USER MOD reduce.3.24.130724 H: found=0, std=0, add=672, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 673 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 535 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 614 ASN : amide:sc= -1.58! C(o=-1.6!,f=-2.5!) USER MOD Set 2.1: A 561 CYS SG : rot 180:sc= -0.0771 USER MOD Set 2.2: A 596 MET CE :methyl 142:sc= -4.22 (180deg=-5.54!) USER MOD Set 2.3: A 597 MET CE :methyl -136:sc= -5.71! (180deg=-9.22!) USER MOD Set 3.1: A 575 LYS NZ :NH3+ -146:sc=-0.00455 (180deg=-0.789) USER MOD Set 3.2: A 577 LYS NZ :NH3+ -116:sc= -1.31 (180deg=-3.29!) USER MOD Single : A 534 SER OG : rot 180:sc= 0 USER MOD Single : A 537 SER OG : rot 27:sc= 0.697 USER MOD Single : A 538 SER OG : rot 180:sc= 0 USER MOD Single : A 544 ASN : amide:sc= -1.63! K(o=-1.6!,f=-2.1) USER MOD Single : A 550 THR OG1 : rot 180:sc= -0.0466 USER MOD Single : A 552 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 553 MET CE :methyl -127:sc= -0.686 (180deg=-0.949) USER MOD Single : A 555 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 557 LYS NZ :NH3+ -113:sc= 0 (180deg=-0.34) USER MOD Single : A 559 ASN : amide:sc= -0.0888 K(o=-0.089,f=-1.5!) USER MOD Single : A 563 HIS :FLIP no HD1:sc= -0.483 F(o=-1.9,f=-0.48) USER MOD Single : A 566 TYR OH : rot 180:sc= 0 USER MOD Single : A 570 LYS NZ :NH3+ -107:sc= -1.71! (180deg=-4.44!) USER MOD Single : A 571 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 573 ASN : amide:sc= -0.128 K(o=-0.13,f=-1.5!) USER MOD Single : A 576 SER OG : rot 180:sc= 0 USER MOD Single : A 579 CYS SG : rot 180:sc= -1.69 USER MOD Single : A 583 LYS NZ :NH3+ 155:sc=-0.00873 (180deg=-0.555) USER MOD Single : A 586 SER OG : rot 180:sc= 0 USER MOD Single : A 594 CYS SG : rot 70:sc= -1.14 USER MOD Single : A 598 ASN : amide:sc= -2.89 K(o=-2.9,f=-4.7!) USER MOD Single : A 600 MET CE :methyl 177:sc= -7.42! (180deg=-7.68!) 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 Single : A 616 SER OG : rot 44:sc= 0.612 USER MOD Single : A 619 SER OG : rot 180:sc= -0.0652 USER MOD Single : A 620 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 533 -11.561 22.144 0.541 1.00 0.00 N ATOM 2 CA GLY A 533 -11.133 21.119 1.475 1.00 0.00 C ATOM 3 C GLY A 533 -10.997 21.644 2.890 1.00 0.00 C ATOM 4 O GLY A 533 -9.969 22.218 3.251 1.00 0.00 O ATOM 0 HA2 GLY A 533 -11.850 20.298 1.463 1.00 0.00 H new ATOM 0 HA3 GLY A 533 -10.176 20.711 1.149 1.00 0.00 H new ATOM 8 N SER A 534 -12.037 21.450 3.695 1.00 0.00 N ATOM 9 CA SER A 534 -12.031 21.913 5.077 1.00 0.00 C ATOM 10 C SER A 534 -10.739 21.508 5.780 1.00 0.00 C ATOM 11 O SER A 534 -10.037 22.348 6.344 1.00 0.00 O ATOM 12 CB SER A 534 -13.235 21.346 5.832 1.00 0.00 C ATOM 13 OG SER A 534 -13.268 21.817 7.168 1.00 0.00 O ATOM 0 H SER A 534 -12.895 20.975 3.413 1.00 0.00 H new ATOM 0 HA SER A 534 -12.095 23.001 5.070 1.00 0.00 H new ATOM 0 HB2 SER A 534 -14.155 21.629 5.321 1.00 0.00 H new ATOM 0 HB3 SER A 534 -13.190 20.257 5.828 1.00 0.00 H new ATOM 0 HG SER A 534 -14.047 21.441 7.628 1.00 0.00 H new ATOM 19 N SER A 535 -10.433 20.216 5.743 1.00 0.00 N ATOM 20 CA SER A 535 -9.227 19.697 6.380 1.00 0.00 C ATOM 21 C SER A 535 -8.101 19.538 5.363 1.00 0.00 C ATOM 22 O SER A 535 -6.979 19.989 5.587 1.00 0.00 O ATOM 23 CB SER A 535 -9.517 18.354 7.051 1.00 0.00 C ATOM 24 OG SER A 535 -8.478 17.996 7.946 1.00 0.00 O ATOM 0 H SER A 535 -11.003 19.509 5.279 1.00 0.00 H new ATOM 0 HA SER A 535 -8.910 20.413 7.138 1.00 0.00 H new ATOM 0 HB2 SER A 535 -10.463 18.410 7.590 1.00 0.00 H new ATOM 0 HB3 SER A 535 -9.629 17.581 6.291 1.00 0.00 H new ATOM 0 HG SER A 535 -8.688 17.135 8.363 1.00 0.00 H new ATOM 30 N GLY A 536 -8.411 18.893 4.242 1.00 0.00 N ATOM 31 CA GLY A 536 -7.416 18.684 3.207 1.00 0.00 C ATOM 32 C GLY A 536 -7.076 17.220 3.015 1.00 0.00 C ATOM 33 O GLY A 536 -7.967 16.375 2.925 1.00 0.00 O ATOM 0 H GLY A 536 -9.334 18.512 4.033 1.00 0.00 H new ATOM 0 HA2 GLY A 536 -7.783 19.095 2.266 1.00 0.00 H new ATOM 0 HA3 GLY A 536 -6.510 19.233 3.462 1.00 0.00 H new ATOM 37 N SER A 537 -5.783 16.917 2.951 1.00 0.00 N ATOM 38 CA SER A 537 -5.328 15.545 2.763 1.00 0.00 C ATOM 39 C SER A 537 -5.986 14.611 3.774 1.00 0.00 C ATOM 40 O SER A 537 -5.737 14.703 4.976 1.00 0.00 O ATOM 41 CB SER A 537 -3.806 15.467 2.897 1.00 0.00 C ATOM 42 OG SER A 537 -3.385 15.881 4.186 1.00 0.00 O ATOM 0 H SER A 537 -5.032 17.604 3.027 1.00 0.00 H new ATOM 0 HA SER A 537 -5.615 15.228 1.760 1.00 0.00 H new ATOM 0 HB2 SER A 537 -3.474 14.445 2.713 1.00 0.00 H new ATOM 0 HB3 SER A 537 -3.338 16.096 2.139 1.00 0.00 H new ATOM 0 HG SER A 537 -4.106 15.727 4.831 1.00 0.00 H new ATOM 48 N SER A 538 -6.829 13.711 3.277 1.00 0.00 N ATOM 49 CA SER A 538 -7.528 12.762 4.135 1.00 0.00 C ATOM 50 C SER A 538 -6.735 11.465 4.268 1.00 0.00 C ATOM 51 O SER A 538 -6.796 10.595 3.400 1.00 0.00 O ATOM 52 CB SER A 538 -8.921 12.466 3.577 1.00 0.00 C ATOM 53 OG SER A 538 -9.718 13.638 3.548 1.00 0.00 O ATOM 0 H SER A 538 -7.044 13.619 2.284 1.00 0.00 H new ATOM 0 HA SER A 538 -7.629 13.210 5.124 1.00 0.00 H new ATOM 0 HB2 SER A 538 -8.834 12.057 2.571 1.00 0.00 H new ATOM 0 HB3 SER A 538 -9.408 11.706 4.189 1.00 0.00 H new ATOM 0 HG SER A 538 -10.603 13.423 3.186 1.00 0.00 H new ATOM 59 N GLY A 539 -5.992 11.343 5.364 1.00 0.00 N ATOM 60 CA GLY A 539 -5.197 10.150 5.592 1.00 0.00 C ATOM 61 C GLY A 539 -6.050 8.936 5.904 1.00 0.00 C ATOM 62 O GLY A 539 -6.858 8.959 6.833 1.00 0.00 O ATOM 0 H GLY A 539 -5.926 12.049 6.098 1.00 0.00 H new ATOM 0 HA2 GLY A 539 -4.591 9.947 4.709 1.00 0.00 H new ATOM 0 HA3 GLY A 539 -4.508 10.328 6.418 1.00 0.00 H new ATOM 66 N ILE A 540 -5.873 7.874 5.125 1.00 0.00 N ATOM 67 CA ILE A 540 -6.633 6.647 5.323 1.00 0.00 C ATOM 68 C ILE A 540 -6.077 5.837 6.490 1.00 0.00 C ATOM 69 O ILE A 540 -5.166 6.281 7.189 1.00 0.00 O ATOM 70 CB ILE A 540 -6.628 5.770 4.056 1.00 0.00 C ATOM 71 CG1 ILE A 540 -5.260 5.111 3.872 1.00 0.00 C ATOM 72 CG2 ILE A 540 -6.989 6.603 2.835 1.00 0.00 C ATOM 73 CD1 ILE A 540 -5.246 4.036 2.807 1.00 0.00 C ATOM 0 H ILE A 540 -5.210 7.839 4.351 1.00 0.00 H new ATOM 0 HA ILE A 540 -7.658 6.944 5.546 1.00 0.00 H new ATOM 0 HB ILE A 540 -7.376 4.986 4.171 1.00 0.00 H new ATOM 0 HG12 ILE A 540 -4.529 5.877 3.614 1.00 0.00 H new ATOM 0 HG13 ILE A 540 -4.945 4.676 4.820 1.00 0.00 H new ATOM 0 HG21 ILE A 540 -6.981 5.970 1.948 1.00 0.00 H new ATOM 0 HG22 ILE A 540 -7.983 7.031 2.967 1.00 0.00 H new ATOM 0 HG23 ILE A 540 -6.262 7.406 2.714 1.00 0.00 H new ATOM 0 HD11 ILE A 540 -4.245 3.612 2.731 1.00 0.00 H new ATOM 0 HD12 ILE A 540 -5.953 3.250 3.074 1.00 0.00 H new ATOM 0 HD13 ILE A 540 -5.530 4.470 1.848 1.00 0.00 H new ATOM 85 N PHE A 541 -6.630 4.646 6.693 1.00 0.00 N ATOM 86 CA PHE A 541 -6.189 3.773 7.775 1.00 0.00 C ATOM 87 C PHE A 541 -6.283 2.307 7.363 1.00 0.00 C ATOM 88 O PHE A 541 -7.229 1.899 6.689 1.00 0.00 O ATOM 89 CB PHE A 541 -7.028 4.017 9.030 1.00 0.00 C ATOM 90 CG PHE A 541 -6.288 3.745 10.309 1.00 0.00 C ATOM 91 CD1 PHE A 541 -6.093 2.445 10.748 1.00 0.00 C ATOM 92 CD2 PHE A 541 -5.789 4.788 11.071 1.00 0.00 C ATOM 93 CE1 PHE A 541 -5.412 2.191 11.924 1.00 0.00 C ATOM 94 CE2 PHE A 541 -5.107 4.540 12.248 1.00 0.00 C ATOM 95 CZ PHE A 541 -4.920 3.240 12.675 1.00 0.00 C ATOM 0 H PHE A 541 -7.384 4.263 6.123 1.00 0.00 H new ATOM 0 HA PHE A 541 -5.147 4.005 7.993 1.00 0.00 H new ATOM 0 HB2 PHE A 541 -7.372 5.051 9.032 1.00 0.00 H new ATOM 0 HB3 PHE A 541 -7.916 3.386 8.992 1.00 0.00 H new ATOM 0 HD1 PHE A 541 -6.477 1.621 10.165 1.00 0.00 H new ATOM 0 HD2 PHE A 541 -5.934 5.806 10.742 1.00 0.00 H new ATOM 0 HE1 PHE A 541 -5.265 1.173 12.255 1.00 0.00 H new ATOM 0 HE2 PHE A 541 -4.721 5.362 12.833 1.00 0.00 H new ATOM 0 HZ PHE A 541 -4.390 3.044 13.595 1.00 0.00 H new ATOM 105 N VAL A 542 -5.295 1.518 7.774 1.00 0.00 N ATOM 106 CA VAL A 542 -5.265 0.097 7.449 1.00 0.00 C ATOM 107 C VAL A 542 -5.173 -0.753 8.711 1.00 0.00 C ATOM 108 O VAL A 542 -4.745 -0.277 9.763 1.00 0.00 O ATOM 109 CB VAL A 542 -4.080 -0.243 6.526 1.00 0.00 C ATOM 110 CG1 VAL A 542 -4.281 -1.605 5.879 1.00 0.00 C ATOM 111 CG2 VAL A 542 -3.901 0.837 5.470 1.00 0.00 C ATOM 0 H VAL A 542 -4.505 1.839 8.333 1.00 0.00 H new ATOM 0 HA VAL A 542 -6.196 -0.129 6.929 1.00 0.00 H new ATOM 0 HB VAL A 542 -3.172 -0.284 7.128 1.00 0.00 H new ATOM 0 HG11 VAL A 542 -3.434 -1.828 5.230 1.00 0.00 H new ATOM 0 HG12 VAL A 542 -4.356 -2.368 6.654 1.00 0.00 H new ATOM 0 HG13 VAL A 542 -5.197 -1.596 5.289 1.00 0.00 H new ATOM 0 HG21 VAL A 542 -3.059 0.581 4.826 1.00 0.00 H new ATOM 0 HG22 VAL A 542 -4.807 0.912 4.869 1.00 0.00 H new ATOM 0 HG23 VAL A 542 -3.708 1.793 5.956 1.00 0.00 H new ATOM 121 N ARG A 543 -5.576 -2.014 8.599 1.00 0.00 N ATOM 122 CA ARG A 543 -5.539 -2.932 9.731 1.00 0.00 C ATOM 123 C ARG A 543 -5.397 -4.375 9.257 1.00 0.00 C ATOM 124 O ARG A 543 -5.765 -4.708 8.132 1.00 0.00 O ATOM 125 CB ARG A 543 -6.806 -2.783 10.576 1.00 0.00 C ATOM 126 CG ARG A 543 -6.711 -1.691 11.629 1.00 0.00 C ATOM 127 CD ARG A 543 -7.700 -1.922 12.761 1.00 0.00 C ATOM 128 NE ARG A 543 -7.506 -3.220 13.402 1.00 0.00 N ATOM 129 CZ ARG A 543 -8.280 -3.680 14.378 1.00 0.00 C ATOM 130 NH1 ARG A 543 -9.294 -2.952 14.824 1.00 0.00 N ATOM 131 NH2 ARG A 543 -8.040 -4.872 14.911 1.00 0.00 N ATOM 0 H ARG A 543 -5.932 -2.424 7.735 1.00 0.00 H new ATOM 0 HA ARG A 543 -4.671 -2.682 10.342 1.00 0.00 H new ATOM 0 HB2 ARG A 543 -7.648 -2.569 9.918 1.00 0.00 H new ATOM 0 HB3 ARG A 543 -7.018 -3.732 11.067 1.00 0.00 H new ATOM 0 HG2 ARG A 543 -5.698 -1.658 12.030 1.00 0.00 H new ATOM 0 HG3 ARG A 543 -6.903 -0.722 11.168 1.00 0.00 H new ATOM 0 HD2 ARG A 543 -7.592 -1.131 13.504 1.00 0.00 H new ATOM 0 HD3 ARG A 543 -8.717 -1.858 12.373 1.00 0.00 H new ATOM 0 HE ARG A 543 -6.734 -3.805 13.083 1.00 0.00 H new ATOM 0 HH11 ARG A 543 -9.482 -2.036 14.417 1.00 0.00 H new ATOM 0 HH12 ARG A 543 -9.887 -3.308 15.574 1.00 0.00 H new ATOM 0 HH21 ARG A 543 -7.261 -5.435 14.571 1.00 0.00 H new ATOM 0 HH22 ARG A 543 -8.635 -5.225 15.661 1.00 0.00 H new ATOM 145 N ASN A 544 -4.860 -5.227 10.125 1.00 0.00 N ATOM 146 CA ASN A 544 -4.669 -6.635 9.794 1.00 0.00 C ATOM 147 C ASN A 544 -3.530 -6.809 8.793 1.00 0.00 C ATOM 148 O ASN A 544 -3.610 -7.635 7.884 1.00 0.00 O ATOM 149 CB ASN A 544 -5.959 -7.227 9.224 1.00 0.00 C ATOM 150 CG ASN A 544 -5.994 -8.740 9.322 1.00 0.00 C ATOM 151 OD1 ASN A 544 -6.603 -9.300 10.233 1.00 0.00 O ATOM 152 ND2 ASN A 544 -5.338 -9.408 8.380 1.00 0.00 N ATOM 0 H ASN A 544 -4.550 -4.968 11.061 1.00 0.00 H new ATOM 0 HA ASN A 544 -4.408 -7.165 10.710 1.00 0.00 H new ATOM 0 HB2 ASN A 544 -6.813 -6.811 9.758 1.00 0.00 H new ATOM 0 HB3 ASN A 544 -6.061 -6.931 8.180 1.00 0.00 H new ATOM 0 HD21 ASN A 544 -5.325 -10.428 8.393 1.00 0.00 H new ATOM 0 HD22 ASN A 544 -4.847 -8.901 7.644 1.00 0.00 H new ATOM 159 N LEU A 545 -2.472 -6.025 8.968 1.00 0.00 N ATOM 160 CA LEU A 545 -1.316 -6.092 8.080 1.00 0.00 C ATOM 161 C LEU A 545 -0.276 -7.071 8.614 1.00 0.00 C ATOM 162 O LEU A 545 -0.114 -7.246 9.822 1.00 0.00 O ATOM 163 CB LEU A 545 -0.691 -4.705 7.919 1.00 0.00 C ATOM 164 CG LEU A 545 -1.502 -3.694 7.106 1.00 0.00 C ATOM 165 CD1 LEU A 545 -1.047 -2.276 7.413 1.00 0.00 C ATOM 166 CD2 LEU A 545 -1.378 -3.986 5.618 1.00 0.00 C ATOM 0 H LEU A 545 -2.390 -5.336 9.716 1.00 0.00 H new ATOM 0 HA LEU A 545 -1.656 -6.446 7.107 1.00 0.00 H new ATOM 0 HB2 LEU A 545 -0.519 -4.289 8.911 1.00 0.00 H new ATOM 0 HB3 LEU A 545 0.285 -4.821 7.448 1.00 0.00 H new ATOM 0 HG LEU A 545 -2.551 -3.786 7.388 1.00 0.00 H new ATOM 0 HD11 LEU A 545 -1.635 -1.570 6.826 1.00 0.00 H new ATOM 0 HD12 LEU A 545 -1.187 -2.071 8.474 1.00 0.00 H new ATOM 0 HD13 LEU A 545 0.008 -2.169 7.159 1.00 0.00 H new ATOM 0 HD21 LEU A 545 -1.961 -3.258 5.054 1.00 0.00 H new ATOM 0 HD22 LEU A 545 -0.331 -3.922 5.321 1.00 0.00 H new ATOM 0 HD23 LEU A 545 -1.753 -4.989 5.411 1.00 0.00 H new ATOM 178 N PRO A 546 0.448 -7.726 7.694 1.00 0.00 N ATOM 179 CA PRO A 546 1.487 -8.697 8.049 1.00 0.00 C ATOM 180 C PRO A 546 2.707 -8.036 8.681 1.00 0.00 C ATOM 181 O PRO A 546 3.060 -6.906 8.340 1.00 0.00 O ATOM 182 CB PRO A 546 1.858 -9.327 6.703 1.00 0.00 C ATOM 183 CG PRO A 546 1.508 -8.291 5.691 1.00 0.00 C ATOM 184 CD PRO A 546 0.309 -7.567 6.237 1.00 0.00 C ATOM 0 HA PRO A 546 1.137 -9.415 8.790 1.00 0.00 H new ATOM 0 HB2 PRO A 546 2.918 -9.578 6.662 1.00 0.00 H new ATOM 0 HB3 PRO A 546 1.305 -10.250 6.532 1.00 0.00 H new ATOM 0 HG2 PRO A 546 2.339 -7.604 5.532 1.00 0.00 H new ATOM 0 HG3 PRO A 546 1.283 -8.747 4.727 1.00 0.00 H new ATOM 0 HD2 PRO A 546 0.307 -6.517 5.946 1.00 0.00 H new ATOM 0 HD3 PRO A 546 -0.622 -8.000 5.873 1.00 0.00 H new ATOM 192 N PHE A 547 3.348 -8.746 9.603 1.00 0.00 N ATOM 193 CA PHE A 547 4.529 -8.227 10.284 1.00 0.00 C ATOM 194 C PHE A 547 5.579 -7.768 9.277 1.00 0.00 C ATOM 195 O PHE A 547 5.942 -6.592 9.235 1.00 0.00 O ATOM 196 CB PHE A 547 5.122 -9.295 11.206 1.00 0.00 C ATOM 197 CG PHE A 547 4.138 -9.846 12.197 1.00 0.00 C ATOM 198 CD1 PHE A 547 3.483 -9.005 13.083 1.00 0.00 C ATOM 199 CD2 PHE A 547 3.867 -11.204 12.243 1.00 0.00 C ATOM 200 CE1 PHE A 547 2.576 -9.509 13.996 1.00 0.00 C ATOM 201 CE2 PHE A 547 2.961 -11.713 13.154 1.00 0.00 C ATOM 202 CZ PHE A 547 2.315 -10.865 14.032 1.00 0.00 C ATOM 0 H PHE A 547 3.070 -9.683 9.896 1.00 0.00 H new ATOM 0 HA PHE A 547 4.225 -7.368 10.882 1.00 0.00 H new ATOM 0 HB2 PHE A 547 5.510 -10.113 10.599 1.00 0.00 H new ATOM 0 HB3 PHE A 547 5.968 -8.869 11.745 1.00 0.00 H new ATOM 0 HD1 PHE A 547 3.684 -7.944 13.060 1.00 0.00 H new ATOM 0 HD2 PHE A 547 4.369 -11.872 11.559 1.00 0.00 H new ATOM 0 HE1 PHE A 547 2.072 -8.843 14.681 1.00 0.00 H new ATOM 0 HE2 PHE A 547 2.758 -12.773 13.179 1.00 0.00 H new ATOM 0 HZ PHE A 547 1.607 -11.261 14.745 1.00 0.00 H new ATOM 212 N ASP A 548 6.063 -8.703 8.467 1.00 0.00 N ATOM 213 CA ASP A 548 7.071 -8.396 7.460 1.00 0.00 C ATOM 214 C ASP A 548 6.844 -7.007 6.870 1.00 0.00 C ATOM 215 O ASP A 548 7.791 -6.327 6.475 1.00 0.00 O ATOM 216 CB ASP A 548 7.049 -9.446 6.348 1.00 0.00 C ATOM 217 CG ASP A 548 7.665 -8.938 5.059 1.00 0.00 C ATOM 218 OD1 ASP A 548 8.900 -8.757 5.023 1.00 0.00 O ATOM 219 OD2 ASP A 548 6.912 -8.722 4.087 1.00 0.00 O ATOM 0 H ASP A 548 5.773 -9.681 8.488 1.00 0.00 H new ATOM 0 HA ASP A 548 8.048 -8.411 7.943 1.00 0.00 H new ATOM 0 HB2 ASP A 548 7.588 -10.333 6.680 1.00 0.00 H new ATOM 0 HB3 ASP A 548 6.019 -9.750 6.160 1.00 0.00 H new ATOM 224 N PHE A 549 5.582 -6.594 6.812 1.00 0.00 N ATOM 225 CA PHE A 549 5.230 -5.287 6.268 1.00 0.00 C ATOM 226 C PHE A 549 5.993 -4.177 6.984 1.00 0.00 C ATOM 227 O PHE A 549 5.842 -3.981 8.191 1.00 0.00 O ATOM 228 CB PHE A 549 3.724 -5.049 6.392 1.00 0.00 C ATOM 229 CG PHE A 549 3.164 -4.174 5.307 1.00 0.00 C ATOM 230 CD1 PHE A 549 2.953 -4.677 4.033 1.00 0.00 C ATOM 231 CD2 PHE A 549 2.850 -2.849 5.560 1.00 0.00 C ATOM 232 CE1 PHE A 549 2.439 -3.874 3.033 1.00 0.00 C ATOM 233 CE2 PHE A 549 2.335 -2.041 4.564 1.00 0.00 C ATOM 234 CZ PHE A 549 2.128 -2.555 3.299 1.00 0.00 C ATOM 0 H PHE A 549 4.787 -7.145 7.135 1.00 0.00 H new ATOM 0 HA PHE A 549 5.507 -5.273 5.214 1.00 0.00 H new ATOM 0 HB2 PHE A 549 3.210 -6.010 6.374 1.00 0.00 H new ATOM 0 HB3 PHE A 549 3.515 -4.593 7.360 1.00 0.00 H new ATOM 0 HD1 PHE A 549 3.193 -5.708 3.819 1.00 0.00 H new ATOM 0 HD2 PHE A 549 3.010 -2.442 6.548 1.00 0.00 H new ATOM 0 HE1 PHE A 549 2.281 -4.278 2.044 1.00 0.00 H new ATOM 0 HE2 PHE A 549 2.095 -1.009 4.775 1.00 0.00 H new ATOM 0 HZ PHE A 549 1.724 -1.927 2.519 1.00 0.00 H new ATOM 244 N THR A 550 6.815 -3.451 6.232 1.00 0.00 N ATOM 245 CA THR A 550 7.603 -2.361 6.794 1.00 0.00 C ATOM 246 C THR A 550 7.107 -1.010 6.292 1.00 0.00 C ATOM 247 O THR A 550 6.500 -0.917 5.226 1.00 0.00 O ATOM 248 CB THR A 550 9.096 -2.510 6.445 1.00 0.00 C ATOM 249 OG1 THR A 550 9.245 -2.829 5.057 1.00 0.00 O ATOM 250 CG2 THR A 550 9.744 -3.594 7.292 1.00 0.00 C ATOM 0 H THR A 550 6.952 -3.598 5.232 1.00 0.00 H new ATOM 0 HA THR A 550 7.484 -2.409 7.876 1.00 0.00 H new ATOM 0 HB THR A 550 9.592 -1.562 6.655 1.00 0.00 H new ATOM 0 HG1 THR A 550 10.197 -2.920 4.843 1.00 0.00 H new ATOM 0 HG21 THR A 550 10.798 -3.681 7.028 1.00 0.00 H new ATOM 0 HG22 THR A 550 9.655 -3.334 8.347 1.00 0.00 H new ATOM 0 HG23 THR A 550 9.245 -4.546 7.110 1.00 0.00 H new ATOM 258 N TRP A 551 7.372 0.036 7.067 1.00 0.00 N ATOM 259 CA TRP A 551 6.953 1.384 6.700 1.00 0.00 C ATOM 260 C TRP A 551 7.221 1.655 5.224 1.00 0.00 C ATOM 261 O TRP A 551 6.374 2.202 4.519 1.00 0.00 O ATOM 262 CB TRP A 551 7.679 2.418 7.562 1.00 0.00 C ATOM 263 CG TRP A 551 9.163 2.430 7.351 1.00 0.00 C ATOM 264 CD1 TRP A 551 10.089 1.664 8.001 1.00 0.00 C ATOM 265 CD2 TRP A 551 9.891 3.249 6.430 1.00 0.00 C ATOM 266 NE1 TRP A 551 11.349 1.958 7.538 1.00 0.00 N ATOM 267 CE2 TRP A 551 11.255 2.926 6.574 1.00 0.00 C ATOM 268 CE3 TRP A 551 9.524 4.221 5.496 1.00 0.00 C ATOM 269 CZ2 TRP A 551 12.249 3.542 5.819 1.00 0.00 C ATOM 270 CZ3 TRP A 551 10.513 4.832 4.748 1.00 0.00 C ATOM 271 CH2 TRP A 551 11.862 4.491 4.912 1.00 0.00 C ATOM 0 H TRP A 551 7.875 -0.023 7.953 1.00 0.00 H new ATOM 0 HA TRP A 551 5.880 1.465 6.875 1.00 0.00 H new ATOM 0 HB2 TRP A 551 7.280 3.408 7.342 1.00 0.00 H new ATOM 0 HB3 TRP A 551 7.470 2.216 8.613 1.00 0.00 H new ATOM 0 HD1 TRP A 551 9.864 0.935 8.766 1.00 0.00 H new ATOM 0 HE1 TRP A 551 12.214 1.525 7.860 1.00 0.00 H new ATOM 0 HE3 TRP A 551 8.487 4.490 5.361 1.00 0.00 H new ATOM 0 HZ2 TRP A 551 13.289 3.280 5.945 1.00 0.00 H new ATOM 0 HZ3 TRP A 551 10.241 5.586 4.024 1.00 0.00 H new ATOM 0 HH2 TRP A 551 12.611 4.986 4.311 1.00 0.00 H new ATOM 282 N LYS A 552 8.406 1.269 4.762 1.00 0.00 N ATOM 283 CA LYS A 552 8.786 1.468 3.369 1.00 0.00 C ATOM 284 C LYS A 552 7.700 0.955 2.429 1.00 0.00 C ATOM 285 O LYS A 552 7.308 1.641 1.486 1.00 0.00 O ATOM 286 CB LYS A 552 10.109 0.758 3.073 1.00 0.00 C ATOM 287 CG LYS A 552 11.333 1.625 3.314 1.00 0.00 C ATOM 288 CD LYS A 552 12.581 0.783 3.522 1.00 0.00 C ATOM 289 CE LYS A 552 13.244 0.434 2.198 1.00 0.00 C ATOM 290 NZ LYS A 552 14.606 -0.136 2.394 1.00 0.00 N ATOM 0 H LYS A 552 9.120 0.816 5.333 1.00 0.00 H new ATOM 0 HA LYS A 552 8.910 2.538 3.202 1.00 0.00 H new ATOM 0 HB2 LYS A 552 10.179 -0.135 3.694 1.00 0.00 H new ATOM 0 HB3 LYS A 552 10.109 0.425 2.035 1.00 0.00 H new ATOM 0 HG2 LYS A 552 11.480 2.292 2.465 1.00 0.00 H new ATOM 0 HG3 LYS A 552 11.168 2.254 4.188 1.00 0.00 H new ATOM 0 HD2 LYS A 552 13.286 1.325 4.152 1.00 0.00 H new ATOM 0 HD3 LYS A 552 12.319 -0.133 4.052 1.00 0.00 H new ATOM 0 HE2 LYS A 552 12.624 -0.283 1.659 1.00 0.00 H new ATOM 0 HE3 LYS A 552 13.310 1.328 1.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 552 15.025 -0.361 1.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 552 15.205 0.557 2.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 552 14.541 -1.003 2.964 1.00 0.00 H new ATOM 304 N MET A 553 7.217 -0.254 2.695 1.00 0.00 N ATOM 305 CA MET A 553 6.174 -0.858 1.874 1.00 0.00 C ATOM 306 C MET A 553 4.935 0.031 1.830 1.00 0.00 C ATOM 307 O MET A 553 4.533 0.502 0.765 1.00 0.00 O ATOM 308 CB MET A 553 5.806 -2.241 2.414 1.00 0.00 C ATOM 309 CG MET A 553 6.957 -3.233 2.380 1.00 0.00 C ATOM 310 SD MET A 553 6.448 -4.903 2.832 1.00 0.00 S ATOM 311 CE MET A 553 5.379 -5.315 1.456 1.00 0.00 C ATOM 0 H MET A 553 7.531 -0.835 3.472 1.00 0.00 H new ATOM 0 HA MET A 553 6.560 -0.964 0.860 1.00 0.00 H new ATOM 0 HB2 MET A 553 5.455 -2.139 3.441 1.00 0.00 H new ATOM 0 HB3 MET A 553 4.976 -2.640 1.831 1.00 0.00 H new ATOM 0 HG2 MET A 553 7.390 -3.247 1.380 1.00 0.00 H new ATOM 0 HG3 MET A 553 7.740 -2.899 3.061 1.00 0.00 H new ATOM 0 HE1 MET A 553 4.412 -5.648 1.833 1.00 0.00 H new ATOM 0 HE2 MET A 553 5.240 -4.435 0.827 1.00 0.00 H new ATOM 0 HE3 MET A 553 5.833 -6.113 0.868 1.00 0.00 H new ATOM 321 N LEU A 554 4.333 0.255 2.993 1.00 0.00 N ATOM 322 CA LEU A 554 3.138 1.087 3.088 1.00 0.00 C ATOM 323 C LEU A 554 3.213 2.260 2.115 1.00 0.00 C ATOM 324 O LEU A 554 2.256 2.545 1.394 1.00 0.00 O ATOM 325 CB LEU A 554 2.965 1.606 4.516 1.00 0.00 C ATOM 326 CG LEU A 554 1.709 2.436 4.782 1.00 0.00 C ATOM 327 CD1 LEU A 554 0.480 1.541 4.837 1.00 0.00 C ATOM 328 CD2 LEU A 554 1.854 3.225 6.075 1.00 0.00 C ATOM 0 H LEU A 554 4.652 -0.128 3.883 1.00 0.00 H new ATOM 0 HA LEU A 554 2.277 0.473 2.824 1.00 0.00 H new ATOM 0 HB2 LEU A 554 2.962 0.752 5.193 1.00 0.00 H new ATOM 0 HB3 LEU A 554 3.836 2.211 4.769 1.00 0.00 H new ATOM 0 HG LEU A 554 1.583 3.142 3.961 1.00 0.00 H new ATOM 0 HD11 LEU A 554 -0.405 2.149 5.027 1.00 0.00 H new ATOM 0 HD12 LEU A 554 0.366 1.021 3.886 1.00 0.00 H new ATOM 0 HD13 LEU A 554 0.597 0.811 5.638 1.00 0.00 H new ATOM 0 HD21 LEU A 554 0.950 3.810 6.248 1.00 0.00 H new ATOM 0 HD22 LEU A 554 2.005 2.536 6.906 1.00 0.00 H new ATOM 0 HD23 LEU A 554 2.710 3.895 5.998 1.00 0.00 H new ATOM 340 N LYS A 555 4.356 2.936 2.097 1.00 0.00 N ATOM 341 CA LYS A 555 4.559 4.075 1.211 1.00 0.00 C ATOM 342 C LYS A 555 4.563 3.635 -0.250 1.00 0.00 C ATOM 343 O LYS A 555 3.630 3.926 -0.998 1.00 0.00 O ATOM 344 CB LYS A 555 5.875 4.780 1.545 1.00 0.00 C ATOM 345 CG LYS A 555 6.284 5.824 0.520 1.00 0.00 C ATOM 346 CD LYS A 555 7.780 6.090 0.561 1.00 0.00 C ATOM 347 CE LYS A 555 8.109 7.494 0.077 1.00 0.00 C ATOM 348 NZ LYS A 555 9.560 7.652 -0.218 1.00 0.00 N ATOM 0 H LYS A 555 5.158 2.714 2.687 1.00 0.00 H new ATOM 0 HA LYS A 555 3.733 4.770 1.361 1.00 0.00 H new ATOM 0 HB2 LYS A 555 5.784 5.257 2.521 1.00 0.00 H new ATOM 0 HB3 LYS A 555 6.666 4.035 1.627 1.00 0.00 H new ATOM 0 HG2 LYS A 555 6.001 5.487 -0.477 1.00 0.00 H new ATOM 0 HG3 LYS A 555 5.743 6.752 0.708 1.00 0.00 H new ATOM 0 HD2 LYS A 555 8.146 5.960 1.579 1.00 0.00 H new ATOM 0 HD3 LYS A 555 8.298 5.359 -0.060 1.00 0.00 H new ATOM 0 HE2 LYS A 555 7.530 7.714 -0.820 1.00 0.00 H new ATOM 0 HE3 LYS A 555 7.811 8.219 0.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 555 9.744 8.622 -0.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 555 10.112 7.467 0.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 555 9.839 6.978 -0.959 1.00 0.00 H new ATOM 362 N ASP A 556 5.616 2.930 -0.647 1.00 0.00 N ATOM 363 CA ASP A 556 5.740 2.447 -2.018 1.00 0.00 C ATOM 364 C ASP A 556 4.487 1.687 -2.441 1.00 0.00 C ATOM 365 O ASP A 556 3.795 2.083 -3.379 1.00 0.00 O ATOM 366 CB ASP A 556 6.968 1.545 -2.154 1.00 0.00 C ATOM 367 CG ASP A 556 7.270 1.193 -3.598 1.00 0.00 C ATOM 368 OD1 ASP A 556 6.598 0.290 -4.140 1.00 0.00 O ATOM 369 OD2 ASP A 556 8.177 1.819 -4.184 1.00 0.00 O ATOM 0 H ASP A 556 6.396 2.680 -0.040 1.00 0.00 H new ATOM 0 HA ASP A 556 5.858 3.311 -2.672 1.00 0.00 H new ATOM 0 HB2 ASP A 556 7.832 2.044 -1.716 1.00 0.00 H new ATOM 0 HB3 ASP A 556 6.807 0.629 -1.586 1.00 0.00 H new ATOM 374 N LYS A 557 4.200 0.593 -1.744 1.00 0.00 N ATOM 375 CA LYS A 557 3.030 -0.223 -2.047 1.00 0.00 C ATOM 376 C LYS A 557 1.836 0.652 -2.412 1.00 0.00 C ATOM 377 O LYS A 557 1.115 0.368 -3.369 1.00 0.00 O ATOM 378 CB LYS A 557 2.679 -1.110 -0.850 1.00 0.00 C ATOM 379 CG LYS A 557 1.299 -1.739 -0.944 1.00 0.00 C ATOM 380 CD LYS A 557 1.135 -2.536 -2.227 1.00 0.00 C ATOM 381 CE LYS A 557 1.603 -3.973 -2.054 1.00 0.00 C ATOM 382 NZ LYS A 557 3.034 -4.140 -2.431 1.00 0.00 N ATOM 0 H LYS A 557 4.762 0.251 -0.965 1.00 0.00 H new ATOM 0 HA LYS A 557 3.270 -0.855 -2.902 1.00 0.00 H new ATOM 0 HB2 LYS A 557 3.424 -1.900 -0.763 1.00 0.00 H new ATOM 0 HB3 LYS A 557 2.737 -0.515 0.062 1.00 0.00 H new ATOM 0 HG2 LYS A 557 1.137 -2.392 -0.086 1.00 0.00 H new ATOM 0 HG3 LYS A 557 0.539 -0.959 -0.900 1.00 0.00 H new ATOM 0 HD2 LYS A 557 0.088 -2.527 -2.531 1.00 0.00 H new ATOM 0 HD3 LYS A 557 1.703 -2.061 -3.027 1.00 0.00 H new ATOM 0 HE2 LYS A 557 1.463 -4.278 -1.017 1.00 0.00 H new ATOM 0 HE3 LYS A 557 0.987 -4.632 -2.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 557 3.102 -4.734 -3.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 557 3.453 -3.208 -2.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 557 3.548 -4.595 -1.650 1.00 0.00 H new ATOM 396 N PHE A 558 1.633 1.719 -1.645 1.00 0.00 N ATOM 397 CA PHE A 558 0.526 2.636 -1.889 1.00 0.00 C ATOM 398 C PHE A 558 0.895 3.663 -2.956 1.00 0.00 C ATOM 399 O PHE A 558 0.026 4.214 -3.629 1.00 0.00 O ATOM 400 CB PHE A 558 0.132 3.349 -0.594 1.00 0.00 C ATOM 401 CG PHE A 558 -0.659 2.487 0.348 1.00 0.00 C ATOM 402 CD1 PHE A 558 -0.184 1.245 0.736 1.00 0.00 C ATOM 403 CD2 PHE A 558 -1.878 2.919 0.846 1.00 0.00 C ATOM 404 CE1 PHE A 558 -0.910 0.449 1.602 1.00 0.00 C ATOM 405 CE2 PHE A 558 -2.608 2.128 1.712 1.00 0.00 C ATOM 406 CZ PHE A 558 -2.123 0.892 2.092 1.00 0.00 C ATOM 0 H PHE A 558 2.221 1.969 -0.850 1.00 0.00 H new ATOM 0 HA PHE A 558 -0.323 2.054 -2.248 1.00 0.00 H new ATOM 0 HB2 PHE A 558 1.035 3.692 -0.089 1.00 0.00 H new ATOM 0 HB3 PHE A 558 -0.452 4.236 -0.840 1.00 0.00 H new ATOM 0 HD1 PHE A 558 0.765 0.894 0.357 1.00 0.00 H new ATOM 0 HD2 PHE A 558 -2.262 3.885 0.554 1.00 0.00 H new ATOM 0 HE1 PHE A 558 -0.529 -0.518 1.895 1.00 0.00 H new ATOM 0 HE2 PHE A 558 -3.557 2.476 2.092 1.00 0.00 H new ATOM 0 HZ PHE A 558 -2.691 0.273 2.771 1.00 0.00 H new ATOM 416 N ASN A 559 2.192 3.914 -3.103 1.00 0.00 N ATOM 417 CA ASN A 559 2.678 4.875 -4.087 1.00 0.00 C ATOM 418 C ASN A 559 2.133 4.555 -5.475 1.00 0.00 C ATOM 419 O ASN A 559 2.004 5.439 -6.321 1.00 0.00 O ATOM 420 CB ASN A 559 4.208 4.877 -4.116 1.00 0.00 C ATOM 421 CG ASN A 559 4.772 6.143 -4.731 1.00 0.00 C ATOM 422 OD1 ASN A 559 4.139 7.199 -4.696 1.00 0.00 O ATOM 423 ND2 ASN A 559 5.969 6.043 -5.298 1.00 0.00 N ATOM 0 H ASN A 559 2.925 3.466 -2.554 1.00 0.00 H new ATOM 0 HA ASN A 559 2.325 5.865 -3.797 1.00 0.00 H new ATOM 0 HB2 ASN A 559 4.588 4.769 -3.100 1.00 0.00 H new ATOM 0 HB3 ASN A 559 4.559 4.014 -4.681 1.00 0.00 H new ATOM 0 HD21 ASN A 559 6.400 6.862 -5.728 1.00 0.00 H new ATOM 0 HD22 ASN A 559 6.457 5.148 -5.304 1.00 0.00 H new ATOM 430 N GLU A 560 1.813 3.284 -5.702 1.00 0.00 N ATOM 431 CA GLU A 560 1.282 2.848 -6.988 1.00 0.00 C ATOM 432 C GLU A 560 -0.059 3.517 -7.277 1.00 0.00 C ATOM 433 O GLU A 560 -0.327 3.930 -8.406 1.00 0.00 O ATOM 434 CB GLU A 560 1.120 1.327 -7.008 1.00 0.00 C ATOM 435 CG GLU A 560 2.439 0.574 -6.951 1.00 0.00 C ATOM 436 CD GLU A 560 2.254 -0.931 -6.996 1.00 0.00 C ATOM 437 OE1 GLU A 560 1.626 -1.480 -6.067 1.00 0.00 O ATOM 438 OE2 GLU A 560 2.738 -1.559 -7.961 1.00 0.00 O ATOM 0 H GLU A 560 1.912 2.539 -5.012 1.00 0.00 H new ATOM 0 HA GLU A 560 1.990 3.141 -7.763 1.00 0.00 H new ATOM 0 HB2 GLU A 560 0.502 1.025 -6.163 1.00 0.00 H new ATOM 0 HB3 GLU A 560 0.585 1.039 -7.913 1.00 0.00 H new ATOM 0 HG2 GLU A 560 3.067 0.884 -7.786 1.00 0.00 H new ATOM 0 HG3 GLU A 560 2.968 0.844 -6.037 1.00 0.00 H new ATOM 445 N CYS A 561 -0.896 3.619 -6.251 1.00 0.00 N ATOM 446 CA CYS A 561 -2.210 4.236 -6.395 1.00 0.00 C ATOM 447 C CYS A 561 -2.080 5.723 -6.710 1.00 0.00 C ATOM 448 O CYS A 561 -2.680 6.221 -7.662 1.00 0.00 O ATOM 449 CB CYS A 561 -3.030 4.042 -5.118 1.00 0.00 C ATOM 450 SG CYS A 561 -3.296 2.312 -4.668 1.00 0.00 S ATOM 0 H CYS A 561 -0.689 3.283 -5.311 1.00 0.00 H new ATOM 0 HA CYS A 561 -2.724 3.751 -7.225 1.00 0.00 H new ATOM 0 HB2 CYS A 561 -2.525 4.547 -4.295 1.00 0.00 H new ATOM 0 HB3 CYS A 561 -3.998 4.527 -5.244 1.00 0.00 H new ATOM 0 HG CYS A 561 -3.997 2.251 -3.575 1.00 0.00 H new ATOM 456 N GLY A 562 -1.294 6.428 -5.902 1.00 0.00 N ATOM 457 CA GLY A 562 -1.102 7.851 -6.110 1.00 0.00 C ATOM 458 C GLY A 562 0.215 8.347 -5.547 1.00 0.00 C ATOM 459 O GLY A 562 1.274 7.791 -5.843 1.00 0.00 O ATOM 0 H GLY A 562 -0.787 6.039 -5.107 1.00 0.00 H new ATOM 0 HA2 GLY A 562 -1.142 8.068 -7.178 1.00 0.00 H new ATOM 0 HA3 GLY A 562 -1.922 8.397 -5.643 1.00 0.00 H new ATOM 463 N HIS A 563 0.152 9.396 -4.733 1.00 0.00 N ATOM 464 CA HIS A 563 1.350 9.967 -4.128 1.00 0.00 C ATOM 465 C HIS A 563 1.267 9.913 -2.605 1.00 0.00 C ATOM 466 O HIS A 563 0.385 10.522 -1.999 1.00 0.00 O ATOM 467 CB HIS A 563 1.540 11.413 -4.589 1.00 0.00 C ATOM 468 CG HIS A 563 2.824 12.026 -4.122 1.00 0.00 C ATOM 469 ND1 HIS A 563 3.447 11.971 -2.922 1.00 0.00 N flip ATOM 470 CD2 HIS A 563 3.622 12.808 -4.931 1.00 0.00 C flip ATOM 471 CE1 HIS A 563 4.599 12.711 -3.026 1.00 0.00 C flip ATOM 472 NE2 HIS A 563 4.681 13.205 -4.248 1.00 0.00 N flip ATOM 0 H HIS A 563 -0.716 9.868 -4.477 1.00 0.00 H new ATOM 0 HA HIS A 563 2.207 9.376 -4.449 1.00 0.00 H new ATOM 0 HB2 HIS A 563 1.506 11.446 -5.678 1.00 0.00 H new ATOM 0 HB3 HIS A 563 0.707 12.014 -4.226 1.00 0.00 H new ATOM 0 HD2 HIS A 563 3.414 13.057 -5.961 1.00 0.00 H new ATOM 0 HE1 HIS A 563 5.320 12.864 -2.237 1.00 0.00 H new ATOM 0 HE2 HIS A 563 5.434 13.793 -4.604 1.00 0.00 H new ATOM 481 N VAL A 564 2.192 9.180 -1.993 1.00 0.00 N ATOM 482 CA VAL A 564 2.224 9.047 -0.541 1.00 0.00 C ATOM 483 C VAL A 564 3.083 10.136 0.092 1.00 0.00 C ATOM 484 O VAL A 564 4.227 10.352 -0.311 1.00 0.00 O ATOM 485 CB VAL A 564 2.766 7.669 -0.116 1.00 0.00 C ATOM 486 CG1 VAL A 564 3.047 7.643 1.378 1.00 0.00 C ATOM 487 CG2 VAL A 564 1.787 6.570 -0.502 1.00 0.00 C ATOM 0 H VAL A 564 2.929 8.669 -2.480 1.00 0.00 H new ATOM 0 HA VAL A 564 1.197 9.149 -0.191 1.00 0.00 H new ATOM 0 HB VAL A 564 3.704 7.489 -0.641 1.00 0.00 H new ATOM 0 HG11 VAL A 564 3.429 6.662 1.659 1.00 0.00 H new ATOM 0 HG12 VAL A 564 3.788 8.404 1.622 1.00 0.00 H new ATOM 0 HG13 VAL A 564 2.126 7.844 1.925 1.00 0.00 H new ATOM 0 HG21 VAL A 564 2.186 5.603 -0.194 1.00 0.00 H new ATOM 0 HG22 VAL A 564 0.832 6.743 -0.006 1.00 0.00 H new ATOM 0 HG23 VAL A 564 1.641 6.575 -1.582 1.00 0.00 H new ATOM 497 N LEU A 565 2.525 10.819 1.085 1.00 0.00 N ATOM 498 CA LEU A 565 3.240 11.886 1.776 1.00 0.00 C ATOM 499 C LEU A 565 3.744 11.413 3.135 1.00 0.00 C ATOM 500 O LEU A 565 4.846 11.765 3.557 1.00 0.00 O ATOM 501 CB LEU A 565 2.332 13.104 1.952 1.00 0.00 C ATOM 502 CG LEU A 565 1.849 13.773 0.664 1.00 0.00 C ATOM 503 CD1 LEU A 565 0.779 14.809 0.970 1.00 0.00 C ATOM 504 CD2 LEU A 565 3.016 14.410 -0.077 1.00 0.00 C ATOM 0 H LEU A 565 1.580 10.653 1.430 1.00 0.00 H new ATOM 0 HA LEU A 565 4.100 12.166 1.168 1.00 0.00 H new ATOM 0 HB2 LEU A 565 1.459 12.801 2.530 1.00 0.00 H new ATOM 0 HB3 LEU A 565 2.865 13.847 2.546 1.00 0.00 H new ATOM 0 HG LEU A 565 1.412 13.008 0.022 1.00 0.00 H new ATOM 0 HD11 LEU A 565 0.447 15.275 0.042 1.00 0.00 H new ATOM 0 HD12 LEU A 565 -0.068 14.325 1.456 1.00 0.00 H new ATOM 0 HD13 LEU A 565 1.190 15.572 1.632 1.00 0.00 H new ATOM 0 HD21 LEU A 565 2.653 14.881 -0.991 1.00 0.00 H new ATOM 0 HD22 LEU A 565 3.483 15.162 0.558 1.00 0.00 H new ATOM 0 HD23 LEU A 565 3.748 13.643 -0.330 1.00 0.00 H new ATOM 516 N TYR A 566 2.932 10.612 3.815 1.00 0.00 N ATOM 517 CA TYR A 566 3.295 10.090 5.128 1.00 0.00 C ATOM 518 C TYR A 566 2.914 8.618 5.253 1.00 0.00 C ATOM 519 O TYR A 566 1.823 8.212 4.855 1.00 0.00 O ATOM 520 CB TYR A 566 2.611 10.901 6.229 1.00 0.00 C ATOM 521 CG TYR A 566 2.853 10.359 7.620 1.00 0.00 C ATOM 522 CD1 TYR A 566 4.133 10.321 8.159 1.00 0.00 C ATOM 523 CD2 TYR A 566 1.802 9.885 8.394 1.00 0.00 C ATOM 524 CE1 TYR A 566 4.359 9.825 9.429 1.00 0.00 C ATOM 525 CE2 TYR A 566 2.018 9.388 9.665 1.00 0.00 C ATOM 526 CZ TYR A 566 3.298 9.360 10.178 1.00 0.00 C ATOM 527 OH TYR A 566 3.518 8.867 11.444 1.00 0.00 O ATOM 0 H TYR A 566 2.018 10.310 3.479 1.00 0.00 H new ATOM 0 HA TYR A 566 4.376 10.178 5.240 1.00 0.00 H new ATOM 0 HB2 TYR A 566 2.965 11.931 6.183 1.00 0.00 H new ATOM 0 HB3 TYR A 566 1.538 10.924 6.039 1.00 0.00 H new ATOM 0 HD1 TYR A 566 4.966 10.685 7.576 1.00 0.00 H new ATOM 0 HD2 TYR A 566 0.798 9.905 7.996 1.00 0.00 H new ATOM 0 HE1 TYR A 566 5.360 9.802 9.833 1.00 0.00 H new ATOM 0 HE2 TYR A 566 1.189 9.023 10.254 1.00 0.00 H new ATOM 0 HH TYR A 566 2.667 8.581 11.836 1.00 0.00 H new ATOM 537 N ALA A 567 3.822 7.824 5.811 1.00 0.00 N ATOM 538 CA ALA A 567 3.582 6.398 5.993 1.00 0.00 C ATOM 539 C ALA A 567 4.333 5.865 7.208 1.00 0.00 C ATOM 540 O ALA A 567 5.563 5.876 7.243 1.00 0.00 O ATOM 541 CB ALA A 567 3.985 5.631 4.742 1.00 0.00 C ATOM 0 H ALA A 567 4.731 8.145 6.145 1.00 0.00 H new ATOM 0 HA ALA A 567 2.516 6.254 6.166 1.00 0.00 H new ATOM 0 HB1 ALA A 567 3.800 4.567 4.892 1.00 0.00 H new ATOM 0 HB2 ALA A 567 3.399 5.985 3.894 1.00 0.00 H new ATOM 0 HB3 ALA A 567 5.045 5.791 4.543 1.00 0.00 H new ATOM 547 N ASP A 568 3.585 5.400 8.203 1.00 0.00 N ATOM 548 CA ASP A 568 4.180 4.862 9.420 1.00 0.00 C ATOM 549 C ASP A 568 3.403 3.646 9.914 1.00 0.00 C ATOM 550 O ASP A 568 2.172 3.661 9.960 1.00 0.00 O ATOM 551 CB ASP A 568 4.222 5.934 10.510 1.00 0.00 C ATOM 552 CG ASP A 568 5.201 5.597 11.617 1.00 0.00 C ATOM 553 OD1 ASP A 568 5.352 4.398 11.931 1.00 0.00 O ATOM 554 OD2 ASP A 568 5.816 6.533 12.169 1.00 0.00 O ATOM 0 H ASP A 568 2.565 5.385 8.190 1.00 0.00 H new ATOM 0 HA ASP A 568 5.199 4.550 9.189 1.00 0.00 H new ATOM 0 HB2 ASP A 568 4.497 6.890 10.065 1.00 0.00 H new ATOM 0 HB3 ASP A 568 3.226 6.055 10.935 1.00 0.00 H new ATOM 559 N ILE A 569 4.128 2.596 10.282 1.00 0.00 N ATOM 560 CA ILE A 569 3.506 1.372 10.773 1.00 0.00 C ATOM 561 C ILE A 569 3.296 1.430 12.282 1.00 0.00 C ATOM 562 O ILE A 569 4.218 1.181 13.059 1.00 0.00 O ATOM 563 CB ILE A 569 4.354 0.133 10.431 1.00 0.00 C ATOM 564 CG1 ILE A 569 4.540 0.018 8.917 1.00 0.00 C ATOM 565 CG2 ILE A 569 3.702 -1.124 10.987 1.00 0.00 C ATOM 566 CD1 ILE A 569 3.298 -0.444 8.188 1.00 0.00 C ATOM 0 H ILE A 569 5.147 2.568 10.250 1.00 0.00 H new ATOM 0 HA ILE A 569 2.539 1.288 10.277 1.00 0.00 H new ATOM 0 HB ILE A 569 5.336 0.244 10.891 1.00 0.00 H new ATOM 0 HG12 ILE A 569 4.844 0.987 8.522 1.00 0.00 H new ATOM 0 HG13 ILE A 569 5.352 -0.679 8.711 1.00 0.00 H new ATOM 0 HG21 ILE A 569 4.313 -1.992 10.737 1.00 0.00 H new ATOM 0 HG22 ILE A 569 3.616 -1.040 12.070 1.00 0.00 H new ATOM 0 HG23 ILE A 569 2.709 -1.242 10.552 1.00 0.00 H new ATOM 0 HD11 ILE A 569 3.504 -0.502 7.119 1.00 0.00 H new ATOM 0 HD12 ILE A 569 3.005 -1.428 8.555 1.00 0.00 H new ATOM 0 HD13 ILE A 569 2.488 0.265 8.363 1.00 0.00 H new ATOM 578 N LYS A 570 2.075 1.757 12.692 1.00 0.00 N ATOM 579 CA LYS A 570 1.740 1.845 14.109 1.00 0.00 C ATOM 580 C LYS A 570 2.427 0.735 14.899 1.00 0.00 C ATOM 581 O LYS A 570 2.444 -0.421 14.477 1.00 0.00 O ATOM 582 CB LYS A 570 0.225 1.760 14.302 1.00 0.00 C ATOM 583 CG LYS A 570 -0.536 2.900 13.648 1.00 0.00 C ATOM 584 CD LYS A 570 -0.755 4.052 14.615 1.00 0.00 C ATOM 585 CE LYS A 570 0.430 5.006 14.622 1.00 0.00 C ATOM 586 NZ LYS A 570 1.430 4.641 15.662 1.00 0.00 N ATOM 0 H LYS A 570 1.300 1.966 12.062 1.00 0.00 H new ATOM 0 HA LYS A 570 2.094 2.806 14.482 1.00 0.00 H new ATOM 0 HB2 LYS A 570 -0.132 0.814 13.894 1.00 0.00 H new ATOM 0 HB3 LYS A 570 0.003 1.751 15.369 1.00 0.00 H new ATOM 0 HG2 LYS A 570 0.016 3.255 12.777 1.00 0.00 H new ATOM 0 HG3 LYS A 570 -1.499 2.537 13.289 1.00 0.00 H new ATOM 0 HD2 LYS A 570 -1.659 4.595 14.338 1.00 0.00 H new ATOM 0 HD3 LYS A 570 -0.914 3.660 15.620 1.00 0.00 H new ATOM 0 HE2 LYS A 570 0.907 5.000 13.642 1.00 0.00 H new ATOM 0 HE3 LYS A 570 0.077 6.022 14.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 570 1.383 5.325 16.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 570 1.224 3.687 16.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 570 2.384 4.655 15.247 1.00 0.00 H new ATOM 600 N MET A 571 2.990 1.095 16.048 1.00 0.00 N ATOM 601 CA MET A 571 3.676 0.129 16.898 1.00 0.00 C ATOM 602 C MET A 571 3.100 0.142 18.310 1.00 0.00 C ATOM 603 O MET A 571 2.570 1.156 18.763 1.00 0.00 O ATOM 604 CB MET A 571 5.175 0.430 16.943 1.00 0.00 C ATOM 605 CG MET A 571 5.906 0.068 15.660 1.00 0.00 C ATOM 606 SD MET A 571 7.653 -0.287 15.933 1.00 0.00 S ATOM 607 CE MET A 571 7.579 -2.015 16.398 1.00 0.00 C ATOM 0 H MET A 571 2.985 2.048 16.412 1.00 0.00 H new ATOM 0 HA MET A 571 3.525 -0.863 16.472 1.00 0.00 H new ATOM 0 HB2 MET A 571 5.318 1.491 17.146 1.00 0.00 H new ATOM 0 HB3 MET A 571 5.622 -0.117 17.773 1.00 0.00 H new ATOM 0 HG2 MET A 571 5.429 -0.801 15.207 1.00 0.00 H new ATOM 0 HG3 MET A 571 5.813 0.889 14.949 1.00 0.00 H new ATOM 0 HE1 MET A 571 8.586 -2.381 16.599 1.00 0.00 H new ATOM 0 HE2 MET A 571 6.967 -2.125 17.293 1.00 0.00 H new ATOM 0 HE3 MET A 571 7.139 -2.592 15.585 1.00 0.00 H new ATOM 617 N GLU A 572 3.208 -0.989 19.000 1.00 0.00 N ATOM 618 CA GLU A 572 2.696 -1.105 20.360 1.00 0.00 C ATOM 619 C GLU A 572 3.344 -2.280 21.087 1.00 0.00 C ATOM 620 O GLU A 572 3.472 -3.372 20.534 1.00 0.00 O ATOM 621 CB GLU A 572 1.176 -1.278 20.344 1.00 0.00 C ATOM 622 CG GLU A 572 0.575 -1.514 21.720 1.00 0.00 C ATOM 623 CD GLU A 572 -0.886 -1.114 21.795 1.00 0.00 C ATOM 624 OE1 GLU A 572 -1.607 -1.313 20.795 1.00 0.00 O ATOM 625 OE2 GLU A 572 -1.308 -0.603 22.853 1.00 0.00 O ATOM 0 H GLU A 572 3.645 -1.837 18.640 1.00 0.00 H new ATOM 0 HA GLU A 572 2.945 -0.187 20.893 1.00 0.00 H new ATOM 0 HB2 GLU A 572 0.722 -0.389 19.906 1.00 0.00 H new ATOM 0 HB3 GLU A 572 0.921 -2.117 19.697 1.00 0.00 H new ATOM 0 HG2 GLU A 572 0.673 -2.568 21.979 1.00 0.00 H new ATOM 0 HG3 GLU A 572 1.141 -0.950 22.461 1.00 0.00 H new ATOM 632 N ASN A 573 3.753 -2.047 22.330 1.00 0.00 N ATOM 633 CA ASN A 573 4.389 -3.085 23.133 1.00 0.00 C ATOM 634 C ASN A 573 5.677 -3.569 22.474 1.00 0.00 C ATOM 635 O ASN A 573 6.108 -4.702 22.686 1.00 0.00 O ATOM 636 CB ASN A 573 3.433 -4.262 23.333 1.00 0.00 C ATOM 637 CG ASN A 573 2.565 -4.098 24.566 1.00 0.00 C ATOM 638 OD1 ASN A 573 2.991 -3.523 25.567 1.00 0.00 O ATOM 639 ND2 ASN A 573 1.339 -4.606 24.499 1.00 0.00 N ATOM 0 H ASN A 573 3.655 -1.149 22.803 1.00 0.00 H new ATOM 0 HA ASN A 573 4.636 -2.657 24.105 1.00 0.00 H new ATOM 0 HB2 ASN A 573 2.796 -4.363 22.454 1.00 0.00 H new ATOM 0 HB3 ASN A 573 4.008 -5.184 23.417 1.00 0.00 H new ATOM 0 HD21 ASN A 573 0.710 -4.527 25.298 1.00 0.00 H new ATOM 0 HD22 ASN A 573 1.027 -5.075 23.649 1.00 0.00 H new ATOM 646 N GLY A 574 6.289 -2.701 21.674 1.00 0.00 N ATOM 647 CA GLY A 574 7.522 -3.057 20.997 1.00 0.00 C ATOM 648 C GLY A 574 7.278 -3.823 19.712 1.00 0.00 C ATOM 649 O GLY A 574 8.182 -3.979 18.891 1.00 0.00 O ATOM 0 H GLY A 574 5.953 -1.757 21.483 1.00 0.00 H new ATOM 0 HA2 GLY A 574 8.085 -2.151 20.775 1.00 0.00 H new ATOM 0 HA3 GLY A 574 8.138 -3.660 21.664 1.00 0.00 H new ATOM 653 N LYS A 575 6.052 -4.306 19.537 1.00 0.00 N ATOM 654 CA LYS A 575 5.690 -5.061 18.343 1.00 0.00 C ATOM 655 C LYS A 575 4.603 -4.339 17.552 1.00 0.00 C ATOM 656 O LYS A 575 3.776 -3.627 18.122 1.00 0.00 O ATOM 657 CB LYS A 575 5.210 -6.462 18.727 1.00 0.00 C ATOM 658 CG LYS A 575 4.037 -6.461 19.693 1.00 0.00 C ATOM 659 CD LYS A 575 2.709 -6.456 18.956 1.00 0.00 C ATOM 660 CE LYS A 575 1.571 -6.914 19.856 1.00 0.00 C ATOM 661 NZ LYS A 575 0.492 -7.591 19.084 1.00 0.00 N ATOM 0 H LYS A 575 5.292 -4.188 20.207 1.00 0.00 H new ATOM 0 HA LYS A 575 6.577 -5.147 17.715 1.00 0.00 H new ATOM 0 HB2 LYS A 575 4.924 -6.999 17.823 1.00 0.00 H new ATOM 0 HB3 LYS A 575 6.038 -7.010 19.175 1.00 0.00 H new ATOM 0 HG2 LYS A 575 4.094 -7.339 20.337 1.00 0.00 H new ATOM 0 HG3 LYS A 575 4.098 -5.586 20.341 1.00 0.00 H new ATOM 0 HD2 LYS A 575 2.501 -5.452 18.586 1.00 0.00 H new ATOM 0 HD3 LYS A 575 2.772 -7.109 18.086 1.00 0.00 H new ATOM 0 HE2 LYS A 575 1.958 -7.596 20.613 1.00 0.00 H new ATOM 0 HE3 LYS A 575 1.156 -6.055 20.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 575 -0.429 -7.382 19.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 575 0.498 -7.246 18.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 575 0.653 -8.618 19.090 1.00 0.00 H new ATOM 675 N SER A 576 4.611 -4.529 16.237 1.00 0.00 N ATOM 676 CA SER A 576 3.627 -3.894 15.367 1.00 0.00 C ATOM 677 C SER A 576 2.249 -4.520 15.558 1.00 0.00 C ATOM 678 O SER A 576 2.130 -5.678 15.959 1.00 0.00 O ATOM 679 CB SER A 576 4.056 -4.014 13.904 1.00 0.00 C ATOM 680 OG SER A 576 3.918 -5.346 13.440 1.00 0.00 O ATOM 0 H SER A 576 5.287 -5.117 15.750 1.00 0.00 H new ATOM 0 HA SER A 576 3.568 -2.839 15.635 1.00 0.00 H new ATOM 0 HB2 SER A 576 3.452 -3.347 13.289 1.00 0.00 H new ATOM 0 HB3 SER A 576 5.093 -3.694 13.798 1.00 0.00 H new ATOM 0 HG SER A 576 4.197 -5.396 12.502 1.00 0.00 H new ATOM 686 N LYS A 577 1.209 -3.745 15.269 1.00 0.00 N ATOM 687 CA LYS A 577 -0.162 -4.221 15.407 1.00 0.00 C ATOM 688 C LYS A 577 -0.852 -4.294 14.048 1.00 0.00 C ATOM 689 O LYS A 577 -2.056 -4.065 13.939 1.00 0.00 O ATOM 690 CB LYS A 577 -0.951 -3.303 16.343 1.00 0.00 C ATOM 691 CG LYS A 577 -0.252 -3.036 17.664 1.00 0.00 C ATOM 692 CD LYS A 577 -0.324 -4.241 18.587 1.00 0.00 C ATOM 693 CE LYS A 577 -1.759 -4.561 18.976 1.00 0.00 C ATOM 694 NZ LYS A 577 -2.407 -5.480 17.999 1.00 0.00 N ATOM 0 H LYS A 577 1.290 -2.784 14.937 1.00 0.00 H new ATOM 0 HA LYS A 577 -0.131 -5.224 15.833 1.00 0.00 H new ATOM 0 HB2 LYS A 577 -1.133 -2.354 15.839 1.00 0.00 H new ATOM 0 HB3 LYS A 577 -1.925 -3.750 16.541 1.00 0.00 H new ATOM 0 HG2 LYS A 577 0.791 -2.780 17.479 1.00 0.00 H new ATOM 0 HG3 LYS A 577 -0.710 -2.175 18.151 1.00 0.00 H new ATOM 0 HD2 LYS A 577 0.122 -5.105 18.094 1.00 0.00 H new ATOM 0 HD3 LYS A 577 0.263 -4.048 19.485 1.00 0.00 H new ATOM 0 HE2 LYS A 577 -1.774 -5.015 19.967 1.00 0.00 H new ATOM 0 HE3 LYS A 577 -2.333 -3.636 19.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 577 -3.201 -4.992 17.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 577 -1.713 -5.769 17.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 577 -2.761 -6.322 18.496 1.00 0.00 H new ATOM 708 N GLY A 578 -0.081 -4.616 13.014 1.00 0.00 N ATOM 709 CA GLY A 578 -0.636 -4.715 11.677 1.00 0.00 C ATOM 710 C GLY A 578 -1.626 -3.607 11.377 1.00 0.00 C ATOM 711 O GLY A 578 -2.781 -3.871 11.040 1.00 0.00 O ATOM 0 H GLY A 578 0.918 -4.810 13.078 1.00 0.00 H new ATOM 0 HA2 GLY A 578 0.173 -4.682 10.948 1.00 0.00 H new ATOM 0 HA3 GLY A 578 -1.130 -5.680 11.562 1.00 0.00 H new ATOM 715 N CYS A 579 -1.174 -2.363 11.501 1.00 0.00 N ATOM 716 CA CYS A 579 -2.030 -1.210 11.243 1.00 0.00 C ATOM 717 C CYS A 579 -1.199 0.059 11.088 1.00 0.00 C ATOM 718 O CYS A 579 -0.129 0.190 11.682 1.00 0.00 O ATOM 719 CB CYS A 579 -3.042 -1.037 12.375 1.00 0.00 C ATOM 720 SG CYS A 579 -2.296 -0.879 14.015 1.00 0.00 S ATOM 0 H CYS A 579 -0.221 -2.128 11.778 1.00 0.00 H new ATOM 0 HA CYS A 579 -2.566 -1.387 10.311 1.00 0.00 H new ATOM 0 HB2 CYS A 579 -3.646 -0.152 12.176 1.00 0.00 H new ATOM 0 HB3 CYS A 579 -3.719 -1.891 12.376 1.00 0.00 H new ATOM 0 HG CYS A 579 -3.232 -0.735 14.905 1.00 0.00 H new ATOM 726 N GLY A 580 -1.698 0.993 10.283 1.00 0.00 N ATOM 727 CA GLY A 580 -0.988 2.239 10.063 1.00 0.00 C ATOM 728 C GLY A 580 -1.842 3.277 9.363 1.00 0.00 C ATOM 729 O GLY A 580 -3.060 3.126 9.264 1.00 0.00 O ATOM 0 H GLY A 580 -2.581 0.908 9.780 1.00 0.00 H new ATOM 0 HA2 GLY A 580 -0.651 2.636 11.021 1.00 0.00 H new ATOM 0 HA3 GLY A 580 -0.096 2.045 9.467 1.00 0.00 H new ATOM 733 N VAL A 581 -1.203 4.337 8.877 1.00 0.00 N ATOM 734 CA VAL A 581 -1.912 5.405 8.183 1.00 0.00 C ATOM 735 C VAL A 581 -1.133 5.879 6.961 1.00 0.00 C ATOM 736 O VAL A 581 0.097 5.914 6.971 1.00 0.00 O ATOM 737 CB VAL A 581 -2.168 6.606 9.113 1.00 0.00 C ATOM 738 CG1 VAL A 581 -3.367 6.341 10.010 1.00 0.00 C ATOM 739 CG2 VAL A 581 -0.929 6.911 9.941 1.00 0.00 C ATOM 0 H VAL A 581 -0.196 4.479 8.951 1.00 0.00 H new ATOM 0 HA VAL A 581 -2.869 4.993 7.863 1.00 0.00 H new ATOM 0 HB VAL A 581 -2.391 7.478 8.499 1.00 0.00 H new ATOM 0 HG11 VAL A 581 -3.532 7.200 10.660 1.00 0.00 H new ATOM 0 HG12 VAL A 581 -4.252 6.175 9.395 1.00 0.00 H new ATOM 0 HG13 VAL A 581 -3.178 5.457 10.619 1.00 0.00 H new ATOM 0 HG21 VAL A 581 -1.127 7.762 10.592 1.00 0.00 H new ATOM 0 HG22 VAL A 581 -0.673 6.042 10.547 1.00 0.00 H new ATOM 0 HG23 VAL A 581 -0.097 7.148 9.278 1.00 0.00 H new ATOM 749 N VAL A 582 -1.858 6.243 5.908 1.00 0.00 N ATOM 750 CA VAL A 582 -1.235 6.717 4.678 1.00 0.00 C ATOM 751 C VAL A 582 -1.917 7.982 4.168 1.00 0.00 C ATOM 752 O VAL A 582 -3.123 7.993 3.919 1.00 0.00 O ATOM 753 CB VAL A 582 -1.281 5.643 3.576 1.00 0.00 C ATOM 754 CG1 VAL A 582 -0.802 6.216 2.251 1.00 0.00 C ATOM 755 CG2 VAL A 582 -0.448 4.434 3.975 1.00 0.00 C ATOM 0 H VAL A 582 -2.877 6.219 5.882 1.00 0.00 H new ATOM 0 HA VAL A 582 -0.195 6.939 4.916 1.00 0.00 H new ATOM 0 HB VAL A 582 -2.314 5.319 3.452 1.00 0.00 H new ATOM 0 HG11 VAL A 582 -0.842 5.442 1.484 1.00 0.00 H new ATOM 0 HG12 VAL A 582 -1.444 7.048 1.961 1.00 0.00 H new ATOM 0 HG13 VAL A 582 0.224 6.570 2.357 1.00 0.00 H new ATOM 0 HG21 VAL A 582 -0.492 3.685 3.184 1.00 0.00 H new ATOM 0 HG22 VAL A 582 0.587 4.740 4.128 1.00 0.00 H new ATOM 0 HG23 VAL A 582 -0.841 4.010 4.899 1.00 0.00 H new ATOM 765 N LYS A 583 -1.138 9.047 4.015 1.00 0.00 N ATOM 766 CA LYS A 583 -1.665 10.318 3.533 1.00 0.00 C ATOM 767 C LYS A 583 -1.350 10.512 2.053 1.00 0.00 C ATOM 768 O LYS A 583 -0.497 9.821 1.494 1.00 0.00 O ATOM 769 CB LYS A 583 -1.081 11.476 4.345 1.00 0.00 C ATOM 770 CG LYS A 583 -1.929 11.868 5.543 1.00 0.00 C ATOM 771 CD LYS A 583 -1.654 10.970 6.738 1.00 0.00 C ATOM 772 CE LYS A 583 -1.896 11.700 8.050 1.00 0.00 C ATOM 773 NZ LYS A 583 -3.096 12.579 7.983 1.00 0.00 N ATOM 0 H LYS A 583 -0.138 9.055 4.218 1.00 0.00 H new ATOM 0 HA LYS A 583 -2.748 10.304 3.657 1.00 0.00 H new ATOM 0 HB2 LYS A 583 -0.085 11.200 4.690 1.00 0.00 H new ATOM 0 HB3 LYS A 583 -0.964 12.342 3.694 1.00 0.00 H new ATOM 0 HG2 LYS A 583 -1.725 12.905 5.811 1.00 0.00 H new ATOM 0 HG3 LYS A 583 -2.985 11.809 5.278 1.00 0.00 H new ATOM 0 HD2 LYS A 583 -2.293 10.089 6.687 1.00 0.00 H new ATOM 0 HD3 LYS A 583 -0.623 10.618 6.701 1.00 0.00 H new ATOM 0 HE2 LYS A 583 -2.023 10.973 8.852 1.00 0.00 H new ATOM 0 HE3 LYS A 583 -1.020 12.299 8.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 583 -3.478 12.719 8.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 583 -2.830 13.499 7.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 583 -3.820 12.133 7.384 1.00 0.00 H new ATOM 787 N PHE A 584 -2.042 11.455 1.424 1.00 0.00 N ATOM 788 CA PHE A 584 -1.836 11.740 0.009 1.00 0.00 C ATOM 789 C PHE A 584 -1.898 13.241 -0.259 1.00 0.00 C ATOM 790 O PHE A 584 -2.154 14.033 0.647 1.00 0.00 O ATOM 791 CB PHE A 584 -2.885 11.016 -0.837 1.00 0.00 C ATOM 792 CG PHE A 584 -2.817 9.519 -0.725 1.00 0.00 C ATOM 793 CD1 PHE A 584 -3.448 8.860 0.318 1.00 0.00 C ATOM 794 CD2 PHE A 584 -2.123 8.772 -1.663 1.00 0.00 C ATOM 795 CE1 PHE A 584 -3.386 7.484 0.424 1.00 0.00 C ATOM 796 CE2 PHE A 584 -2.058 7.395 -1.562 1.00 0.00 C ATOM 797 CZ PHE A 584 -2.691 6.750 -0.518 1.00 0.00 C ATOM 0 H PHE A 584 -2.751 12.036 1.872 1.00 0.00 H new ATOM 0 HA PHE A 584 -0.845 11.380 -0.267 1.00 0.00 H new ATOM 0 HB2 PHE A 584 -3.878 11.350 -0.535 1.00 0.00 H new ATOM 0 HB3 PHE A 584 -2.757 11.300 -1.881 1.00 0.00 H new ATOM 0 HD1 PHE A 584 -3.994 9.428 1.056 1.00 0.00 H new ATOM 0 HD2 PHE A 584 -1.627 9.271 -2.482 1.00 0.00 H new ATOM 0 HE1 PHE A 584 -3.880 6.982 1.243 1.00 0.00 H new ATOM 0 HE2 PHE A 584 -1.513 6.824 -2.299 1.00 0.00 H new ATOM 0 HZ PHE A 584 -2.643 5.674 -0.438 1.00 0.00 H new ATOM 807 N GLU A 585 -1.661 13.623 -1.510 1.00 0.00 N ATOM 808 CA GLU A 585 -1.689 15.029 -1.897 1.00 0.00 C ATOM 809 C GLU A 585 -3.123 15.507 -2.107 1.00 0.00 C ATOM 810 O GLU A 585 -3.471 16.633 -1.752 1.00 0.00 O ATOM 811 CB GLU A 585 -0.875 15.245 -3.175 1.00 0.00 C ATOM 812 CG GLU A 585 0.625 15.114 -2.971 1.00 0.00 C ATOM 813 CD GLU A 585 1.280 16.429 -2.595 1.00 0.00 C ATOM 814 OE1 GLU A 585 0.658 17.207 -1.841 1.00 0.00 O ATOM 815 OE2 GLU A 585 2.413 16.681 -3.054 1.00 0.00 O ATOM 0 H GLU A 585 -1.448 12.979 -2.272 1.00 0.00 H new ATOM 0 HA GLU A 585 -1.245 15.611 -1.089 1.00 0.00 H new ATOM 0 HB2 GLU A 585 -1.195 14.523 -3.926 1.00 0.00 H new ATOM 0 HB3 GLU A 585 -1.094 16.236 -3.572 1.00 0.00 H new ATOM 0 HG2 GLU A 585 0.819 14.379 -2.189 1.00 0.00 H new ATOM 0 HG3 GLU A 585 1.080 14.734 -3.886 1.00 0.00 H new ATOM 822 N SER A 586 -3.950 14.643 -2.686 1.00 0.00 N ATOM 823 CA SER A 586 -5.345 14.978 -2.948 1.00 0.00 C ATOM 824 C SER A 586 -6.280 14.058 -2.168 1.00 0.00 C ATOM 825 O SER A 586 -5.929 12.934 -1.810 1.00 0.00 O ATOM 826 CB SER A 586 -5.643 14.876 -4.445 1.00 0.00 C ATOM 827 OG SER A 586 -5.407 16.112 -5.097 1.00 0.00 O ATOM 0 H SER A 586 -3.678 13.706 -2.983 1.00 0.00 H new ATOM 0 HA SER A 586 -5.515 16.003 -2.620 1.00 0.00 H new ATOM 0 HB2 SER A 586 -5.020 14.101 -4.891 1.00 0.00 H new ATOM 0 HB3 SER A 586 -6.680 14.575 -4.593 1.00 0.00 H new ATOM 0 HG SER A 586 -5.603 16.020 -6.053 1.00 0.00 H new ATOM 833 N PRO A 587 -7.499 14.547 -1.898 1.00 0.00 N ATOM 834 CA PRO A 587 -8.511 13.787 -1.159 1.00 0.00 C ATOM 835 C PRO A 587 -9.053 12.609 -1.962 1.00 0.00 C ATOM 836 O PRO A 587 -9.369 11.559 -1.404 1.00 0.00 O ATOM 837 CB PRO A 587 -9.615 14.816 -0.907 1.00 0.00 C ATOM 838 CG PRO A 587 -9.458 15.815 -2.002 1.00 0.00 C ATOM 839 CD PRO A 587 -7.985 15.880 -2.295 1.00 0.00 C ATOM 0 HA PRO A 587 -8.105 13.347 -0.248 1.00 0.00 H new ATOM 0 HB2 PRO A 587 -10.601 14.353 -0.932 1.00 0.00 H new ATOM 0 HB3 PRO A 587 -9.506 15.282 0.073 1.00 0.00 H new ATOM 0 HG2 PRO A 587 -10.019 15.515 -2.887 1.00 0.00 H new ATOM 0 HG3 PRO A 587 -9.839 16.790 -1.698 1.00 0.00 H new ATOM 0 HD2 PRO A 587 -7.793 16.080 -3.349 1.00 0.00 H new ATOM 0 HD3 PRO A 587 -7.497 16.672 -1.727 1.00 0.00 H new ATOM 847 N GLU A 588 -9.158 12.792 -3.274 1.00 0.00 N ATOM 848 CA GLU A 588 -9.663 11.744 -4.153 1.00 0.00 C ATOM 849 C GLU A 588 -8.733 10.534 -4.146 1.00 0.00 C ATOM 850 O GLU A 588 -9.185 9.389 -4.190 1.00 0.00 O ATOM 851 CB GLU A 588 -9.816 12.274 -5.580 1.00 0.00 C ATOM 852 CG GLU A 588 -8.518 12.785 -6.183 1.00 0.00 C ATOM 853 CD GLU A 588 -8.680 13.234 -7.622 1.00 0.00 C ATOM 854 OE1 GLU A 588 -9.507 14.135 -7.874 1.00 0.00 O ATOM 855 OE2 GLU A 588 -7.980 12.683 -8.497 1.00 0.00 O ATOM 0 H GLU A 588 -8.900 13.656 -3.752 1.00 0.00 H new ATOM 0 HA GLU A 588 -10.640 11.433 -3.782 1.00 0.00 H new ATOM 0 HB2 GLU A 588 -10.213 11.480 -6.213 1.00 0.00 H new ATOM 0 HB3 GLU A 588 -10.550 13.080 -5.582 1.00 0.00 H new ATOM 0 HG2 GLU A 588 -8.148 13.618 -5.586 1.00 0.00 H new ATOM 0 HG3 GLU A 588 -7.765 11.999 -6.134 1.00 0.00 H new ATOM 862 N VAL A 589 -7.431 10.795 -4.090 1.00 0.00 N ATOM 863 CA VAL A 589 -6.437 9.729 -4.077 1.00 0.00 C ATOM 864 C VAL A 589 -6.525 8.912 -2.792 1.00 0.00 C ATOM 865 O VAL A 589 -6.351 7.694 -2.806 1.00 0.00 O ATOM 866 CB VAL A 589 -5.010 10.290 -4.219 1.00 0.00 C ATOM 867 CG1 VAL A 589 -4.002 9.159 -4.356 1.00 0.00 C ATOM 868 CG2 VAL A 589 -4.926 11.236 -5.408 1.00 0.00 C ATOM 0 H VAL A 589 -7.040 11.736 -4.053 1.00 0.00 H new ATOM 0 HA VAL A 589 -6.652 9.085 -4.930 1.00 0.00 H new ATOM 0 HB VAL A 589 -4.768 10.853 -3.317 1.00 0.00 H new ATOM 0 HG11 VAL A 589 -2.999 9.575 -4.455 1.00 0.00 H new ATOM 0 HG12 VAL A 589 -4.045 8.524 -3.471 1.00 0.00 H new ATOM 0 HG13 VAL A 589 -4.238 8.566 -5.240 1.00 0.00 H new ATOM 0 HG21 VAL A 589 -3.911 11.623 -5.494 1.00 0.00 H new ATOM 0 HG22 VAL A 589 -5.188 10.699 -6.320 1.00 0.00 H new ATOM 0 HG23 VAL A 589 -5.619 12.064 -5.263 1.00 0.00 H new ATOM 878 N ALA A 590 -6.796 9.592 -1.683 1.00 0.00 N ATOM 879 CA ALA A 590 -6.909 8.929 -0.390 1.00 0.00 C ATOM 880 C ALA A 590 -7.975 7.839 -0.423 1.00 0.00 C ATOM 881 O ALA A 590 -7.692 6.675 -0.143 1.00 0.00 O ATOM 882 CB ALA A 590 -7.225 9.946 0.698 1.00 0.00 C ATOM 0 H ALA A 590 -6.941 10.601 -1.654 1.00 0.00 H new ATOM 0 HA ALA A 590 -5.952 8.458 -0.166 1.00 0.00 H new ATOM 0 HB1 ALA A 590 -7.307 9.438 1.659 1.00 0.00 H new ATOM 0 HB2 ALA A 590 -6.427 10.687 0.746 1.00 0.00 H new ATOM 0 HB3 ALA A 590 -8.168 10.443 0.469 1.00 0.00 H new ATOM 888 N GLU A 591 -9.200 8.225 -0.766 1.00 0.00 N ATOM 889 CA GLU A 591 -10.307 7.279 -0.834 1.00 0.00 C ATOM 890 C GLU A 591 -10.113 6.296 -1.985 1.00 0.00 C ATOM 891 O GLU A 591 -10.603 5.167 -1.941 1.00 0.00 O ATOM 892 CB GLU A 591 -11.633 8.023 -1.002 1.00 0.00 C ATOM 893 CG GLU A 591 -12.023 8.253 -2.453 1.00 0.00 C ATOM 894 CD GLU A 591 -12.976 9.420 -2.623 1.00 0.00 C ATOM 895 OE1 GLU A 591 -12.528 10.577 -2.480 1.00 0.00 O ATOM 896 OE2 GLU A 591 -14.169 9.176 -2.899 1.00 0.00 O ATOM 0 H GLU A 591 -9.450 9.185 -1.001 1.00 0.00 H new ATOM 0 HA GLU A 591 -10.330 6.718 0.100 1.00 0.00 H new ATOM 0 HB2 GLU A 591 -12.423 7.457 -0.508 1.00 0.00 H new ATOM 0 HB3 GLU A 591 -11.566 8.986 -0.496 1.00 0.00 H new ATOM 0 HG2 GLU A 591 -11.124 8.434 -3.043 1.00 0.00 H new ATOM 0 HG3 GLU A 591 -12.487 7.349 -2.848 1.00 0.00 H new ATOM 903 N ARG A 592 -9.396 6.734 -3.015 1.00 0.00 N ATOM 904 CA ARG A 592 -9.139 5.894 -4.179 1.00 0.00 C ATOM 905 C ARG A 592 -8.296 4.680 -3.798 1.00 0.00 C ATOM 906 O ARG A 592 -8.538 3.571 -4.273 1.00 0.00 O ATOM 907 CB ARG A 592 -8.428 6.700 -5.268 1.00 0.00 C ATOM 908 CG ARG A 592 -7.978 5.859 -6.452 1.00 0.00 C ATOM 909 CD ARG A 592 -6.864 6.543 -7.229 1.00 0.00 C ATOM 910 NE ARG A 592 -6.844 6.134 -8.631 1.00 0.00 N ATOM 911 CZ ARG A 592 -6.163 6.776 -9.574 1.00 0.00 C ATOM 912 NH1 ARG A 592 -5.450 7.850 -9.266 1.00 0.00 N ATOM 913 NH2 ARG A 592 -6.195 6.343 -10.828 1.00 0.00 N ATOM 0 H ARG A 592 -8.983 7.665 -3.067 1.00 0.00 H new ATOM 0 HA ARG A 592 -10.097 5.544 -4.562 1.00 0.00 H new ATOM 0 HB2 ARG A 592 -9.097 7.484 -5.623 1.00 0.00 H new ATOM 0 HB3 ARG A 592 -7.559 7.195 -4.833 1.00 0.00 H new ATOM 0 HG2 ARG A 592 -7.633 4.887 -6.099 1.00 0.00 H new ATOM 0 HG3 ARG A 592 -8.825 5.676 -7.113 1.00 0.00 H new ATOM 0 HD2 ARG A 592 -6.991 7.624 -7.168 1.00 0.00 H new ATOM 0 HD3 ARG A 592 -5.904 6.308 -6.769 1.00 0.00 H new ATOM 0 HE ARG A 592 -7.382 5.311 -8.901 1.00 0.00 H new ATOM 0 HH11 ARG A 592 -5.423 8.185 -8.303 1.00 0.00 H new ATOM 0 HH12 ARG A 592 -4.928 8.341 -9.992 1.00 0.00 H new ATOM 0 HH21 ARG A 592 -6.743 5.517 -11.068 1.00 0.00 H new ATOM 0 HH22 ARG A 592 -5.672 6.836 -11.551 1.00 0.00 H new ATOM 927 N ALA A 593 -7.307 4.899 -2.938 1.00 0.00 N ATOM 928 CA ALA A 593 -6.430 3.824 -2.493 1.00 0.00 C ATOM 929 C ALA A 593 -7.178 2.840 -1.599 1.00 0.00 C ATOM 930 O ALA A 593 -6.795 1.675 -1.486 1.00 0.00 O ATOM 931 CB ALA A 593 -5.225 4.395 -1.760 1.00 0.00 C ATOM 0 H ALA A 593 -7.093 5.812 -2.536 1.00 0.00 H new ATOM 0 HA ALA A 593 -6.083 3.283 -3.374 1.00 0.00 H new ATOM 0 HB1 ALA A 593 -4.578 3.581 -1.433 1.00 0.00 H new ATOM 0 HB2 ALA A 593 -4.670 5.053 -2.429 1.00 0.00 H new ATOM 0 HB3 ALA A 593 -5.562 4.961 -0.892 1.00 0.00 H new ATOM 937 N CYS A 594 -8.244 3.316 -0.966 1.00 0.00 N ATOM 938 CA CYS A 594 -9.046 2.478 -0.081 1.00 0.00 C ATOM 939 C CYS A 594 -9.762 1.385 -0.868 1.00 0.00 C ATOM 940 O CYS A 594 -9.708 0.210 -0.506 1.00 0.00 O ATOM 941 CB CYS A 594 -10.065 3.330 0.676 1.00 0.00 C ATOM 942 SG CYS A 594 -9.328 4.584 1.749 1.00 0.00 S ATOM 0 H CYS A 594 -8.573 4.278 -1.049 1.00 0.00 H new ATOM 0 HA CYS A 594 -8.376 2.004 0.636 1.00 0.00 H new ATOM 0 HB2 CYS A 594 -10.718 3.822 -0.045 1.00 0.00 H new ATOM 0 HB3 CYS A 594 -10.693 2.675 1.279 1.00 0.00 H new ATOM 0 HG CYS A 594 -8.790 5.517 1.020 1.00 0.00 H new ATOM 948 N ARG A 595 -10.433 1.781 -1.944 1.00 0.00 N ATOM 949 CA ARG A 595 -11.163 0.836 -2.780 1.00 0.00 C ATOM 950 C ARG A 595 -10.208 -0.152 -3.444 1.00 0.00 C ATOM 951 O ARG A 595 -10.498 -1.344 -3.536 1.00 0.00 O ATOM 952 CB ARG A 595 -11.967 1.581 -3.847 1.00 0.00 C ATOM 953 CG ARG A 595 -13.044 2.488 -3.276 1.00 0.00 C ATOM 954 CD ARG A 595 -13.372 3.629 -4.225 1.00 0.00 C ATOM 955 NE ARG A 595 -14.240 4.626 -3.603 1.00 0.00 N ATOM 956 CZ ARG A 595 -15.540 4.443 -3.398 1.00 0.00 C ATOM 957 NH1 ARG A 595 -16.119 3.308 -3.762 1.00 0.00 N ATOM 958 NH2 ARG A 595 -16.263 5.398 -2.826 1.00 0.00 N ATOM 0 H ARG A 595 -10.486 2.750 -2.258 1.00 0.00 H new ATOM 0 HA ARG A 595 -11.849 0.279 -2.142 1.00 0.00 H new ATOM 0 HB2 ARG A 595 -11.285 2.178 -4.453 1.00 0.00 H new ATOM 0 HB3 ARG A 595 -12.432 0.854 -4.513 1.00 0.00 H new ATOM 0 HG2 ARG A 595 -13.945 1.906 -3.080 1.00 0.00 H new ATOM 0 HG3 ARG A 595 -12.711 2.893 -2.320 1.00 0.00 H new ATOM 0 HD2 ARG A 595 -12.448 4.106 -4.551 1.00 0.00 H new ATOM 0 HD3 ARG A 595 -13.857 3.231 -5.116 1.00 0.00 H new ATOM 0 HE ARG A 595 -13.825 5.511 -3.310 1.00 0.00 H new ATOM 0 HH11 ARG A 595 -15.566 2.572 -4.201 1.00 0.00 H new ATOM 0 HH12 ARG A 595 -17.117 3.171 -3.603 1.00 0.00 H new ATOM 0 HH21 ARG A 595 -15.821 6.273 -2.544 1.00 0.00 H new ATOM 0 HH22 ARG A 595 -17.261 5.257 -2.669 1.00 0.00 H new ATOM 972 N MET A 596 -9.069 0.354 -3.906 1.00 0.00 N ATOM 973 CA MET A 596 -8.072 -0.485 -4.561 1.00 0.00 C ATOM 974 C MET A 596 -7.409 -1.425 -3.559 1.00 0.00 C ATOM 975 O MET A 596 -7.363 -2.637 -3.768 1.00 0.00 O ATOM 976 CB MET A 596 -7.012 0.384 -5.241 1.00 0.00 C ATOM 977 CG MET A 596 -7.568 1.270 -6.344 1.00 0.00 C ATOM 978 SD MET A 596 -6.330 1.700 -7.582 1.00 0.00 S ATOM 979 CE MET A 596 -5.711 3.245 -6.919 1.00 0.00 C ATOM 0 H MET A 596 -8.814 1.339 -3.839 1.00 0.00 H new ATOM 0 HA MET A 596 -8.578 -1.086 -5.316 1.00 0.00 H new ATOM 0 HB2 MET A 596 -6.532 1.011 -4.490 1.00 0.00 H new ATOM 0 HB3 MET A 596 -6.239 -0.261 -5.659 1.00 0.00 H new ATOM 0 HG2 MET A 596 -8.400 0.760 -6.830 1.00 0.00 H new ATOM 0 HG3 MET A 596 -7.968 2.183 -5.904 1.00 0.00 H new ATOM 0 HE1 MET A 596 -4.635 3.305 -7.080 1.00 0.00 H new ATOM 0 HE2 MET A 596 -6.200 4.079 -7.423 1.00 0.00 H new ATOM 0 HE3 MET A 596 -5.921 3.293 -5.851 1.00 0.00 H new ATOM 989 N MET A 597 -6.896 -0.858 -2.472 1.00 0.00 N ATOM 990 CA MET A 597 -6.237 -1.647 -1.438 1.00 0.00 C ATOM 991 C MET A 597 -7.245 -2.512 -0.689 1.00 0.00 C ATOM 992 O MET A 597 -7.253 -3.734 -0.830 1.00 0.00 O ATOM 993 CB MET A 597 -5.505 -0.730 -0.456 1.00 0.00 C ATOM 994 CG MET A 597 -4.294 -0.036 -1.059 1.00 0.00 C ATOM 995 SD MET A 597 -3.174 -1.185 -1.882 1.00 0.00 S ATOM 996 CE MET A 597 -1.638 -0.267 -1.814 1.00 0.00 C ATOM 0 H MET A 597 -6.924 0.144 -2.285 1.00 0.00 H new ATOM 0 HA MET A 597 -5.512 -2.302 -1.922 1.00 0.00 H new ATOM 0 HB2 MET A 597 -6.201 0.025 -0.089 1.00 0.00 H new ATOM 0 HB3 MET A 597 -5.186 -1.316 0.406 1.00 0.00 H new ATOM 0 HG2 MET A 597 -4.629 0.714 -1.775 1.00 0.00 H new ATOM 0 HG3 MET A 597 -3.754 0.492 -0.273 1.00 0.00 H new ATOM 0 HE1 MET A 597 -1.133 -0.331 -2.778 1.00 0.00 H new ATOM 0 HE2 MET A 597 -1.848 0.777 -1.583 1.00 0.00 H new ATOM 0 HE3 MET A 597 -0.997 -0.688 -1.040 1.00 0.00 H new ATOM 1006 N ASN A 598 -8.093 -1.870 0.108 1.00 0.00 N ATOM 1007 CA ASN A 598 -9.105 -2.582 0.880 1.00 0.00 C ATOM 1008 C ASN A 598 -9.618 -3.798 0.114 1.00 0.00 C ATOM 1009 O ASN A 598 -10.442 -3.672 -0.790 1.00 0.00 O ATOM 1010 CB ASN A 598 -10.270 -1.649 1.217 1.00 0.00 C ATOM 1011 CG ASN A 598 -11.165 -2.211 2.304 1.00 0.00 C ATOM 1012 OD1 ASN A 598 -10.964 -3.332 2.771 1.00 0.00 O ATOM 1013 ND2 ASN A 598 -12.161 -1.432 2.711 1.00 0.00 N ATOM 0 H ASN A 598 -8.099 -0.858 0.236 1.00 0.00 H new ATOM 0 HA ASN A 598 -8.644 -2.926 1.806 1.00 0.00 H new ATOM 0 HB2 ASN A 598 -9.878 -0.683 1.536 1.00 0.00 H new ATOM 0 HB3 ASN A 598 -10.861 -1.472 0.319 1.00 0.00 H new ATOM 0 HD21 ASN A 598 -12.797 -1.756 3.439 1.00 0.00 H new ATOM 0 HD22 ASN A 598 -12.290 -0.509 2.295 1.00 0.00 H new ATOM 1020 N GLY A 599 -9.124 -4.975 0.484 1.00 0.00 N ATOM 1021 CA GLY A 599 -9.544 -6.197 -0.177 1.00 0.00 C ATOM 1022 C GLY A 599 -8.374 -6.991 -0.725 1.00 0.00 C ATOM 1023 O GLY A 599 -8.564 -8.016 -1.378 1.00 0.00 O ATOM 0 H GLY A 599 -8.440 -5.104 1.230 1.00 0.00 H new ATOM 0 HA2 GLY A 599 -10.100 -6.815 0.528 1.00 0.00 H new ATOM 0 HA3 GLY A 599 -10.225 -5.950 -0.991 1.00 0.00 H new ATOM 1027 N MET A 600 -7.162 -6.515 -0.461 1.00 0.00 N ATOM 1028 CA MET A 600 -5.957 -7.188 -0.933 1.00 0.00 C ATOM 1029 C MET A 600 -5.329 -8.022 0.179 1.00 0.00 C ATOM 1030 O MET A 600 -5.186 -7.559 1.311 1.00 0.00 O ATOM 1031 CB MET A 600 -4.946 -6.164 -1.452 1.00 0.00 C ATOM 1032 CG MET A 600 -4.150 -5.483 -0.349 1.00 0.00 C ATOM 1033 SD MET A 600 -2.794 -4.482 -0.989 1.00 0.00 S ATOM 1034 CE MET A 600 -2.333 -3.561 0.477 1.00 0.00 C ATOM 0 H MET A 600 -6.988 -5.666 0.077 1.00 0.00 H new ATOM 0 HA MET A 600 -6.239 -7.855 -1.748 1.00 0.00 H new ATOM 0 HB2 MET A 600 -4.255 -6.661 -2.134 1.00 0.00 H new ATOM 0 HB3 MET A 600 -5.474 -5.405 -2.030 1.00 0.00 H new ATOM 0 HG2 MET A 600 -4.817 -4.852 0.238 1.00 0.00 H new ATOM 0 HG3 MET A 600 -3.751 -6.240 0.326 1.00 0.00 H new ATOM 0 HE1 MET A 600 -1.469 -2.934 0.256 1.00 0.00 H new ATOM 0 HE2 MET A 600 -3.167 -2.933 0.789 1.00 0.00 H new ATOM 0 HE3 MET A 600 -2.082 -4.255 1.279 1.00 0.00 H new ATOM 1044 N LYS A 601 -4.957 -9.254 -0.150 1.00 0.00 N ATOM 1045 CA LYS A 601 -4.343 -10.153 0.820 1.00 0.00 C ATOM 1046 C LYS A 601 -2.823 -10.135 0.693 1.00 0.00 C ATOM 1047 O LYS A 601 -2.256 -10.775 -0.193 1.00 0.00 O ATOM 1048 CB LYS A 601 -4.864 -11.579 0.625 1.00 0.00 C ATOM 1049 CG LYS A 601 -6.326 -11.749 1.000 1.00 0.00 C ATOM 1050 CD LYS A 601 -6.658 -13.199 1.310 1.00 0.00 C ATOM 1051 CE LYS A 601 -7.844 -13.309 2.255 1.00 0.00 C ATOM 1052 NZ LYS A 601 -8.514 -14.635 2.152 1.00 0.00 N ATOM 0 H LYS A 601 -5.070 -9.653 -1.082 1.00 0.00 H new ATOM 0 HA LYS A 601 -4.611 -9.807 1.818 1.00 0.00 H new ATOM 0 HB2 LYS A 601 -4.729 -11.867 -0.418 1.00 0.00 H new ATOM 0 HB3 LYS A 601 -4.262 -12.262 1.224 1.00 0.00 H new ATOM 0 HG2 LYS A 601 -6.554 -11.129 1.867 1.00 0.00 H new ATOM 0 HG3 LYS A 601 -6.955 -11.398 0.182 1.00 0.00 H new ATOM 0 HD2 LYS A 601 -6.879 -13.729 0.383 1.00 0.00 H new ATOM 0 HD3 LYS A 601 -5.790 -13.685 1.756 1.00 0.00 H new ATOM 0 HE2 LYS A 601 -7.508 -13.151 3.280 1.00 0.00 H new ATOM 0 HE3 LYS A 601 -8.562 -12.521 2.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 601 -9.317 -14.670 2.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 601 -8.857 -14.776 1.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 601 -7.836 -15.386 2.392 1.00 0.00 H new ATOM 1066 N LEU A 602 -2.169 -9.398 1.584 1.00 0.00 N ATOM 1067 CA LEU A 602 -0.714 -9.298 1.574 1.00 0.00 C ATOM 1068 C LEU A 602 -0.076 -10.563 2.138 1.00 0.00 C ATOM 1069 O LEU A 602 0.142 -10.675 3.344 1.00 0.00 O ATOM 1070 CB LEU A 602 -0.261 -8.080 2.382 1.00 0.00 C ATOM 1071 CG LEU A 602 -0.890 -6.743 1.990 1.00 0.00 C ATOM 1072 CD1 LEU A 602 -0.177 -5.594 2.686 1.00 0.00 C ATOM 1073 CD2 LEU A 602 -0.855 -6.559 0.480 1.00 0.00 C ATOM 0 H LEU A 602 -2.623 -8.861 2.323 1.00 0.00 H new ATOM 0 HA LEU A 602 -0.390 -9.181 0.540 1.00 0.00 H new ATOM 0 HB2 LEU A 602 -0.477 -8.266 3.434 1.00 0.00 H new ATOM 0 HB3 LEU A 602 0.821 -7.990 2.290 1.00 0.00 H new ATOM 0 HG LEU A 602 -1.932 -6.745 2.311 1.00 0.00 H new ATOM 0 HD11 LEU A 602 -0.638 -4.650 2.395 1.00 0.00 H new ATOM 0 HD12 LEU A 602 -0.255 -5.718 3.766 1.00 0.00 H new ATOM 0 HD13 LEU A 602 0.874 -5.589 2.396 1.00 0.00 H new ATOM 0 HD21 LEU A 602 -1.307 -5.602 0.220 1.00 0.00 H new ATOM 0 HD22 LEU A 602 0.179 -6.578 0.135 1.00 0.00 H new ATOM 0 HD23 LEU A 602 -1.412 -7.365 0.002 1.00 0.00 H new ATOM 1085 N SER A 603 0.222 -11.513 1.257 1.00 0.00 N ATOM 1086 CA SER A 603 0.833 -12.772 1.668 1.00 0.00 C ATOM 1087 C SER A 603 -0.185 -13.668 2.367 1.00 0.00 C ATOM 1088 O SER A 603 0.171 -14.497 3.202 1.00 0.00 O ATOM 1089 CB SER A 603 2.019 -12.507 2.597 1.00 0.00 C ATOM 1090 OG SER A 603 2.966 -13.560 2.528 1.00 0.00 O ATOM 0 H SER A 603 0.050 -11.435 0.255 1.00 0.00 H new ATOM 0 HA SER A 603 1.188 -13.285 0.774 1.00 0.00 H new ATOM 0 HB2 SER A 603 2.496 -11.566 2.323 1.00 0.00 H new ATOM 0 HB3 SER A 603 1.665 -12.399 3.622 1.00 0.00 H new ATOM 0 HG SER A 603 3.715 -13.366 3.130 1.00 0.00 H new ATOM 1096 N GLY A 604 -1.456 -13.494 2.017 1.00 0.00 N ATOM 1097 CA GLY A 604 -2.507 -14.293 2.619 1.00 0.00 C ATOM 1098 C GLY A 604 -3.163 -13.596 3.794 1.00 0.00 C ATOM 1099 O GLY A 604 -3.910 -14.215 4.553 1.00 0.00 O ATOM 0 H GLY A 604 -1.776 -12.814 1.327 1.00 0.00 H new ATOM 0 HA2 GLY A 604 -3.263 -14.520 1.867 1.00 0.00 H new ATOM 0 HA3 GLY A 604 -2.091 -15.244 2.951 1.00 0.00 H new ATOM 1103 N ARG A 605 -2.884 -12.306 3.947 1.00 0.00 N ATOM 1104 CA ARG A 605 -3.450 -11.526 5.041 1.00 0.00 C ATOM 1105 C ARG A 605 -4.359 -10.422 4.507 1.00 0.00 C ATOM 1106 O ARG A 605 -3.897 -9.485 3.858 1.00 0.00 O ATOM 1107 CB ARG A 605 -2.335 -10.916 5.891 1.00 0.00 C ATOM 1108 CG ARG A 605 -1.615 -11.927 6.768 1.00 0.00 C ATOM 1109 CD ARG A 605 -1.094 -11.287 8.045 1.00 0.00 C ATOM 1110 NE ARG A 605 -0.734 -12.284 9.050 1.00 0.00 N ATOM 1111 CZ ARG A 605 -1.616 -13.077 9.647 1.00 0.00 C ATOM 1112 NH1 ARG A 605 -2.904 -12.991 9.342 1.00 0.00 N ATOM 1113 NH2 ARG A 605 -1.211 -13.960 10.551 1.00 0.00 N ATOM 0 H ARG A 605 -2.269 -11.779 3.327 1.00 0.00 H new ATOM 0 HA ARG A 605 -4.045 -12.196 5.662 1.00 0.00 H new ATOM 0 HB2 ARG A 605 -1.610 -10.436 5.234 1.00 0.00 H new ATOM 0 HB3 ARG A 605 -2.758 -10.135 6.523 1.00 0.00 H new ATOM 0 HG2 ARG A 605 -2.295 -12.741 7.019 1.00 0.00 H new ATOM 0 HG3 ARG A 605 -0.784 -12.364 6.214 1.00 0.00 H new ATOM 0 HD2 ARG A 605 -0.223 -10.674 7.814 1.00 0.00 H new ATOM 0 HD3 ARG A 605 -1.854 -10.620 8.452 1.00 0.00 H new ATOM 0 HE ARG A 605 0.249 -12.376 9.307 1.00 0.00 H new ATOM 0 HH11 ARG A 605 -3.219 -12.314 8.647 1.00 0.00 H new ATOM 0 HH12 ARG A 605 -3.579 -13.602 9.802 1.00 0.00 H new ATOM 0 HH21 ARG A 605 -0.221 -14.030 10.788 1.00 0.00 H new ATOM 0 HH22 ARG A 605 -1.889 -14.569 11.009 1.00 0.00 H new ATOM 1127 N GLU A 606 -5.654 -10.542 4.786 1.00 0.00 N ATOM 1128 CA GLU A 606 -6.627 -9.556 4.333 1.00 0.00 C ATOM 1129 C GLU A 606 -6.561 -8.294 5.189 1.00 0.00 C ATOM 1130 O GLU A 606 -6.298 -8.360 6.390 1.00 0.00 O ATOM 1131 CB GLU A 606 -8.039 -10.142 4.376 1.00 0.00 C ATOM 1132 CG GLU A 606 -8.952 -9.612 3.284 1.00 0.00 C ATOM 1133 CD GLU A 606 -10.412 -9.604 3.696 1.00 0.00 C ATOM 1134 OE1 GLU A 606 -10.747 -8.903 4.674 1.00 0.00 O ATOM 1135 OE2 GLU A 606 -11.217 -10.298 3.042 1.00 0.00 O ATOM 0 H GLU A 606 -6.052 -11.312 5.323 1.00 0.00 H new ATOM 0 HA GLU A 606 -6.384 -9.290 3.304 1.00 0.00 H new ATOM 0 HB2 GLU A 606 -7.976 -11.227 4.290 1.00 0.00 H new ATOM 0 HB3 GLU A 606 -8.484 -9.925 5.347 1.00 0.00 H new ATOM 0 HG2 GLU A 606 -8.647 -8.599 3.021 1.00 0.00 H new ATOM 0 HG3 GLU A 606 -8.834 -10.223 2.389 1.00 0.00 H new ATOM 1142 N ILE A 607 -6.802 -7.148 4.562 1.00 0.00 N ATOM 1143 CA ILE A 607 -6.772 -5.872 5.266 1.00 0.00 C ATOM 1144 C ILE A 607 -8.009 -5.039 4.949 1.00 0.00 C ATOM 1145 O ILE A 607 -8.637 -5.214 3.905 1.00 0.00 O ATOM 1146 CB ILE A 607 -5.514 -5.059 4.904 1.00 0.00 C ATOM 1147 CG1 ILE A 607 -5.207 -5.191 3.411 1.00 0.00 C ATOM 1148 CG2 ILE A 607 -4.328 -5.521 5.737 1.00 0.00 C ATOM 1149 CD1 ILE A 607 -3.921 -4.512 2.996 1.00 0.00 C ATOM 0 H ILE A 607 -7.020 -7.077 3.568 1.00 0.00 H new ATOM 0 HA ILE A 607 -6.754 -6.101 6.332 1.00 0.00 H new ATOM 0 HB ILE A 607 -5.702 -4.008 5.125 1.00 0.00 H new ATOM 0 HG12 ILE A 607 -5.150 -6.248 3.152 1.00 0.00 H new ATOM 0 HG13 ILE A 607 -6.033 -4.767 2.840 1.00 0.00 H new ATOM 0 HG21 ILE A 607 -3.447 -4.938 5.470 1.00 0.00 H new ATOM 0 HG22 ILE A 607 -4.550 -5.380 6.795 1.00 0.00 H new ATOM 0 HG23 ILE A 607 -4.137 -6.576 5.544 1.00 0.00 H new ATOM 0 HD11 ILE A 607 -3.768 -4.647 1.925 1.00 0.00 H new ATOM 0 HD12 ILE A 607 -3.982 -3.448 3.223 1.00 0.00 H new ATOM 0 HD13 ILE A 607 -3.085 -4.952 3.540 1.00 0.00 H new ATOM 1161 N ASP A 608 -8.354 -4.133 5.857 1.00 0.00 N ATOM 1162 CA ASP A 608 -9.515 -3.270 5.674 1.00 0.00 C ATOM 1163 C ASP A 608 -9.106 -1.800 5.675 1.00 0.00 C ATOM 1164 O ASP A 608 -8.942 -1.191 6.732 1.00 0.00 O ATOM 1165 CB ASP A 608 -10.546 -3.526 6.774 1.00 0.00 C ATOM 1166 CG ASP A 608 -11.581 -2.422 6.866 1.00 0.00 C ATOM 1167 OD1 ASP A 608 -12.481 -2.379 6.001 1.00 0.00 O ATOM 1168 OD2 ASP A 608 -11.492 -1.600 7.802 1.00 0.00 O ATOM 0 H ASP A 608 -7.846 -3.977 6.728 1.00 0.00 H new ATOM 0 HA ASP A 608 -9.961 -3.503 4.707 1.00 0.00 H new ATOM 0 HB2 ASP A 608 -11.047 -4.475 6.584 1.00 0.00 H new ATOM 0 HB3 ASP A 608 -10.035 -3.621 7.732 1.00 0.00 H new ATOM 1173 N VAL A 609 -8.942 -1.236 4.482 1.00 0.00 N ATOM 1174 CA VAL A 609 -8.552 0.162 4.345 1.00 0.00 C ATOM 1175 C VAL A 609 -9.775 1.066 4.239 1.00 0.00 C ATOM 1176 O VAL A 609 -10.541 0.981 3.279 1.00 0.00 O ATOM 1177 CB VAL A 609 -7.659 0.377 3.109 1.00 0.00 C ATOM 1178 CG1 VAL A 609 -7.058 1.775 3.120 1.00 0.00 C ATOM 1179 CG2 VAL A 609 -6.568 -0.681 3.049 1.00 0.00 C ATOM 0 H VAL A 609 -9.073 -1.726 3.597 1.00 0.00 H new ATOM 0 HA VAL A 609 -7.988 0.423 5.241 1.00 0.00 H new ATOM 0 HB VAL A 609 -8.276 0.280 2.216 1.00 0.00 H new ATOM 0 HG11 VAL A 609 -6.430 1.908 2.239 1.00 0.00 H new ATOM 0 HG12 VAL A 609 -7.858 2.515 3.111 1.00 0.00 H new ATOM 0 HG13 VAL A 609 -6.455 1.905 4.018 1.00 0.00 H new ATOM 0 HG21 VAL A 609 -5.947 -0.513 2.169 1.00 0.00 H new ATOM 0 HG22 VAL A 609 -5.952 -0.619 3.946 1.00 0.00 H new ATOM 0 HG23 VAL A 609 -7.023 -1.670 2.989 1.00 0.00 H new ATOM 1189 N ARG A 610 -9.953 1.931 5.232 1.00 0.00 N ATOM 1190 CA ARG A 610 -11.083 2.851 5.251 1.00 0.00 C ATOM 1191 C ARG A 610 -10.609 4.293 5.413 1.00 0.00 C ATOM 1192 O ARG A 610 -9.543 4.546 5.974 1.00 0.00 O ATOM 1193 CB ARG A 610 -12.045 2.489 6.384 1.00 0.00 C ATOM 1194 CG ARG A 610 -12.421 1.016 6.416 1.00 0.00 C ATOM 1195 CD ARG A 610 -13.038 0.570 5.100 1.00 0.00 C ATOM 1196 NE ARG A 610 -13.999 -0.514 5.286 1.00 0.00 N ATOM 1197 CZ ARG A 610 -15.149 -0.374 5.936 1.00 0.00 C ATOM 1198 NH1 ARG A 610 -15.480 0.799 6.459 1.00 0.00 N ATOM 1199 NH2 ARG A 610 -15.971 -1.408 6.063 1.00 0.00 N ATOM 0 H ARG A 610 -9.329 2.014 6.034 1.00 0.00 H new ATOM 0 HA ARG A 610 -11.605 2.763 4.298 1.00 0.00 H new ATOM 0 HB2 ARG A 610 -11.590 2.760 7.337 1.00 0.00 H new ATOM 0 HB3 ARG A 610 -12.952 3.085 6.283 1.00 0.00 H new ATOM 0 HG2 ARG A 610 -11.534 0.417 6.625 1.00 0.00 H new ATOM 0 HG3 ARG A 610 -13.125 0.837 7.229 1.00 0.00 H new ATOM 0 HD2 ARG A 610 -13.534 1.417 4.627 1.00 0.00 H new ATOM 0 HD3 ARG A 610 -12.249 0.243 4.422 1.00 0.00 H new ATOM 0 HE ARG A 610 -13.775 -1.429 4.895 1.00 0.00 H new ATOM 0 HH11 ARG A 610 -14.851 1.596 6.363 1.00 0.00 H new ATOM 0 HH12 ARG A 610 -16.364 0.904 6.958 1.00 0.00 H new ATOM 0 HH21 ARG A 610 -15.720 -2.311 5.661 1.00 0.00 H new ATOM 0 HH22 ARG A 610 -16.854 -1.299 6.562 1.00 0.00 H new ATOM 1213 N ILE A 611 -11.408 5.232 4.919 1.00 0.00 N ATOM 1214 CA ILE A 611 -11.071 6.647 5.010 1.00 0.00 C ATOM 1215 C ILE A 611 -11.189 7.149 6.445 1.00 0.00 C ATOM 1216 O ILE A 611 -12.281 7.190 7.011 1.00 0.00 O ATOM 1217 CB ILE A 611 -11.975 7.501 4.103 1.00 0.00 C ATOM 1218 CG1 ILE A 611 -11.566 7.338 2.638 1.00 0.00 C ATOM 1219 CG2 ILE A 611 -11.911 8.964 4.516 1.00 0.00 C ATOM 1220 CD1 ILE A 611 -10.341 8.141 2.260 1.00 0.00 C ATOM 0 H ILE A 611 -12.294 5.039 4.451 1.00 0.00 H new ATOM 0 HA ILE A 611 -10.038 6.747 4.676 1.00 0.00 H new ATOM 0 HB ILE A 611 -13.003 7.157 4.214 1.00 0.00 H new ATOM 0 HG12 ILE A 611 -11.376 6.284 2.437 1.00 0.00 H new ATOM 0 HG13 ILE A 611 -12.398 7.638 2.001 1.00 0.00 H new ATOM 0 HG21 ILE A 611 -12.556 9.554 3.865 1.00 0.00 H new ATOM 0 HG22 ILE A 611 -12.247 9.066 5.548 1.00 0.00 H new ATOM 0 HG23 ILE A 611 -10.885 9.321 4.431 1.00 0.00 H new ATOM 0 HD11 ILE A 611 -10.109 7.977 1.208 1.00 0.00 H new ATOM 0 HD12 ILE A 611 -10.534 9.200 2.428 1.00 0.00 H new ATOM 0 HD13 ILE A 611 -9.496 7.825 2.871 1.00 0.00 H new ATOM 1232 N ASP A 612 -10.058 7.532 7.027 1.00 0.00 N ATOM 1233 CA ASP A 612 -10.035 8.035 8.396 1.00 0.00 C ATOM 1234 C ASP A 612 -10.383 9.520 8.435 1.00 0.00 C ATOM 1235 O ASP A 612 -9.608 10.362 7.980 1.00 0.00 O ATOM 1236 CB ASP A 612 -8.659 7.804 9.023 1.00 0.00 C ATOM 1237 CG ASP A 612 -8.727 7.661 10.531 1.00 0.00 C ATOM 1238 OD1 ASP A 612 -8.745 8.699 11.225 1.00 0.00 O ATOM 1239 OD2 ASP A 612 -8.761 6.511 11.017 1.00 0.00 O ATOM 0 H ASP A 612 -9.145 7.504 6.573 1.00 0.00 H new ATOM 0 HA ASP A 612 -10.784 7.490 8.971 1.00 0.00 H new ATOM 0 HB2 ASP A 612 -8.214 6.905 8.595 1.00 0.00 H new ATOM 0 HB3 ASP A 612 -8.003 8.636 8.769 1.00 0.00 H new ATOM 1244 N ARG A 613 -11.553 9.834 8.981 1.00 0.00 N ATOM 1245 CA ARG A 613 -12.004 11.217 9.077 1.00 0.00 C ATOM 1246 C ARG A 613 -11.673 11.803 10.447 1.00 0.00 C ATOM 1247 O ARG A 613 -12.529 11.870 11.327 1.00 0.00 O ATOM 1248 CB ARG A 613 -13.511 11.303 8.825 1.00 0.00 C ATOM 1249 CG ARG A 613 -14.291 10.126 9.388 1.00 0.00 C ATOM 1250 CD ARG A 613 -14.355 8.975 8.397 1.00 0.00 C ATOM 1251 NE ARG A 613 -15.510 9.079 7.510 1.00 0.00 N ATOM 1252 CZ ARG A 613 -16.754 8.804 7.888 1.00 0.00 C ATOM 1253 NH1 ARG A 613 -17.001 8.410 9.129 1.00 0.00 N ATOM 1254 NH2 ARG A 613 -17.753 8.923 7.023 1.00 0.00 N ATOM 0 H ARG A 613 -12.206 9.150 9.364 1.00 0.00 H new ATOM 0 HA ARG A 613 -11.481 11.797 8.316 1.00 0.00 H new ATOM 0 HB2 ARG A 613 -13.892 12.224 9.265 1.00 0.00 H new ATOM 0 HB3 ARG A 613 -13.688 11.365 7.751 1.00 0.00 H new ATOM 0 HG2 ARG A 613 -13.823 9.786 10.312 1.00 0.00 H new ATOM 0 HG3 ARG A 613 -15.302 10.446 9.642 1.00 0.00 H new ATOM 0 HD2 ARG A 613 -13.442 8.958 7.802 1.00 0.00 H new ATOM 0 HD3 ARG A 613 -14.399 8.031 8.940 1.00 0.00 H new ATOM 0 HE ARG A 613 -15.354 9.379 6.548 1.00 0.00 H new ATOM 0 HH11 ARG A 613 -16.235 8.317 9.797 1.00 0.00 H new ATOM 0 HH12 ARG A 613 -17.957 8.200 9.417 1.00 0.00 H new ATOM 0 HH21 ARG A 613 -17.566 9.226 6.067 1.00 0.00 H new ATOM 0 HH22 ARG A 613 -18.707 8.712 7.314 1.00 0.00 H new ATOM 1268 N ASN A 614 -10.424 12.225 10.618 1.00 0.00 N ATOM 1269 CA ASN A 614 -9.980 12.804 11.880 1.00 0.00 C ATOM 1270 C ASN A 614 -11.047 13.727 12.461 1.00 0.00 C ATOM 1271 O ASN A 614 -11.383 13.638 13.642 1.00 0.00 O ATOM 1272 CB ASN A 614 -8.675 13.577 11.679 1.00 0.00 C ATOM 1273 CG ASN A 614 -8.867 14.827 10.841 1.00 0.00 C ATOM 1274 OD1 ASN A 614 -8.840 14.773 9.612 1.00 0.00 O ATOM 1275 ND2 ASN A 614 -9.060 15.960 11.505 1.00 0.00 N ATOM 0 H ASN A 614 -9.702 12.177 9.899 1.00 0.00 H new ATOM 0 HA ASN A 614 -9.808 11.990 12.584 1.00 0.00 H new ATOM 0 HB2 ASN A 614 -8.266 13.854 12.651 1.00 0.00 H new ATOM 0 HB3 ASN A 614 -7.942 12.929 11.198 1.00 0.00 H new ATOM 0 HD21 ASN A 614 -9.194 16.833 10.995 1.00 0.00 H new ATOM 0 HD22 ASN A 614 -9.075 15.957 12.525 1.00 0.00 H new ATOM 1282 N ALA A 615 -11.575 14.613 11.623 1.00 0.00 N ATOM 1283 CA ALA A 615 -12.605 15.550 12.052 1.00 0.00 C ATOM 1284 C ALA A 615 -13.958 15.194 11.446 1.00 0.00 C ATOM 1285 O ALA A 615 -14.047 14.353 10.551 1.00 0.00 O ATOM 1286 CB ALA A 615 -12.214 16.972 11.677 1.00 0.00 C ATOM 0 H ALA A 615 -11.306 14.701 10.643 1.00 0.00 H new ATOM 0 HA ALA A 615 -12.693 15.483 13.136 1.00 0.00 H new ATOM 0 HB1 ALA A 615 -12.993 17.662 12.003 1.00 0.00 H new ATOM 0 HB2 ALA A 615 -11.273 17.231 12.163 1.00 0.00 H new ATOM 0 HB3 ALA A 615 -12.096 17.044 10.596 1.00 0.00 H new ATOM 1292 N SER A 616 -15.011 15.839 11.939 1.00 0.00 N ATOM 1293 CA SER A 616 -16.361 15.587 11.449 1.00 0.00 C ATOM 1294 C SER A 616 -16.747 16.599 10.375 1.00 0.00 C ATOM 1295 O SER A 616 -17.208 17.698 10.679 1.00 0.00 O ATOM 1296 CB SER A 616 -17.364 15.642 12.603 1.00 0.00 C ATOM 1297 OG SER A 616 -17.279 16.877 13.293 1.00 0.00 O ATOM 0 H SER A 616 -14.955 16.540 12.678 1.00 0.00 H new ATOM 0 HA SER A 616 -16.381 14.590 11.008 1.00 0.00 H new ATOM 0 HB2 SER A 616 -18.374 15.506 12.218 1.00 0.00 H new ATOM 0 HB3 SER A 616 -17.173 14.821 13.295 1.00 0.00 H new ATOM 0 HG SER A 616 -17.222 17.610 12.645 1.00 0.00 H new ATOM 1303 N GLY A 617 -16.554 16.219 9.115 1.00 0.00 N ATOM 1304 CA GLY A 617 -16.886 17.104 8.014 1.00 0.00 C ATOM 1305 C GLY A 617 -17.272 16.348 6.759 1.00 0.00 C ATOM 1306 O GLY A 617 -16.885 15.196 6.558 1.00 0.00 O ATOM 0 H GLY A 617 -16.174 15.314 8.838 1.00 0.00 H new ATOM 0 HA2 GLY A 617 -17.709 17.754 8.310 1.00 0.00 H new ATOM 0 HA3 GLY A 617 -16.033 17.747 7.799 1.00 0.00 H new ATOM 1310 N PRO A 618 -18.054 17.001 5.886 1.00 0.00 N ATOM 1311 CA PRO A 618 -18.510 16.401 4.629 1.00 0.00 C ATOM 1312 C PRO A 618 -17.375 16.222 3.627 1.00 0.00 C ATOM 1313 O PRO A 618 -17.261 15.179 2.983 1.00 0.00 O ATOM 1314 CB PRO A 618 -19.532 17.412 4.104 1.00 0.00 C ATOM 1315 CG PRO A 618 -19.127 18.711 4.712 1.00 0.00 C ATOM 1316 CD PRO A 618 -18.553 18.375 6.060 1.00 0.00 C ATOM 0 HA PRO A 618 -18.917 15.401 4.779 1.00 0.00 H new ATOM 0 HB2 PRO A 618 -19.516 17.462 3.015 1.00 0.00 H new ATOM 0 HB3 PRO A 618 -20.546 17.138 4.395 1.00 0.00 H new ATOM 0 HG2 PRO A 618 -18.391 19.220 4.090 1.00 0.00 H new ATOM 0 HG3 PRO A 618 -19.982 19.381 4.808 1.00 0.00 H new ATOM 0 HD2 PRO A 618 -17.753 19.061 6.338 1.00 0.00 H new ATOM 0 HD3 PRO A 618 -19.308 18.432 6.844 1.00 0.00 H new ATOM 1324 N SER A 619 -16.536 17.246 3.500 1.00 0.00 N ATOM 1325 CA SER A 619 -15.411 17.202 2.573 1.00 0.00 C ATOM 1326 C SER A 619 -15.793 16.472 1.289 1.00 0.00 C ATOM 1327 O SER A 619 -15.021 15.670 0.765 1.00 0.00 O ATOM 1328 CB SER A 619 -14.211 16.514 3.227 1.00 0.00 C ATOM 1329 OG SER A 619 -14.534 15.192 3.621 1.00 0.00 O ATOM 0 H SER A 619 -16.614 18.116 4.027 1.00 0.00 H new ATOM 0 HA SER A 619 -15.140 18.227 2.320 1.00 0.00 H new ATOM 0 HB2 SER A 619 -13.374 16.495 2.529 1.00 0.00 H new ATOM 0 HB3 SER A 619 -13.888 17.087 4.096 1.00 0.00 H new ATOM 0 HG SER A 619 -13.750 14.773 4.035 1.00 0.00 H new ATOM 1335 N SER A 620 -16.991 16.755 0.788 1.00 0.00 N ATOM 1336 CA SER A 620 -17.479 16.123 -0.432 1.00 0.00 C ATOM 1337 C SER A 620 -16.731 16.650 -1.653 1.00 0.00 C ATOM 1338 O SER A 620 -16.655 17.858 -1.875 1.00 0.00 O ATOM 1339 CB SER A 620 -18.980 16.369 -0.594 1.00 0.00 C ATOM 1340 OG SER A 620 -19.514 15.587 -1.648 1.00 0.00 O ATOM 0 H SER A 620 -17.642 17.418 1.208 1.00 0.00 H new ATOM 0 HA SER A 620 -17.301 15.051 -0.353 1.00 0.00 H new ATOM 0 HB2 SER A 620 -19.494 16.129 0.337 1.00 0.00 H new ATOM 0 HB3 SER A 620 -19.159 17.425 -0.794 1.00 0.00 H new ATOM 0 HG SER A 620 -20.475 15.761 -1.730 1.00 0.00 H new ATOM 1346 N GLY A 621 -16.180 15.734 -2.443 1.00 0.00 N ATOM 1347 CA GLY A 621 -15.444 16.124 -3.631 1.00 0.00 C ATOM 1348 C GLY A 621 -16.151 15.719 -4.910 1.00 0.00 C ATOM 1349 O GLY A 621 -15.532 15.177 -5.824 1.00 0.00 O ATOM 0 H GLY A 621 -16.230 14.728 -2.281 1.00 0.00 H new ATOM 0 HA2 GLY A 621 -15.299 17.204 -3.626 1.00 0.00 H new ATOM 0 HA3 GLY A 621 -14.454 15.669 -3.607 1.00 0.00 H new TER 1353 GLY A 621