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 597 MET CE :methyl 139:sc= -3.27 (180deg=-5.12!) USER MOD Set 1.2: A 600 MET CE :methyl 139:sc= -5.93! (180deg=-11.4!) USER MOD Set 2.1: A 561 CYS SG : rot 130:sc= -0.0499 USER MOD Set 2.2: A 596 MET CE :methyl -138:sc= -0.858 (180deg=-0.495) USER MOD Single : A 544 ASN :FLIP amide:sc= -0.995 F(o=-2!,f=-1) USER MOD Single : A 550 THR OG1 : rot 180:sc= 0 USER MOD Single : A 552 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 553 MET CE :methyl -162:sc= -0.0146 (180deg=-0.242) 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= -0.22 X(o=-0.22,f=-0.096!) USER MOD Single : A 563 HIS :FLIP no HE2:sc= -2 F(o=-2.7!,f=-2) USER MOD Single : A 566 TYR OH : rot 180:sc= -0.546 USER MOD Single : A 570 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 577 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 579 CYS SG : rot 22:sc= -2.11 USER MOD Single : A 583 LYS NZ :NH3+ -109:sc= -1.96! (180deg=-5.29!) USER MOD Single : A 586 SER OG : rot 180:sc= 0 USER MOD Single : A 594 CYS SG : rot 69:sc= -3.84! USER MOD Single : A 598 ASN : amide:sc= -1.61 K(o=-1.6,f=-6.5!) 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 -5.950 11.463 5.432 1.00 0.00 N ATOM 60 CA GLY A 539 -5.123 10.298 5.684 1.00 0.00 C ATOM 61 C GLY A 539 -5.943 9.052 5.958 1.00 0.00 C ATOM 62 O GLY A 539 -6.798 9.047 6.845 1.00 0.00 O ATOM 0 HA2 GLY A 539 -4.477 10.122 4.824 1.00 0.00 H new ATOM 0 HA3 GLY A 539 -4.473 10.496 6.536 1.00 0.00 H new ATOM 66 N ILE A 540 -5.684 7.996 5.195 1.00 0.00 N ATOM 67 CA ILE A 540 -6.406 6.740 5.360 1.00 0.00 C ATOM 68 C ILE A 540 -5.792 5.895 6.471 1.00 0.00 C ATOM 69 O ILE A 540 -4.783 6.273 7.067 1.00 0.00 O ATOM 70 CB ILE A 540 -6.417 5.922 4.055 1.00 0.00 C ATOM 71 CG1 ILE A 540 -5.050 5.276 3.820 1.00 0.00 C ATOM 72 CG2 ILE A 540 -6.800 6.807 2.878 1.00 0.00 C ATOM 73 CD1 ILE A 540 -5.033 4.302 2.663 1.00 0.00 C ATOM 0 H ILE A 540 -4.980 7.985 4.457 1.00 0.00 H new ATOM 0 HA ILE A 540 -7.431 6.998 5.627 1.00 0.00 H new ATOM 0 HB ILE A 540 -7.161 5.130 4.147 1.00 0.00 H new ATOM 0 HG12 ILE A 540 -4.314 6.059 3.636 1.00 0.00 H new ATOM 0 HG13 ILE A 540 -4.742 4.756 4.727 1.00 0.00 H new ATOM 0 HG21 ILE A 540 -6.803 6.214 1.963 1.00 0.00 H new ATOM 0 HG22 ILE A 540 -7.793 7.224 3.044 1.00 0.00 H new ATOM 0 HG23 ILE A 540 -6.078 7.618 2.782 1.00 0.00 H new ATOM 0 HD11 ILE A 540 -4.033 3.883 2.555 1.00 0.00 H new ATOM 0 HD12 ILE A 540 -5.745 3.499 2.853 1.00 0.00 H new ATOM 0 HD13 ILE A 540 -5.310 4.822 1.746 1.00 0.00 H new ATOM 85 N PHE A 541 -6.406 4.749 6.743 1.00 0.00 N ATOM 86 CA PHE A 541 -5.919 3.849 7.782 1.00 0.00 C ATOM 87 C PHE A 541 -5.992 2.396 7.321 1.00 0.00 C ATOM 88 O PHE A 541 -6.879 2.019 6.555 1.00 0.00 O ATOM 89 CB PHE A 541 -6.733 4.030 9.065 1.00 0.00 C ATOM 90 CG PHE A 541 -5.973 3.677 10.312 1.00 0.00 C ATOM 91 CD1 PHE A 541 -5.829 2.354 10.700 1.00 0.00 C ATOM 92 CD2 PHE A 541 -5.404 4.667 11.096 1.00 0.00 C ATOM 93 CE1 PHE A 541 -5.130 2.026 11.846 1.00 0.00 C ATOM 94 CE2 PHE A 541 -4.704 4.345 12.243 1.00 0.00 C ATOM 95 CZ PHE A 541 -4.568 3.023 12.619 1.00 0.00 C ATOM 0 H PHE A 541 -7.242 4.421 6.259 1.00 0.00 H new ATOM 0 HA PHE A 541 -4.877 4.096 7.983 1.00 0.00 H new ATOM 0 HB2 PHE A 541 -7.065 5.066 9.132 1.00 0.00 H new ATOM 0 HB3 PHE A 541 -7.629 3.412 9.008 1.00 0.00 H new ATOM 0 HD1 PHE A 541 -6.268 1.571 10.100 1.00 0.00 H new ATOM 0 HD2 PHE A 541 -5.509 5.702 10.807 1.00 0.00 H new ATOM 0 HE1 PHE A 541 -5.023 0.991 12.137 1.00 0.00 H new ATOM 0 HE2 PHE A 541 -4.264 5.126 12.845 1.00 0.00 H new ATOM 0 HZ PHE A 541 -4.023 2.769 13.516 1.00 0.00 H new ATOM 105 N VAL A 542 -5.051 1.584 7.793 1.00 0.00 N ATOM 106 CA VAL A 542 -5.007 0.173 7.430 1.00 0.00 C ATOM 107 C VAL A 542 -4.912 -0.710 8.670 1.00 0.00 C ATOM 108 O VAL A 542 -4.356 -0.306 9.691 1.00 0.00 O ATOM 109 CB VAL A 542 -3.816 -0.132 6.503 1.00 0.00 C ATOM 110 CG1 VAL A 542 -3.988 -1.491 5.842 1.00 0.00 C ATOM 111 CG2 VAL A 542 -3.660 0.963 5.459 1.00 0.00 C ATOM 0 H VAL A 542 -4.309 1.880 8.428 1.00 0.00 H new ATOM 0 HA VAL A 542 -5.934 -0.047 6.901 1.00 0.00 H new ATOM 0 HB VAL A 542 -2.907 -0.160 7.104 1.00 0.00 H new ATOM 0 HG11 VAL A 542 -3.137 -1.689 5.191 1.00 0.00 H new ATOM 0 HG12 VAL A 542 -4.046 -2.264 6.609 1.00 0.00 H new ATOM 0 HG13 VAL A 542 -4.905 -1.495 5.252 1.00 0.00 H new ATOM 0 HG21 VAL A 542 -2.814 0.731 4.812 1.00 0.00 H new ATOM 0 HG22 VAL A 542 -4.568 1.026 4.859 1.00 0.00 H new ATOM 0 HG23 VAL A 542 -3.486 1.917 5.956 1.00 0.00 H new ATOM 121 N ARG A 543 -5.458 -1.918 8.572 1.00 0.00 N ATOM 122 CA ARG A 543 -5.435 -2.859 9.686 1.00 0.00 C ATOM 123 C ARG A 543 -5.260 -4.290 9.185 1.00 0.00 C ATOM 124 O ARG A 543 -5.550 -4.593 8.029 1.00 0.00 O ATOM 125 CB ARG A 543 -6.724 -2.747 10.502 1.00 0.00 C ATOM 126 CG ARG A 543 -6.652 -1.718 11.617 1.00 0.00 C ATOM 127 CD ARG A 543 -7.747 -1.937 12.650 1.00 0.00 C ATOM 128 NE ARG A 543 -9.073 -1.651 12.109 1.00 0.00 N ATOM 129 CZ ARG A 543 -10.203 -2.036 12.693 1.00 0.00 C ATOM 130 NH1 ARG A 543 -10.167 -2.718 13.830 1.00 0.00 N ATOM 131 NH2 ARG A 543 -11.371 -1.738 12.140 1.00 0.00 N ATOM 0 H ARG A 543 -5.921 -2.268 7.733 1.00 0.00 H new ATOM 0 HA ARG A 543 -4.587 -2.609 10.323 1.00 0.00 H new ATOM 0 HB2 ARG A 543 -7.546 -2.489 9.834 1.00 0.00 H new ATOM 0 HB3 ARG A 543 -6.957 -3.721 10.933 1.00 0.00 H new ATOM 0 HG2 ARG A 543 -5.677 -1.773 12.102 1.00 0.00 H new ATOM 0 HG3 ARG A 543 -6.743 -0.717 11.196 1.00 0.00 H new ATOM 0 HD2 ARG A 543 -7.713 -2.968 13.001 1.00 0.00 H new ATOM 0 HD3 ARG A 543 -7.563 -1.299 13.515 1.00 0.00 H new ATOM 0 HE ARG A 543 -9.135 -1.128 11.236 1.00 0.00 H new ATOM 0 HH11 ARG A 543 -9.270 -2.948 14.258 1.00 0.00 H new ATOM 0 HH12 ARG A 543 -11.036 -3.012 14.276 1.00 0.00 H new ATOM 0 HH21 ARG A 543 -11.402 -1.213 11.266 1.00 0.00 H new ATOM 0 HH22 ARG A 543 -12.238 -2.034 12.589 1.00 0.00 H new ATOM 145 N ASN A 544 -4.782 -5.164 10.064 1.00 0.00 N ATOM 146 CA ASN A 544 -4.566 -6.563 9.711 1.00 0.00 C ATOM 147 C ASN A 544 -3.408 -6.704 8.729 1.00 0.00 C ATOM 148 O ASN A 544 -3.498 -7.442 7.747 1.00 0.00 O ATOM 149 CB ASN A 544 -5.839 -7.160 9.106 1.00 0.00 C ATOM 150 CG ASN A 544 -5.887 -8.670 9.234 1.00 0.00 C ATOM 151 OD1 ASN A 544 -4.741 -9.316 9.048 1.00 0.00 O flip ATOM 152 ND2 ASN A 544 -6.941 -9.249 9.498 1.00 0.00 N flip ATOM 0 H ASN A 544 -4.537 -4.929 11.026 1.00 0.00 H new ATOM 0 HA ASN A 544 -4.314 -7.107 10.621 1.00 0.00 H new ATOM 0 HB2 ASN A 544 -6.710 -6.728 9.600 1.00 0.00 H new ATOM 0 HB3 ASN A 544 -5.901 -6.885 8.053 1.00 0.00 H new ATOM 0 HD21 ASN A 544 -7.798 -8.712 9.633 1.00 0.00 H new ATOM 0 HD22 ASN A 544 -6.957 -10.265 9.582 1.00 0.00 H new ATOM 159 N LEU A 545 -2.320 -5.992 9.000 1.00 0.00 N ATOM 160 CA LEU A 545 -1.142 -6.037 8.140 1.00 0.00 C ATOM 161 C LEU A 545 -0.144 -7.078 8.638 1.00 0.00 C ATOM 162 O LEU A 545 0.036 -7.277 9.840 1.00 0.00 O ATOM 163 CB LEU A 545 -0.475 -4.662 8.083 1.00 0.00 C ATOM 164 CG LEU A 545 -1.242 -3.575 7.329 1.00 0.00 C ATOM 165 CD1 LEU A 545 -0.737 -2.195 7.722 1.00 0.00 C ATOM 166 CD2 LEU A 545 -1.120 -3.781 5.826 1.00 0.00 C ATOM 0 H LEU A 545 -2.229 -5.377 9.808 1.00 0.00 H new ATOM 0 HA LEU A 545 -1.465 -6.319 7.138 1.00 0.00 H new ATOM 0 HB2 LEU A 545 -0.308 -4.319 9.104 1.00 0.00 H new ATOM 0 HB3 LEU A 545 0.505 -4.775 7.620 1.00 0.00 H new ATOM 0 HG LEU A 545 -2.295 -3.645 7.601 1.00 0.00 H new ATOM 0 HD11 LEU A 545 -1.294 -1.434 7.175 1.00 0.00 H new ATOM 0 HD12 LEU A 545 -0.877 -2.048 8.793 1.00 0.00 H new ATOM 0 HD13 LEU A 545 0.323 -2.113 7.480 1.00 0.00 H new ATOM 0 HD21 LEU A 545 -1.672 -2.998 5.305 1.00 0.00 H new ATOM 0 HD22 LEU A 545 -0.070 -3.738 5.537 1.00 0.00 H new ATOM 0 HD23 LEU A 545 -1.531 -4.754 5.558 1.00 0.00 H new ATOM 178 N PRO A 546 0.522 -7.759 7.693 1.00 0.00 N ATOM 179 CA PRO A 546 1.515 -8.789 8.012 1.00 0.00 C ATOM 180 C PRO A 546 2.783 -8.202 8.623 1.00 0.00 C ATOM 181 O PRO A 546 3.380 -7.278 8.071 1.00 0.00 O ATOM 182 CB PRO A 546 1.820 -9.421 6.652 1.00 0.00 C ATOM 183 CG PRO A 546 1.504 -8.355 5.660 1.00 0.00 C ATOM 184 CD PRO A 546 0.358 -7.574 6.242 1.00 0.00 C ATOM 0 HA PRO A 546 1.144 -9.497 8.753 1.00 0.00 H new ATOM 0 HB2 PRO A 546 2.863 -9.729 6.584 1.00 0.00 H new ATOM 0 HB3 PRO A 546 1.213 -10.311 6.484 1.00 0.00 H new ATOM 0 HG2 PRO A 546 2.368 -7.712 5.490 1.00 0.00 H new ATOM 0 HG3 PRO A 546 1.233 -8.787 4.697 1.00 0.00 H new ATOM 0 HD2 PRO A 546 0.406 -6.521 5.963 1.00 0.00 H new ATOM 0 HD3 PRO A 546 -0.604 -7.952 5.895 1.00 0.00 H new ATOM 192 N PHE A 547 3.190 -8.745 9.766 1.00 0.00 N ATOM 193 CA PHE A 547 4.387 -8.275 10.452 1.00 0.00 C ATOM 194 C PHE A 547 5.449 -7.831 9.451 1.00 0.00 C ATOM 195 O PHE A 547 5.851 -6.668 9.430 1.00 0.00 O ATOM 196 CB PHE A 547 4.949 -9.376 11.355 1.00 0.00 C ATOM 197 CG PHE A 547 3.954 -9.901 12.350 1.00 0.00 C ATOM 198 CD1 PHE A 547 3.302 -9.040 13.218 1.00 0.00 C ATOM 199 CD2 PHE A 547 3.672 -11.256 12.419 1.00 0.00 C ATOM 200 CE1 PHE A 547 2.386 -9.520 14.135 1.00 0.00 C ATOM 201 CE2 PHE A 547 2.756 -11.741 13.333 1.00 0.00 C ATOM 202 CZ PHE A 547 2.114 -10.872 14.193 1.00 0.00 C ATOM 0 H PHE A 547 2.708 -9.511 10.236 1.00 0.00 H new ATOM 0 HA PHE A 547 4.110 -7.417 11.065 1.00 0.00 H new ATOM 0 HB2 PHE A 547 5.300 -10.200 10.734 1.00 0.00 H new ATOM 0 HB3 PHE A 547 5.816 -8.989 11.890 1.00 0.00 H new ATOM 0 HD1 PHE A 547 3.512 -7.981 13.178 1.00 0.00 H new ATOM 0 HD2 PHE A 547 4.174 -11.941 11.751 1.00 0.00 H new ATOM 0 HE1 PHE A 547 1.884 -8.838 14.805 1.00 0.00 H new ATOM 0 HE2 PHE A 547 2.542 -12.799 13.375 1.00 0.00 H new ATOM 0 HZ PHE A 547 1.400 -11.250 14.910 1.00 0.00 H new ATOM 212 N ASP A 548 5.900 -8.767 8.623 1.00 0.00 N ATOM 213 CA ASP A 548 6.915 -8.474 7.618 1.00 0.00 C ATOM 214 C ASP A 548 6.737 -7.065 7.060 1.00 0.00 C ATOM 215 O ASP A 548 7.704 -6.319 6.907 1.00 0.00 O ATOM 216 CB ASP A 548 6.851 -9.497 6.483 1.00 0.00 C ATOM 217 CG ASP A 548 7.905 -9.252 5.421 1.00 0.00 C ATOM 218 OD1 ASP A 548 8.175 -8.071 5.116 1.00 0.00 O ATOM 219 OD2 ASP A 548 8.459 -10.240 4.895 1.00 0.00 O ATOM 0 H ASP A 548 5.579 -9.735 8.628 1.00 0.00 H new ATOM 0 HA ASP A 548 7.892 -8.535 8.097 1.00 0.00 H new ATOM 0 HB2 ASP A 548 6.979 -10.499 6.893 1.00 0.00 H new ATOM 0 HB3 ASP A 548 5.863 -9.464 6.024 1.00 0.00 H new ATOM 224 N PHE A 549 5.493 -6.708 6.756 1.00 0.00 N ATOM 225 CA PHE A 549 5.188 -5.390 6.213 1.00 0.00 C ATOM 226 C PHE A 549 5.978 -4.305 6.940 1.00 0.00 C ATOM 227 O PHE A 549 5.948 -4.216 8.168 1.00 0.00 O ATOM 228 CB PHE A 549 3.688 -5.104 6.323 1.00 0.00 C ATOM 229 CG PHE A 549 3.168 -4.206 5.238 1.00 0.00 C ATOM 230 CD1 PHE A 549 2.883 -4.710 3.979 1.00 0.00 C ATOM 231 CD2 PHE A 549 2.963 -2.856 5.476 1.00 0.00 C ATOM 232 CE1 PHE A 549 2.405 -3.885 2.979 1.00 0.00 C ATOM 233 CE2 PHE A 549 2.484 -2.027 4.480 1.00 0.00 C ATOM 234 CZ PHE A 549 2.204 -2.542 3.230 1.00 0.00 C ATOM 0 H PHE A 549 4.681 -7.313 6.877 1.00 0.00 H new ATOM 0 HA PHE A 549 5.477 -5.383 5.162 1.00 0.00 H new ATOM 0 HB2 PHE A 549 3.143 -6.048 6.295 1.00 0.00 H new ATOM 0 HB3 PHE A 549 3.483 -4.647 7.291 1.00 0.00 H new ATOM 0 HD1 PHE A 549 3.036 -5.760 3.777 1.00 0.00 H new ATOM 0 HD2 PHE A 549 3.180 -2.447 6.452 1.00 0.00 H new ATOM 0 HE1 PHE A 549 2.189 -4.290 2.002 1.00 0.00 H new ATOM 0 HE2 PHE A 549 2.329 -0.977 4.679 1.00 0.00 H new ATOM 0 HZ PHE A 549 1.829 -1.896 2.450 1.00 0.00 H new ATOM 244 N THR A 550 6.685 -3.482 6.172 1.00 0.00 N ATOM 245 CA THR A 550 7.485 -2.405 6.741 1.00 0.00 C ATOM 246 C THR A 550 7.064 -1.052 6.180 1.00 0.00 C ATOM 247 O THR A 550 6.550 -0.965 5.065 1.00 0.00 O ATOM 248 CB THR A 550 8.987 -2.616 6.469 1.00 0.00 C ATOM 249 OG1 THR A 550 9.204 -2.845 5.073 1.00 0.00 O ATOM 250 CG2 THR A 550 9.522 -3.793 7.271 1.00 0.00 C ATOM 0 H THR A 550 6.720 -3.541 5.154 1.00 0.00 H new ATOM 0 HA THR A 550 7.313 -2.419 7.817 1.00 0.00 H new ATOM 0 HB THR A 550 9.520 -1.716 6.776 1.00 0.00 H new ATOM 0 HG1 THR A 550 10.161 -2.976 4.908 1.00 0.00 H new ATOM 0 HG21 THR A 550 10.584 -3.923 7.063 1.00 0.00 H new ATOM 0 HG22 THR A 550 9.382 -3.602 8.335 1.00 0.00 H new ATOM 0 HG23 THR A 550 8.984 -4.699 6.991 1.00 0.00 H new ATOM 258 N TRP A 551 7.285 0.001 6.958 1.00 0.00 N ATOM 259 CA TRP A 551 6.929 1.351 6.537 1.00 0.00 C ATOM 260 C TRP A 551 7.213 1.551 5.053 1.00 0.00 C ATOM 261 O TRP A 551 6.392 2.107 4.322 1.00 0.00 O ATOM 262 CB TRP A 551 7.699 2.385 7.361 1.00 0.00 C ATOM 263 CG TRP A 551 9.178 2.354 7.119 1.00 0.00 C ATOM 264 CD1 TRP A 551 10.096 1.566 7.752 1.00 0.00 C ATOM 265 CD2 TRP A 551 9.909 3.148 6.178 1.00 0.00 C ATOM 266 NE1 TRP A 551 11.354 1.822 7.262 1.00 0.00 N ATOM 267 CE2 TRP A 551 11.266 2.788 6.295 1.00 0.00 C ATOM 268 CE3 TRP A 551 9.550 4.126 5.247 1.00 0.00 C ATOM 269 CZ2 TRP A 551 12.261 3.373 5.516 1.00 0.00 C ATOM 270 CZ3 TRP A 551 10.538 4.706 4.475 1.00 0.00 C ATOM 271 CH2 TRP A 551 11.880 4.328 4.613 1.00 0.00 C ATOM 0 H TRP A 551 7.709 -0.054 7.884 1.00 0.00 H new ATOM 0 HA TRP A 551 5.861 1.487 6.705 1.00 0.00 H new ATOM 0 HB2 TRP A 551 7.320 3.380 7.128 1.00 0.00 H new ATOM 0 HB3 TRP A 551 7.507 2.211 8.420 1.00 0.00 H new ATOM 0 HD1 TRP A 551 9.867 0.847 8.525 1.00 0.00 H new ATOM 0 HE1 TRP A 551 12.214 1.367 7.569 1.00 0.00 H new ATOM 0 HE3 TRP A 551 8.518 4.423 5.133 1.00 0.00 H new ATOM 0 HZ2 TRP A 551 13.296 3.083 5.621 1.00 0.00 H new ATOM 0 HZ3 TRP A 551 10.271 5.464 3.753 1.00 0.00 H new ATOM 0 HH2 TRP A 551 12.629 4.800 3.994 1.00 0.00 H new ATOM 282 N LYS A 552 8.380 1.096 4.612 1.00 0.00 N ATOM 283 CA LYS A 552 8.773 1.223 3.213 1.00 0.00 C ATOM 284 C LYS A 552 7.647 0.771 2.289 1.00 0.00 C ATOM 285 O LYS A 552 7.338 1.437 1.301 1.00 0.00 O ATOM 286 CB LYS A 552 10.034 0.400 2.939 1.00 0.00 C ATOM 287 CG LYS A 552 11.324 1.168 3.170 1.00 0.00 C ATOM 288 CD LYS A 552 12.515 0.458 2.549 1.00 0.00 C ATOM 289 CE LYS A 552 13.806 1.226 2.783 1.00 0.00 C ATOM 290 NZ LYS A 552 15.006 0.366 2.590 1.00 0.00 N ATOM 0 H LYS A 552 9.072 0.635 5.203 1.00 0.00 H new ATOM 0 HA LYS A 552 8.983 2.274 3.014 1.00 0.00 H new ATOM 0 HB2 LYS A 552 10.027 -0.483 3.578 1.00 0.00 H new ATOM 0 HB3 LYS A 552 10.011 0.047 1.908 1.00 0.00 H new ATOM 0 HG2 LYS A 552 11.234 2.168 2.746 1.00 0.00 H new ATOM 0 HG3 LYS A 552 11.489 1.289 4.241 1.00 0.00 H new ATOM 0 HD2 LYS A 552 12.604 -0.543 2.972 1.00 0.00 H new ATOM 0 HD3 LYS A 552 12.351 0.338 1.478 1.00 0.00 H new ATOM 0 HE2 LYS A 552 13.853 2.074 2.100 1.00 0.00 H new ATOM 0 HE3 LYS A 552 13.809 1.632 3.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 552 15.866 0.927 2.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 552 14.974 -0.429 3.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 552 15.017 -0.001 1.617 1.00 0.00 H new ATOM 304 N MET A 553 7.038 -0.364 2.617 1.00 0.00 N ATOM 305 CA MET A 553 5.944 -0.903 1.816 1.00 0.00 C ATOM 306 C MET A 553 4.728 0.017 1.869 1.00 0.00 C ATOM 307 O MET A 553 4.287 0.539 0.844 1.00 0.00 O ATOM 308 CB MET A 553 5.564 -2.300 2.309 1.00 0.00 C ATOM 309 CG MET A 553 6.741 -3.259 2.385 1.00 0.00 C ATOM 310 SD MET A 553 7.024 -4.135 0.834 1.00 0.00 S ATOM 311 CE MET A 553 5.657 -5.292 0.844 1.00 0.00 C ATOM 0 H MET A 553 7.283 -0.928 3.431 1.00 0.00 H new ATOM 0 HA MET A 553 6.282 -0.970 0.782 1.00 0.00 H new ATOM 0 HB2 MET A 553 5.109 -2.217 3.296 1.00 0.00 H new ATOM 0 HB3 MET A 553 4.808 -2.718 1.644 1.00 0.00 H new ATOM 0 HG2 MET A 553 7.640 -2.704 2.654 1.00 0.00 H new ATOM 0 HG3 MET A 553 6.564 -3.983 3.180 1.00 0.00 H new ATOM 0 HE1 MET A 553 5.860 -6.101 0.142 1.00 0.00 H new ATOM 0 HE2 MET A 553 5.536 -5.703 1.846 1.00 0.00 H new ATOM 0 HE3 MET A 553 4.742 -4.777 0.550 1.00 0.00 H new ATOM 321 N LEU A 554 4.190 0.210 3.068 1.00 0.00 N ATOM 322 CA LEU A 554 3.024 1.066 3.254 1.00 0.00 C ATOM 323 C LEU A 554 3.087 2.280 2.331 1.00 0.00 C ATOM 324 O LEU A 554 2.068 2.723 1.800 1.00 0.00 O ATOM 325 CB LEU A 554 2.929 1.523 4.710 1.00 0.00 C ATOM 326 CG LEU A 554 1.555 2.011 5.173 1.00 0.00 C ATOM 327 CD1 LEU A 554 0.562 0.860 5.203 1.00 0.00 C ATOM 328 CD2 LEU A 554 1.656 2.668 6.542 1.00 0.00 C ATOM 0 H LEU A 554 4.543 -0.215 3.926 1.00 0.00 H new ATOM 0 HA LEU A 554 2.135 0.487 3.003 1.00 0.00 H new ATOM 0 HB2 LEU A 554 3.233 0.695 5.350 1.00 0.00 H new ATOM 0 HB3 LEU A 554 3.649 2.327 4.865 1.00 0.00 H new ATOM 0 HG LEU A 554 1.196 2.754 4.461 1.00 0.00 H new ATOM 0 HD11 LEU A 554 -0.410 1.226 5.535 1.00 0.00 H new ATOM 0 HD12 LEU A 554 0.468 0.435 4.204 1.00 0.00 H new ATOM 0 HD13 LEU A 554 0.915 0.093 5.892 1.00 0.00 H new ATOM 0 HD21 LEU A 554 0.669 3.009 6.856 1.00 0.00 H new ATOM 0 HD22 LEU A 554 2.037 1.946 7.265 1.00 0.00 H new ATOM 0 HD23 LEU A 554 2.334 3.520 6.488 1.00 0.00 H new ATOM 340 N LYS A 555 4.290 2.812 2.144 1.00 0.00 N ATOM 341 CA LYS A 555 4.488 3.972 1.283 1.00 0.00 C ATOM 342 C LYS A 555 4.603 3.552 -0.179 1.00 0.00 C ATOM 343 O LYS A 555 3.792 3.949 -1.015 1.00 0.00 O ATOM 344 CB LYS A 555 5.744 4.738 1.706 1.00 0.00 C ATOM 345 CG LYS A 555 5.860 6.112 1.070 1.00 0.00 C ATOM 346 CD LYS A 555 7.311 6.543 0.936 1.00 0.00 C ATOM 347 CE LYS A 555 7.453 8.056 1.009 1.00 0.00 C ATOM 348 NZ LYS A 555 8.853 8.468 1.306 1.00 0.00 N ATOM 0 H LYS A 555 5.143 2.458 2.577 1.00 0.00 H new ATOM 0 HA LYS A 555 3.620 4.623 1.388 1.00 0.00 H new ATOM 0 HB2 LYS A 555 5.745 4.847 2.790 1.00 0.00 H new ATOM 0 HB3 LYS A 555 6.624 4.150 1.444 1.00 0.00 H new ATOM 0 HG2 LYS A 555 5.391 6.099 0.086 1.00 0.00 H new ATOM 0 HG3 LYS A 555 5.317 6.840 1.673 1.00 0.00 H new ATOM 0 HD2 LYS A 555 7.903 6.083 1.727 1.00 0.00 H new ATOM 0 HD3 LYS A 555 7.712 6.184 -0.012 1.00 0.00 H new ATOM 0 HE2 LYS A 555 7.138 8.496 0.063 1.00 0.00 H new ATOM 0 HE3 LYS A 555 6.788 8.446 1.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 555 8.908 9.506 1.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 555 9.146 8.069 2.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 555 9.484 8.117 0.557 1.00 0.00 H new ATOM 362 N ASP A 556 5.615 2.745 -0.479 1.00 0.00 N ATOM 363 CA ASP A 556 5.836 2.269 -1.840 1.00 0.00 C ATOM 364 C ASP A 556 4.602 1.542 -2.367 1.00 0.00 C ATOM 365 O ASP A 556 3.986 1.970 -3.343 1.00 0.00 O ATOM 366 CB ASP A 556 7.050 1.340 -1.888 1.00 0.00 C ATOM 367 CG ASP A 556 8.335 2.047 -1.507 1.00 0.00 C ATOM 368 OD1 ASP A 556 8.596 3.139 -2.055 1.00 0.00 O ATOM 369 OD2 ASP A 556 9.082 1.510 -0.662 1.00 0.00 O ATOM 0 H ASP A 556 6.295 2.407 0.202 1.00 0.00 H new ATOM 0 HA ASP A 556 6.026 3.134 -2.475 1.00 0.00 H new ATOM 0 HB2 ASP A 556 6.887 0.499 -1.213 1.00 0.00 H new ATOM 0 HB3 ASP A 556 7.149 0.928 -2.892 1.00 0.00 H new ATOM 374 N LYS A 557 4.248 0.440 -1.715 1.00 0.00 N ATOM 375 CA LYS A 557 3.088 -0.347 -2.117 1.00 0.00 C ATOM 376 C LYS A 557 1.921 0.558 -2.498 1.00 0.00 C ATOM 377 O LYS A 557 1.319 0.398 -3.560 1.00 0.00 O ATOM 378 CB LYS A 557 2.668 -1.289 -0.986 1.00 0.00 C ATOM 379 CG LYS A 557 1.250 -1.815 -1.127 1.00 0.00 C ATOM 380 CD LYS A 557 1.112 -2.730 -2.332 1.00 0.00 C ATOM 381 CE LYS A 557 1.416 -4.176 -1.971 1.00 0.00 C ATOM 382 NZ LYS A 557 1.971 -4.932 -3.128 1.00 0.00 N ATOM 0 H LYS A 557 4.748 0.071 -0.906 1.00 0.00 H new ATOM 0 HA LYS A 557 3.367 -0.938 -2.990 1.00 0.00 H new ATOM 0 HB2 LYS A 557 3.358 -2.132 -0.952 1.00 0.00 H new ATOM 0 HB3 LYS A 557 2.759 -0.764 -0.035 1.00 0.00 H new ATOM 0 HG2 LYS A 557 0.971 -2.357 -0.224 1.00 0.00 H new ATOM 0 HG3 LYS A 557 0.558 -0.978 -1.223 1.00 0.00 H new ATOM 0 HD2 LYS A 557 0.100 -2.658 -2.731 1.00 0.00 H new ATOM 0 HD3 LYS A 557 1.789 -2.400 -3.120 1.00 0.00 H new ATOM 0 HE2 LYS A 557 2.127 -4.202 -1.145 1.00 0.00 H new ATOM 0 HE3 LYS A 557 0.505 -4.663 -1.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 557 2.165 -5.913 -2.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 557 1.282 -4.929 -3.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 557 2.854 -4.483 -3.445 1.00 0.00 H new ATOM 396 N PHE A 558 1.608 1.510 -1.626 1.00 0.00 N ATOM 397 CA PHE A 558 0.513 2.442 -1.872 1.00 0.00 C ATOM 398 C PHE A 558 0.873 3.423 -2.984 1.00 0.00 C ATOM 399 O PHE A 558 0.005 3.887 -3.722 1.00 0.00 O ATOM 400 CB PHE A 558 0.170 3.207 -0.592 1.00 0.00 C ATOM 401 CG PHE A 558 -0.613 2.396 0.400 1.00 0.00 C ATOM 402 CD1 PHE A 558 -0.194 1.124 0.758 1.00 0.00 C ATOM 403 CD2 PHE A 558 -1.766 2.904 0.976 1.00 0.00 C ATOM 404 CE1 PHE A 558 -0.913 0.375 1.670 1.00 0.00 C ATOM 405 CE2 PHE A 558 -2.488 2.160 1.889 1.00 0.00 C ATOM 406 CZ PHE A 558 -2.060 0.894 2.238 1.00 0.00 C ATOM 0 H PHE A 558 2.097 1.657 -0.743 1.00 0.00 H new ATOM 0 HA PHE A 558 -0.357 1.867 -2.188 1.00 0.00 H new ATOM 0 HB2 PHE A 558 1.093 3.547 -0.123 1.00 0.00 H new ATOM 0 HB3 PHE A 558 -0.402 4.098 -0.853 1.00 0.00 H new ATOM 0 HD1 PHE A 558 0.704 0.714 0.320 1.00 0.00 H new ATOM 0 HD2 PHE A 558 -2.105 3.894 0.708 1.00 0.00 H new ATOM 0 HE1 PHE A 558 -0.578 -0.616 1.939 1.00 0.00 H new ATOM 0 HE2 PHE A 558 -3.386 2.568 2.329 1.00 0.00 H new ATOM 0 HZ PHE A 558 -2.621 0.311 2.954 1.00 0.00 H new ATOM 416 N ASN A 559 2.160 3.735 -3.096 1.00 0.00 N ATOM 417 CA ASN A 559 2.636 4.661 -4.117 1.00 0.00 C ATOM 418 C ASN A 559 1.945 4.402 -5.452 1.00 0.00 C ATOM 419 O ASN A 559 1.848 5.293 -6.295 1.00 0.00 O ATOM 420 CB ASN A 559 4.152 4.537 -4.282 1.00 0.00 C ATOM 421 CG ASN A 559 4.769 5.771 -4.912 1.00 0.00 C ATOM 422 OD1 ASN A 559 4.085 6.548 -5.579 1.00 0.00 O ATOM 423 ND2 ASN A 559 6.067 5.956 -4.703 1.00 0.00 N ATOM 0 H ASN A 559 2.892 3.360 -2.492 1.00 0.00 H new ATOM 0 HA ASN A 559 2.394 5.674 -3.794 1.00 0.00 H new ATOM 0 HB2 ASN A 559 4.608 4.364 -3.307 1.00 0.00 H new ATOM 0 HB3 ASN A 559 4.377 3.667 -4.898 1.00 0.00 H new ATOM 0 HD21 ASN A 559 6.537 6.769 -5.102 1.00 0.00 H new ATOM 0 HD22 ASN A 559 6.594 5.286 -4.143 1.00 0.00 H new ATOM 430 N GLU A 560 1.467 3.175 -5.636 1.00 0.00 N ATOM 431 CA GLU A 560 0.785 2.799 -6.869 1.00 0.00 C ATOM 432 C GLU A 560 -0.435 3.683 -7.107 1.00 0.00 C ATOM 433 O GLU A 560 -0.605 4.247 -8.189 1.00 0.00 O ATOM 434 CB GLU A 560 0.362 1.330 -6.816 1.00 0.00 C ATOM 435 CG GLU A 560 1.530 0.358 -6.840 1.00 0.00 C ATOM 436 CD GLU A 560 1.101 -1.076 -6.595 1.00 0.00 C ATOM 437 OE1 GLU A 560 0.727 -1.396 -5.447 1.00 0.00 O ATOM 438 OE2 GLU A 560 1.140 -1.878 -7.551 1.00 0.00 O ATOM 0 H GLU A 560 1.539 2.426 -4.948 1.00 0.00 H new ATOM 0 HA GLU A 560 1.481 2.940 -7.696 1.00 0.00 H new ATOM 0 HB2 GLU A 560 -0.221 1.161 -5.911 1.00 0.00 H new ATOM 0 HB3 GLU A 560 -0.293 1.119 -7.661 1.00 0.00 H new ATOM 0 HG2 GLU A 560 2.032 0.423 -7.805 1.00 0.00 H new ATOM 0 HG3 GLU A 560 2.257 0.650 -6.082 1.00 0.00 H new ATOM 445 N CYS A 561 -1.282 3.799 -6.091 1.00 0.00 N ATOM 446 CA CYS A 561 -2.489 4.613 -6.189 1.00 0.00 C ATOM 447 C CYS A 561 -2.138 6.074 -6.449 1.00 0.00 C ATOM 448 O CYS A 561 -2.701 6.710 -7.339 1.00 0.00 O ATOM 449 CB CYS A 561 -3.315 4.494 -4.908 1.00 0.00 C ATOM 450 SG CYS A 561 -4.853 5.444 -4.931 1.00 0.00 S ATOM 0 H CYS A 561 -1.156 3.340 -5.189 1.00 0.00 H new ATOM 0 HA CYS A 561 -3.080 4.245 -7.028 1.00 0.00 H new ATOM 0 HB2 CYS A 561 -3.552 3.444 -4.737 1.00 0.00 H new ATOM 0 HB3 CYS A 561 -2.708 4.825 -4.065 1.00 0.00 H new ATOM 0 HG CYS A 561 -5.841 4.679 -4.571 1.00 0.00 H new ATOM 456 N GLY A 562 -1.205 6.603 -5.663 1.00 0.00 N ATOM 457 CA GLY A 562 -0.797 7.986 -5.823 1.00 0.00 C ATOM 458 C GLY A 562 0.506 8.292 -5.112 1.00 0.00 C ATOM 459 O GLY A 562 1.208 7.383 -4.668 1.00 0.00 O ATOM 0 H GLY A 562 -0.725 6.098 -4.918 1.00 0.00 H new ATOM 0 HA2 GLY A 562 -0.689 8.209 -6.884 1.00 0.00 H new ATOM 0 HA3 GLY A 562 -1.580 8.639 -5.438 1.00 0.00 H new ATOM 463 N HIS A 563 0.833 9.576 -5.004 1.00 0.00 N ATOM 464 CA HIS A 563 2.062 10.000 -4.343 1.00 0.00 C ATOM 465 C HIS A 563 1.877 10.044 -2.829 1.00 0.00 C ATOM 466 O HIS A 563 1.148 10.887 -2.307 1.00 0.00 O ATOM 467 CB HIS A 563 2.495 11.373 -4.856 1.00 0.00 C ATOM 468 CG HIS A 563 3.630 11.971 -4.083 1.00 0.00 C ATOM 469 ND1 HIS A 563 3.719 12.339 -2.783 1.00 0.00 N flip ATOM 470 CD2 HIS A 563 4.856 12.257 -4.646 1.00 0.00 C flip ATOM 471 CE1 HIS A 563 4.985 12.834 -2.586 1.00 0.00 C flip ATOM 472 NE2 HIS A 563 5.651 12.773 -3.725 1.00 0.00 N flip ATOM 0 H HIS A 563 0.264 10.341 -5.366 1.00 0.00 H new ATOM 0 HA HIS A 563 2.840 9.273 -4.575 1.00 0.00 H new ATOM 0 HB2 HIS A 563 2.786 11.285 -5.903 1.00 0.00 H new ATOM 0 HB3 HIS A 563 1.643 12.051 -4.817 1.00 0.00 H new ATOM 0 HD1 HIS A 563 2.983 12.263 -2.081 1.00 0.00 H new ATOM 0 HD2 HIS A 563 5.124 12.086 -5.678 1.00 0.00 H new ATOM 0 HE1 HIS A 563 5.373 13.212 -1.652 1.00 0.00 H new ATOM 481 N VAL A 564 2.543 9.130 -2.130 1.00 0.00 N ATOM 482 CA VAL A 564 2.452 9.065 -0.676 1.00 0.00 C ATOM 483 C VAL A 564 3.300 10.151 -0.023 1.00 0.00 C ATOM 484 O VAL A 564 4.472 10.326 -0.362 1.00 0.00 O ATOM 485 CB VAL A 564 2.901 7.690 -0.147 1.00 0.00 C ATOM 486 CG1 VAL A 564 2.964 7.698 1.373 1.00 0.00 C ATOM 487 CG2 VAL A 564 1.967 6.597 -0.644 1.00 0.00 C ATOM 0 H VAL A 564 3.151 8.425 -2.547 1.00 0.00 H new ATOM 0 HA VAL A 564 1.405 9.221 -0.417 1.00 0.00 H new ATOM 0 HB VAL A 564 3.901 7.482 -0.528 1.00 0.00 H new ATOM 0 HG11 VAL A 564 3.283 6.718 1.729 1.00 0.00 H new ATOM 0 HG12 VAL A 564 3.676 8.454 1.704 1.00 0.00 H new ATOM 0 HG13 VAL A 564 1.978 7.927 1.777 1.00 0.00 H new ATOM 0 HG21 VAL A 564 2.299 5.632 -0.261 1.00 0.00 H new ATOM 0 HG22 VAL A 564 0.954 6.797 -0.294 1.00 0.00 H new ATOM 0 HG23 VAL A 564 1.977 6.577 -1.734 1.00 0.00 H new ATOM 497 N LEU A 565 2.702 10.877 0.914 1.00 0.00 N ATOM 498 CA LEU A 565 3.403 11.947 1.616 1.00 0.00 C ATOM 499 C LEU A 565 3.882 11.477 2.986 1.00 0.00 C ATOM 500 O LEU A 565 4.981 11.819 3.422 1.00 0.00 O ATOM 501 CB LEU A 565 2.491 13.165 1.772 1.00 0.00 C ATOM 502 CG LEU A 565 2.087 13.871 0.478 1.00 0.00 C ATOM 503 CD1 LEU A 565 1.050 14.947 0.758 1.00 0.00 C ATOM 504 CD2 LEU A 565 3.308 14.470 -0.206 1.00 0.00 C ATOM 0 H LEU A 565 1.734 10.745 1.206 1.00 0.00 H new ATOM 0 HA LEU A 565 4.274 12.227 1.023 1.00 0.00 H new ATOM 0 HB2 LEU A 565 1.584 12.851 2.289 1.00 0.00 H new ATOM 0 HB3 LEU A 565 2.991 13.888 2.416 1.00 0.00 H new ATOM 0 HG LEU A 565 1.644 13.134 -0.192 1.00 0.00 H new ATOM 0 HD11 LEU A 565 0.775 15.439 -0.175 1.00 0.00 H new ATOM 0 HD12 LEU A 565 0.165 14.492 1.203 1.00 0.00 H new ATOM 0 HD13 LEU A 565 1.466 15.683 1.447 1.00 0.00 H new ATOM 0 HD21 LEU A 565 3.002 14.969 -1.126 1.00 0.00 H new ATOM 0 HD22 LEU A 565 3.780 15.193 0.459 1.00 0.00 H new ATOM 0 HD23 LEU A 565 4.018 13.678 -0.442 1.00 0.00 H new ATOM 516 N TYR A 566 3.050 10.689 3.659 1.00 0.00 N ATOM 517 CA TYR A 566 3.388 10.172 4.980 1.00 0.00 C ATOM 518 C TYR A 566 2.953 8.717 5.123 1.00 0.00 C ATOM 519 O TYR A 566 1.850 8.345 4.723 1.00 0.00 O ATOM 520 CB TYR A 566 2.730 11.022 6.068 1.00 0.00 C ATOM 521 CG TYR A 566 2.925 10.476 7.464 1.00 0.00 C ATOM 522 CD1 TYR A 566 4.166 10.529 8.085 1.00 0.00 C ATOM 523 CD2 TYR A 566 1.866 9.908 8.163 1.00 0.00 C ATOM 524 CE1 TYR A 566 4.349 10.031 9.360 1.00 0.00 C ATOM 525 CE2 TYR A 566 2.039 9.408 9.439 1.00 0.00 C ATOM 526 CZ TYR A 566 3.283 9.472 10.033 1.00 0.00 C ATOM 527 OH TYR A 566 3.460 8.975 11.304 1.00 0.00 O ATOM 0 H TYR A 566 2.137 10.395 3.312 1.00 0.00 H new ATOM 0 HA TYR A 566 4.471 10.222 5.095 1.00 0.00 H new ATOM 0 HB2 TYR A 566 3.135 12.033 6.022 1.00 0.00 H new ATOM 0 HB3 TYR A 566 1.662 11.097 5.862 1.00 0.00 H new ATOM 0 HD1 TYR A 566 5.003 10.967 7.562 1.00 0.00 H new ATOM 0 HD2 TYR A 566 0.891 9.857 7.700 1.00 0.00 H new ATOM 0 HE1 TYR A 566 5.321 10.079 9.827 1.00 0.00 H new ATOM 0 HE2 TYR A 566 1.206 8.970 9.968 1.00 0.00 H new ATOM 0 HH TYR A 566 2.610 8.617 11.637 1.00 0.00 H new ATOM 537 N ALA A 567 3.828 7.898 5.697 1.00 0.00 N ATOM 538 CA ALA A 567 3.534 6.484 5.896 1.00 0.00 C ATOM 539 C ALA A 567 4.151 5.973 7.194 1.00 0.00 C ATOM 540 O ALA A 567 5.334 6.189 7.457 1.00 0.00 O ATOM 541 CB ALA A 567 4.036 5.669 4.713 1.00 0.00 C ATOM 0 H ALA A 567 4.746 8.189 6.032 1.00 0.00 H new ATOM 0 HA ALA A 567 2.452 6.369 5.969 1.00 0.00 H new ATOM 0 HB1 ALA A 567 3.810 4.615 4.875 1.00 0.00 H new ATOM 0 HB2 ALA A 567 3.545 6.010 3.802 1.00 0.00 H new ATOM 0 HB3 ALA A 567 5.114 5.798 4.614 1.00 0.00 H new ATOM 547 N ASP A 568 3.342 5.294 8.000 1.00 0.00 N ATOM 548 CA ASP A 568 3.809 4.752 9.271 1.00 0.00 C ATOM 549 C ASP A 568 3.016 3.506 9.654 1.00 0.00 C ATOM 550 O ASP A 568 1.886 3.315 9.203 1.00 0.00 O ATOM 551 CB ASP A 568 3.692 5.805 10.373 1.00 0.00 C ATOM 552 CG ASP A 568 4.946 6.645 10.507 1.00 0.00 C ATOM 553 OD1 ASP A 568 5.191 7.491 9.621 1.00 0.00 O ATOM 554 OD2 ASP A 568 5.684 6.457 11.497 1.00 0.00 O ATOM 0 H ASP A 568 2.360 5.106 7.796 1.00 0.00 H new ATOM 0 HA ASP A 568 4.856 4.473 9.156 1.00 0.00 H new ATOM 0 HB2 ASP A 568 2.843 6.456 10.161 1.00 0.00 H new ATOM 0 HB3 ASP A 568 3.486 5.311 11.323 1.00 0.00 H new ATOM 559 N ILE A 569 3.615 2.662 10.486 1.00 0.00 N ATOM 560 CA ILE A 569 2.965 1.435 10.929 1.00 0.00 C ATOM 561 C ILE A 569 2.735 1.448 12.437 1.00 0.00 C ATOM 562 O ILE A 569 3.623 1.101 13.215 1.00 0.00 O ATOM 563 CB ILE A 569 3.796 0.192 10.559 1.00 0.00 C ATOM 564 CG1 ILE A 569 4.081 0.172 9.056 1.00 0.00 C ATOM 565 CG2 ILE A 569 3.069 -1.076 10.983 1.00 0.00 C ATOM 566 CD1 ILE A 569 2.921 -0.332 8.227 1.00 0.00 C ATOM 0 H ILE A 569 4.550 2.805 10.867 1.00 0.00 H new ATOM 0 HA ILE A 569 2.004 1.385 10.417 1.00 0.00 H new ATOM 0 HB ILE A 569 4.747 0.237 11.090 1.00 0.00 H new ATOM 0 HG12 ILE A 569 4.339 1.180 8.730 1.00 0.00 H new ATOM 0 HG13 ILE A 569 4.951 -0.457 8.868 1.00 0.00 H new ATOM 0 HG21 ILE A 569 3.668 -1.946 10.715 1.00 0.00 H new ATOM 0 HG22 ILE A 569 2.912 -1.062 12.062 1.00 0.00 H new ATOM 0 HG23 ILE A 569 2.105 -1.129 10.477 1.00 0.00 H new ATOM 0 HD11 ILE A 569 3.195 -0.318 7.172 1.00 0.00 H new ATOM 0 HD12 ILE A 569 2.676 -1.351 8.525 1.00 0.00 H new ATOM 0 HD13 ILE A 569 2.055 0.310 8.385 1.00 0.00 H new ATOM 578 N LYS A 570 1.535 1.850 12.843 1.00 0.00 N ATOM 579 CA LYS A 570 1.184 1.906 14.257 1.00 0.00 C ATOM 580 C LYS A 570 1.681 0.664 14.990 1.00 0.00 C ATOM 581 O LYS A 570 1.312 -0.458 14.648 1.00 0.00 O ATOM 582 CB LYS A 570 -0.331 2.038 14.423 1.00 0.00 C ATOM 583 CG LYS A 570 -0.876 3.388 13.989 1.00 0.00 C ATOM 584 CD LYS A 570 -0.373 4.506 14.887 1.00 0.00 C ATOM 585 CE LYS A 570 -0.910 5.859 14.445 1.00 0.00 C ATOM 586 NZ LYS A 570 -0.561 6.937 15.412 1.00 0.00 N ATOM 0 H LYS A 570 0.789 2.142 12.212 1.00 0.00 H new ATOM 0 HA LYS A 570 1.668 2.781 14.692 1.00 0.00 H new ATOM 0 HB2 LYS A 570 -0.821 1.255 13.844 1.00 0.00 H new ATOM 0 HB3 LYS A 570 -0.589 1.871 15.469 1.00 0.00 H new ATOM 0 HG2 LYS A 570 -0.581 3.587 12.959 1.00 0.00 H new ATOM 0 HG3 LYS A 570 -1.966 3.365 14.010 1.00 0.00 H new ATOM 0 HD2 LYS A 570 -0.675 4.312 15.916 1.00 0.00 H new ATOM 0 HD3 LYS A 570 0.717 4.523 14.873 1.00 0.00 H new ATOM 0 HE2 LYS A 570 -0.506 6.107 13.463 1.00 0.00 H new ATOM 0 HE3 LYS A 570 -1.993 5.803 14.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 570 -0.945 7.843 15.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 570 -0.968 6.713 16.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 570 0.473 7.008 15.494 1.00 0.00 H new ATOM 686 N LYS A 577 1.053 -4.114 15.347 1.00 0.00 N ATOM 687 CA LYS A 577 -0.307 -4.634 15.434 1.00 0.00 C ATOM 688 C LYS A 577 -0.960 -4.682 14.057 1.00 0.00 C ATOM 689 O LYS A 577 -2.184 -4.631 13.938 1.00 0.00 O ATOM 690 CB LYS A 577 -1.145 -3.769 16.379 1.00 0.00 C ATOM 691 CG LYS A 577 -0.525 -3.594 17.754 1.00 0.00 C ATOM 692 CD LYS A 577 -0.470 -4.909 18.513 1.00 0.00 C ATOM 693 CE LYS A 577 -1.813 -5.245 19.143 1.00 0.00 C ATOM 694 NZ LYS A 577 -1.948 -4.661 20.506 1.00 0.00 N ATOM 0 HA LYS A 577 -0.258 -5.649 15.828 1.00 0.00 H new ATOM 0 HB2 LYS A 577 -1.290 -2.788 15.927 1.00 0.00 H new ATOM 0 HB3 LYS A 577 -2.132 -4.218 16.489 1.00 0.00 H new ATOM 0 HG2 LYS A 577 0.482 -3.190 17.651 1.00 0.00 H new ATOM 0 HG3 LYS A 577 -1.103 -2.867 18.325 1.00 0.00 H new ATOM 0 HD2 LYS A 577 -0.174 -5.710 17.835 1.00 0.00 H new ATOM 0 HD3 LYS A 577 0.293 -4.851 19.289 1.00 0.00 H new ATOM 0 HE2 LYS A 577 -2.616 -4.872 18.507 1.00 0.00 H new ATOM 0 HE3 LYS A 577 -1.927 -6.328 19.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 577 -2.877 -4.913 20.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 577 -1.197 -5.036 21.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 577 -1.865 -3.626 20.450 1.00 0.00 H new ATOM 708 N GLY A 578 -0.136 -4.781 13.018 1.00 0.00 N ATOM 709 CA GLY A 578 -0.653 -4.835 11.663 1.00 0.00 C ATOM 710 C GLY A 578 -1.605 -3.695 11.360 1.00 0.00 C ATOM 711 O GLY A 578 -2.736 -3.921 10.928 1.00 0.00 O ATOM 0 H GLY A 578 0.880 -4.825 13.091 1.00 0.00 H new ATOM 0 HA2 GLY A 578 0.178 -4.807 10.959 1.00 0.00 H new ATOM 0 HA3 GLY A 578 -1.167 -5.784 11.511 1.00 0.00 H new ATOM 715 N CYS A 579 -1.148 -2.469 11.587 1.00 0.00 N ATOM 716 CA CYS A 579 -1.968 -1.289 11.337 1.00 0.00 C ATOM 717 C CYS A 579 -1.095 -0.064 11.083 1.00 0.00 C ATOM 718 O CYS A 579 -0.069 0.126 11.735 1.00 0.00 O ATOM 719 CB CYS A 579 -2.900 -1.030 12.522 1.00 0.00 C ATOM 720 SG CYS A 579 -2.080 -1.091 14.133 1.00 0.00 S ATOM 0 H CYS A 579 -0.214 -2.266 11.944 1.00 0.00 H new ATOM 0 HA CYS A 579 -2.568 -1.476 10.446 1.00 0.00 H new ATOM 0 HB2 CYS A 579 -3.363 -0.051 12.399 1.00 0.00 H new ATOM 0 HB3 CYS A 579 -3.703 -1.767 12.507 1.00 0.00 H new ATOM 0 HG CYS A 579 -0.804 -0.893 13.978 1.00 0.00 H new ATOM 726 N GLY A 580 -1.510 0.764 10.129 1.00 0.00 N ATOM 727 CA GLY A 580 -0.754 1.960 9.805 1.00 0.00 C ATOM 728 C GLY A 580 -1.612 3.033 9.164 1.00 0.00 C ATOM 729 O GLY A 580 -2.841 2.960 9.203 1.00 0.00 O ATOM 0 H GLY A 580 -2.356 0.628 9.575 1.00 0.00 H new ATOM 0 HA2 GLY A 580 -0.300 2.356 10.713 1.00 0.00 H new ATOM 0 HA3 GLY A 580 0.061 1.699 9.130 1.00 0.00 H new ATOM 733 N VAL A 581 -0.965 4.032 8.574 1.00 0.00 N ATOM 734 CA VAL A 581 -1.676 5.126 7.923 1.00 0.00 C ATOM 735 C VAL A 581 -0.930 5.607 6.684 1.00 0.00 C ATOM 736 O VAL A 581 0.247 5.298 6.496 1.00 0.00 O ATOM 737 CB VAL A 581 -1.878 6.314 8.882 1.00 0.00 C ATOM 738 CG1 VAL A 581 -3.052 6.056 9.813 1.00 0.00 C ATOM 739 CG2 VAL A 581 -0.607 6.580 9.674 1.00 0.00 C ATOM 0 H VAL A 581 0.051 4.107 8.533 1.00 0.00 H new ATOM 0 HA VAL A 581 -2.651 4.738 7.628 1.00 0.00 H new ATOM 0 HB VAL A 581 -2.103 7.202 8.291 1.00 0.00 H new ATOM 0 HG11 VAL A 581 -3.179 6.906 10.483 1.00 0.00 H new ATOM 0 HG12 VAL A 581 -3.959 5.919 9.225 1.00 0.00 H new ATOM 0 HG13 VAL A 581 -2.861 5.157 10.400 1.00 0.00 H new ATOM 0 HG21 VAL A 581 -0.767 7.423 10.347 1.00 0.00 H new ATOM 0 HG22 VAL A 581 -0.349 5.695 10.256 1.00 0.00 H new ATOM 0 HG23 VAL A 581 0.207 6.813 8.988 1.00 0.00 H new ATOM 749 N VAL A 582 -1.621 6.367 5.841 1.00 0.00 N ATOM 750 CA VAL A 582 -1.023 6.893 4.620 1.00 0.00 C ATOM 751 C VAL A 582 -1.765 8.134 4.136 1.00 0.00 C ATOM 752 O VAL A 582 -2.970 8.094 3.886 1.00 0.00 O ATOM 753 CB VAL A 582 -1.021 5.839 3.496 1.00 0.00 C ATOM 754 CG1 VAL A 582 -0.537 6.451 2.191 1.00 0.00 C ATOM 755 CG2 VAL A 582 -0.161 4.647 3.887 1.00 0.00 C ATOM 0 H VAL A 582 -2.596 6.632 5.981 1.00 0.00 H new ATOM 0 HA VAL A 582 0.006 7.158 4.861 1.00 0.00 H new ATOM 0 HB VAL A 582 -2.042 5.489 3.348 1.00 0.00 H new ATOM 0 HG11 VAL A 582 -0.542 5.692 1.409 1.00 0.00 H new ATOM 0 HG12 VAL A 582 -1.198 7.270 1.906 1.00 0.00 H new ATOM 0 HG13 VAL A 582 0.476 6.831 2.321 1.00 0.00 H new ATOM 0 HG21 VAL A 582 -0.170 3.912 3.082 1.00 0.00 H new ATOM 0 HG22 VAL A 582 0.862 4.979 4.063 1.00 0.00 H new ATOM 0 HG23 VAL A 582 -0.558 4.195 4.796 1.00 0.00 H new ATOM 765 N LYS A 583 -1.036 9.238 4.004 1.00 0.00 N ATOM 766 CA LYS A 583 -1.623 10.492 3.547 1.00 0.00 C ATOM 767 C LYS A 583 -1.457 10.654 2.040 1.00 0.00 C ATOM 768 O LYS A 583 -0.657 9.958 1.415 1.00 0.00 O ATOM 769 CB LYS A 583 -0.975 11.675 4.272 1.00 0.00 C ATOM 770 CG LYS A 583 -1.719 12.102 5.525 1.00 0.00 C ATOM 771 CD LYS A 583 -1.186 11.393 6.759 1.00 0.00 C ATOM 772 CE LYS A 583 -1.653 9.947 6.817 1.00 0.00 C ATOM 773 NZ LYS A 583 -1.794 9.465 8.218 1.00 0.00 N ATOM 0 H LYS A 583 -0.038 9.289 4.207 1.00 0.00 H new ATOM 0 HA LYS A 583 -2.688 10.471 3.777 1.00 0.00 H new ATOM 0 HB2 LYS A 583 0.048 11.410 4.540 1.00 0.00 H new ATOM 0 HB3 LYS A 583 -0.917 12.522 3.588 1.00 0.00 H new ATOM 0 HG2 LYS A 583 -1.626 13.180 5.655 1.00 0.00 H new ATOM 0 HG3 LYS A 583 -2.781 11.886 5.410 1.00 0.00 H new ATOM 0 HD2 LYS A 583 -0.096 11.425 6.756 1.00 0.00 H new ATOM 0 HD3 LYS A 583 -1.517 11.920 7.654 1.00 0.00 H new ATOM 0 HE2 LYS A 583 -2.610 9.854 6.303 1.00 0.00 H new ATOM 0 HE3 LYS A 583 -0.942 9.314 6.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 583 -1.038 8.782 8.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 583 -1.723 10.271 8.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 583 -2.719 9.005 8.335 1.00 0.00 H new ATOM 787 N PHE A 584 -2.218 11.576 1.461 1.00 0.00 N ATOM 788 CA PHE A 584 -2.155 11.830 0.026 1.00 0.00 C ATOM 789 C PHE A 584 -2.299 13.319 -0.270 1.00 0.00 C ATOM 790 O PHE A 584 -2.798 14.082 0.557 1.00 0.00 O ATOM 791 CB PHE A 584 -3.251 11.046 -0.700 1.00 0.00 C ATOM 792 CG PHE A 584 -3.039 9.559 -0.678 1.00 0.00 C ATOM 793 CD1 PHE A 584 -2.243 8.945 -1.631 1.00 0.00 C ATOM 794 CD2 PHE A 584 -3.637 8.775 0.296 1.00 0.00 C ATOM 795 CE1 PHE A 584 -2.045 7.577 -1.614 1.00 0.00 C ATOM 796 CE2 PHE A 584 -3.442 7.407 0.318 1.00 0.00 C ATOM 797 CZ PHE A 584 -2.647 6.807 -0.638 1.00 0.00 C ATOM 0 H PHE A 584 -2.886 12.160 1.963 1.00 0.00 H new ATOM 0 HA PHE A 584 -1.181 11.499 -0.334 1.00 0.00 H new ATOM 0 HB2 PHE A 584 -4.214 11.275 -0.243 1.00 0.00 H new ATOM 0 HB3 PHE A 584 -3.302 11.382 -1.736 1.00 0.00 H new ATOM 0 HD1 PHE A 584 -1.771 9.543 -2.397 1.00 0.00 H new ATOM 0 HD2 PHE A 584 -4.262 9.238 1.045 1.00 0.00 H new ATOM 0 HE1 PHE A 584 -1.421 7.111 -2.362 1.00 0.00 H new ATOM 0 HE2 PHE A 584 -3.912 6.807 1.083 1.00 0.00 H new ATOM 0 HZ PHE A 584 -2.496 5.738 -0.623 1.00 0.00 H new ATOM 807 N GLU A 585 -1.857 13.726 -1.456 1.00 0.00 N ATOM 808 CA GLU A 585 -1.935 15.125 -1.861 1.00 0.00 C ATOM 809 C GLU A 585 -3.386 15.559 -2.041 1.00 0.00 C ATOM 810 O GLU A 585 -3.794 16.616 -1.559 1.00 0.00 O ATOM 811 CB GLU A 585 -1.160 15.346 -3.162 1.00 0.00 C ATOM 812 CG GLU A 585 0.345 15.431 -2.966 1.00 0.00 C ATOM 813 CD GLU A 585 0.782 16.755 -2.371 1.00 0.00 C ATOM 814 OE1 GLU A 585 0.012 17.329 -1.572 1.00 0.00 O ATOM 815 OE2 GLU A 585 1.893 17.218 -2.703 1.00 0.00 O ATOM 0 H GLU A 585 -1.442 13.107 -2.153 1.00 0.00 H new ATOM 0 HA GLU A 585 -1.488 15.730 -1.073 1.00 0.00 H new ATOM 0 HB2 GLU A 585 -1.383 14.531 -3.851 1.00 0.00 H new ATOM 0 HB3 GLU A 585 -1.509 16.265 -3.632 1.00 0.00 H new ATOM 0 HG2 GLU A 585 0.669 14.620 -2.314 1.00 0.00 H new ATOM 0 HG3 GLU A 585 0.841 15.287 -3.926 1.00 0.00 H new ATOM 822 N SER A 586 -4.162 14.736 -2.739 1.00 0.00 N ATOM 823 CA SER A 586 -5.567 15.036 -2.987 1.00 0.00 C ATOM 824 C SER A 586 -6.471 14.105 -2.185 1.00 0.00 C ATOM 825 O SER A 586 -6.088 12.998 -1.808 1.00 0.00 O ATOM 826 CB SER A 586 -5.882 14.910 -4.479 1.00 0.00 C ATOM 827 OG SER A 586 -5.537 16.095 -5.175 1.00 0.00 O ATOM 0 H SER A 586 -3.841 13.856 -3.143 1.00 0.00 H new ATOM 0 HA SER A 586 -5.756 16.061 -2.668 1.00 0.00 H new ATOM 0 HB2 SER A 586 -5.336 14.066 -4.899 1.00 0.00 H new ATOM 0 HB3 SER A 586 -6.943 14.702 -4.613 1.00 0.00 H new ATOM 0 HG SER A 586 -5.746 15.988 -6.126 1.00 0.00 H new ATOM 833 N PRO A 587 -7.703 14.564 -1.917 1.00 0.00 N ATOM 834 CA PRO A 587 -8.689 13.789 -1.157 1.00 0.00 C ATOM 835 C PRO A 587 -9.202 12.583 -1.936 1.00 0.00 C ATOM 836 O PRO A 587 -9.538 11.553 -1.351 1.00 0.00 O ATOM 837 CB PRO A 587 -9.820 14.792 -0.918 1.00 0.00 C ATOM 838 CG PRO A 587 -9.697 15.774 -2.031 1.00 0.00 C ATOM 839 CD PRO A 587 -8.228 15.875 -2.335 1.00 0.00 C ATOM 0 HA PRO A 587 -8.266 13.377 -0.241 1.00 0.00 H new ATOM 0 HB2 PRO A 587 -10.793 14.301 -0.929 1.00 0.00 H new ATOM 0 HB3 PRO A 587 -9.719 15.279 0.052 1.00 0.00 H new ATOM 0 HG2 PRO A 587 -10.255 15.443 -2.907 1.00 0.00 H new ATOM 0 HG3 PRO A 587 -10.103 16.743 -1.742 1.00 0.00 H new ATOM 0 HD2 PRO A 587 -8.048 16.061 -3.394 1.00 0.00 H new ATOM 0 HD3 PRO A 587 -7.759 16.690 -1.784 1.00 0.00 H new ATOM 847 N GLU A 588 -9.259 12.717 -3.257 1.00 0.00 N ATOM 848 CA GLU A 588 -9.732 11.636 -4.114 1.00 0.00 C ATOM 849 C GLU A 588 -8.814 10.421 -4.014 1.00 0.00 C ATOM 850 O GLU A 588 -9.278 9.287 -3.891 1.00 0.00 O ATOM 851 CB GLU A 588 -9.815 12.108 -5.567 1.00 0.00 C ATOM 852 CG GLU A 588 -10.073 10.985 -6.558 1.00 0.00 C ATOM 853 CD GLU A 588 -9.603 11.323 -7.959 1.00 0.00 C ATOM 854 OE1 GLU A 588 -8.388 11.204 -8.222 1.00 0.00 O ATOM 855 OE2 GLU A 588 -10.451 11.706 -8.792 1.00 0.00 O ATOM 0 H GLU A 588 -8.984 13.562 -3.757 1.00 0.00 H new ATOM 0 HA GLU A 588 -10.727 11.347 -3.776 1.00 0.00 H new ATOM 0 HB2 GLU A 588 -10.610 12.848 -5.655 1.00 0.00 H new ATOM 0 HB3 GLU A 588 -8.883 12.608 -5.832 1.00 0.00 H new ATOM 0 HG2 GLU A 588 -9.567 10.082 -6.217 1.00 0.00 H new ATOM 0 HG3 GLU A 588 -11.140 10.764 -6.580 1.00 0.00 H new ATOM 862 N VAL A 589 -7.509 10.666 -4.069 1.00 0.00 N ATOM 863 CA VAL A 589 -6.525 9.594 -3.984 1.00 0.00 C ATOM 864 C VAL A 589 -6.655 8.831 -2.670 1.00 0.00 C ATOM 865 O VAL A 589 -6.485 7.613 -2.628 1.00 0.00 O ATOM 866 CB VAL A 589 -5.090 10.137 -4.109 1.00 0.00 C ATOM 867 CG1 VAL A 589 -4.078 9.008 -3.985 1.00 0.00 C ATOM 868 CG2 VAL A 589 -4.914 10.879 -5.426 1.00 0.00 C ATOM 0 H VAL A 589 -7.108 11.598 -4.172 1.00 0.00 H new ATOM 0 HA VAL A 589 -6.723 8.917 -4.815 1.00 0.00 H new ATOM 0 HB VAL A 589 -4.915 10.840 -3.295 1.00 0.00 H new ATOM 0 HG11 VAL A 589 -3.070 9.412 -4.076 1.00 0.00 H new ATOM 0 HG12 VAL A 589 -4.189 8.525 -3.014 1.00 0.00 H new ATOM 0 HG13 VAL A 589 -4.249 8.278 -4.776 1.00 0.00 H new ATOM 0 HG21 VAL A 589 -3.894 11.256 -5.498 1.00 0.00 H new ATOM 0 HG22 VAL A 589 -5.109 10.199 -6.255 1.00 0.00 H new ATOM 0 HG23 VAL A 589 -5.613 11.714 -5.469 1.00 0.00 H new ATOM 878 N ALA A 590 -6.959 9.557 -1.599 1.00 0.00 N ATOM 879 CA ALA A 590 -7.115 8.949 -0.284 1.00 0.00 C ATOM 880 C ALA A 590 -8.254 7.935 -0.279 1.00 0.00 C ATOM 881 O ALA A 590 -8.072 6.785 0.119 1.00 0.00 O ATOM 882 CB ALA A 590 -7.355 10.021 0.769 1.00 0.00 C ATOM 0 H ALA A 590 -7.102 10.567 -1.617 1.00 0.00 H new ATOM 0 HA ALA A 590 -6.192 8.421 -0.044 1.00 0.00 H new ATOM 0 HB1 ALA A 590 -7.470 9.552 1.746 1.00 0.00 H new ATOM 0 HB2 ALA A 590 -6.506 10.705 0.792 1.00 0.00 H new ATOM 0 HB3 ALA A 590 -8.261 10.575 0.524 1.00 0.00 H new ATOM 888 N GLU A 591 -9.429 8.371 -0.723 1.00 0.00 N ATOM 889 CA GLU A 591 -10.598 7.500 -0.768 1.00 0.00 C ATOM 890 C GLU A 591 -10.437 6.428 -1.841 1.00 0.00 C ATOM 891 O GLU A 591 -11.026 5.350 -1.751 1.00 0.00 O ATOM 892 CB GLU A 591 -11.862 8.320 -1.036 1.00 0.00 C ATOM 893 CG GLU A 591 -12.167 8.502 -2.513 1.00 0.00 C ATOM 894 CD GLU A 591 -13.138 9.638 -2.772 1.00 0.00 C ATOM 895 OE1 GLU A 591 -13.057 10.660 -2.059 1.00 0.00 O ATOM 896 OE2 GLU A 591 -13.977 9.505 -3.687 1.00 0.00 O ATOM 0 H GLU A 591 -9.596 9.320 -1.056 1.00 0.00 H new ATOM 0 HA GLU A 591 -10.691 7.009 0.200 1.00 0.00 H new ATOM 0 HB2 GLU A 591 -12.710 7.832 -0.556 1.00 0.00 H new ATOM 0 HB3 GLU A 591 -11.754 9.301 -0.572 1.00 0.00 H new ATOM 0 HG2 GLU A 591 -11.239 8.693 -3.051 1.00 0.00 H new ATOM 0 HG3 GLU A 591 -12.582 7.576 -2.911 1.00 0.00 H new ATOM 903 N ARG A 592 -9.636 6.731 -2.857 1.00 0.00 N ATOM 904 CA ARG A 592 -9.399 5.795 -3.949 1.00 0.00 C ATOM 905 C ARG A 592 -8.578 4.600 -3.473 1.00 0.00 C ATOM 906 O ARG A 592 -8.841 3.461 -3.857 1.00 0.00 O ATOM 907 CB ARG A 592 -8.677 6.496 -5.102 1.00 0.00 C ATOM 908 CG ARG A 592 -8.520 5.627 -6.340 1.00 0.00 C ATOM 909 CD ARG A 592 -7.699 6.328 -7.411 1.00 0.00 C ATOM 910 NE ARG A 592 -8.049 5.872 -8.754 1.00 0.00 N ATOM 911 CZ ARG A 592 -9.192 6.176 -9.358 1.00 0.00 C ATOM 912 NH1 ARG A 592 -10.091 6.931 -8.743 1.00 0.00 N ATOM 913 NH2 ARG A 592 -9.438 5.723 -10.581 1.00 0.00 N ATOM 0 H ARG A 592 -9.140 7.618 -2.947 1.00 0.00 H new ATOM 0 HA ARG A 592 -10.365 5.433 -4.300 1.00 0.00 H new ATOM 0 HB2 ARG A 592 -9.227 7.398 -5.369 1.00 0.00 H new ATOM 0 HB3 ARG A 592 -7.691 6.813 -4.763 1.00 0.00 H new ATOM 0 HG2 ARG A 592 -8.039 4.687 -6.068 1.00 0.00 H new ATOM 0 HG3 ARG A 592 -9.504 5.378 -6.738 1.00 0.00 H new ATOM 0 HD2 ARG A 592 -7.855 7.404 -7.341 1.00 0.00 H new ATOM 0 HD3 ARG A 592 -6.639 6.148 -7.231 1.00 0.00 H new ATOM 0 HE ARG A 592 -7.379 5.288 -9.255 1.00 0.00 H new ATOM 0 HH11 ARG A 592 -9.906 7.281 -7.803 1.00 0.00 H new ATOM 0 HH12 ARG A 592 -10.968 7.163 -9.210 1.00 0.00 H new ATOM 0 HH21 ARG A 592 -8.749 5.141 -11.057 1.00 0.00 H new ATOM 0 HH22 ARG A 592 -10.316 5.957 -11.044 1.00 0.00 H new ATOM 927 N ALA A 593 -7.583 4.870 -2.634 1.00 0.00 N ATOM 928 CA ALA A 593 -6.725 3.817 -2.103 1.00 0.00 C ATOM 929 C ALA A 593 -7.520 2.844 -1.240 1.00 0.00 C ATOM 930 O ALA A 593 -7.200 1.657 -1.169 1.00 0.00 O ATOM 931 CB ALA A 593 -5.581 4.422 -1.304 1.00 0.00 C ATOM 0 H ALA A 593 -7.351 5.808 -2.308 1.00 0.00 H new ATOM 0 HA ALA A 593 -6.311 3.260 -2.944 1.00 0.00 H new ATOM 0 HB1 ALA A 593 -4.948 3.625 -0.913 1.00 0.00 H new ATOM 0 HB2 ALA A 593 -4.990 5.071 -1.950 1.00 0.00 H new ATOM 0 HB3 ALA A 593 -5.984 5.004 -0.475 1.00 0.00 H new ATOM 937 N CYS A 594 -8.557 3.353 -0.584 1.00 0.00 N ATOM 938 CA CYS A 594 -9.397 2.529 0.277 1.00 0.00 C ATOM 939 C CYS A 594 -10.184 1.512 -0.543 1.00 0.00 C ATOM 940 O CYS A 594 -10.633 0.492 -0.021 1.00 0.00 O ATOM 941 CB CYS A 594 -10.357 3.407 1.081 1.00 0.00 C ATOM 942 SG CYS A 594 -9.536 4.578 2.187 1.00 0.00 S ATOM 0 H CYS A 594 -8.836 4.333 -0.632 1.00 0.00 H new ATOM 0 HA CYS A 594 -8.748 1.989 0.966 1.00 0.00 H new ATOM 0 HB2 CYS A 594 -10.992 3.961 0.389 1.00 0.00 H new ATOM 0 HB3 CYS A 594 -11.012 2.765 1.670 1.00 0.00 H new ATOM 0 HG CYS A 594 -8.928 5.486 1.483 1.00 0.00 H new ATOM 948 N ARG A 595 -10.349 1.799 -1.831 1.00 0.00 N ATOM 949 CA ARG A 595 -11.085 0.912 -2.723 1.00 0.00 C ATOM 950 C ARG A 595 -10.141 -0.065 -3.418 1.00 0.00 C ATOM 951 O ARG A 595 -10.456 -1.244 -3.573 1.00 0.00 O ATOM 952 CB ARG A 595 -11.853 1.725 -3.766 1.00 0.00 C ATOM 953 CG ARG A 595 -12.935 2.612 -3.171 1.00 0.00 C ATOM 954 CD ARG A 595 -13.484 3.587 -4.201 1.00 0.00 C ATOM 955 NE ARG A 595 -14.596 3.016 -4.956 1.00 0.00 N ATOM 956 CZ ARG A 595 -14.439 2.253 -6.032 1.00 0.00 C ATOM 957 NH1 ARG A 595 -13.222 1.971 -6.477 1.00 0.00 N ATOM 958 NH2 ARG A 595 -15.500 1.771 -6.666 1.00 0.00 N ATOM 0 H ARG A 595 -9.983 2.639 -2.279 1.00 0.00 H new ATOM 0 HA ARG A 595 -11.794 0.341 -2.123 1.00 0.00 H new ATOM 0 HB2 ARG A 595 -11.149 2.346 -4.320 1.00 0.00 H new ATOM 0 HB3 ARG A 595 -12.308 1.042 -4.483 1.00 0.00 H new ATOM 0 HG2 ARG A 595 -13.745 1.992 -2.787 1.00 0.00 H new ATOM 0 HG3 ARG A 595 -12.529 3.166 -2.325 1.00 0.00 H new ATOM 0 HD2 ARG A 595 -13.815 4.496 -3.699 1.00 0.00 H new ATOM 0 HD3 ARG A 595 -12.688 3.874 -4.889 1.00 0.00 H new ATOM 0 HE ARG A 595 -15.545 3.214 -4.640 1.00 0.00 H new ATOM 0 HH11 ARG A 595 -12.404 2.340 -5.993 1.00 0.00 H new ATOM 0 HH12 ARG A 595 -13.104 1.385 -7.303 1.00 0.00 H new ATOM 0 HH21 ARG A 595 -16.438 1.986 -6.327 1.00 0.00 H new ATOM 0 HH22 ARG A 595 -15.378 1.185 -7.492 1.00 0.00 H new ATOM 972 N MET A 596 -8.982 0.435 -3.835 1.00 0.00 N ATOM 973 CA MET A 596 -7.992 -0.393 -4.513 1.00 0.00 C ATOM 974 C MET A 596 -7.243 -1.271 -3.516 1.00 0.00 C ATOM 975 O MET A 596 -7.165 -2.488 -3.683 1.00 0.00 O ATOM 976 CB MET A 596 -7.002 0.484 -5.283 1.00 0.00 C ATOM 977 CG MET A 596 -7.656 1.346 -6.350 1.00 0.00 C ATOM 978 SD MET A 596 -6.560 1.678 -7.742 1.00 0.00 S ATOM 979 CE MET A 596 -5.149 2.391 -6.900 1.00 0.00 C ATOM 0 H MET A 596 -8.706 1.410 -3.715 1.00 0.00 H new ATOM 0 HA MET A 596 -8.517 -1.039 -5.217 1.00 0.00 H new ATOM 0 HB2 MET A 596 -6.476 1.129 -4.579 1.00 0.00 H new ATOM 0 HB3 MET A 596 -6.253 -0.154 -5.752 1.00 0.00 H new ATOM 0 HG2 MET A 596 -8.556 0.849 -6.712 1.00 0.00 H new ATOM 0 HG3 MET A 596 -7.970 2.291 -5.906 1.00 0.00 H new ATOM 0 HE1 MET A 596 -4.781 3.247 -7.467 1.00 0.00 H new ATOM 0 HE2 MET A 596 -5.446 2.717 -5.903 1.00 0.00 H new ATOM 0 HE3 MET A 596 -4.359 1.644 -6.817 1.00 0.00 H new ATOM 989 N MET A 597 -6.694 -0.646 -2.480 1.00 0.00 N ATOM 990 CA MET A 597 -5.952 -1.372 -1.455 1.00 0.00 C ATOM 991 C MET A 597 -6.856 -2.363 -0.729 1.00 0.00 C ATOM 992 O MET A 597 -6.640 -3.573 -0.788 1.00 0.00 O ATOM 993 CB MET A 597 -5.338 -0.395 -0.452 1.00 0.00 C ATOM 994 CG MET A 597 -4.427 0.641 -1.091 1.00 0.00 C ATOM 995 SD MET A 597 -3.424 -0.045 -2.424 1.00 0.00 S ATOM 996 CE MET A 597 -1.960 -0.546 -1.522 1.00 0.00 C ATOM 0 H MET A 597 -6.749 0.361 -2.328 1.00 0.00 H new ATOM 0 HA MET A 597 -5.153 -1.928 -1.945 1.00 0.00 H new ATOM 0 HB2 MET A 597 -6.139 0.117 0.081 1.00 0.00 H new ATOM 0 HB3 MET A 597 -4.771 -0.957 0.290 1.00 0.00 H new ATOM 0 HG2 MET A 597 -5.032 1.460 -1.481 1.00 0.00 H new ATOM 0 HG3 MET A 597 -3.772 1.063 -0.329 1.00 0.00 H new ATOM 0 HE1 MET A 597 -1.619 -1.513 -1.891 1.00 0.00 H new ATOM 0 HE2 MET A 597 -1.173 0.195 -1.665 1.00 0.00 H new ATOM 0 HE3 MET A 597 -2.196 -0.625 -0.461 1.00 0.00 H new ATOM 1006 N ASN A 598 -7.869 -1.842 -0.045 1.00 0.00 N ATOM 1007 CA ASN A 598 -8.805 -2.682 0.694 1.00 0.00 C ATOM 1008 C ASN A 598 -9.225 -3.890 -0.138 1.00 0.00 C ATOM 1009 O ASN A 598 -9.781 -3.745 -1.226 1.00 0.00 O ATOM 1010 CB ASN A 598 -10.040 -1.873 1.097 1.00 0.00 C ATOM 1011 CG ASN A 598 -10.885 -2.586 2.135 1.00 0.00 C ATOM 1012 OD1 ASN A 598 -10.703 -3.778 2.388 1.00 0.00 O ATOM 1013 ND2 ASN A 598 -11.815 -1.859 2.743 1.00 0.00 N ATOM 0 H ASN A 598 -8.063 -0.842 0.013 1.00 0.00 H new ATOM 0 HA ASN A 598 -8.303 -3.039 1.593 1.00 0.00 H new ATOM 0 HB2 ASN A 598 -9.725 -0.906 1.490 1.00 0.00 H new ATOM 0 HB3 ASN A 598 -10.646 -1.675 0.213 1.00 0.00 H new ATOM 0 HD21 ASN A 598 -12.413 -2.285 3.451 1.00 0.00 H new ATOM 0 HD22 ASN A 598 -11.931 -0.875 2.502 1.00 0.00 H new ATOM 1020 N GLY A 599 -8.955 -5.083 0.383 1.00 0.00 N ATOM 1021 CA GLY A 599 -9.311 -6.299 -0.324 1.00 0.00 C ATOM 1022 C GLY A 599 -8.099 -7.034 -0.861 1.00 0.00 C ATOM 1023 O GLY A 599 -8.232 -8.053 -1.538 1.00 0.00 O ATOM 0 H GLY A 599 -8.496 -5.229 1.282 1.00 0.00 H new ATOM 0 HA2 GLY A 599 -9.863 -6.957 0.347 1.00 0.00 H new ATOM 0 HA3 GLY A 599 -9.978 -6.053 -1.150 1.00 0.00 H new ATOM 1027 N MET A 600 -6.913 -6.515 -0.561 1.00 0.00 N ATOM 1028 CA MET A 600 -5.672 -7.129 -1.020 1.00 0.00 C ATOM 1029 C MET A 600 -5.051 -7.985 0.079 1.00 0.00 C ATOM 1030 O MET A 600 -4.640 -7.473 1.121 1.00 0.00 O ATOM 1031 CB MET A 600 -4.681 -6.053 -1.466 1.00 0.00 C ATOM 1032 CG MET A 600 -4.092 -5.253 -0.315 1.00 0.00 C ATOM 1033 SD MET A 600 -3.227 -3.772 -0.870 1.00 0.00 S ATOM 1034 CE MET A 600 -2.190 -3.434 0.551 1.00 0.00 C ATOM 0 H MET A 600 -6.785 -5.671 -0.002 1.00 0.00 H new ATOM 0 HA MET A 600 -5.905 -7.772 -1.869 1.00 0.00 H new ATOM 0 HB2 MET A 600 -3.871 -6.525 -2.021 1.00 0.00 H new ATOM 0 HB3 MET A 600 -5.183 -5.371 -2.152 1.00 0.00 H new ATOM 0 HG2 MET A 600 -4.890 -4.968 0.370 1.00 0.00 H new ATOM 0 HG3 MET A 600 -3.402 -5.884 0.245 1.00 0.00 H new ATOM 0 HE1 MET A 600 -1.199 -3.128 0.214 1.00 0.00 H new ATOM 0 HE2 MET A 600 -2.634 -2.635 1.144 1.00 0.00 H new ATOM 0 HE3 MET A 600 -2.104 -4.333 1.161 1.00 0.00 H new ATOM 1044 N LYS A 601 -4.985 -9.290 -0.160 1.00 0.00 N ATOM 1045 CA LYS A 601 -4.413 -10.218 0.809 1.00 0.00 C ATOM 1046 C LYS A 601 -2.889 -10.215 0.730 1.00 0.00 C ATOM 1047 O LYS A 601 -2.302 -10.835 -0.158 1.00 0.00 O ATOM 1048 CB LYS A 601 -4.944 -11.632 0.566 1.00 0.00 C ATOM 1049 CG LYS A 601 -6.428 -11.782 0.854 1.00 0.00 C ATOM 1050 CD LYS A 601 -6.788 -13.218 1.196 1.00 0.00 C ATOM 1051 CE LYS A 601 -8.102 -13.297 1.957 1.00 0.00 C ATOM 1052 NZ LYS A 601 -8.751 -14.630 1.807 1.00 0.00 N ATOM 0 H LYS A 601 -5.321 -9.730 -1.017 1.00 0.00 H new ATOM 0 HA LYS A 601 -4.709 -9.892 1.806 1.00 0.00 H new ATOM 0 HB2 LYS A 601 -4.754 -11.909 -0.471 1.00 0.00 H new ATOM 0 HB3 LYS A 601 -4.389 -12.332 1.190 1.00 0.00 H new ATOM 0 HG2 LYS A 601 -6.707 -11.129 1.681 1.00 0.00 H new ATOM 0 HG3 LYS A 601 -7.002 -11.459 -0.014 1.00 0.00 H new ATOM 0 HD2 LYS A 601 -6.861 -13.804 0.280 1.00 0.00 H new ATOM 0 HD3 LYS A 601 -5.992 -13.661 1.795 1.00 0.00 H new ATOM 0 HE2 LYS A 601 -7.922 -13.097 3.013 1.00 0.00 H new ATOM 0 HE3 LYS A 601 -8.778 -12.521 1.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 601 -9.644 -14.643 2.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 601 -8.946 -14.810 0.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 601 -8.117 -15.368 2.174 1.00 0.00 H new ATOM 1066 N LEU A 602 -2.255 -9.516 1.665 1.00 0.00 N ATOM 1067 CA LEU A 602 -0.799 -9.434 1.702 1.00 0.00 C ATOM 1068 C LEU A 602 -0.196 -10.714 2.274 1.00 0.00 C ATOM 1069 O LEU A 602 -0.231 -10.942 3.483 1.00 0.00 O ATOM 1070 CB LEU A 602 -0.357 -8.232 2.538 1.00 0.00 C ATOM 1071 CG LEU A 602 -0.841 -6.864 2.054 1.00 0.00 C ATOM 1072 CD1 LEU A 602 -0.126 -5.750 2.803 1.00 0.00 C ATOM 1073 CD2 LEU A 602 -0.628 -6.723 0.554 1.00 0.00 C ATOM 0 H LEU A 602 -2.726 -8.998 2.407 1.00 0.00 H new ATOM 0 HA LEU A 602 -0.441 -9.310 0.680 1.00 0.00 H new ATOM 0 HB2 LEU A 602 -0.706 -8.378 3.560 1.00 0.00 H new ATOM 0 HB3 LEU A 602 0.732 -8.219 2.572 1.00 0.00 H new ATOM 0 HG LEU A 602 -1.909 -6.784 2.258 1.00 0.00 H new ATOM 0 HD11 LEU A 602 -0.483 -4.784 2.446 1.00 0.00 H new ATOM 0 HD12 LEU A 602 -0.330 -5.840 3.870 1.00 0.00 H new ATOM 0 HD13 LEU A 602 0.948 -5.827 2.631 1.00 0.00 H new ATOM 0 HD21 LEU A 602 -0.978 -5.744 0.227 1.00 0.00 H new ATOM 0 HD22 LEU A 602 0.433 -6.824 0.326 1.00 0.00 H new ATOM 0 HD23 LEU A 602 -1.186 -7.500 0.033 1.00 0.00 H new ATOM 1085 N SER A 603 0.358 -11.544 1.396 1.00 0.00 N ATOM 1086 CA SER A 603 0.967 -12.802 1.813 1.00 0.00 C ATOM 1087 C SER A 603 -0.053 -13.693 2.515 1.00 0.00 C ATOM 1088 O SER A 603 0.303 -14.527 3.347 1.00 0.00 O ATOM 1089 CB SER A 603 2.153 -12.535 2.742 1.00 0.00 C ATOM 1090 OG SER A 603 3.118 -13.569 2.647 1.00 0.00 O ATOM 0 H SER A 603 0.398 -11.368 0.392 1.00 0.00 H new ATOM 0 HA SER A 603 1.322 -13.319 0.921 1.00 0.00 H new ATOM 0 HB2 SER A 603 2.612 -11.580 2.486 1.00 0.00 H new ATOM 0 HB3 SER A 603 1.802 -12.454 3.771 1.00 0.00 H new ATOM 0 HG SER A 603 3.866 -13.374 3.249 1.00 0.00 H new ATOM 1096 N GLY A 604 -1.324 -13.510 2.173 1.00 0.00 N ATOM 1097 CA GLY A 604 -2.377 -14.303 2.779 1.00 0.00 C ATOM 1098 C GLY A 604 -3.051 -13.589 3.934 1.00 0.00 C ATOM 1099 O GLY A 604 -3.758 -14.208 4.729 1.00 0.00 O ATOM 0 H GLY A 604 -1.644 -12.826 1.487 1.00 0.00 H new ATOM 0 HA2 GLY A 604 -3.123 -14.549 2.023 1.00 0.00 H new ATOM 0 HA3 GLY A 604 -1.959 -15.246 3.133 1.00 0.00 H new ATOM 1103 N ARG A 605 -2.831 -12.281 4.027 1.00 0.00 N ATOM 1104 CA ARG A 605 -3.420 -11.482 5.095 1.00 0.00 C ATOM 1105 C ARG A 605 -4.347 -10.413 4.525 1.00 0.00 C ATOM 1106 O ARG A 605 -3.908 -9.516 3.805 1.00 0.00 O ATOM 1107 CB ARG A 605 -2.322 -10.825 5.934 1.00 0.00 C ATOM 1108 CG ARG A 605 -1.565 -11.803 6.819 1.00 0.00 C ATOM 1109 CD ARG A 605 -1.056 -11.130 8.084 1.00 0.00 C ATOM 1110 NE ARG A 605 -0.112 -11.974 8.811 1.00 0.00 N ATOM 1111 CZ ARG A 605 -0.470 -13.052 9.499 1.00 0.00 C ATOM 1112 NH1 ARG A 605 -1.743 -13.416 9.553 1.00 0.00 N ATOM 1113 NH2 ARG A 605 0.448 -13.769 10.135 1.00 0.00 N ATOM 0 H ARG A 605 -2.250 -11.753 3.376 1.00 0.00 H new ATOM 0 HA ARG A 605 -4.006 -12.146 5.731 1.00 0.00 H new ATOM 0 HB2 ARG A 605 -1.616 -10.329 5.269 1.00 0.00 H new ATOM 0 HB3 ARG A 605 -2.768 -10.052 6.560 1.00 0.00 H new ATOM 0 HG2 ARG A 605 -2.217 -12.635 7.085 1.00 0.00 H new ATOM 0 HG3 ARG A 605 -0.725 -12.222 6.265 1.00 0.00 H new ATOM 0 HD2 ARG A 605 -0.574 -10.187 7.824 1.00 0.00 H new ATOM 0 HD3 ARG A 605 -1.900 -10.889 8.731 1.00 0.00 H new ATOM 0 HE ARG A 605 0.876 -11.722 8.789 1.00 0.00 H new ATOM 0 HH11 ARG A 605 -2.451 -12.868 9.065 1.00 0.00 H new ATOM 0 HH12 ARG A 605 -2.015 -14.245 10.082 1.00 0.00 H new ATOM 0 HH21 ARG A 605 1.429 -13.492 10.095 1.00 0.00 H new ATOM 0 HH22 ARG A 605 0.173 -14.597 10.663 1.00 0.00 H new ATOM 1127 N GLU A 606 -5.632 -10.515 4.852 1.00 0.00 N ATOM 1128 CA GLU A 606 -6.621 -9.557 4.371 1.00 0.00 C ATOM 1129 C GLU A 606 -6.572 -8.269 5.188 1.00 0.00 C ATOM 1130 O GLU A 606 -6.423 -8.302 6.410 1.00 0.00 O ATOM 1131 CB GLU A 606 -8.024 -10.163 4.437 1.00 0.00 C ATOM 1132 CG GLU A 606 -8.950 -9.675 3.336 1.00 0.00 C ATOM 1133 CD GLU A 606 -10.405 -9.657 3.762 1.00 0.00 C ATOM 1134 OE1 GLU A 606 -10.933 -10.731 4.119 1.00 0.00 O ATOM 1135 OE2 GLU A 606 -11.016 -8.568 3.740 1.00 0.00 O ATOM 0 H GLU A 606 -6.012 -11.251 5.447 1.00 0.00 H new ATOM 0 HA GLU A 606 -6.385 -9.318 3.334 1.00 0.00 H new ATOM 0 HB2 GLU A 606 -7.945 -11.249 4.379 1.00 0.00 H new ATOM 0 HB3 GLU A 606 -8.467 -9.927 5.404 1.00 0.00 H new ATOM 0 HG2 GLU A 606 -8.651 -8.671 3.034 1.00 0.00 H new ATOM 0 HG3 GLU A 606 -8.839 -10.317 2.462 1.00 0.00 H new ATOM 1142 N ILE A 607 -6.699 -7.137 4.504 1.00 0.00 N ATOM 1143 CA ILE A 607 -6.670 -5.839 5.166 1.00 0.00 C ATOM 1144 C ILE A 607 -7.891 -5.005 4.793 1.00 0.00 C ATOM 1145 O ILE A 607 -8.472 -5.180 3.721 1.00 0.00 O ATOM 1146 CB ILE A 607 -5.396 -5.052 4.806 1.00 0.00 C ATOM 1147 CG1 ILE A 607 -5.104 -5.168 3.309 1.00 0.00 C ATOM 1148 CG2 ILE A 607 -4.215 -5.555 5.623 1.00 0.00 C ATOM 1149 CD1 ILE A 607 -3.830 -4.471 2.886 1.00 0.00 C ATOM 0 H ILE A 607 -6.823 -7.093 3.493 1.00 0.00 H new ATOM 0 HA ILE A 607 -6.678 -6.031 6.239 1.00 0.00 H new ATOM 0 HB ILE A 607 -5.556 -4.001 5.044 1.00 0.00 H new ATOM 0 HG12 ILE A 607 -5.038 -6.222 3.041 1.00 0.00 H new ATOM 0 HG13 ILE A 607 -5.941 -4.749 2.750 1.00 0.00 H new ATOM 0 HG21 ILE A 607 -3.322 -4.989 5.358 1.00 0.00 H new ATOM 0 HG22 ILE A 607 -4.425 -5.425 6.685 1.00 0.00 H new ATOM 0 HG23 ILE A 607 -4.051 -6.612 5.413 1.00 0.00 H new ATOM 0 HD11 ILE A 607 -3.687 -4.595 1.813 1.00 0.00 H new ATOM 0 HD12 ILE A 607 -3.900 -3.409 3.123 1.00 0.00 H new ATOM 0 HD13 ILE A 607 -2.984 -4.906 3.417 1.00 0.00 H new ATOM 1161 N ASP A 608 -8.274 -4.096 5.682 1.00 0.00 N ATOM 1162 CA ASP A 608 -9.425 -3.231 5.446 1.00 0.00 C ATOM 1163 C ASP A 608 -9.006 -1.765 5.416 1.00 0.00 C ATOM 1164 O ASP A 608 -8.845 -1.133 6.460 1.00 0.00 O ATOM 1165 CB ASP A 608 -10.485 -3.450 6.527 1.00 0.00 C ATOM 1166 CG ASP A 608 -11.454 -4.560 6.172 1.00 0.00 C ATOM 1167 OD1 ASP A 608 -12.138 -4.442 5.133 1.00 0.00 O ATOM 1168 OD2 ASP A 608 -11.527 -5.548 6.932 1.00 0.00 O ATOM 0 H ASP A 608 -7.804 -3.938 6.574 1.00 0.00 H new ATOM 0 HA ASP A 608 -9.849 -3.489 4.475 1.00 0.00 H new ATOM 0 HB2 ASP A 608 -9.994 -3.689 7.470 1.00 0.00 H new ATOM 0 HB3 ASP A 608 -11.039 -2.524 6.681 1.00 0.00 H new ATOM 1173 N VAL A 609 -8.830 -1.230 4.212 1.00 0.00 N ATOM 1174 CA VAL A 609 -8.429 0.162 4.045 1.00 0.00 C ATOM 1175 C VAL A 609 -9.646 1.074 3.929 1.00 0.00 C ATOM 1176 O VAL A 609 -10.507 0.871 3.073 1.00 0.00 O ATOM 1177 CB VAL A 609 -7.543 0.346 2.799 1.00 0.00 C ATOM 1178 CG1 VAL A 609 -6.907 1.728 2.795 1.00 0.00 C ATOM 1179 CG2 VAL A 609 -6.480 -0.740 2.737 1.00 0.00 C ATOM 0 H VAL A 609 -8.959 -1.739 3.338 1.00 0.00 H new ATOM 0 HA VAL A 609 -7.857 0.435 4.932 1.00 0.00 H new ATOM 0 HB VAL A 609 -8.170 0.259 1.912 1.00 0.00 H new ATOM 0 HG11 VAL A 609 -6.285 1.840 1.907 1.00 0.00 H new ATOM 0 HG12 VAL A 609 -7.688 2.488 2.788 1.00 0.00 H new ATOM 0 HG13 VAL A 609 -6.292 1.848 3.687 1.00 0.00 H new ATOM 0 HG21 VAL A 609 -5.863 -0.595 1.850 1.00 0.00 H new ATOM 0 HG22 VAL A 609 -5.854 -0.687 3.628 1.00 0.00 H new ATOM 0 HG23 VAL A 609 -6.961 -1.717 2.689 1.00 0.00 H new ATOM 1189 N ARG A 610 -9.710 2.079 4.796 1.00 0.00 N ATOM 1190 CA ARG A 610 -10.822 3.022 4.792 1.00 0.00 C ATOM 1191 C ARG A 610 -10.333 4.440 5.072 1.00 0.00 C ATOM 1192 O ARG A 610 -9.230 4.637 5.583 1.00 0.00 O ATOM 1193 CB ARG A 610 -11.867 2.617 5.833 1.00 0.00 C ATOM 1194 CG ARG A 610 -12.607 1.336 5.485 1.00 0.00 C ATOM 1195 CD ARG A 610 -11.907 0.114 6.060 1.00 0.00 C ATOM 1196 NE ARG A 610 -11.625 0.266 7.485 1.00 0.00 N ATOM 1197 CZ ARG A 610 -12.560 0.227 8.428 1.00 0.00 C ATOM 1198 NH1 ARG A 610 -13.831 0.042 8.098 1.00 0.00 N ATOM 1199 NH2 ARG A 610 -12.224 0.372 9.703 1.00 0.00 N ATOM 0 H ARG A 610 -9.005 2.261 5.510 1.00 0.00 H new ATOM 0 HA ARG A 610 -11.279 3.002 3.802 1.00 0.00 H new ATOM 0 HB2 ARG A 610 -11.377 2.493 6.799 1.00 0.00 H new ATOM 0 HB3 ARG A 610 -12.590 3.426 5.944 1.00 0.00 H new ATOM 0 HG2 ARG A 610 -13.626 1.387 5.869 1.00 0.00 H new ATOM 0 HG3 ARG A 610 -12.679 1.239 4.402 1.00 0.00 H new ATOM 0 HD2 ARG A 610 -12.530 -0.767 5.906 1.00 0.00 H new ATOM 0 HD3 ARG A 610 -10.975 -0.057 5.522 1.00 0.00 H new ATOM 0 HE ARG A 610 -10.657 0.410 7.772 1.00 0.00 H new ATOM 0 HH11 ARG A 610 -14.092 -0.071 7.119 1.00 0.00 H new ATOM 0 HH12 ARG A 610 -14.547 0.012 8.824 1.00 0.00 H new ATOM 0 HH21 ARG A 610 -11.247 0.514 9.960 1.00 0.00 H new ATOM 0 HH22 ARG A 610 -12.943 0.342 10.426 1.00 0.00 H new ATOM 1213 N ILE A 611 -11.160 5.424 4.735 1.00 0.00 N ATOM 1214 CA ILE A 611 -10.812 6.822 4.951 1.00 0.00 C ATOM 1215 C ILE A 611 -10.901 7.189 6.428 1.00 0.00 C ATOM 1216 O ILE A 611 -11.959 7.067 7.046 1.00 0.00 O ATOM 1217 CB ILE A 611 -11.729 7.762 4.144 1.00 0.00 C ATOM 1218 CG1 ILE A 611 -11.456 7.613 2.646 1.00 0.00 C ATOM 1219 CG2 ILE A 611 -11.528 9.204 4.584 1.00 0.00 C ATOM 1220 CD1 ILE A 611 -10.121 8.179 2.216 1.00 0.00 C ATOM 0 H ILE A 611 -12.076 5.278 4.311 1.00 0.00 H new ATOM 0 HA ILE A 611 -9.785 6.948 4.609 1.00 0.00 H new ATOM 0 HB ILE A 611 -12.766 7.486 4.334 1.00 0.00 H new ATOM 0 HG12 ILE A 611 -11.496 6.556 2.381 1.00 0.00 H new ATOM 0 HG13 ILE A 611 -12.249 8.112 2.089 1.00 0.00 H new ATOM 0 HG21 ILE A 611 -12.182 9.856 4.005 1.00 0.00 H new ATOM 0 HG22 ILE A 611 -11.767 9.298 5.643 1.00 0.00 H new ATOM 0 HG23 ILE A 611 -10.490 9.493 4.419 1.00 0.00 H new ATOM 0 HD11 ILE A 611 -9.995 8.038 1.142 1.00 0.00 H new ATOM 0 HD12 ILE A 611 -10.085 9.243 2.449 1.00 0.00 H new ATOM 0 HD13 ILE A 611 -9.320 7.664 2.746 1.00 0.00 H new ATOM 1232 N ASP A 612 -9.784 7.641 6.988 1.00 0.00 N ATOM 1233 CA ASP A 612 -9.736 8.029 8.393 1.00 0.00 C ATOM 1234 C ASP A 612 -9.987 9.525 8.552 1.00 0.00 C ATOM 1235 O ASP A 612 -9.208 10.231 9.193 1.00 0.00 O ATOM 1236 CB ASP A 612 -8.381 7.659 9.000 1.00 0.00 C ATOM 1237 CG ASP A 612 -8.473 7.367 10.484 1.00 0.00 C ATOM 1238 OD1 ASP A 612 -9.365 6.589 10.882 1.00 0.00 O ATOM 1239 OD2 ASP A 612 -7.651 7.916 11.248 1.00 0.00 O ATOM 0 H ASP A 612 -8.900 7.748 6.491 1.00 0.00 H new ATOM 0 HA ASP A 612 -10.522 7.489 8.921 1.00 0.00 H new ATOM 0 HB2 ASP A 612 -7.982 6.785 8.485 1.00 0.00 H new ATOM 0 HB3 ASP A 612 -7.677 8.475 8.836 1.00 0.00 H new