATOM 0 HA2 GLY A 599 -9.995 -6.810 0.570 1.00 0.00 H new ATOM 0 HA3 GLY A 599 -10.195 -5.985 -0.963 1.00 0.00 H new ATOM 1027 N MET A 600 -7.097 -6.463 -0.466 1.00 0.00 N ATOM 1028 CA MET A 600 -5.884 -7.108 -0.955 1.00 0.00 C ATOM 1029 C MET A 600 -5.251 -7.972 0.131 1.00 0.00 C ATOM 1030 O MET A 600 -4.893 -7.478 1.201 1.00 0.00 O ATOM 1031 CB MET A 600 -4.881 -6.058 -1.437 1.00 0.00 C ATOM 1032 CG MET A 600 -4.327 -5.190 -0.319 1.00 0.00 C ATOM 1033 SD MET A 600 -3.266 -3.866 -0.930 1.00 0.00 S ATOM 1034 CE MET A 600 -2.339 -3.465 0.550 1.00 0.00 C ATOM 0 H MET A 600 -6.934 -5.620 0.084 1.00 0.00 H new ATOM 0 HA MET A 600 -6.157 -7.751 -1.792 1.00 0.00 H new ATOM 0 HB2 MET A 600 -4.055 -6.560 -1.940 1.00 0.00 H new ATOM 0 HB3 MET A 600 -5.363 -5.419 -2.177 1.00 0.00 H new ATOM 0 HG2 MET A 600 -5.154 -4.757 0.244 1.00 0.00 H new ATOM 0 HG3 MET A 600 -3.762 -5.813 0.374 1.00 0.00 H new ATOM 0 HE1 MET A 600 -1.343 -3.119 0.273 1.00 0.00 H new ATOM 0 HE2 MET A 600 -2.856 -2.679 1.101 1.00 0.00 H new ATOM 0 HE3 MET A 600 -2.254 -4.352 1.177 1.00 0.00 H new ATOM 1044 N LYS A 601 -5.117 -9.263 -0.149 1.00 0.00 N ATOM 1045 CA LYS A 601 -4.527 -10.196 0.804 1.00 0.00 C ATOM 1046 C LYS A 601 -3.010 -10.241 0.653 1.00 0.00 C ATOM 1047 O LYS A 601 -2.487 -10.816 -0.303 1.00 0.00 O ATOM 1048 CB LYS A 601 -5.111 -11.597 0.606 1.00 0.00 C ATOM 1049 CG LYS A 601 -6.486 -11.775 1.227 1.00 0.00 C ATOM 1050 CD LYS A 601 -6.710 -13.207 1.684 1.00 0.00 C ATOM 1051 CE LYS A 601 -6.288 -13.402 3.132 1.00 0.00 C ATOM 1052 NZ LYS A 601 -6.515 -14.800 3.592 1.00 0.00 N ATOM 0 H LYS A 601 -5.409 -9.688 -1.029 1.00 0.00 H new ATOM 0 HA LYS A 601 -4.765 -9.848 1.809 1.00 0.00 H new ATOM 0 HB2 LYS A 601 -5.173 -11.808 -0.462 1.00 0.00 H new ATOM 0 HB3 LYS A 601 -4.429 -12.330 1.037 1.00 0.00 H new ATOM 0 HG2 LYS A 601 -6.593 -11.100 2.076 1.00 0.00 H new ATOM 0 HG3 LYS A 601 -7.252 -11.499 0.502 1.00 0.00 H new ATOM 0 HD2 LYS A 601 -7.763 -13.465 1.573 1.00 0.00 H new ATOM 0 HD3 LYS A 601 -6.146 -13.887 1.045 1.00 0.00 H new ATOM 0 HE2 LYS A 601 -5.233 -13.151 3.240 1.00 0.00 H new ATOM 0 HE3 LYS A 601 -6.846 -12.715 3.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 601 -6.215 -14.892 4.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 601 -7.526 -15.032 3.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 601 -5.963 -15.454 3.001 1.00 0.00 H new ATOM 1066 N LEU A 602 -2.307 -9.633 1.602 1.00 0.00 N ATOM 1067 CA LEU A 602 -0.849 -9.605 1.576 1.00 0.00 C ATOM 1068 C LEU A 602 -0.269 -10.867 2.207 1.00 0.00 C ATOM 1069 O LEU A 602 -0.361 -11.066 3.418 1.00 0.00 O ATOM 1070 CB LEU A 602 -0.330 -8.368 2.311 1.00 0.00 C ATOM 1071 CG LEU A 602 -1.016 -7.046 1.967 1.00 0.00 C ATOM 1072 CD1 LEU A 602 -0.406 -5.904 2.765 1.00 0.00 C ATOM 1073 CD2 LEU A 602 -0.920 -6.767 0.474 1.00 0.00 C ATOM 0 H LEU A 602 -2.723 -9.152 2.400 1.00 0.00 H new ATOM 0 HA LEU A 602 -0.529 -9.562 0.535 1.00 0.00 H new ATOM 0 HB2 LEU A 602 -0.430 -8.538 3.383 1.00 0.00 H new ATOM 0 HB3 LEU A 602 0.735 -8.267 2.103 1.00 0.00 H new ATOM 0 HG LEU A 602 -2.070 -7.126 2.234 1.00 0.00 H new ATOM 0 HD11 LEU A 602 -0.907 -4.971 2.507 1.00 0.00 H new ATOM 0 HD12 LEU A 602 -0.528 -6.099 3.830 1.00 0.00 H new ATOM 0 HD13 LEU A 602 0.655 -5.823 2.531 1.00 0.00 H new ATOM 0 HD21 LEU A 602 -1.414 -5.822 0.248 1.00 0.00 H new ATOM 0 HD22 LEU A 602 0.128 -6.708 0.182 1.00 0.00 H new ATOM 0 HD23 LEU A 602 -1.406 -7.571 -0.078 1.00 0.00 H new ATOM 1085 N SER A 603 0.332 -11.714 1.378 1.00 0.00 N ATOM 1086 CA SER A 603 0.927 -12.957 1.855 1.00 0.00 C ATOM 1087 C SER A 603 -0.114 -13.822 2.559 1.00 0.00 C ATOM 1088 O SER A 603 0.210 -14.589 3.465 1.00 0.00 O ATOM 1089 CB SER A 603 2.088 -12.660 2.805 1.00 0.00 C ATOM 1090 OG SER A 603 3.056 -13.695 2.767 1.00 0.00 O ATOM 0 H SER A 603 0.420 -11.562 0.373 1.00 0.00 H new ATOM 0 HA SER A 603 1.305 -13.505 0.992 1.00 0.00 H new ATOM 0 HB2 SER A 603 2.553 -11.713 2.531 1.00 0.00 H new ATOM 0 HB3 SER A 603 1.711 -12.548 3.821 1.00 0.00 H new ATOM 0 HG SER A 603 3.788 -13.481 3.382 1.00 0.00 H new ATOM 1096 N GLY A 604 -1.368 -13.692 2.136 1.00 0.00 N ATOM 1097 CA GLY A 604 -2.438 -14.467 2.737 1.00 0.00 C ATOM 1098 C GLY A 604 -3.047 -13.777 3.941 1.00 0.00 C ATOM 1099 O GLY A 604 -3.506 -14.435 4.875 1.00 0.00 O ATOM 0 H GLY A 604 -1.662 -13.064 1.388 1.00 0.00 H new ATOM 0 HA2 GLY A 604 -3.215 -14.646 1.993 1.00 0.00 H new ATOM 0 HA3 GLY A 604 -2.053 -15.442 3.037 1.00 0.00 H new ATOM 1103 N ARG A 605 -3.050 -12.448 3.921 1.00 0.00 N ATOM 1104 CA ARG A 605 -3.605 -11.669 5.022 1.00 0.00 C ATOM 1105 C ARG A 605 -4.495 -10.546 4.498 1.00 0.00 C ATOM 1106 O ARG A 605 -4.018 -9.614 3.850 1.00 0.00 O ATOM 1107 CB ARG A 605 -2.481 -11.085 5.879 1.00 0.00 C ATOM 1108 CG ARG A 605 -1.709 -12.132 6.666 1.00 0.00 C ATOM 1109 CD ARG A 605 -1.120 -11.548 7.940 1.00 0.00 C ATOM 1110 NE ARG A 605 -0.554 -12.581 8.804 1.00 0.00 N ATOM 1111 CZ ARG A 605 0.611 -13.177 8.572 1.00 0.00 C ATOM 1112 NH1 ARG A 605 1.329 -12.844 7.508 1.00 0.00 N ATOM 1113 NH2 ARG A 605 1.059 -14.107 9.405 1.00 0.00 N ATOM 0 H ARG A 605 -2.675 -11.888 3.155 1.00 0.00 H new ATOM 0 HA ARG A 605 -4.212 -12.335 5.636 1.00 0.00 H new ATOM 0 HB2 ARG A 605 -1.789 -10.543 5.235 1.00 0.00 H new ATOM 0 HB3 ARG A 605 -2.904 -10.360 6.574 1.00 0.00 H new ATOM 0 HG2 ARG A 605 -2.370 -12.961 6.916 1.00 0.00 H new ATOM 0 HG3 ARG A 605 -0.909 -12.538 6.047 1.00 0.00 H new ATOM 0 HD2 ARG A 605 -0.345 -10.825 7.683 1.00 0.00 H new ATOM 0 HD3 ARG A 605 -1.895 -11.006 8.482 1.00 0.00 H new ATOM 0 HE ARG A 605 -1.082 -12.860 9.631 1.00 0.00 H new ATOM 0 HH11 ARG A 605 0.987 -12.129 6.866 1.00 0.00 H new ATOM 0 HH12 ARG A 605 2.223 -13.303 7.332 1.00 0.00 H new ATOM 0 HH21 ARG A 605 0.509 -14.365 10.224 1.00 0.00 H new ATOM 0 HH22 ARG A 605 1.953 -14.564 9.226 1.00 0.00 H new ATOM 1127 N GLU A 606 -5.790 -10.642 4.782 1.00 0.00 N ATOM 1128 CA GLU A 606 -6.746 -9.634 4.338 1.00 0.00 C ATOM 1129 C GLU A 606 -6.643 -8.373 5.190 1.00 0.00 C ATOM 1130 O GLU A 606 -6.367 -8.442 6.388 1.00 0.00 O ATOM 1131 CB GLU A 606 -8.171 -10.189 4.400 1.00 0.00 C ATOM 1132 CG GLU A 606 -9.085 -9.642 3.316 1.00 0.00 C ATOM 1133 CD GLU A 606 -10.535 -9.575 3.754 1.00 0.00 C ATOM 1134 OE1 GLU A 606 -10.812 -8.934 4.790 1.00 0.00 O ATOM 1135 OE2 GLU A 606 -11.392 -10.163 3.062 1.00 0.00 O ATOM 0 H GLU A 606 -6.201 -11.407 5.317 1.00 0.00 H new ATOM 0 HA GLU A 606 -6.508 -9.375 3.306 1.00 0.00 H new ATOM 0 HB2 GLU A 606 -8.133 -11.275 4.317 1.00 0.00 H new ATOM 0 HB3 GLU A 606 -8.600 -9.958 5.375 1.00 0.00 H new ATOM 0 HG2 GLU A 606 -8.749 -8.645 3.032 1.00 0.00 H new ATOM 0 HG3 GLU A 606 -9.006 -10.270 2.429 1.00 0.00 H new ATOM 1142 N ILE A 607 -6.865 -7.223 4.563 1.00 0.00 N ATOM 1143 CA ILE A 607 -6.797 -5.946 5.264 1.00 0.00 C ATOM 1144 C ILE A 607 -8.015 -5.083 4.953 1.00 0.00 C ATOM 1145 O ILE A 607 -8.657 -5.248 3.915 1.00 0.00 O ATOM 1146 CB ILE A 607 -5.521 -5.167 4.892 1.00 0.00 C ATOM 1147 CG1 ILE A 607 -5.287 -5.221 3.381 1.00 0.00 C ATOM 1148 CG2 ILE A 607 -4.321 -5.728 5.639 1.00 0.00 C ATOM 1149 CD1 ILE A 607 -3.983 -4.588 2.949 1.00 0.00 C ATOM 0 H ILE A 607 -7.093 -7.149 3.572 1.00 0.00 H new ATOM 0 HA ILE A 607 -6.777 -6.172 6.330 1.00 0.00 H new ATOM 0 HB ILE A 607 -5.651 -4.125 5.184 1.00 0.00 H new ATOM 0 HG12 ILE A 607 -5.302 -6.261 3.056 1.00 0.00 H new ATOM 0 HG13 ILE A 607 -6.111 -4.717 2.876 1.00 0.00 H new ATOM 0 HG21 ILE A 607 -3.427 -5.167 5.365 1.00 0.00 H new ATOM 0 HG22 ILE A 607 -4.488 -5.643 6.713 1.00 0.00 H new ATOM 0 HG23 ILE A 607 -4.186 -6.777 5.375 1.00 0.00 H new ATOM 0 HD11 ILE A 607 -3.884 -4.663 1.866 1.00 0.00 H new ATOM 0 HD12 ILE A 607 -3.973 -3.538 3.243 1.00 0.00 H new ATOM 0 HD13 ILE A 607 -3.151 -5.106 3.426 1.00 0.00 H new ATOM 1161 N ASP A 608 -8.327 -4.162 5.858 1.00 0.00 N ATOM 1162 CA ASP A 608 -9.467 -3.270 5.679 1.00 0.00 C ATOM 1163 C ASP A 608 -9.020 -1.811 5.680 1.00 0.00 C ATOM 1164 O ASP A 608 -8.651 -1.265 6.720 1.00 0.00 O ATOM 1165 CB ASP A 608 -10.500 -3.501 6.783 1.00 0.00 C ATOM 1166 CG ASP A 608 -11.520 -4.558 6.408 1.00 0.00 C ATOM 1167 OD1 ASP A 608 -12.144 -4.427 5.334 1.00 0.00 O ATOM 1168 OD2 ASP A 608 -11.694 -5.517 7.189 1.00 0.00 O ATOM 0 H ASP A 608 -7.807 -4.013 6.723 1.00 0.00 H new ATOM 0 HA ASP A 608 -9.923 -3.491 4.714 1.00 0.00 H new ATOM 0 HB2 ASP A 608 -9.989 -3.801 7.698 1.00 0.00 H new ATOM 0 HB3 ASP A 608 -11.014 -2.564 6.998 1.00 0.00 H new ATOM 1173 N VAL A 609 -9.056 -1.185 4.508 1.00 0.00 N ATOM 1174 CA VAL A 609 -8.656 0.210 4.374 1.00 0.00 C ATOM 1175 C VAL A 609 -9.870 1.131 4.358 1.00 0.00 C ATOM 1176 O VAL A 609 -10.932 0.768 3.851 1.00 0.00 O ATOM 1177 CB VAL A 609 -7.836 0.437 3.090 1.00 0.00 C ATOM 1178 CG1 VAL A 609 -7.145 1.792 3.130 1.00 0.00 C ATOM 1179 CG2 VAL A 609 -6.823 -0.681 2.899 1.00 0.00 C ATOM 0 H VAL A 609 -9.358 -1.622 3.638 1.00 0.00 H new ATOM 0 HA VAL A 609 -8.036 0.446 5.239 1.00 0.00 H new ATOM 0 HB VAL A 609 -8.517 0.428 2.239 1.00 0.00 H new ATOM 0 HG11 VAL A 609 -6.571 1.935 2.215 1.00 0.00 H new ATOM 0 HG12 VAL A 609 -7.894 2.580 3.215 1.00 0.00 H new ATOM 0 HG13 VAL A 609 -6.475 1.834 3.989 1.00 0.00 H new ATOM 0 HG21 VAL A 609 -6.253 -0.504 1.987 1.00 0.00 H new ATOM 0 HG22 VAL A 609 -6.145 -0.707 3.752 1.00 0.00 H new ATOM 0 HG23 VAL A 609 -7.344 -1.635 2.821 1.00 0.00 H new ATOM 1189 N ARG A 610 -9.707 2.326 4.917 1.00 0.00 N ATOM 1190 CA ARG A 610 -10.791 3.300 4.968 1.00 0.00 C ATOM 1191 C ARG A 610 -10.244 4.713 5.151 1.00 0.00 C ATOM 1192 O ARG A 610 -9.072 4.897 5.481 1.00 0.00 O ATOM 1193 CB ARG A 610 -11.755 2.963 6.107 1.00 0.00 C ATOM 1194 CG ARG A 610 -11.057 2.614 7.412 1.00 0.00 C ATOM 1195 CD ARG A 610 -10.456 1.218 7.366 1.00 0.00 C ATOM 1196 NE ARG A 610 -10.315 0.638 8.698 1.00 0.00 N ATOM 1197 CZ ARG A 610 -11.344 0.248 9.442 1.00 0.00 C ATOM 1198 NH1 ARG A 610 -12.582 0.375 8.986 1.00 0.00 N ATOM 1199 NH2 ARG A 610 -11.136 -0.271 10.646 1.00 0.00 N ATOM 0 H ARG A 610 -8.835 2.643 5.341 1.00 0.00 H new ATOM 0 HA ARG A 610 -11.329 3.257 4.021 1.00 0.00 H new ATOM 0 HB2 ARG A 610 -12.417 3.812 6.275 1.00 0.00 H new ATOM 0 HB3 ARG A 610 -12.382 2.125 5.805 1.00 0.00 H new ATOM 0 HG2 ARG A 610 -10.272 3.343 7.612 1.00 0.00 H new ATOM 0 HG3 ARG A 610 -11.769 2.678 8.235 1.00 0.00 H new ATOM 0 HD2 ARG A 610 -11.086 0.572 6.754 1.00 0.00 H new ATOM 0 HD3 ARG A 610 -9.479 1.260 6.884 1.00 0.00 H new ATOM 0 HE ARG A 610 -9.375 0.526 9.078 1.00 0.00 H new ATOM 0 HH11 ARG A 610 -12.747 0.773 8.061 1.00 0.00 H new ATOM 0 HH12 ARG A 610 -13.370 0.075 9.560 1.00 0.00 H new ATOM 0 HH21 ARG A 610 -10.185 -0.371 11.001 1.00 0.00 H new ATOM 0 HH22 ARG A 610 -11.927 -0.570 11.216 1.00 0.00 H new ATOM 1213 N ILE A 611 -11.100 5.706 4.935 1.00 0.00 N ATOM 1214 CA ILE A 611 -10.702 7.101 5.077 1.00 0.00 C ATOM 1215 C ILE A 611 -10.713 7.530 6.540 1.00 0.00 C ATOM 1216 O ILE A 611 -11.767 7.579 7.175 1.00 0.00 O ATOM 1217 CB ILE A 611 -11.627 8.034 4.273 1.00 0.00 C ATOM 1218 CG1 ILE A 611 -11.466 7.779 2.773 1.00 0.00 C ATOM 1219 CG2 ILE A 611 -11.328 9.489 4.603 1.00 0.00 C ATOM 1220 CD1 ILE A 611 -10.125 8.215 2.226 1.00 0.00 C ATOM 0 H ILE A 611 -12.073 5.570 4.661 1.00 0.00 H new ATOM 0 HA ILE A 611 -9.688 7.182 4.685 1.00 0.00 H new ATOM 0 HB ILE A 611 -12.660 7.824 4.550 1.00 0.00 H new ATOM 0 HG12 ILE A 611 -11.601 6.715 2.577 1.00 0.00 H new ATOM 0 HG13 ILE A 611 -12.256 8.304 2.237 1.00 0.00 H new ATOM 0 HG21 ILE A 611 -11.990 10.136 4.027 1.00 0.00 H new ATOM 0 HG22 ILE A 611 -11.488 9.661 5.667 1.00 0.00 H new ATOM 0 HG23 ILE A 611 -10.292 9.714 4.351 1.00 0.00 H new ATOM 0 HD11 ILE A 611 -10.082 8.004 1.158 1.00 0.00 H new ATOM 0 HD12 ILE A 611 -9.996 9.285 2.390 1.00 0.00 H new ATOM 0 HD13 ILE A 611 -9.330 7.671 2.736 1.00 0.00 H new ATOM 1232 N ASP A 612 -9.535 7.840 7.068 1.00 0.00 N ATOM 1233 CA ASP A 612 -9.408 8.268 8.457 1.00 0.00 C ATOM 1234 C ASP A 612 -9.194 9.776 8.543 1.00 0.00 C ATOM 1235 O ASP A 612 -8.094 10.240 8.844 1.00 0.00 O ATOM 1236 CB ASP A 612 -8.250 7.536 9.135 1.00 0.00 C ATOM 1237 CG ASP A 612 -8.472 7.354 10.624 1.00 0.00 C ATOM 1238 OD1 ASP A 612 -9.579 6.923 11.010 1.00 0.00 O ATOM 1239 OD2 ASP A 612 -7.539 7.642 11.402 1.00 0.00 O ATOM 0 H ASP A 612 -8.654 7.803 6.556 1.00 0.00 H new ATOM 0 HA ASP A 612 -10.335 8.021 8.974 1.00 0.00 H new ATOM 0 HB2 ASP A 612 -8.118 6.560 8.668 1.00 0.00 H new ATOM 0 HB3 ASP A 612 -7.327 8.094 8.974 1.00 0.00 H new