USER MOD reduce.3.24.130724 H: found=0, std=0, add=551, rem=0, adj=14 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 561 CYS SG : rot -130:sc= -0.607 USER MOD Set 1.2: A 596 MET CE :methyl -145:sc= -0.352 (180deg=-0.468) USER MOD Single : A 544 ASN : amide:sc= -1.03 X(o=-1,f=-1.2) USER MOD Single : A 550 THR OG1 : rot 180:sc= 0 USER MOD Single : A 552 LYS NZ :NH3+ 153:sc=0.000826 (180deg=-0.331) USER MOD Single : A 553 MET CE :methyl -159:sc= -0.0404 (180deg=-0.325) 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= -2.53 K(o=-2.5,f=-9.9!) USER MOD Single : A 563 HIS : no HE2:sc= -1.78 X(o=-1.8,f=-1.4) USER MOD Single : A 566 TYR OH : rot 180:sc= -0.826 USER MOD Single : A 570 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 577 LYS NZ :NH3+ -107:sc= -1.41 (180deg=-4.02!) USER MOD Single : A 579 CYS SG : rot 17:sc= -1.07 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 72:sc= -0.0455 USER MOD Single : A 597 MET CE :methyl -149:sc= -3.26! (180deg=-5.68!) USER MOD Single : A 598 ASN : amide:sc= -3.92! C(o=-3.9!,f=-8.1!) USER MOD Single : A 600 MET CE :methyl 143:sc= -8.84! (180deg=-13.8!) 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 -5.982 11.459 5.365 1.00 0.00 N ATOM 60 CA GLY A 539 -5.183 10.262 5.552 1.00 0.00 C ATOM 61 C GLY A 539 -6.029 9.042 5.859 1.00 0.00 C ATOM 62 O GLY A 539 -6.857 9.066 6.770 1.00 0.00 O ATOM 0 HA2 GLY A 539 -4.596 10.076 4.652 1.00 0.00 H new ATOM 0 HA3 GLY A 539 -4.476 10.424 6.366 1.00 0.00 H new ATOM 66 N ILE A 540 -5.822 7.974 5.097 1.00 0.00 N ATOM 67 CA ILE A 540 -6.573 6.740 5.292 1.00 0.00 C ATOM 68 C ILE A 540 -5.997 5.923 6.444 1.00 0.00 C ATOM 69 O ILE A 540 -5.081 6.366 7.137 1.00 0.00 O ATOM 70 CB ILE A 540 -6.578 5.876 4.017 1.00 0.00 C ATOM 71 CG1 ILE A 540 -5.226 5.182 3.840 1.00 0.00 C ATOM 72 CG2 ILE A 540 -6.906 6.729 2.801 1.00 0.00 C ATOM 73 CD1 ILE A 540 -5.210 4.168 2.717 1.00 0.00 C ATOM 0 H ILE A 540 -5.141 7.938 4.339 1.00 0.00 H new ATOM 0 HA ILE A 540 -7.597 7.028 5.530 1.00 0.00 H new ATOM 0 HB ILE A 540 -7.347 5.110 4.117 1.00 0.00 H new ATOM 0 HG12 ILE A 540 -4.462 5.936 3.649 1.00 0.00 H new ATOM 0 HG13 ILE A 540 -4.957 4.684 4.772 1.00 0.00 H new ATOM 0 HG21 ILE A 540 -6.906 6.104 1.908 1.00 0.00 H new ATOM 0 HG22 ILE A 540 -7.890 7.180 2.928 1.00 0.00 H new ATOM 0 HG23 ILE A 540 -6.158 7.514 2.695 1.00 0.00 H new ATOM 0 HD11 ILE A 540 -4.221 3.716 2.649 1.00 0.00 H new ATOM 0 HD12 ILE A 540 -5.950 3.393 2.916 1.00 0.00 H new ATOM 0 HD13 ILE A 540 -5.447 4.664 1.776 1.00 0.00 H new ATOM 85 N PHE A 541 -6.540 4.726 6.643 1.00 0.00 N ATOM 86 CA PHE A 541 -6.080 3.845 7.710 1.00 0.00 C ATOM 87 C PHE A 541 -6.130 2.385 7.270 1.00 0.00 C ATOM 88 O PHE A 541 -6.995 1.990 6.488 1.00 0.00 O ATOM 89 CB PHE A 541 -6.933 4.042 8.965 1.00 0.00 C ATOM 90 CG PHE A 541 -6.206 3.722 10.240 1.00 0.00 C ATOM 91 CD1 PHE A 541 -6.058 2.409 10.658 1.00 0.00 C ATOM 92 CD2 PHE A 541 -5.672 4.734 11.021 1.00 0.00 C ATOM 93 CE1 PHE A 541 -5.390 2.112 11.831 1.00 0.00 C ATOM 94 CE2 PHE A 541 -5.002 4.443 12.194 1.00 0.00 C ATOM 95 CZ PHE A 541 -4.862 3.130 12.600 1.00 0.00 C ATOM 0 H PHE A 541 -7.299 4.344 6.079 1.00 0.00 H new ATOM 0 HA PHE A 541 -5.045 4.101 7.938 1.00 0.00 H new ATOM 0 HB2 PHE A 541 -7.277 5.075 9.002 1.00 0.00 H new ATOM 0 HB3 PHE A 541 -7.820 3.413 8.894 1.00 0.00 H new ATOM 0 HD1 PHE A 541 -6.469 1.609 10.060 1.00 0.00 H new ATOM 0 HD2 PHE A 541 -5.781 5.762 10.709 1.00 0.00 H new ATOM 0 HE1 PHE A 541 -5.281 1.085 12.146 1.00 0.00 H new ATOM 0 HE2 PHE A 541 -4.588 5.241 12.793 1.00 0.00 H new ATOM 0 HZ PHE A 541 -4.340 2.900 13.517 1.00 0.00 H new ATOM 105 N VAL A 542 -5.196 1.588 7.778 1.00 0.00 N ATOM 106 CA VAL A 542 -5.133 0.171 7.440 1.00 0.00 C ATOM 107 C VAL A 542 -5.026 -0.690 8.693 1.00 0.00 C ATOM 108 O VAL A 542 -4.488 -0.256 9.712 1.00 0.00 O ATOM 109 CB VAL A 542 -3.937 -0.133 6.518 1.00 0.00 C ATOM 110 CG1 VAL A 542 -4.123 -1.474 5.826 1.00 0.00 C ATOM 111 CG2 VAL A 542 -3.754 0.981 5.498 1.00 0.00 C ATOM 0 H VAL A 542 -4.472 1.899 8.426 1.00 0.00 H new ATOM 0 HA VAL A 542 -6.058 -0.070 6.916 1.00 0.00 H new ATOM 0 HB VAL A 542 -3.036 -0.188 7.128 1.00 0.00 H new ATOM 0 HG11 VAL A 542 -3.268 -1.671 5.179 1.00 0.00 H new ATOM 0 HG12 VAL A 542 -4.201 -2.262 6.575 1.00 0.00 H new ATOM 0 HG13 VAL A 542 -5.034 -1.451 5.227 1.00 0.00 H new ATOM 0 HG21 VAL A 542 -2.905 0.750 4.855 1.00 0.00 H new ATOM 0 HG22 VAL A 542 -4.655 1.070 4.891 1.00 0.00 H new ATOM 0 HG23 VAL A 542 -3.571 1.922 6.016 1.00 0.00 H new ATOM 121 N ARG A 543 -5.540 -1.912 8.611 1.00 0.00 N ATOM 122 CA ARG A 543 -5.503 -2.834 9.739 1.00 0.00 C ATOM 123 C ARG A 543 -5.319 -4.272 9.261 1.00 0.00 C ATOM 124 O ARG A 543 -5.704 -4.619 8.145 1.00 0.00 O ATOM 125 CB ARG A 543 -6.788 -2.720 10.561 1.00 0.00 C ATOM 126 CG ARG A 543 -6.743 -1.623 11.612 1.00 0.00 C ATOM 127 CD ARG A 543 -7.773 -1.857 12.707 1.00 0.00 C ATOM 128 NE ARG A 543 -7.495 -3.072 13.469 1.00 0.00 N ATOM 129 CZ ARG A 543 -8.159 -3.419 14.565 1.00 0.00 C ATOM 130 NH1 ARG A 543 -9.134 -2.649 15.026 1.00 0.00 N ATOM 131 NH2 ARG A 543 -7.848 -4.541 15.203 1.00 0.00 N ATOM 0 H ARG A 543 -5.987 -2.287 7.775 1.00 0.00 H new ATOM 0 HA ARG A 543 -4.653 -2.566 10.366 1.00 0.00 H new ATOM 0 HB2 ARG A 543 -7.625 -2.532 9.888 1.00 0.00 H new ATOM 0 HB3 ARG A 543 -6.981 -3.674 11.052 1.00 0.00 H new ATOM 0 HG2 ARG A 543 -5.747 -1.580 12.052 1.00 0.00 H new ATOM 0 HG3 ARG A 543 -6.925 -0.658 11.140 1.00 0.00 H new ATOM 0 HD2 ARG A 543 -7.786 -1.001 13.382 1.00 0.00 H new ATOM 0 HD3 ARG A 543 -8.766 -1.927 12.262 1.00 0.00 H new ATOM 0 HE ARG A 543 -6.750 -3.687 13.141 1.00 0.00 H new ATOM 0 HH11 ARG A 543 -9.377 -1.787 14.538 1.00 0.00 H new ATOM 0 HH12 ARG A 543 -9.642 -2.919 15.868 1.00 0.00 H new ATOM 0 HH21 ARG A 543 -7.099 -5.137 14.851 1.00 0.00 H new ATOM 0 HH22 ARG A 543 -8.358 -4.807 16.045 1.00 0.00 H new ATOM 145 N ASN A 544 -4.728 -5.102 10.113 1.00 0.00 N ATOM 146 CA ASN A 544 -4.492 -6.502 9.777 1.00 0.00 C ATOM 147 C ASN A 544 -3.333 -6.637 8.793 1.00 0.00 C ATOM 148 O ASN A 544 -3.403 -7.412 7.838 1.00 0.00 O ATOM 149 CB ASN A 544 -5.756 -7.125 9.182 1.00 0.00 C ATOM 150 CG ASN A 544 -5.748 -8.640 9.265 1.00 0.00 C ATOM 151 OD1 ASN A 544 -6.348 -9.226 10.166 1.00 0.00 O ATOM 152 ND2 ASN A 544 -5.065 -9.280 8.323 1.00 0.00 N ATOM 0 H ASN A 544 -4.404 -4.830 11.041 1.00 0.00 H new ATOM 0 HA ASN A 544 -4.231 -7.031 10.693 1.00 0.00 H new ATOM 0 HB2 ASN A 544 -6.630 -6.740 9.707 1.00 0.00 H new ATOM 0 HB3 ASN A 544 -5.851 -6.821 8.139 1.00 0.00 H new ATOM 0 HD21 ASN A 544 -5.023 -10.299 8.327 1.00 0.00 H new ATOM 0 HD22 ASN A 544 -4.583 -8.752 7.595 1.00 0.00 H new ATOM 159 N LEU A 545 -2.269 -5.879 9.033 1.00 0.00 N ATOM 160 CA LEU A 545 -1.094 -5.914 8.169 1.00 0.00 C ATOM 161 C LEU A 545 -0.077 -6.932 8.674 1.00 0.00 C ATOM 162 O LEU A 545 0.134 -7.091 9.877 1.00 0.00 O ATOM 163 CB LEU A 545 -0.451 -4.528 8.094 1.00 0.00 C ATOM 164 CG LEU A 545 -1.169 -3.502 7.216 1.00 0.00 C ATOM 165 CD1 LEU A 545 -0.751 -2.090 7.596 1.00 0.00 C ATOM 166 CD2 LEU A 545 -0.884 -3.766 5.745 1.00 0.00 C ATOM 0 H LEU A 545 -2.196 -5.233 9.819 1.00 0.00 H new ATOM 0 HA LEU A 545 -1.416 -6.213 7.171 1.00 0.00 H new ATOM 0 HB2 LEU A 545 -0.382 -4.126 9.105 1.00 0.00 H new ATOM 0 HB3 LEU A 545 0.569 -4.642 7.726 1.00 0.00 H new ATOM 0 HG LEU A 545 -2.242 -3.599 7.381 1.00 0.00 H new ATOM 0 HD11 LEU A 545 -1.272 -1.373 6.961 1.00 0.00 H new ATOM 0 HD12 LEU A 545 -1.006 -1.903 8.639 1.00 0.00 H new ATOM 0 HD13 LEU A 545 0.325 -1.980 7.461 1.00 0.00 H new ATOM 0 HD21 LEU A 545 -1.403 -3.026 5.135 1.00 0.00 H new ATOM 0 HD22 LEU A 545 0.189 -3.697 5.564 1.00 0.00 H new ATOM 0 HD23 LEU A 545 -1.233 -4.764 5.480 1.00 0.00 H new ATOM 178 N PRO A 546 0.570 -7.638 7.735 1.00 0.00 N ATOM 179 CA PRO A 546 1.578 -8.651 8.061 1.00 0.00 C ATOM 180 C PRO A 546 2.857 -8.038 8.621 1.00 0.00 C ATOM 181 O PRO A 546 3.436 -7.130 8.023 1.00 0.00 O ATOM 182 CB PRO A 546 1.853 -9.324 6.714 1.00 0.00 C ATOM 183 CG PRO A 546 1.505 -8.292 5.697 1.00 0.00 C ATOM 184 CD PRO A 546 0.369 -7.501 6.283 1.00 0.00 C ATOM 0 HA PRO A 546 1.231 -9.337 8.833 1.00 0.00 H new ATOM 0 HB2 PRO A 546 2.896 -9.628 6.629 1.00 0.00 H new ATOM 0 HB3 PRO A 546 1.248 -10.222 6.589 1.00 0.00 H new ATOM 0 HG2 PRO A 546 2.359 -7.649 5.485 1.00 0.00 H new ATOM 0 HG3 PRO A 546 1.213 -8.755 4.755 1.00 0.00 H new ATOM 0 HD2 PRO A 546 0.402 -6.458 5.970 1.00 0.00 H new ATOM 0 HD3 PRO A 546 -0.598 -7.896 5.972 1.00 0.00 H new ATOM 192 N PHE A 547 3.294 -8.539 9.771 1.00 0.00 N ATOM 193 CA PHE A 547 4.505 -8.040 10.413 1.00 0.00 C ATOM 194 C PHE A 547 5.560 -7.675 9.372 1.00 0.00 C ATOM 195 O PHE A 547 5.970 -6.518 9.268 1.00 0.00 O ATOM 196 CB PHE A 547 5.065 -9.086 11.378 1.00 0.00 C ATOM 197 CG PHE A 547 4.051 -9.599 12.360 1.00 0.00 C ATOM 198 CD1 PHE A 547 3.470 -8.747 13.285 1.00 0.00 C ATOM 199 CD2 PHE A 547 3.679 -10.934 12.359 1.00 0.00 C ATOM 200 CE1 PHE A 547 2.536 -9.216 14.190 1.00 0.00 C ATOM 201 CE2 PHE A 547 2.746 -11.409 13.261 1.00 0.00 C ATOM 202 CZ PHE A 547 2.175 -10.549 14.179 1.00 0.00 C ATOM 0 H PHE A 547 2.827 -9.291 10.278 1.00 0.00 H new ATOM 0 HA PHE A 547 4.246 -7.142 10.974 1.00 0.00 H new ATOM 0 HB2 PHE A 547 5.459 -9.924 10.804 1.00 0.00 H new ATOM 0 HB3 PHE A 547 5.902 -8.653 11.925 1.00 0.00 H new ATOM 0 HD1 PHE A 547 3.750 -7.704 13.299 1.00 0.00 H new ATOM 0 HD2 PHE A 547 4.124 -11.611 11.645 1.00 0.00 H new ATOM 0 HE1 PHE A 547 2.089 -8.541 14.905 1.00 0.00 H new ATOM 0 HE2 PHE A 547 2.464 -12.451 13.248 1.00 0.00 H new ATOM 0 HZ PHE A 547 1.448 -10.918 14.887 1.00 0.00 H new ATOM 212 N ASP A 548 5.995 -8.668 8.606 1.00 0.00 N ATOM 213 CA ASP A 548 7.002 -8.453 7.573 1.00 0.00 C ATOM 214 C ASP A 548 6.851 -7.070 6.947 1.00 0.00 C ATOM 215 O ASP A 548 7.839 -6.384 6.687 1.00 0.00 O ATOM 216 CB ASP A 548 6.893 -9.530 6.493 1.00 0.00 C ATOM 217 CG ASP A 548 6.619 -10.905 7.071 1.00 0.00 C ATOM 218 OD1 ASP A 548 6.941 -11.124 8.258 1.00 0.00 O ATOM 219 OD2 ASP A 548 6.084 -11.762 6.337 1.00 0.00 O ATOM 0 H ASP A 548 5.666 -9.631 8.680 1.00 0.00 H new ATOM 0 HA ASP A 548 7.985 -8.516 8.039 1.00 0.00 H new ATOM 0 HB2 ASP A 548 6.095 -9.265 5.799 1.00 0.00 H new ATOM 0 HB3 ASP A 548 7.819 -9.559 5.918 1.00 0.00 H new ATOM 224 N PHE A 549 5.607 -6.668 6.705 1.00 0.00 N ATOM 225 CA PHE A 549 5.327 -5.368 6.107 1.00 0.00 C ATOM 226 C PHE A 549 6.108 -4.264 6.814 1.00 0.00 C ATOM 227 O PHE A 549 5.997 -4.088 8.028 1.00 0.00 O ATOM 228 CB PHE A 549 3.828 -5.067 6.170 1.00 0.00 C ATOM 229 CG PHE A 549 3.341 -4.208 5.038 1.00 0.00 C ATOM 230 CD1 PHE A 549 3.023 -4.770 3.812 1.00 0.00 C ATOM 231 CD2 PHE A 549 3.202 -2.839 5.200 1.00 0.00 C ATOM 232 CE1 PHE A 549 2.576 -3.981 2.768 1.00 0.00 C ATOM 233 CE2 PHE A 549 2.755 -2.046 4.160 1.00 0.00 C ATOM 234 CZ PHE A 549 2.440 -2.618 2.943 1.00 0.00 C ATOM 0 H PHE A 549 4.778 -7.224 6.914 1.00 0.00 H new ATOM 0 HA PHE A 549 5.642 -5.401 5.064 1.00 0.00 H new ATOM 0 HB2 PHE A 549 3.276 -6.007 6.166 1.00 0.00 H new ATOM 0 HB3 PHE A 549 3.605 -4.571 7.114 1.00 0.00 H new ATOM 0 HD1 PHE A 549 3.125 -5.836 3.670 1.00 0.00 H new ATOM 0 HD2 PHE A 549 3.446 -2.386 6.150 1.00 0.00 H new ATOM 0 HE1 PHE A 549 2.333 -4.430 1.816 1.00 0.00 H new ATOM 0 HE2 PHE A 549 2.652 -0.980 4.299 1.00 0.00 H new ATOM 0 HZ PHE A 549 2.088 -2.001 2.130 1.00 0.00 H new ATOM 244 N THR A 550 6.901 -3.523 6.045 1.00 0.00 N ATOM 245 CA THR A 550 7.702 -2.438 6.596 1.00 0.00 C ATOM 246 C THR A 550 7.237 -1.087 6.066 1.00 0.00 C ATOM 247 O THR A 550 6.726 -0.990 4.951 1.00 0.00 O ATOM 248 CB THR A 550 9.196 -2.619 6.266 1.00 0.00 C ATOM 249 OG1 THR A 550 9.369 -2.783 4.854 1.00 0.00 O ATOM 250 CG2 THR A 550 9.769 -3.825 6.995 1.00 0.00 C ATOM 0 H THR A 550 7.005 -3.655 5.039 1.00 0.00 H new ATOM 0 HA THR A 550 7.570 -2.466 7.678 1.00 0.00 H new ATOM 0 HB THR A 550 9.729 -1.727 6.596 1.00 0.00 H new ATOM 0 HG1 THR A 550 10.321 -2.896 4.652 1.00 0.00 H new ATOM 0 HG21 THR A 550 10.825 -3.933 6.746 1.00 0.00 H new ATOM 0 HG22 THR A 550 9.662 -3.685 8.071 1.00 0.00 H new ATOM 0 HG23 THR A 550 9.231 -4.723 6.691 1.00 0.00 H new ATOM 258 N TRP A 551 7.417 -0.047 6.873 1.00 0.00 N ATOM 259 CA TRP A 551 7.015 1.300 6.484 1.00 0.00 C ATOM 260 C TRP A 551 7.278 1.540 5.001 1.00 0.00 C ATOM 261 O TRP A 551 6.418 2.047 4.281 1.00 0.00 O ATOM 262 CB TRP A 551 7.762 2.339 7.322 1.00 0.00 C ATOM 263 CG TRP A 551 9.237 2.367 7.057 1.00 0.00 C ATOM 264 CD1 TRP A 551 10.194 1.610 7.670 1.00 0.00 C ATOM 265 CD2 TRP A 551 9.922 3.195 6.111 1.00 0.00 C ATOM 266 NE1 TRP A 551 11.433 1.918 7.163 1.00 0.00 N ATOM 267 CE2 TRP A 551 11.293 2.886 6.204 1.00 0.00 C ATOM 268 CE3 TRP A 551 9.511 4.165 5.193 1.00 0.00 C ATOM 269 CZ2 TRP A 551 12.252 3.515 5.415 1.00 0.00 C ATOM 270 CZ3 TRP A 551 10.464 4.788 4.410 1.00 0.00 C ATOM 271 CH2 TRP A 551 11.822 4.461 4.524 1.00 0.00 C ATOM 0 H TRP A 551 7.838 -0.111 7.800 1.00 0.00 H new ATOM 0 HA TRP A 551 5.945 1.399 6.664 1.00 0.00 H new ATOM 0 HB2 TRP A 551 7.345 3.326 7.120 1.00 0.00 H new ATOM 0 HB3 TRP A 551 7.594 2.132 8.379 1.00 0.00 H new ATOM 0 HD1 TRP A 551 10.005 0.877 8.440 1.00 0.00 H new ATOM 0 HE1 TRP A 551 12.314 1.495 7.454 1.00 0.00 H new ATOM 0 HE3 TRP A 551 8.467 4.423 5.097 1.00 0.00 H new ATOM 0 HZ2 TRP A 551 13.299 3.265 5.503 1.00 0.00 H new ATOM 0 HZ3 TRP A 551 10.157 5.540 3.698 1.00 0.00 H new ATOM 0 HH2 TRP A 551 12.543 4.965 3.897 1.00 0.00 H new ATOM 282 N LYS A 552 8.473 1.172 4.550 1.00 0.00 N ATOM 283 CA LYS A 552 8.849 1.345 3.152 1.00 0.00 C ATOM 284 C LYS A 552 7.731 0.880 2.225 1.00 0.00 C ATOM 285 O LYS A 552 7.383 1.566 1.265 1.00 0.00 O ATOM 286 CB LYS A 552 10.133 0.570 2.849 1.00 0.00 C ATOM 287 CG LYS A 552 11.401 1.357 3.130 1.00 0.00 C ATOM 288 CD LYS A 552 12.615 0.708 2.488 1.00 0.00 C ATOM 289 CE LYS A 552 13.904 1.137 3.172 1.00 0.00 C ATOM 290 NZ LYS A 552 14.012 0.582 4.550 1.00 0.00 N ATOM 0 H LYS A 552 9.197 0.752 5.133 1.00 0.00 H new ATOM 0 HA LYS A 552 9.022 2.407 2.977 1.00 0.00 H new ATOM 0 HB2 LYS A 552 10.144 -0.344 3.443 1.00 0.00 H new ATOM 0 HB3 LYS A 552 10.127 0.269 1.801 1.00 0.00 H new ATOM 0 HG2 LYS A 552 11.290 2.374 2.754 1.00 0.00 H new ATOM 0 HG3 LYS A 552 11.553 1.430 4.207 1.00 0.00 H new ATOM 0 HD2 LYS A 552 12.519 -0.377 2.539 1.00 0.00 H new ATOM 0 HD3 LYS A 552 12.656 0.975 1.432 1.00 0.00 H new ATOM 0 HE2 LYS A 552 14.757 0.806 2.579 1.00 0.00 H new ATOM 0 HE3 LYS A 552 13.948 2.225 3.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 552 15.015 0.488 4.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 552 13.540 1.222 5.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 552 13.557 -0.352 4.585 1.00 0.00 H new ATOM 304 N MET A 553 7.171 -0.288 2.521 1.00 0.00 N ATOM 305 CA MET A 553 6.090 -0.843 1.715 1.00 0.00 C ATOM 306 C MET A 553 4.853 0.048 1.777 1.00 0.00 C ATOM 307 O MET A 553 4.364 0.520 0.750 1.00 0.00 O ATOM 308 CB MET A 553 5.740 -2.254 2.192 1.00 0.00 C ATOM 309 CG MET A 553 6.919 -3.214 2.166 1.00 0.00 C ATOM 310 SD MET A 553 7.079 -4.073 0.588 1.00 0.00 S ATOM 311 CE MET A 553 5.691 -5.201 0.675 1.00 0.00 C ATOM 0 H MET A 553 7.448 -0.868 3.313 1.00 0.00 H new ATOM 0 HA MET A 553 6.431 -0.891 0.681 1.00 0.00 H new ATOM 0 HB2 MET A 553 5.349 -2.199 3.208 1.00 0.00 H new ATOM 0 HB3 MET A 553 4.943 -2.653 1.565 1.00 0.00 H new ATOM 0 HG2 MET A 553 7.837 -2.662 2.370 1.00 0.00 H new ATOM 0 HG3 MET A 553 6.804 -3.947 2.964 1.00 0.00 H new ATOM 0 HE1 MET A 553 5.854 -6.032 -0.011 1.00 0.00 H new ATOM 0 HE2 MET A 553 5.596 -5.583 1.691 1.00 0.00 H new ATOM 0 HE3 MET A 553 4.777 -4.675 0.398 1.00 0.00 H new ATOM 321 N LEU A 554 4.353 0.274 2.986 1.00 0.00 N ATOM 322 CA LEU A 554 3.173 1.109 3.182 1.00 0.00 C ATOM 323 C LEU A 554 3.227 2.346 2.292 1.00 0.00 C ATOM 324 O LEU A 554 2.205 2.797 1.773 1.00 0.00 O ATOM 325 CB LEU A 554 3.057 1.527 4.649 1.00 0.00 C ATOM 326 CG LEU A 554 1.702 2.088 5.082 1.00 0.00 C ATOM 327 CD1 LEU A 554 0.611 1.043 4.907 1.00 0.00 C ATOM 328 CD2 LEU A 554 1.759 2.564 6.527 1.00 0.00 C ATOM 0 H LEU A 554 4.746 -0.109 3.846 1.00 0.00 H new ATOM 0 HA LEU A 554 2.295 0.524 2.907 1.00 0.00 H new ATOM 0 HB2 LEU A 554 3.285 0.662 5.272 1.00 0.00 H new ATOM 0 HB3 LEU A 554 3.821 2.277 4.854 1.00 0.00 H new ATOM 0 HG LEU A 554 1.465 2.942 4.447 1.00 0.00 H new ATOM 0 HD11 LEU A 554 -0.346 1.460 5.220 1.00 0.00 H new ATOM 0 HD12 LEU A 554 0.553 0.749 3.859 1.00 0.00 H new ATOM 0 HD13 LEU A 554 0.843 0.169 5.516 1.00 0.00 H new ATOM 0 HD21 LEU A 554 0.786 2.960 6.818 1.00 0.00 H new ATOM 0 HD22 LEU A 554 2.019 1.728 7.176 1.00 0.00 H new ATOM 0 HD23 LEU A 554 2.513 3.346 6.623 1.00 0.00 H new ATOM 340 N LYS A 555 4.426 2.891 2.117 1.00 0.00 N ATOM 341 CA LYS A 555 4.616 4.074 1.286 1.00 0.00 C ATOM 342 C LYS A 555 4.718 3.693 -0.188 1.00 0.00 C ATOM 343 O LYS A 555 4.007 4.240 -1.031 1.00 0.00 O ATOM 344 CB LYS A 555 5.875 4.829 1.717 1.00 0.00 C ATOM 345 CG LYS A 555 6.020 6.193 1.066 1.00 0.00 C ATOM 346 CD LYS A 555 7.480 6.576 0.891 1.00 0.00 C ATOM 347 CE LYS A 555 7.673 8.083 0.960 1.00 0.00 C ATOM 348 NZ LYS A 555 9.106 8.465 0.819 1.00 0.00 N ATOM 0 H LYS A 555 5.282 2.532 2.540 1.00 0.00 H new ATOM 0 HA LYS A 555 3.749 4.722 1.417 1.00 0.00 H new ATOM 0 HB2 LYS A 555 5.861 4.952 2.800 1.00 0.00 H new ATOM 0 HB3 LYS A 555 6.750 4.226 1.476 1.00 0.00 H new ATOM 0 HG2 LYS A 555 5.526 6.188 0.095 1.00 0.00 H new ATOM 0 HG3 LYS A 555 5.517 6.943 1.676 1.00 0.00 H new ATOM 0 HD2 LYS A 555 8.079 6.096 1.665 1.00 0.00 H new ATOM 0 HD3 LYS A 555 7.842 6.205 -0.068 1.00 0.00 H new ATOM 0 HE2 LYS A 555 7.091 8.560 0.172 1.00 0.00 H new ATOM 0 HE3 LYS A 555 7.289 8.455 1.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 555 9.196 9.500 0.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 555 9.658 8.030 1.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 555 9.465 8.132 -0.098 1.00 0.00 H new ATOM 362 N ASP A 556 5.607 2.753 -0.491 1.00 0.00 N ATOM 363 CA ASP A 556 5.800 2.298 -1.862 1.00 0.00 C ATOM 364 C ASP A 556 4.560 1.570 -2.373 1.00 0.00 C ATOM 365 O ASP A 556 3.913 2.015 -3.321 1.00 0.00 O ATOM 366 CB ASP A 556 7.019 1.378 -1.950 1.00 0.00 C ATOM 367 CG ASP A 556 7.643 1.374 -3.331 1.00 0.00 C ATOM 368 OD1 ASP A 556 6.959 1.783 -4.292 1.00 0.00 O ATOM 369 OD2 ASP A 556 8.816 0.961 -3.452 1.00 0.00 O ATOM 0 H ASP A 556 6.205 2.292 0.195 1.00 0.00 H new ATOM 0 HA ASP A 556 5.969 3.174 -2.489 1.00 0.00 H new ATOM 0 HB2 ASP A 556 7.763 1.695 -1.219 1.00 0.00 H new ATOM 0 HB3 ASP A 556 6.724 0.363 -1.685 1.00 0.00 H new ATOM 374 N LYS A 557 4.236 0.448 -1.740 1.00 0.00 N ATOM 375 CA LYS A 557 3.074 -0.342 -2.129 1.00 0.00 C ATOM 376 C LYS A 557 1.890 0.559 -2.465 1.00 0.00 C ATOM 377 O LYS A 557 1.172 0.321 -3.436 1.00 0.00 O ATOM 378 CB LYS A 557 2.690 -1.309 -1.006 1.00 0.00 C ATOM 379 CG LYS A 557 1.264 -1.822 -1.107 1.00 0.00 C ATOM 380 CD LYS A 557 1.073 -2.702 -2.331 1.00 0.00 C ATOM 381 CE LYS A 557 1.328 -4.167 -2.010 1.00 0.00 C ATOM 382 NZ LYS A 557 1.832 -4.915 -3.194 1.00 0.00 N ATOM 0 H LYS A 557 4.762 0.065 -0.955 1.00 0.00 H new ATOM 0 HA LYS A 557 3.337 -0.914 -3.019 1.00 0.00 H new ATOM 0 HB2 LYS A 557 3.374 -2.157 -1.018 1.00 0.00 H new ATOM 0 HB3 LYS A 557 2.820 -0.809 -0.046 1.00 0.00 H new ATOM 0 HG2 LYS A 557 1.015 -2.387 -0.209 1.00 0.00 H new ATOM 0 HG3 LYS A 557 0.575 -0.978 -1.153 1.00 0.00 H new ATOM 0 HD2 LYS A 557 0.058 -2.583 -2.711 1.00 0.00 H new ATOM 0 HD3 LYS A 557 1.750 -2.379 -3.122 1.00 0.00 H new ATOM 0 HE2 LYS A 557 2.053 -4.240 -1.199 1.00 0.00 H new ATOM 0 HE3 LYS A 557 0.405 -4.627 -1.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 557 1.993 -5.909 -2.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 557 1.130 -4.867 -3.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 557 2.726 -4.492 -3.517 1.00 0.00 H new ATOM 396 N PHE A 558 1.694 1.595 -1.656 1.00 0.00 N ATOM 397 CA PHE A 558 0.597 2.533 -1.868 1.00 0.00 C ATOM 398 C PHE A 558 0.958 3.559 -2.938 1.00 0.00 C ATOM 399 O PHE A 558 0.119 3.946 -3.750 1.00 0.00 O ATOM 400 CB PHE A 558 0.246 3.244 -0.560 1.00 0.00 C ATOM 401 CG PHE A 558 -0.613 2.422 0.358 1.00 0.00 C ATOM 402 CD1 PHE A 558 -0.217 1.153 0.747 1.00 0.00 C ATOM 403 CD2 PHE A 558 -1.816 2.919 0.833 1.00 0.00 C ATOM 404 CE1 PHE A 558 -1.006 0.394 1.590 1.00 0.00 C ATOM 405 CE2 PHE A 558 -2.609 2.166 1.677 1.00 0.00 C ATOM 406 CZ PHE A 558 -2.203 0.901 2.057 1.00 0.00 C ATOM 0 H PHE A 558 2.280 1.806 -0.848 1.00 0.00 H new ATOM 0 HA PHE A 558 -0.270 1.968 -2.210 1.00 0.00 H new ATOM 0 HB2 PHE A 558 1.167 3.509 -0.042 1.00 0.00 H new ATOM 0 HB3 PHE A 558 -0.270 4.176 -0.790 1.00 0.00 H new ATOM 0 HD1 PHE A 558 0.719 0.752 0.387 1.00 0.00 H new ATOM 0 HD2 PHE A 558 -2.138 3.907 0.540 1.00 0.00 H new ATOM 0 HE1 PHE A 558 -0.687 -0.595 1.884 1.00 0.00 H new ATOM 0 HE2 PHE A 558 -3.545 2.565 2.039 1.00 0.00 H new ATOM 0 HZ PHE A 558 -2.820 0.310 2.718 1.00 0.00 H new ATOM 416 N ASN A 559 2.213 3.997 -2.930 1.00 0.00 N ATOM 417 CA ASN A 559 2.686 4.979 -3.898 1.00 0.00 C ATOM 418 C ASN A 559 2.192 4.642 -5.301 1.00 0.00 C ATOM 419 O ASN A 559 2.117 5.512 -6.169 1.00 0.00 O ATOM 420 CB ASN A 559 4.215 5.043 -3.886 1.00 0.00 C ATOM 421 CG ASN A 559 4.743 6.064 -2.897 1.00 0.00 C ATOM 422 OD1 ASN A 559 4.042 7.005 -2.525 1.00 0.00 O ATOM 423 ND2 ASN A 559 5.986 5.882 -2.466 1.00 0.00 N ATOM 0 H ASN A 559 2.920 3.687 -2.264 1.00 0.00 H new ATOM 0 HA ASN A 559 2.286 5.952 -3.615 1.00 0.00 H new ATOM 0 HB2 ASN A 559 4.615 4.060 -3.638 1.00 0.00 H new ATOM 0 HB3 ASN A 559 4.573 5.290 -4.885 1.00 0.00 H new ATOM 0 HD21 ASN A 559 6.396 6.537 -1.800 1.00 0.00 H new ATOM 0 HD22 ASN A 559 6.531 5.088 -2.801 1.00 0.00 H new ATOM 430 N GLU A 560 1.854 3.374 -5.515 1.00 0.00 N ATOM 431 CA GLU A 560 1.366 2.923 -6.813 1.00 0.00 C ATOM 432 C GLU A 560 0.080 3.650 -7.194 1.00 0.00 C ATOM 433 O GLU A 560 -0.088 4.081 -8.335 1.00 0.00 O ATOM 434 CB GLU A 560 1.126 1.412 -6.795 1.00 0.00 C ATOM 435 CG GLU A 560 2.379 0.593 -7.053 1.00 0.00 C ATOM 436 CD GLU A 560 2.076 -0.759 -7.670 1.00 0.00 C ATOM 437 OE1 GLU A 560 1.006 -1.324 -7.364 1.00 0.00 O ATOM 438 OE2 GLU A 560 2.910 -1.251 -8.458 1.00 0.00 O ATOM 0 H GLU A 560 1.909 2.642 -4.807 1.00 0.00 H new ATOM 0 HA GLU A 560 2.127 3.154 -7.559 1.00 0.00 H new ATOM 0 HB2 GLU A 560 0.711 1.130 -5.827 1.00 0.00 H new ATOM 0 HB3 GLU A 560 0.378 1.163 -7.548 1.00 0.00 H new ATOM 0 HG2 GLU A 560 3.042 1.150 -7.715 1.00 0.00 H new ATOM 0 HG3 GLU A 560 2.913 0.448 -6.114 1.00 0.00 H new ATOM 445 N CYS A 561 -0.826 3.780 -6.230 1.00 0.00 N ATOM 446 CA CYS A 561 -2.099 4.453 -6.464 1.00 0.00 C ATOM 447 C CYS A 561 -1.881 5.919 -6.824 1.00 0.00 C ATOM 448 O CYS A 561 -2.421 6.413 -7.812 1.00 0.00 O ATOM 449 CB CYS A 561 -2.990 4.347 -5.226 1.00 0.00 C ATOM 450 SG CYS A 561 -4.550 5.252 -5.359 1.00 0.00 S ATOM 0 H CYS A 561 -0.703 3.429 -5.280 1.00 0.00 H new ATOM 0 HA CYS A 561 -2.593 3.961 -7.302 1.00 0.00 H new ATOM 0 HB2 CYS A 561 -3.207 3.296 -5.037 1.00 0.00 H new ATOM 0 HB3 CYS A 561 -2.439 4.719 -4.362 1.00 0.00 H new ATOM 0 HG CYS A 561 -4.713 5.994 -4.304 1.00 0.00 H new ATOM 456 N GLY A 562 -1.085 6.611 -6.013 1.00 0.00 N ATOM 457 CA GLY A 562 -0.811 8.014 -6.262 1.00 0.00 C ATOM 458 C GLY A 562 0.492 8.470 -5.636 1.00 0.00 C ATOM 459 O GLY A 562 1.561 7.954 -5.964 1.00 0.00 O ATOM 0 H GLY A 562 -0.626 6.224 -5.188 1.00 0.00 H new ATOM 0 HA2 GLY A 562 -0.775 8.189 -7.337 1.00 0.00 H new ATOM 0 HA3 GLY A 562 -1.630 8.616 -5.869 1.00 0.00 H new ATOM 463 N HIS A 563 0.405 9.442 -4.734 1.00 0.00 N ATOM 464 CA HIS A 563 1.587 9.969 -4.061 1.00 0.00 C ATOM 465 C HIS A 563 1.409 9.938 -2.546 1.00 0.00 C ATOM 466 O HIS A 563 0.522 10.595 -2.001 1.00 0.00 O ATOM 467 CB HIS A 563 1.869 11.399 -4.524 1.00 0.00 C ATOM 468 CG HIS A 563 3.053 12.023 -3.854 1.00 0.00 C ATOM 469 ND1 HIS A 563 4.330 11.961 -4.370 1.00 0.00 N ATOM 470 CD2 HIS A 563 3.149 12.728 -2.702 1.00 0.00 C ATOM 471 CE1 HIS A 563 5.160 12.598 -3.564 1.00 0.00 C ATOM 472 NE2 HIS A 563 4.468 13.073 -2.544 1.00 0.00 N ATOM 0 H HIS A 563 -0.472 9.881 -4.452 1.00 0.00 H new ATOM 0 HA HIS A 563 2.435 9.337 -4.322 1.00 0.00 H new ATOM 0 HB2 HIS A 563 2.031 11.398 -5.602 1.00 0.00 H new ATOM 0 HB3 HIS A 563 0.989 12.014 -4.334 1.00 0.00 H new ATOM 0 HD1 HIS A 563 4.593 11.496 -5.239 1.00 0.00 H new ATOM 0 HD2 HIS A 563 2.338 12.973 -2.032 1.00 0.00 H new ATOM 0 HE1 HIS A 563 6.224 12.711 -3.713 1.00 0.00 H new ATOM 481 N VAL A 564 2.259 9.170 -1.871 1.00 0.00 N ATOM 482 CA VAL A 564 2.196 9.054 -0.419 1.00 0.00 C ATOM 483 C VAL A 564 3.024 10.142 0.256 1.00 0.00 C ATOM 484 O VAL A 564 4.223 10.271 0.004 1.00 0.00 O ATOM 485 CB VAL A 564 2.695 7.676 0.055 1.00 0.00 C ATOM 486 CG1 VAL A 564 2.857 7.658 1.568 1.00 0.00 C ATOM 487 CG2 VAL A 564 1.743 6.580 -0.399 1.00 0.00 C ATOM 0 H VAL A 564 2.999 8.619 -2.307 1.00 0.00 H new ATOM 0 HA VAL A 564 1.150 9.171 -0.137 1.00 0.00 H new ATOM 0 HB VAL A 564 3.670 7.488 -0.394 1.00 0.00 H new ATOM 0 HG11 VAL A 564 3.210 6.677 1.884 1.00 0.00 H new ATOM 0 HG12 VAL A 564 3.580 8.417 1.866 1.00 0.00 H new ATOM 0 HG13 VAL A 564 1.897 7.867 2.039 1.00 0.00 H new ATOM 0 HG21 VAL A 564 2.111 5.613 -0.055 1.00 0.00 H new ATOM 0 HG22 VAL A 564 0.753 6.761 0.020 1.00 0.00 H new ATOM 0 HG23 VAL A 564 1.682 6.579 -1.487 1.00 0.00 H new ATOM 497 N LEU A 565 2.377 10.922 1.114 1.00 0.00 N ATOM 498 CA LEU A 565 3.053 12.000 1.828 1.00 0.00 C ATOM 499 C LEU A 565 3.563 11.520 3.183 1.00 0.00 C ATOM 500 O LEU A 565 4.598 11.980 3.666 1.00 0.00 O ATOM 501 CB LEU A 565 2.106 13.186 2.017 1.00 0.00 C ATOM 502 CG LEU A 565 1.681 13.915 0.742 1.00 0.00 C ATOM 503 CD1 LEU A 565 0.733 15.058 1.072 1.00 0.00 C ATOM 504 CD2 LEU A 565 2.900 14.430 -0.010 1.00 0.00 C ATOM 0 H LEU A 565 1.385 10.829 1.333 1.00 0.00 H new ATOM 0 HA LEU A 565 3.908 12.318 1.231 1.00 0.00 H new ATOM 0 HB2 LEU A 565 1.209 12.832 2.525 1.00 0.00 H new ATOM 0 HB3 LEU A 565 2.585 13.906 2.681 1.00 0.00 H new ATOM 0 HG LEU A 565 1.156 13.208 0.100 1.00 0.00 H new ATOM 0 HD11 LEU A 565 0.441 15.566 0.153 1.00 0.00 H new ATOM 0 HD12 LEU A 565 -0.155 14.663 1.566 1.00 0.00 H new ATOM 0 HD13 LEU A 565 1.232 15.765 1.734 1.00 0.00 H new ATOM 0 HD21 LEU A 565 2.578 14.946 -0.915 1.00 0.00 H new ATOM 0 HD22 LEU A 565 3.454 15.122 0.625 1.00 0.00 H new ATOM 0 HD23 LEU A 565 3.542 13.592 -0.280 1.00 0.00 H new ATOM 516 N TYR A 566 2.831 10.593 3.790 1.00 0.00 N ATOM 517 CA TYR A 566 3.209 10.051 5.090 1.00 0.00 C ATOM 518 C TYR A 566 2.869 8.566 5.181 1.00 0.00 C ATOM 519 O TYR A 566 1.871 8.111 4.622 1.00 0.00 O ATOM 520 CB TYR A 566 2.503 10.817 6.210 1.00 0.00 C ATOM 521 CG TYR A 566 2.753 10.243 7.586 1.00 0.00 C ATOM 522 CD1 TYR A 566 4.027 10.242 8.139 1.00 0.00 C ATOM 523 CD2 TYR A 566 1.713 9.703 8.334 1.00 0.00 C ATOM 524 CE1 TYR A 566 4.260 9.719 9.396 1.00 0.00 C ATOM 525 CE2 TYR A 566 1.937 9.178 9.593 1.00 0.00 C ATOM 526 CZ TYR A 566 3.212 9.188 10.119 1.00 0.00 C ATOM 527 OH TYR A 566 3.439 8.667 11.372 1.00 0.00 O ATOM 0 H TYR A 566 1.973 10.201 3.403 1.00 0.00 H new ATOM 0 HA TYR A 566 4.287 10.166 5.204 1.00 0.00 H new ATOM 0 HB2 TYR A 566 2.834 11.856 6.193 1.00 0.00 H new ATOM 0 HB3 TYR A 566 1.430 10.821 6.016 1.00 0.00 H new ATOM 0 HD1 TYR A 566 4.850 10.657 7.576 1.00 0.00 H new ATOM 0 HD2 TYR A 566 0.714 9.694 7.925 1.00 0.00 H new ATOM 0 HE1 TYR A 566 5.257 9.726 9.811 1.00 0.00 H new ATOM 0 HE2 TYR A 566 1.118 8.762 10.162 1.00 0.00 H new ATOM 0 HH TYR A 566 2.596 8.335 11.746 1.00 0.00 H new ATOM 537 N ALA A 567 3.706 7.817 5.890 1.00 0.00 N ATOM 538 CA ALA A 567 3.494 6.384 6.057 1.00 0.00 C ATOM 539 C ALA A 567 4.235 5.859 7.282 1.00 0.00 C ATOM 540 O ALA A 567 5.466 5.829 7.309 1.00 0.00 O ATOM 541 CB ALA A 567 3.937 5.636 4.809 1.00 0.00 C ATOM 0 H ALA A 567 4.537 8.178 6.358 1.00 0.00 H new ATOM 0 HA ALA A 567 2.428 6.215 6.209 1.00 0.00 H new ATOM 0 HB1 ALA A 567 3.773 4.567 4.948 1.00 0.00 H new ATOM 0 HB2 ALA A 567 3.360 5.983 3.952 1.00 0.00 H new ATOM 0 HB3 ALA A 567 4.996 5.820 4.631 1.00 0.00 H new ATOM 547 N ASP A 568 3.479 5.447 8.293 1.00 0.00 N ATOM 548 CA ASP A 568 4.065 4.922 9.522 1.00 0.00 C ATOM 549 C ASP A 568 3.278 3.717 10.027 1.00 0.00 C ATOM 550 O ASP A 568 2.050 3.685 9.941 1.00 0.00 O ATOM 551 CB ASP A 568 4.105 6.009 10.597 1.00 0.00 C ATOM 552 CG ASP A 568 4.835 5.559 11.847 1.00 0.00 C ATOM 553 OD1 ASP A 568 5.961 5.035 11.720 1.00 0.00 O ATOM 554 OD2 ASP A 568 4.281 5.730 12.953 1.00 0.00 O ATOM 0 H ASP A 568 2.459 5.466 8.287 1.00 0.00 H new ATOM 0 HA ASP A 568 5.083 4.601 9.303 1.00 0.00 H new ATOM 0 HB2 ASP A 568 4.593 6.897 10.194 1.00 0.00 H new ATOM 0 HB3 ASP A 568 3.086 6.296 10.858 1.00 0.00 H new ATOM 559 N ILE A 569 3.993 2.728 10.553 1.00 0.00 N ATOM 560 CA ILE A 569 3.361 1.522 11.072 1.00 0.00 C ATOM 561 C ILE A 569 3.083 1.646 12.566 1.00 0.00 C ATOM 562 O ILE A 569 3.995 1.557 13.389 1.00 0.00 O ATOM 563 CB ILE A 569 4.236 0.278 10.827 1.00 0.00 C ATOM 564 CG1 ILE A 569 4.422 0.047 9.325 1.00 0.00 C ATOM 565 CG2 ILE A 569 3.614 -0.945 11.483 1.00 0.00 C ATOM 566 CD1 ILE A 569 3.197 -0.523 8.645 1.00 0.00 C ATOM 0 H ILE A 569 5.010 2.739 10.631 1.00 0.00 H new ATOM 0 HA ILE A 569 2.418 1.405 10.537 1.00 0.00 H new ATOM 0 HB ILE A 569 5.216 0.447 11.274 1.00 0.00 H new ATOM 0 HG12 ILE A 569 4.684 0.992 8.850 1.00 0.00 H new ATOM 0 HG13 ILE A 569 5.262 -0.631 9.171 1.00 0.00 H new ATOM 0 HG21 ILE A 569 4.244 -1.816 11.301 1.00 0.00 H new ATOM 0 HG22 ILE A 569 3.528 -0.778 12.557 1.00 0.00 H new ATOM 0 HG23 ILE A 569 2.624 -1.119 11.062 1.00 0.00 H new ATOM 0 HD11 ILE A 569 3.401 -0.660 7.583 1.00 0.00 H new ATOM 0 HD12 ILE A 569 2.946 -1.484 9.094 1.00 0.00 H new ATOM 0 HD13 ILE A 569 2.360 0.164 8.768 1.00 0.00 H new ATOM 578 N LYS A 570 1.816 1.851 12.912 1.00 0.00 N ATOM 579 CA LYS A 570 1.415 1.985 14.307 1.00 0.00 C ATOM 580 C LYS A 570 1.667 0.690 15.072 1.00 0.00 C ATOM 581 O LYS A 570 0.907 -0.270 14.953 1.00 0.00 O ATOM 582 CB LYS A 570 -0.065 2.365 14.399 1.00 0.00 C ATOM 583 CG LYS A 570 -0.384 3.721 13.794 1.00 0.00 C ATOM 584 CD LYS A 570 0.105 4.855 14.679 1.00 0.00 C ATOM 585 CE LYS A 570 0.297 6.138 13.885 1.00 0.00 C ATOM 586 NZ LYS A 570 1.158 7.115 14.608 1.00 0.00 N ATOM 0 H LYS A 570 1.049 1.928 12.244 1.00 0.00 H new ATOM 0 HA LYS A 570 2.015 2.775 14.758 1.00 0.00 H new ATOM 0 HB2 LYS A 570 -0.659 1.603 13.895 1.00 0.00 H new ATOM 0 HB3 LYS A 570 -0.367 2.364 15.446 1.00 0.00 H new ATOM 0 HG2 LYS A 570 0.079 3.800 12.811 1.00 0.00 H new ATOM 0 HG3 LYS A 570 -1.460 3.811 13.647 1.00 0.00 H new ATOM 0 HD2 LYS A 570 -0.612 5.027 15.482 1.00 0.00 H new ATOM 0 HD3 LYS A 570 1.047 4.572 15.148 1.00 0.00 H new ATOM 0 HE2 LYS A 570 0.745 5.904 12.920 1.00 0.00 H new ATOM 0 HE3 LYS A 570 -0.675 6.589 13.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 570 1.264 7.976 14.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 570 0.718 7.358 15.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 570 2.094 6.694 14.777 1.00 0.00 H new ATOM 686 N LYS A 577 0.986 -4.007 15.397 1.00 0.00 N ATOM 687 CA LYS A 577 -0.408 -4.436 15.404 1.00 0.00 C ATOM 688 C LYS A 577 -0.990 -4.415 13.995 1.00 0.00 C ATOM 689 O LYS A 577 -2.186 -4.192 13.810 1.00 0.00 O ATOM 690 CB LYS A 577 -1.235 -3.534 16.323 1.00 0.00 C ATOM 691 CG LYS A 577 -0.741 -3.512 17.759 1.00 0.00 C ATOM 692 CD LYS A 577 -0.977 -4.844 18.451 1.00 0.00 C ATOM 693 CE LYS A 577 -2.441 -5.029 18.820 1.00 0.00 C ATOM 694 NZ LYS A 577 -3.253 -5.481 17.656 1.00 0.00 N ATOM 0 HA LYS A 577 -0.446 -5.459 15.778 1.00 0.00 H new ATOM 0 HB2 LYS A 577 -1.223 -2.518 15.928 1.00 0.00 H new ATOM 0 HB3 LYS A 577 -2.272 -3.869 16.310 1.00 0.00 H new ATOM 0 HG2 LYS A 577 0.323 -3.276 17.775 1.00 0.00 H new ATOM 0 HG3 LYS A 577 -1.251 -2.720 18.308 1.00 0.00 H new ATOM 0 HD2 LYS A 577 -0.660 -5.656 17.797 1.00 0.00 H new ATOM 0 HD3 LYS A 577 -0.364 -4.902 19.350 1.00 0.00 H new ATOM 0 HE2 LYS A 577 -2.523 -5.759 19.626 1.00 0.00 H new ATOM 0 HE3 LYS A 577 -2.842 -4.089 19.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 577 -3.847 -4.696 17.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 577 -2.620 -5.788 16.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 577 -3.859 -6.276 17.943 1.00 0.00 H new ATOM 708 N GLY A 578 -0.137 -4.649 13.002 1.00 0.00 N ATOM 709 CA GLY A 578 -0.586 -4.654 11.623 1.00 0.00 C ATOM 710 C GLY A 578 -1.568 -3.537 11.329 1.00 0.00 C ATOM 711 O GLY A 578 -2.673 -3.784 10.844 1.00 0.00 O ATOM 0 H GLY A 578 0.858 -4.835 13.129 1.00 0.00 H new ATOM 0 HA2 GLY A 578 0.276 -4.559 10.963 1.00 0.00 H new ATOM 0 HA3 GLY A 578 -1.054 -5.613 11.400 1.00 0.00 H new ATOM 715 N CYS A 579 -1.167 -2.306 11.624 1.00 0.00 N ATOM 716 CA CYS A 579 -2.021 -1.146 11.391 1.00 0.00 C ATOM 717 C CYS A 579 -1.184 0.107 11.155 1.00 0.00 C ATOM 718 O CYS A 579 -0.124 0.280 11.755 1.00 0.00 O ATOM 719 CB CYS A 579 -2.959 -0.931 12.580 1.00 0.00 C ATOM 720 SG CYS A 579 -2.118 -0.834 14.177 1.00 0.00 S ATOM 0 H CYS A 579 -0.256 -2.085 12.025 1.00 0.00 H new ATOM 0 HA CYS A 579 -2.616 -1.337 10.498 1.00 0.00 H new ATOM 0 HB2 CYS A 579 -3.523 -0.012 12.422 1.00 0.00 H new ATOM 0 HB3 CYS A 579 -3.681 -1.747 12.611 1.00 0.00 H new ATOM 0 HG CYS A 579 -0.853 -0.600 13.988 1.00 0.00 H new ATOM 726 N GLY A 580 -1.668 0.979 10.276 1.00 0.00 N ATOM 727 CA GLY A 580 -0.952 2.204 9.974 1.00 0.00 C ATOM 728 C GLY A 580 -1.821 3.225 9.268 1.00 0.00 C ATOM 729 O GLY A 580 -3.044 3.089 9.228 1.00 0.00 O ATOM 0 H GLY A 580 -2.544 0.859 9.767 1.00 0.00 H new ATOM 0 HA2 GLY A 580 -0.569 2.635 10.899 1.00 0.00 H new ATOM 0 HA3 GLY A 580 -0.089 1.972 9.350 1.00 0.00 H new ATOM 733 N VAL A 581 -1.189 4.253 8.709 1.00 0.00 N ATOM 734 CA VAL A 581 -1.912 5.302 8.001 1.00 0.00 C ATOM 735 C VAL A 581 -1.137 5.774 6.777 1.00 0.00 C ATOM 736 O VAL A 581 0.089 5.675 6.728 1.00 0.00 O ATOM 737 CB VAL A 581 -2.189 6.509 8.917 1.00 0.00 C ATOM 738 CG1 VAL A 581 -3.352 6.215 9.852 1.00 0.00 C ATOM 739 CG2 VAL A 581 -0.940 6.877 9.705 1.00 0.00 C ATOM 0 H VAL A 581 -0.177 4.381 8.733 1.00 0.00 H new ATOM 0 HA VAL A 581 -2.861 4.872 7.682 1.00 0.00 H new ATOM 0 HB VAL A 581 -2.462 7.361 8.294 1.00 0.00 H new ATOM 0 HG11 VAL A 581 -3.532 7.079 10.491 1.00 0.00 H new ATOM 0 HG12 VAL A 581 -4.246 6.004 9.265 1.00 0.00 H new ATOM 0 HG13 VAL A 581 -3.112 5.350 10.471 1.00 0.00 H new ATOM 0 HG21 VAL A 581 -1.153 7.732 10.347 1.00 0.00 H new ATOM 0 HG22 VAL A 581 -0.634 6.030 10.319 1.00 0.00 H new ATOM 0 HG23 VAL A 581 -0.137 7.134 9.014 1.00 0.00 H new ATOM 749 N VAL A 582 -1.860 6.289 5.787 1.00 0.00 N ATOM 750 CA VAL A 582 -1.240 6.778 4.562 1.00 0.00 C ATOM 751 C VAL A 582 -1.912 8.060 4.080 1.00 0.00 C ATOM 752 O VAL A 582 -3.126 8.100 3.879 1.00 0.00 O ATOM 753 CB VAL A 582 -1.306 5.725 3.440 1.00 0.00 C ATOM 754 CG1 VAL A 582 -0.719 6.280 2.151 1.00 0.00 C ATOM 755 CG2 VAL A 582 -0.583 4.454 3.861 1.00 0.00 C ATOM 0 H VAL A 582 -2.876 6.378 5.810 1.00 0.00 H new ATOM 0 HA VAL A 582 -0.196 6.984 4.796 1.00 0.00 H new ATOM 0 HB VAL A 582 -2.352 5.478 3.257 1.00 0.00 H new ATOM 0 HG11 VAL A 582 -0.774 5.522 1.370 1.00 0.00 H new ATOM 0 HG12 VAL A 582 -1.284 7.160 1.843 1.00 0.00 H new ATOM 0 HG13 VAL A 582 0.323 6.557 2.315 1.00 0.00 H new ATOM 0 HG21 VAL A 582 -0.639 3.720 3.057 1.00 0.00 H new ATOM 0 HG22 VAL A 582 0.462 4.682 4.072 1.00 0.00 H new ATOM 0 HG23 VAL A 582 -1.053 4.048 4.756 1.00 0.00 H new ATOM 765 N LYS A 583 -1.114 9.106 3.897 1.00 0.00 N ATOM 766 CA LYS A 583 -1.629 10.390 3.437 1.00 0.00 C ATOM 767 C LYS A 583 -1.305 10.610 1.963 1.00 0.00 C ATOM 768 O LYS A 583 -0.263 10.173 1.474 1.00 0.00 O ATOM 769 CB LYS A 583 -1.041 11.528 4.275 1.00 0.00 C ATOM 770 CG LYS A 583 -1.892 11.901 5.476 1.00 0.00 C ATOM 771 CD LYS A 583 -1.535 11.065 6.694 1.00 0.00 C ATOM 772 CE LYS A 583 -1.796 11.823 7.987 1.00 0.00 C ATOM 773 NZ LYS A 583 -3.219 11.719 8.413 1.00 0.00 N ATOM 0 H LYS A 583 -0.107 9.090 4.060 1.00 0.00 H new ATOM 0 HA LYS A 583 -2.713 10.382 3.555 1.00 0.00 H new ATOM 0 HB2 LYS A 583 -0.048 11.239 4.620 1.00 0.00 H new ATOM 0 HB3 LYS A 583 -0.915 12.407 3.642 1.00 0.00 H new ATOM 0 HG2 LYS A 583 -1.755 12.958 5.706 1.00 0.00 H new ATOM 0 HG3 LYS A 583 -2.946 11.761 5.234 1.00 0.00 H new ATOM 0 HD2 LYS A 583 -2.117 10.144 6.687 1.00 0.00 H new ATOM 0 HD3 LYS A 583 -0.484 10.779 6.645 1.00 0.00 H new ATOM 0 HE2 LYS A 583 -1.152 11.431 8.774 1.00 0.00 H new ATOM 0 HE3 LYS A 583 -1.533 12.872 7.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 583 -3.356 12.249 9.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 583 -3.833 12.116 7.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 583 -3.463 10.720 8.566 1.00 0.00 H new ATOM 787 N PHE A 584 -2.202 11.292 1.260 1.00 0.00 N ATOM 788 CA PHE A 584 -2.011 11.571 -0.159 1.00 0.00 C ATOM 789 C PHE A 584 -2.078 13.071 -0.433 1.00 0.00 C ATOM 790 O PHE A 584 -2.467 13.853 0.434 1.00 0.00 O ATOM 791 CB PHE A 584 -3.068 10.841 -0.991 1.00 0.00 C ATOM 792 CG PHE A 584 -2.936 9.346 -0.950 1.00 0.00 C ATOM 793 CD1 PHE A 584 -3.580 8.607 0.030 1.00 0.00 C ATOM 794 CD2 PHE A 584 -2.169 8.679 -1.890 1.00 0.00 C ATOM 795 CE1 PHE A 584 -3.460 7.231 0.070 1.00 0.00 C ATOM 796 CE2 PHE A 584 -2.045 7.303 -1.855 1.00 0.00 C ATOM 797 CZ PHE A 584 -2.692 6.578 -0.874 1.00 0.00 C ATOM 0 H PHE A 584 -3.069 11.662 1.649 1.00 0.00 H new ATOM 0 HA PHE A 584 -1.022 11.212 -0.444 1.00 0.00 H new ATOM 0 HB2 PHE A 584 -4.058 11.120 -0.631 1.00 0.00 H new ATOM 0 HB3 PHE A 584 -2.999 11.176 -2.026 1.00 0.00 H new ATOM 0 HD1 PHE A 584 -4.182 9.112 0.771 1.00 0.00 H new ATOM 0 HD2 PHE A 584 -1.661 9.241 -2.660 1.00 0.00 H new ATOM 0 HE1 PHE A 584 -3.966 6.667 0.839 1.00 0.00 H new ATOM 0 HE2 PHE A 584 -1.443 6.795 -2.594 1.00 0.00 H new ATOM 0 HZ PHE A 584 -2.598 5.503 -0.845 1.00 0.00 H new ATOM 807 N GLU A 585 -1.696 13.463 -1.644 1.00 0.00 N ATOM 808 CA GLU A 585 -1.712 14.868 -2.031 1.00 0.00 C ATOM 809 C GLU A 585 -3.143 15.381 -2.162 1.00 0.00 C ATOM 810 O GLU A 585 -3.470 16.468 -1.685 1.00 0.00 O ATOM 811 CB GLU A 585 -0.966 15.064 -3.353 1.00 0.00 C ATOM 812 CG GLU A 585 0.521 15.323 -3.180 1.00 0.00 C ATOM 813 CD GLU A 585 1.100 16.170 -4.297 1.00 0.00 C ATOM 814 OE1 GLU A 585 0.574 16.101 -5.428 1.00 0.00 O ATOM 815 OE2 GLU A 585 2.079 16.901 -4.040 1.00 0.00 O ATOM 0 H GLU A 585 -1.372 12.828 -2.373 1.00 0.00 H new ATOM 0 HA GLU A 585 -1.210 15.439 -1.250 1.00 0.00 H new ATOM 0 HB2 GLU A 585 -1.102 14.177 -3.972 1.00 0.00 H new ATOM 0 HB3 GLU A 585 -1.412 15.900 -3.891 1.00 0.00 H new ATOM 0 HG2 GLU A 585 0.690 15.822 -2.226 1.00 0.00 H new ATOM 0 HG3 GLU A 585 1.050 14.371 -3.140 1.00 0.00 H new ATOM 822 N SER A 586 -3.992 14.591 -2.811 1.00 0.00 N ATOM 823 CA SER A 586 -5.387 14.966 -3.009 1.00 0.00 C ATOM 824 C SER A 586 -6.312 14.066 -2.195 1.00 0.00 C ATOM 825 O SER A 586 -5.979 12.927 -1.865 1.00 0.00 O ATOM 826 CB SER A 586 -5.753 14.886 -4.492 1.00 0.00 C ATOM 827 OG SER A 586 -5.505 16.118 -5.146 1.00 0.00 O ATOM 0 H SER A 586 -3.738 13.687 -3.209 1.00 0.00 H new ATOM 0 HA SER A 586 -5.514 15.993 -2.666 1.00 0.00 H new ATOM 0 HB2 SER A 586 -5.176 14.094 -4.970 1.00 0.00 H new ATOM 0 HB3 SER A 586 -6.805 14.621 -4.596 1.00 0.00 H new ATOM 0 HG SER A 586 -5.745 16.040 -6.093 1.00 0.00 H new ATOM 833 N PRO A 587 -7.502 14.587 -1.863 1.00 0.00 N ATOM 834 CA PRO A 587 -8.501 13.849 -1.085 1.00 0.00 C ATOM 835 C PRO A 587 -9.115 12.697 -1.874 1.00 0.00 C ATOM 836 O PRO A 587 -9.538 11.695 -1.299 1.00 0.00 O ATOM 837 CB PRO A 587 -9.560 14.908 -0.772 1.00 0.00 C ATOM 838 CG PRO A 587 -9.424 15.914 -1.862 1.00 0.00 C ATOM 839 CD PRO A 587 -7.965 15.938 -2.223 1.00 0.00 C ATOM 0 HA PRO A 587 -8.067 13.386 -0.199 1.00 0.00 H new ATOM 0 HB2 PRO A 587 -10.560 14.475 -0.756 1.00 0.00 H new ATOM 0 HB3 PRO A 587 -9.392 15.359 0.206 1.00 0.00 H new ATOM 0 HG2 PRO A 587 -10.035 15.642 -2.723 1.00 0.00 H new ATOM 0 HG3 PRO A 587 -9.760 16.896 -1.531 1.00 0.00 H new ATOM 0 HD2 PRO A 587 -7.817 16.144 -3.283 1.00 0.00 H new ATOM 0 HD3 PRO A 587 -7.427 16.708 -1.670 1.00 0.00 H new ATOM 847 N GLU A 588 -9.160 12.848 -3.194 1.00 0.00 N ATOM 848 CA GLU A 588 -9.723 11.820 -4.061 1.00 0.00 C ATOM 849 C GLU A 588 -8.810 10.598 -4.121 1.00 0.00 C ATOM 850 O GLU A 588 -9.278 9.462 -4.192 1.00 0.00 O ATOM 851 CB GLU A 588 -9.945 12.374 -5.470 1.00 0.00 C ATOM 852 CG GLU A 588 -8.660 12.772 -6.177 1.00 0.00 C ATOM 853 CD GLU A 588 -8.902 13.282 -7.584 1.00 0.00 C ATOM 854 OE1 GLU A 588 -9.569 12.571 -8.365 1.00 0.00 O ATOM 855 OE2 GLU A 588 -8.424 14.390 -7.904 1.00 0.00 O ATOM 0 H GLU A 588 -8.814 13.672 -3.686 1.00 0.00 H new ATOM 0 HA GLU A 588 -10.682 11.515 -3.643 1.00 0.00 H new ATOM 0 HB2 GLU A 588 -10.462 11.624 -6.069 1.00 0.00 H new ATOM 0 HB3 GLU A 588 -10.601 13.242 -5.411 1.00 0.00 H new ATOM 0 HG2 GLU A 588 -8.155 13.544 -5.597 1.00 0.00 H new ATOM 0 HG3 GLU A 588 -7.990 11.913 -6.216 1.00 0.00 H new ATOM 862 N VAL A 589 -7.503 10.842 -4.092 1.00 0.00 N ATOM 863 CA VAL A 589 -6.524 9.763 -4.143 1.00 0.00 C ATOM 864 C VAL A 589 -6.510 8.971 -2.840 1.00 0.00 C ATOM 865 O VAL A 589 -6.145 7.796 -2.820 1.00 0.00 O ATOM 866 CB VAL A 589 -5.108 10.304 -4.417 1.00 0.00 C ATOM 867 CG1 VAL A 589 -4.126 9.158 -4.608 1.00 0.00 C ATOM 868 CG2 VAL A 589 -5.113 11.220 -5.631 1.00 0.00 C ATOM 0 H VAL A 589 -7.099 11.777 -4.034 1.00 0.00 H new ATOM 0 HA VAL A 589 -6.819 9.106 -4.961 1.00 0.00 H new ATOM 0 HB VAL A 589 -4.787 10.886 -3.553 1.00 0.00 H new ATOM 0 HG11 VAL A 589 -3.131 9.560 -4.801 1.00 0.00 H new ATOM 0 HG12 VAL A 589 -4.102 8.545 -3.707 1.00 0.00 H new ATOM 0 HG13 VAL A 589 -4.440 8.547 -5.454 1.00 0.00 H new ATOM 0 HG21 VAL A 589 -4.104 11.593 -5.810 1.00 0.00 H new ATOM 0 HG22 VAL A 589 -5.455 10.665 -6.504 1.00 0.00 H new ATOM 0 HG23 VAL A 589 -5.784 12.060 -5.450 1.00 0.00 H new ATOM 878 N ALA A 590 -6.911 9.623 -1.754 1.00 0.00 N ATOM 879 CA ALA A 590 -6.948 8.979 -0.447 1.00 0.00 C ATOM 880 C ALA A 590 -7.984 7.861 -0.415 1.00 0.00 C ATOM 881 O ALA A 590 -7.667 6.719 -0.085 1.00 0.00 O ATOM 882 CB ALA A 590 -7.241 10.005 0.639 1.00 0.00 C ATOM 0 H ALA A 590 -7.215 10.597 -1.753 1.00 0.00 H new ATOM 0 HA ALA A 590 -5.969 8.537 -0.259 1.00 0.00 H new ATOM 0 HB1 ALA A 590 -7.266 9.510 1.610 1.00 0.00 H new ATOM 0 HB2 ALA A 590 -6.461 10.767 0.640 1.00 0.00 H new ATOM 0 HB3 ALA A 590 -8.206 10.474 0.446 1.00 0.00 H new ATOM 888 N GLU A 591 -9.223 8.199 -0.758 1.00 0.00 N ATOM 889 CA GLU A 591 -10.306 7.222 -0.767 1.00 0.00 C ATOM 890 C GLU A 591 -10.120 6.214 -1.897 1.00 0.00 C ATOM 891 O GLU A 591 -10.614 5.088 -1.826 1.00 0.00 O ATOM 892 CB GLU A 591 -11.657 7.925 -0.913 1.00 0.00 C ATOM 893 CG GLU A 591 -12.087 8.124 -2.356 1.00 0.00 C ATOM 894 CD GLU A 591 -13.003 9.319 -2.533 1.00 0.00 C ATOM 895 OE1 GLU A 591 -13.942 9.472 -1.724 1.00 0.00 O ATOM 896 OE2 GLU A 591 -12.781 10.101 -3.481 1.00 0.00 O ATOM 0 H GLU A 591 -9.502 9.141 -1.033 1.00 0.00 H new ATOM 0 HA GLU A 591 -10.285 6.686 0.182 1.00 0.00 H new ATOM 0 HB2 GLU A 591 -12.418 7.343 -0.393 1.00 0.00 H new ATOM 0 HB3 GLU A 591 -11.607 8.896 -0.421 1.00 0.00 H new ATOM 0 HG2 GLU A 591 -11.203 8.253 -2.980 1.00 0.00 H new ATOM 0 HG3 GLU A 591 -12.596 7.226 -2.707 1.00 0.00 H new ATOM 903 N ARG A 592 -9.406 6.627 -2.939 1.00 0.00 N ATOM 904 CA ARG A 592 -9.156 5.761 -4.085 1.00 0.00 C ATOM 905 C ARG A 592 -8.317 4.553 -3.682 1.00 0.00 C ATOM 906 O ARG A 592 -8.608 3.424 -4.075 1.00 0.00 O ATOM 907 CB ARG A 592 -8.448 6.541 -5.195 1.00 0.00 C ATOM 908 CG ARG A 592 -8.266 5.745 -6.477 1.00 0.00 C ATOM 909 CD ARG A 592 -7.353 6.467 -7.456 1.00 0.00 C ATOM 910 NE ARG A 592 -7.673 6.144 -8.843 1.00 0.00 N ATOM 911 CZ ARG A 592 -6.846 6.365 -9.859 1.00 0.00 C ATOM 912 NH1 ARG A 592 -5.655 6.906 -9.643 1.00 0.00 N ATOM 913 NH2 ARG A 592 -7.209 6.044 -11.094 1.00 0.00 N ATOM 0 H ARG A 592 -8.991 7.556 -3.013 1.00 0.00 H new ATOM 0 HA ARG A 592 -10.117 5.405 -4.456 1.00 0.00 H new ATOM 0 HB2 ARG A 592 -9.019 7.443 -5.415 1.00 0.00 H new ATOM 0 HB3 ARG A 592 -7.471 6.863 -4.835 1.00 0.00 H new ATOM 0 HG2 ARG A 592 -7.848 4.766 -6.242 1.00 0.00 H new ATOM 0 HG3 ARG A 592 -9.237 5.574 -6.942 1.00 0.00 H new ATOM 0 HD2 ARG A 592 -7.439 7.543 -7.305 1.00 0.00 H new ATOM 0 HD3 ARG A 592 -6.317 6.198 -7.251 1.00 0.00 H new ATOM 0 HE ARG A 592 -8.581 5.726 -9.043 1.00 0.00 H new ATOM 0 HH11 ARG A 592 -5.372 7.154 -8.695 1.00 0.00 H new ATOM 0 HH12 ARG A 592 -5.022 7.075 -10.425 1.00 0.00 H new ATOM 0 HH21 ARG A 592 -8.124 5.627 -11.264 1.00 0.00 H new ATOM 0 HH22 ARG A 592 -6.573 6.214 -11.873 1.00 0.00 H new ATOM 927 N ALA A 593 -7.274 4.799 -2.896 1.00 0.00 N ATOM 928 CA ALA A 593 -6.393 3.732 -2.438 1.00 0.00 C ATOM 929 C ALA A 593 -7.140 2.750 -1.543 1.00 0.00 C ATOM 930 O ALA A 593 -6.761 1.583 -1.433 1.00 0.00 O ATOM 931 CB ALA A 593 -5.196 4.315 -1.702 1.00 0.00 C ATOM 0 H ALA A 593 -7.018 5.729 -2.563 1.00 0.00 H new ATOM 0 HA ALA A 593 -6.037 3.188 -3.313 1.00 0.00 H new ATOM 0 HB1 ALA A 593 -4.547 3.507 -1.366 1.00 0.00 H new ATOM 0 HB2 ALA A 593 -4.641 4.971 -2.372 1.00 0.00 H new ATOM 0 HB3 ALA A 593 -5.542 4.885 -0.840 1.00 0.00 H new ATOM 937 N CYS A 594 -8.203 3.228 -0.905 1.00 0.00 N ATOM 938 CA CYS A 594 -9.003 2.391 -0.018 1.00 0.00 C ATOM 939 C CYS A 594 -9.730 1.305 -0.804 1.00 0.00 C ATOM 940 O CYS A 594 -9.628 0.120 -0.484 1.00 0.00 O ATOM 941 CB CYS A 594 -10.013 3.246 0.749 1.00 0.00 C ATOM 942 SG CYS A 594 -9.262 4.482 1.834 1.00 0.00 S ATOM 0 H CYS A 594 -8.531 4.191 -0.986 1.00 0.00 H new ATOM 0 HA CYS A 594 -8.331 1.910 0.693 1.00 0.00 H new ATOM 0 HB2 CYS A 594 -10.661 3.752 0.034 1.00 0.00 H new ATOM 0 HB3 CYS A 594 -10.647 2.591 1.347 1.00 0.00 H new ATOM 0 HG CYS A 594 -8.741 5.432 1.115 1.00 0.00 H new ATOM 948 N ARG A 595 -10.465 1.716 -1.831 1.00 0.00 N ATOM 949 CA ARG A 595 -11.211 0.779 -2.661 1.00 0.00 C ATOM 950 C ARG A 595 -10.273 -0.225 -3.326 1.00 0.00 C ATOM 951 O ARG A 595 -10.562 -1.420 -3.376 1.00 0.00 O ATOM 952 CB ARG A 595 -12.009 1.531 -3.728 1.00 0.00 C ATOM 953 CG ARG A 595 -13.109 2.411 -3.157 1.00 0.00 C ATOM 954 CD ARG A 595 -13.606 3.418 -4.183 1.00 0.00 C ATOM 955 NE ARG A 595 -14.707 2.887 -4.982 1.00 0.00 N ATOM 956 CZ ARG A 595 -15.065 3.383 -6.161 1.00 0.00 C ATOM 957 NH1 ARG A 595 -14.412 4.415 -6.676 1.00 0.00 N ATOM 958 NH2 ARG A 595 -16.079 2.846 -6.828 1.00 0.00 N ATOM 0 H ARG A 595 -10.560 2.693 -2.109 1.00 0.00 H new ATOM 0 HA ARG A 595 -11.902 0.234 -2.017 1.00 0.00 H new ATOM 0 HB2 ARG A 595 -11.327 2.149 -4.312 1.00 0.00 H new ATOM 0 HB3 ARG A 595 -12.452 0.809 -4.414 1.00 0.00 H new ATOM 0 HG2 ARG A 595 -13.940 1.788 -2.825 1.00 0.00 H new ATOM 0 HG3 ARG A 595 -12.736 2.938 -2.279 1.00 0.00 H new ATOM 0 HD2 ARG A 595 -13.932 4.324 -3.673 1.00 0.00 H new ATOM 0 HD3 ARG A 595 -12.784 3.701 -4.841 1.00 0.00 H new ATOM 0 HE ARG A 595 -15.230 2.092 -4.615 1.00 0.00 H new ATOM 0 HH11 ARG A 595 -13.632 4.831 -6.167 1.00 0.00 H new ATOM 0 HH12 ARG A 595 -14.689 4.794 -7.582 1.00 0.00 H new ATOM 0 HH21 ARG A 595 -16.584 2.052 -6.435 1.00 0.00 H new ATOM 0 HH22 ARG A 595 -16.353 3.228 -7.733 1.00 0.00 H new ATOM 972 N MET A 596 -9.150 0.270 -3.835 1.00 0.00 N ATOM 973 CA MET A 596 -8.170 -0.583 -4.496 1.00 0.00 C ATOM 974 C MET A 596 -7.491 -1.510 -3.492 1.00 0.00 C ATOM 975 O MET A 596 -7.437 -2.723 -3.692 1.00 0.00 O ATOM 976 CB MET A 596 -7.120 0.269 -5.212 1.00 0.00 C ATOM 977 CG MET A 596 -7.690 1.115 -6.339 1.00 0.00 C ATOM 978 SD MET A 596 -6.469 1.490 -7.611 1.00 0.00 S ATOM 979 CE MET A 596 -5.124 2.125 -6.613 1.00 0.00 C ATOM 0 H MET A 596 -8.896 1.257 -3.802 1.00 0.00 H new ATOM 0 HA MET A 596 -8.694 -1.194 -5.231 1.00 0.00 H new ATOM 0 HB2 MET A 596 -6.638 0.923 -4.486 1.00 0.00 H new ATOM 0 HB3 MET A 596 -6.346 -0.385 -5.615 1.00 0.00 H new ATOM 0 HG2 MET A 596 -8.532 0.591 -6.792 1.00 0.00 H new ATOM 0 HG3 MET A 596 -8.079 2.047 -5.928 1.00 0.00 H new ATOM 0 HE1 MET A 596 -4.612 2.919 -7.156 1.00 0.00 H new ATOM 0 HE2 MET A 596 -5.520 2.521 -5.678 1.00 0.00 H new ATOM 0 HE3 MET A 596 -4.420 1.321 -6.397 1.00 0.00 H new ATOM 989 N MET A 597 -6.974 -0.930 -2.414 1.00 0.00 N ATOM 990 CA MET A 597 -6.300 -1.705 -1.379 1.00 0.00 C ATOM 991 C MET A 597 -7.300 -2.543 -0.589 1.00 0.00 C ATOM 992 O MET A 597 -7.313 -3.769 -0.689 1.00 0.00 O ATOM 993 CB MET A 597 -5.535 -0.777 -0.433 1.00 0.00 C ATOM 994 CG MET A 597 -4.373 -0.057 -1.098 1.00 0.00 C ATOM 995 SD MET A 597 -3.319 -1.168 -2.048 1.00 0.00 S ATOM 996 CE MET A 597 -1.744 -0.322 -1.934 1.00 0.00 C ATOM 0 H MET A 597 -7.009 0.073 -2.234 1.00 0.00 H new ATOM 0 HA MET A 597 -5.594 -2.377 -1.866 1.00 0.00 H new ATOM 0 HB2 MET A 597 -6.225 -0.038 -0.025 1.00 0.00 H new ATOM 0 HB3 MET A 597 -5.158 -1.359 0.408 1.00 0.00 H new ATOM 0 HG2 MET A 597 -4.761 0.720 -1.756 1.00 0.00 H new ATOM 0 HG3 MET A 597 -3.775 0.441 -0.335 1.00 0.00 H new ATOM 0 HE1 MET A 597 -1.162 -0.514 -2.836 1.00 0.00 H new ATOM 0 HE2 MET A 597 -1.913 0.750 -1.832 1.00 0.00 H new ATOM 0 HE3 MET A 597 -1.197 -0.687 -1.065 1.00 0.00 H new ATOM 1006 N ASN A 598 -8.137 -1.873 0.197 1.00 0.00 N ATOM 1007 CA ASN A 598 -9.140 -2.557 1.005 1.00 0.00 C ATOM 1008 C ASN A 598 -9.669 -3.793 0.284 1.00 0.00 C ATOM 1009 O ASN A 598 -10.547 -3.695 -0.572 1.00 0.00 O ATOM 1010 CB ASN A 598 -10.295 -1.609 1.332 1.00 0.00 C ATOM 1011 CG ASN A 598 -11.211 -2.161 2.407 1.00 0.00 C ATOM 1012 OD1 ASN A 598 -11.275 -1.631 3.516 1.00 0.00 O ATOM 1013 ND2 ASN A 598 -11.925 -3.233 2.082 1.00 0.00 N ATOM 0 H ASN A 598 -8.140 -0.857 0.291 1.00 0.00 H new ATOM 0 HA ASN A 598 -8.667 -2.875 1.934 1.00 0.00 H new ATOM 0 HB2 ASN A 598 -9.893 -0.650 1.659 1.00 0.00 H new ATOM 0 HB3 ASN A 598 -10.873 -1.420 0.428 1.00 0.00 H new ATOM 0 HD21 ASN A 598 -12.558 -3.650 2.764 1.00 0.00 H new ATOM 0 HD22 ASN A 598 -11.840 -3.639 1.150 1.00 0.00 H new ATOM 1020 N GLY A 599 -9.129 -4.955 0.637 1.00 0.00 N ATOM 1021 CA GLY A 599 -9.560 -6.193 0.015 1.00 0.00 C ATOM 1022 C GLY A 599 -8.409 -6.963 -0.602 1.00 0.00 C ATOM 1023 O GLY A 599 -8.618 -7.974 -1.272 1.00 0.00 O ATOM 0 H GLY A 599 -8.400 -5.061 1.343 1.00 0.00 H new ATOM 0 HA2 GLY A 599 -10.053 -6.818 0.760 1.00 0.00 H new ATOM 0 HA3 GLY A 599 -10.299 -5.971 -0.755 1.00 0.00 H new ATOM 1027 N MET A 600 -7.190 -6.482 -0.378 1.00 0.00 N ATOM 1028 CA MET A 600 -6.001 -7.132 -0.917 1.00 0.00 C ATOM 1029 C MET A 600 -5.337 -8.013 0.136 1.00 0.00 C ATOM 1030 O MET A 600 -5.016 -7.553 1.232 1.00 0.00 O ATOM 1031 CB MET A 600 -5.007 -6.086 -1.424 1.00 0.00 C ATOM 1032 CG MET A 600 -4.184 -5.444 -0.319 1.00 0.00 C ATOM 1033 SD MET A 600 -3.082 -4.156 -0.933 1.00 0.00 S ATOM 1034 CE MET A 600 -2.230 -3.693 0.573 1.00 0.00 C ATOM 0 H MET A 600 -7.000 -5.645 0.173 1.00 0.00 H new ATOM 0 HA MET A 600 -6.310 -7.763 -1.750 1.00 0.00 H new ATOM 0 HB2 MET A 600 -4.334 -6.554 -2.142 1.00 0.00 H new ATOM 0 HB3 MET A 600 -5.552 -5.308 -1.959 1.00 0.00 H new ATOM 0 HG2 MET A 600 -4.854 -5.018 0.427 1.00 0.00 H new ATOM 0 HG3 MET A 600 -3.595 -6.212 0.183 1.00 0.00 H new ATOM 0 HE1 MET A 600 -1.188 -3.468 0.347 1.00 0.00 H new ATOM 0 HE2 MET A 600 -2.706 -2.812 1.004 1.00 0.00 H new ATOM 0 HE3 MET A 600 -2.277 -4.516 1.286 1.00 0.00 H new ATOM 1044 N LYS A 601 -5.135 -9.282 -0.202 1.00 0.00 N ATOM 1045 CA LYS A 601 -4.508 -10.227 0.715 1.00 0.00 C ATOM 1046 C LYS A 601 -2.988 -10.170 0.600 1.00 0.00 C ATOM 1047 O LYS A 601 -2.407 -10.697 -0.349 1.00 0.00 O ATOM 1048 CB LYS A 601 -4.999 -11.648 0.428 1.00 0.00 C ATOM 1049 CG LYS A 601 -6.406 -11.920 0.932 1.00 0.00 C ATOM 1050 CD LYS A 601 -6.668 -13.409 1.079 1.00 0.00 C ATOM 1051 CE LYS A 601 -7.883 -13.678 1.953 1.00 0.00 C ATOM 1052 NZ LYS A 601 -7.940 -15.096 2.403 1.00 0.00 N ATOM 0 H LYS A 601 -5.396 -9.680 -1.104 1.00 0.00 H new ATOM 0 HA LYS A 601 -4.788 -9.950 1.731 1.00 0.00 H new ATOM 0 HB2 LYS A 601 -4.967 -11.824 -0.647 1.00 0.00 H new ATOM 0 HB3 LYS A 601 -4.314 -12.360 0.888 1.00 0.00 H new ATOM 0 HG2 LYS A 601 -6.550 -11.428 1.894 1.00 0.00 H new ATOM 0 HG3 LYS A 601 -7.131 -11.489 0.241 1.00 0.00 H new ATOM 0 HD2 LYS A 601 -6.822 -13.851 0.095 1.00 0.00 H new ATOM 0 HD3 LYS A 601 -5.793 -13.892 1.513 1.00 0.00 H new ATOM 0 HE2 LYS A 601 -7.857 -13.022 2.823 1.00 0.00 H new ATOM 0 HE3 LYS A 601 -8.790 -13.436 1.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 601 -8.782 -15.238 2.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 601 -7.991 -15.722 1.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 601 -7.087 -15.320 2.954 1.00 0.00 H new ATOM 1066 N LEU A 602 -2.350 -9.529 1.573 1.00 0.00 N ATOM 1067 CA LEU A 602 -0.897 -9.405 1.583 1.00 0.00 C ATOM 1068 C LEU A 602 -0.243 -10.698 2.059 1.00 0.00 C ATOM 1069 O LEU A 602 -0.176 -10.967 3.258 1.00 0.00 O ATOM 1070 CB LEU A 602 -0.470 -8.243 2.482 1.00 0.00 C ATOM 1071 CG LEU A 602 -0.989 -6.861 2.084 1.00 0.00 C ATOM 1072 CD1 LEU A 602 -0.215 -5.771 2.808 1.00 0.00 C ATOM 1073 CD2 LEU A 602 -0.898 -6.671 0.577 1.00 0.00 C ATOM 0 H LEU A 602 -2.816 -9.087 2.365 1.00 0.00 H new ATOM 0 HA LEU A 602 -0.567 -9.207 0.563 1.00 0.00 H new ATOM 0 HB2 LEU A 602 -0.802 -8.455 3.498 1.00 0.00 H new ATOM 0 HB3 LEU A 602 0.619 -8.208 2.504 1.00 0.00 H new ATOM 0 HG LEU A 602 -2.037 -6.789 2.377 1.00 0.00 H new ATOM 0 HD11 LEU A 602 -0.599 -4.795 2.512 1.00 0.00 H new ATOM 0 HD12 LEU A 602 -0.332 -5.896 3.885 1.00 0.00 H new ATOM 0 HD13 LEU A 602 0.841 -5.840 2.547 1.00 0.00 H new ATOM 0 HD21 LEU A 602 -1.272 -5.682 0.312 1.00 0.00 H new ATOM 0 HD22 LEU A 602 0.141 -6.763 0.261 1.00 0.00 H new ATOM 0 HD23 LEU A 602 -1.498 -7.432 0.077 1.00 0.00 H new ATOM 1085 N SER A 603 0.241 -11.495 1.111 1.00 0.00 N ATOM 1086 CA SER A 603 0.889 -12.761 1.433 1.00 0.00 C ATOM 1087 C SER A 603 -0.087 -13.711 2.121 1.00 0.00 C ATOM 1088 O SER A 603 0.318 -14.603 2.865 1.00 0.00 O ATOM 1089 CB SER A 603 2.104 -12.522 2.330 1.00 0.00 C ATOM 1090 OG SER A 603 3.098 -13.509 2.116 1.00 0.00 O ATOM 0 H SER A 603 0.196 -11.286 0.114 1.00 0.00 H new ATOM 0 HA SER A 603 1.219 -13.220 0.501 1.00 0.00 H new ATOM 0 HB2 SER A 603 2.519 -11.534 2.130 1.00 0.00 H new ATOM 0 HB3 SER A 603 1.796 -12.532 3.375 1.00 0.00 H new ATOM 0 HG SER A 603 3.865 -13.333 2.700 1.00 0.00 H new ATOM 1096 N GLY A 604 -1.377 -13.511 1.866 1.00 0.00 N ATOM 1097 CA GLY A 604 -2.391 -14.357 2.468 1.00 0.00 C ATOM 1098 C GLY A 604 -3.022 -13.723 3.692 1.00 0.00 C ATOM 1099 O GLY A 604 -3.507 -14.423 4.581 1.00 0.00 O ATOM 0 H GLY A 604 -1.737 -12.779 1.254 1.00 0.00 H new ATOM 0 HA2 GLY A 604 -3.166 -14.570 1.732 1.00 0.00 H new ATOM 0 HA3 GLY A 604 -1.945 -15.312 2.746 1.00 0.00 H new ATOM 1103 N ARG A 605 -3.015 -12.395 3.739 1.00 0.00 N ATOM 1104 CA ARG A 605 -3.589 -11.667 4.864 1.00 0.00 C ATOM 1105 C ARG A 605 -4.517 -10.558 4.378 1.00 0.00 C ATOM 1106 O ARG A 605 -4.072 -9.590 3.761 1.00 0.00 O ATOM 1107 CB ARG A 605 -2.479 -11.074 5.735 1.00 0.00 C ATOM 1108 CG ARG A 605 -1.701 -12.116 6.522 1.00 0.00 C ATOM 1109 CD ARG A 605 -1.169 -11.544 7.827 1.00 0.00 C ATOM 1110 NE ARG A 605 -0.568 -12.574 8.670 1.00 0.00 N ATOM 1111 CZ ARG A 605 -1.270 -13.376 9.464 1.00 0.00 C ATOM 1112 NH1 ARG A 605 -2.590 -13.267 9.521 1.00 0.00 N ATOM 1113 NH2 ARG A 605 -0.651 -14.288 10.202 1.00 0.00 N ATOM 0 H ARG A 605 -2.618 -11.801 3.011 1.00 0.00 H new ATOM 0 HA ARG A 605 -4.172 -12.369 5.459 1.00 0.00 H new ATOM 0 HB2 ARG A 605 -1.788 -10.519 5.100 1.00 0.00 H new ATOM 0 HB3 ARG A 605 -2.917 -10.358 6.430 1.00 0.00 H new ATOM 0 HG2 ARG A 605 -2.345 -12.970 6.733 1.00 0.00 H new ATOM 0 HG3 ARG A 605 -0.871 -12.484 5.919 1.00 0.00 H new ATOM 0 HD2 ARG A 605 -0.428 -10.775 7.610 1.00 0.00 H new ATOM 0 HD3 ARG A 605 -1.982 -11.060 8.369 1.00 0.00 H new ATOM 0 HE ARG A 605 0.446 -12.684 8.648 1.00 0.00 H new ATOM 0 HH11 ARG A 605 -3.069 -12.567 8.955 1.00 0.00 H new ATOM 0 HH12 ARG A 605 -3.127 -13.884 10.131 1.00 0.00 H new ATOM 0 HH21 ARG A 605 0.365 -14.374 10.160 1.00 0.00 H new ATOM 0 HH22 ARG A 605 -1.191 -14.903 10.811 1.00 0.00 H new ATOM 1127 N GLU A 606 -5.807 -10.706 4.660 1.00 0.00 N ATOM 1128 CA GLU A 606 -6.797 -9.717 4.250 1.00 0.00 C ATOM 1129 C GLU A 606 -6.716 -8.470 5.127 1.00 0.00 C ATOM 1130 O GLU A 606 -6.551 -8.564 6.344 1.00 0.00 O ATOM 1131 CB GLU A 606 -8.205 -10.312 4.320 1.00 0.00 C ATOM 1132 CG GLU A 606 -9.148 -9.769 3.260 1.00 0.00 C ATOM 1133 CD GLU A 606 -10.593 -9.750 3.719 1.00 0.00 C ATOM 1134 OE1 GLU A 606 -10.829 -9.514 4.923 1.00 0.00 O ATOM 1135 OE2 GLU A 606 -11.487 -9.972 2.877 1.00 0.00 O ATOM 0 H GLU A 606 -6.191 -11.501 5.171 1.00 0.00 H new ATOM 0 HA GLU A 606 -6.582 -9.431 3.220 1.00 0.00 H new ATOM 0 HB2 GLU A 606 -8.138 -11.395 4.215 1.00 0.00 H new ATOM 0 HB3 GLU A 606 -8.626 -10.113 5.305 1.00 0.00 H new ATOM 0 HG2 GLU A 606 -8.843 -8.758 2.991 1.00 0.00 H new ATOM 0 HG3 GLU A 606 -9.065 -10.377 2.359 1.00 0.00 H new ATOM 1142 N ILE A 607 -6.832 -7.305 4.500 1.00 0.00 N ATOM 1143 CA ILE A 607 -6.772 -6.040 5.222 1.00 0.00 C ATOM 1144 C ILE A 607 -7.958 -5.149 4.869 1.00 0.00 C ATOM 1145 O ILE A 607 -8.532 -5.261 3.786 1.00 0.00 O ATOM 1146 CB ILE A 607 -5.467 -5.280 4.919 1.00 0.00 C ATOM 1147 CG1 ILE A 607 -5.197 -5.265 3.413 1.00 0.00 C ATOM 1148 CG2 ILE A 607 -4.301 -5.912 5.665 1.00 0.00 C ATOM 1149 CD1 ILE A 607 -3.950 -4.499 3.030 1.00 0.00 C ATOM 0 H ILE A 607 -6.968 -7.210 3.494 1.00 0.00 H new ATOM 0 HA ILE A 607 -6.805 -6.282 6.284 1.00 0.00 H new ATOM 0 HB ILE A 607 -5.576 -4.250 5.260 1.00 0.00 H new ATOM 0 HG12 ILE A 607 -5.106 -6.292 3.058 1.00 0.00 H new ATOM 0 HG13 ILE A 607 -6.054 -4.826 2.903 1.00 0.00 H new ATOM 0 HG21 ILE A 607 -3.386 -5.364 5.441 1.00 0.00 H new ATOM 0 HG22 ILE A 607 -4.492 -5.875 6.737 1.00 0.00 H new ATOM 0 HG23 ILE A 607 -4.188 -6.950 5.352 1.00 0.00 H new ATOM 0 HD11 ILE A 607 -3.822 -4.531 1.948 1.00 0.00 H new ATOM 0 HD12 ILE A 607 -4.046 -3.463 3.354 1.00 0.00 H new ATOM 0 HD13 ILE A 607 -3.083 -4.951 3.512 1.00 0.00 H new ATOM 1161 N ASP A 608 -8.321 -4.264 5.791 1.00 0.00 N ATOM 1162 CA ASP A 608 -9.438 -3.351 5.578 1.00 0.00 C ATOM 1163 C ASP A 608 -8.969 -1.900 5.618 1.00 0.00 C ATOM 1164 O ASP A 608 -8.551 -1.401 6.663 1.00 0.00 O ATOM 1165 CB ASP A 608 -10.520 -3.580 6.634 1.00 0.00 C ATOM 1166 CG ASP A 608 -11.528 -4.631 6.211 1.00 0.00 C ATOM 1167 OD1 ASP A 608 -12.174 -4.444 5.159 1.00 0.00 O ATOM 1168 OD2 ASP A 608 -11.670 -5.640 6.932 1.00 0.00 O ATOM 0 H ASP A 608 -7.858 -4.159 6.694 1.00 0.00 H new ATOM 0 HA ASP A 608 -9.856 -3.551 4.592 1.00 0.00 H new ATOM 0 HB2 ASP A 608 -10.052 -3.886 7.570 1.00 0.00 H new ATOM 0 HB3 ASP A 608 -11.038 -2.641 6.829 1.00 0.00 H new ATOM 1173 N VAL A 609 -9.040 -1.228 4.474 1.00 0.00 N ATOM 1174 CA VAL A 609 -8.623 0.166 4.378 1.00 0.00 C ATOM 1175 C VAL A 609 -9.828 1.093 4.268 1.00 0.00 C ATOM 1176 O VAL A 609 -10.657 0.948 3.370 1.00 0.00 O ATOM 1177 CB VAL A 609 -7.701 0.394 3.165 1.00 0.00 C ATOM 1178 CG1 VAL A 609 -7.012 1.746 3.265 1.00 0.00 C ATOM 1179 CG2 VAL A 609 -6.680 -0.728 3.054 1.00 0.00 C ATOM 0 H VAL A 609 -9.383 -1.626 3.600 1.00 0.00 H new ATOM 0 HA VAL A 609 -8.073 0.396 5.291 1.00 0.00 H new ATOM 0 HB VAL A 609 -8.310 0.390 2.261 1.00 0.00 H new ATOM 0 HG11 VAL A 609 -6.365 1.889 2.400 1.00 0.00 H new ATOM 0 HG12 VAL A 609 -7.763 2.536 3.292 1.00 0.00 H new ATOM 0 HG13 VAL A 609 -6.414 1.783 4.175 1.00 0.00 H new ATOM 0 HG21 VAL A 609 -6.037 -0.551 2.192 1.00 0.00 H new ATOM 0 HG22 VAL A 609 -6.073 -0.759 3.959 1.00 0.00 H new ATOM 0 HG23 VAL A 609 -7.197 -1.680 2.932 1.00 0.00 H new ATOM 1189 N ARG A 610 -9.918 2.048 5.188 1.00 0.00 N ATOM 1190 CA ARG A 610 -11.022 3.000 5.196 1.00 0.00 C ATOM 1191 C ARG A 610 -10.505 4.432 5.303 1.00 0.00 C ATOM 1192 O ARG A 610 -9.319 4.657 5.545 1.00 0.00 O ATOM 1193 CB ARG A 610 -11.974 2.702 6.356 1.00 0.00 C ATOM 1194 CG ARG A 610 -12.959 1.582 6.063 1.00 0.00 C ATOM 1195 CD ARG A 610 -12.468 0.250 6.609 1.00 0.00 C ATOM 1196 NE ARG A 610 -12.269 0.291 8.055 1.00 0.00 N ATOM 1197 CZ ARG A 610 -12.351 -0.779 8.838 1.00 0.00 C ATOM 1198 NH1 ARG A 610 -12.626 -1.967 8.317 1.00 0.00 N ATOM 1199 NH2 ARG A 610 -12.157 -0.662 10.146 1.00 0.00 N ATOM 0 H ARG A 610 -9.239 2.183 5.938 1.00 0.00 H new ATOM 0 HA ARG A 610 -11.563 2.897 4.256 1.00 0.00 H new ATOM 0 HB2 ARG A 610 -11.389 2.438 7.237 1.00 0.00 H new ATOM 0 HB3 ARG A 610 -12.529 3.608 6.601 1.00 0.00 H new ATOM 0 HG2 ARG A 610 -13.926 1.823 6.504 1.00 0.00 H new ATOM 0 HG3 ARG A 610 -13.110 1.502 4.987 1.00 0.00 H new ATOM 0 HD2 ARG A 610 -13.189 -0.530 6.364 1.00 0.00 H new ATOM 0 HD3 ARG A 610 -11.531 -0.018 6.122 1.00 0.00 H new ATOM 0 HE ARG A 610 -12.055 1.190 8.487 1.00 0.00 H new ATOM 0 HH11 ARG A 610 -12.775 -2.061 7.312 1.00 0.00 H new ATOM 0 HH12 ARG A 610 -12.688 -2.787 8.921 1.00 0.00 H new ATOM 0 HH21 ARG A 610 -11.945 0.250 10.551 1.00 0.00 H new ATOM 0 HH22 ARG A 610 -12.220 -1.484 10.746 1.00 0.00 H new ATOM 1213 N ILE A 611 -11.403 5.395 5.121 1.00 0.00 N ATOM 1214 CA ILE A 611 -11.037 6.803 5.198 1.00 0.00 C ATOM 1215 C ILE A 611 -11.029 7.291 6.643 1.00 0.00 C ATOM 1216 O ILE A 611 -12.015 7.144 7.365 1.00 0.00 O ATOM 1217 CB ILE A 611 -12.001 7.681 4.378 1.00 0.00 C ATOM 1218 CG1 ILE A 611 -11.790 7.446 2.881 1.00 0.00 C ATOM 1219 CG2 ILE A 611 -11.803 9.150 4.722 1.00 0.00 C ATOM 1220 CD1 ILE A 611 -10.483 8.002 2.360 1.00 0.00 C ATOM 0 H ILE A 611 -12.388 5.225 4.919 1.00 0.00 H new ATOM 0 HA ILE A 611 -10.034 6.891 4.781 1.00 0.00 H new ATOM 0 HB ILE A 611 -13.025 7.404 4.630 1.00 0.00 H new ATOM 0 HG12 ILE A 611 -11.825 6.375 2.681 1.00 0.00 H new ATOM 0 HG13 ILE A 611 -12.614 7.900 2.331 1.00 0.00 H new ATOM 0 HG21 ILE A 611 -12.491 9.757 4.134 1.00 0.00 H new ATOM 0 HG22 ILE A 611 -11.998 9.305 5.783 1.00 0.00 H new ATOM 0 HG23 ILE A 611 -10.778 9.442 4.495 1.00 0.00 H new ATOM 0 HD11 ILE A 611 -10.401 7.799 1.292 1.00 0.00 H new ATOM 0 HD12 ILE A 611 -10.453 9.079 2.528 1.00 0.00 H new ATOM 0 HD13 ILE A 611 -9.652 7.530 2.884 1.00 0.00 H new ATOM 1232 N ASP A 612 -9.909 7.873 7.059 1.00 0.00 N ATOM 1233 CA ASP A 612 -9.773 8.386 8.417 1.00 0.00 C ATOM 1234 C ASP A 612 -9.903 9.906 8.440 1.00 0.00 C ATOM 1235 O ASP A 612 -8.906 10.623 8.522 1.00 0.00 O ATOM 1236 CB ASP A 612 -8.426 7.968 9.010 1.00 0.00 C ATOM 1237 CG ASP A 612 -8.483 7.802 10.515 1.00 0.00 C ATOM 1238 OD1 ASP A 612 -9.232 6.921 10.988 1.00 0.00 O ATOM 1239 OD2 ASP A 612 -7.777 8.552 11.222 1.00 0.00 O ATOM 0 H ASP A 612 -9.083 8.001 6.475 1.00 0.00 H new ATOM 0 HA ASP A 612 -10.575 7.962 9.021 1.00 0.00 H new ATOM 0 HB2 ASP A 612 -8.108 7.030 8.556 1.00 0.00 H new ATOM 0 HB3 ASP A 612 -7.674 8.715 8.758 1.00 0.00 H new