USER MOD reduce.3.24.130724 H: found=0, std=0, add=672, rem=0, adj=23 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 597 MET CE :methyl -114:sc= -1.48 (180deg=-3.55!) USER MOD Set 1.2: A 600 MET CE :methyl 144:sc= -4.08! (180deg=-6.47!) USER MOD Set 2.1: A 561 CYS SG : rot 116:sc= -0.653 USER MOD Set 2.2: A 596 MET CE :methyl -121:sc= -1.97! (180deg=-5.66!) USER MOD Set 3.1: A 573 ASN : amide:sc= -1.12 K(o=-1.3,f=-4.8!) USER MOD Set 3.2: A 575 LYS NZ :NH3+ -143:sc= -0.202 (180deg=-2.14!) USER MOD Set 3.3: A 577 LYS NZ :NH3+ -121:sc= 0 (180deg=0) USER MOD Single : A 534 SER OG : rot 180:sc= 0 USER MOD Single : A 535 SER OG : rot 180:sc= 0 USER MOD Single : A 537 SER OG : rot -119:sc= 0.65 USER MOD Single : A 538 SER OG : rot 180:sc= -0.58 USER MOD Single : A 544 ASN : amide:sc= -2.4! X(o=-2.4!,f=-2.2) USER MOD Single : A 550 THR OG1 : rot 180:sc= 0 USER MOD Single : A 552 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 553 MET CE :methyl -151:sc= -2.41 (180deg=-4.99!) USER MOD Single : A 555 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 557 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 559 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 563 HIS : no HE2:sc= -2.24 K(o=-2.2,f=-0.94) USER MOD Single : A 566 TYR OH : rot 180:sc= 0 USER MOD Single : A 570 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 571 MET CE :methyl -156:sc= -0.184 (180deg=-0.754) USER MOD Single : A 576 SER OG : rot 180:sc= 0 USER MOD Single : A 579 CYS SG : rot 180:sc= -1.78 USER MOD Single : A 583 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 586 SER OG : rot 180:sc= 0 USER MOD Single : A 594 CYS SG : rot 140:sc= -5.98! USER MOD Single : A 598 ASN : amide:sc= -0.969 K(o=-0.97,f=-6.8!) USER MOD Single : A 601 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 603 SER OG : rot 180:sc= 0 USER MOD Single : A 614 ASN : amide:sc= -1.85! C(o=-1.8!,f=-4.6!) USER MOD Single : A 616 SER OG : rot 180:sc= 0 USER MOD Single : A 619 SER OG : rot 19:sc= 0.197! USER MOD Single : A 620 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 533 -13.955 23.906 0.319 1.00 0.00 N ATOM 2 CA GLY A 533 -12.678 23.988 1.005 1.00 0.00 C ATOM 3 C GLY A 533 -12.079 22.623 1.280 1.00 0.00 C ATOM 4 O GLY A 533 -12.791 21.686 1.642 1.00 0.00 O ATOM 0 HA2 GLY A 533 -11.982 24.572 0.403 1.00 0.00 H new ATOM 0 HA3 GLY A 533 -12.809 24.521 1.947 1.00 0.00 H new ATOM 8 N SER A 534 -10.767 22.508 1.105 1.00 0.00 N ATOM 9 CA SER A 534 -10.073 21.246 1.331 1.00 0.00 C ATOM 10 C SER A 534 -9.378 21.243 2.690 1.00 0.00 C ATOM 11 O SER A 534 -8.975 22.291 3.195 1.00 0.00 O ATOM 12 CB SER A 534 -9.049 20.997 0.222 1.00 0.00 C ATOM 13 OG SER A 534 -8.816 19.610 0.045 1.00 0.00 O ATOM 0 H SER A 534 -10.163 23.274 0.807 1.00 0.00 H new ATOM 0 HA SER A 534 -10.813 20.446 1.319 1.00 0.00 H new ATOM 0 HB2 SER A 534 -9.407 21.431 -0.712 1.00 0.00 H new ATOM 0 HB3 SER A 534 -8.113 21.498 0.468 1.00 0.00 H new ATOM 0 HG SER A 534 -8.159 19.477 -0.670 1.00 0.00 H new ATOM 19 N SER A 535 -9.243 20.058 3.276 1.00 0.00 N ATOM 20 CA SER A 535 -8.601 19.918 4.578 1.00 0.00 C ATOM 21 C SER A 535 -7.157 19.451 4.424 1.00 0.00 C ATOM 22 O SER A 535 -6.693 18.579 5.157 1.00 0.00 O ATOM 23 CB SER A 535 -9.379 18.929 5.449 1.00 0.00 C ATOM 24 OG SER A 535 -10.703 19.380 5.674 1.00 0.00 O ATOM 0 H SER A 535 -9.569 19.181 2.870 1.00 0.00 H new ATOM 0 HA SER A 535 -8.599 20.895 5.062 1.00 0.00 H new ATOM 0 HB2 SER A 535 -9.401 17.953 4.965 1.00 0.00 H new ATOM 0 HB3 SER A 535 -8.868 18.800 6.403 1.00 0.00 H new ATOM 0 HG SER A 535 -11.180 18.730 6.231 1.00 0.00 H new ATOM 30 N GLY A 536 -6.450 20.040 3.464 1.00 0.00 N ATOM 31 CA GLY A 536 -5.066 19.672 3.230 1.00 0.00 C ATOM 32 C GLY A 536 -4.930 18.310 2.580 1.00 0.00 C ATOM 33 O GLY A 536 -4.822 18.206 1.358 1.00 0.00 O ATOM 0 H GLY A 536 -6.811 20.765 2.844 1.00 0.00 H new ATOM 0 HA2 GLY A 536 -4.596 20.423 2.595 1.00 0.00 H new ATOM 0 HA3 GLY A 536 -4.528 19.674 4.178 1.00 0.00 H new ATOM 37 N SER A 537 -4.933 17.262 3.398 1.00 0.00 N ATOM 38 CA SER A 537 -4.804 15.899 2.895 1.00 0.00 C ATOM 39 C SER A 537 -5.369 14.896 3.896 1.00 0.00 C ATOM 40 O SER A 537 -4.884 14.784 5.021 1.00 0.00 O ATOM 41 CB SER A 537 -3.336 15.577 2.606 1.00 0.00 C ATOM 42 OG SER A 537 -2.849 16.350 1.523 1.00 0.00 O ATOM 0 H SER A 537 -5.023 17.331 4.412 1.00 0.00 H new ATOM 0 HA SER A 537 -5.374 15.823 1.969 1.00 0.00 H new ATOM 0 HB2 SER A 537 -2.736 15.772 3.495 1.00 0.00 H new ATOM 0 HB3 SER A 537 -3.231 14.517 2.376 1.00 0.00 H new ATOM 0 HG SER A 537 -2.556 15.755 0.802 1.00 0.00 H new ATOM 48 N SER A 538 -6.398 14.167 3.476 1.00 0.00 N ATOM 49 CA SER A 538 -7.033 13.174 4.335 1.00 0.00 C ATOM 50 C SER A 538 -6.222 11.882 4.364 1.00 0.00 C ATOM 51 O SER A 538 -5.918 11.303 3.322 1.00 0.00 O ATOM 52 CB SER A 538 -8.456 12.886 3.852 1.00 0.00 C ATOM 53 OG SER A 538 -8.451 11.975 2.766 1.00 0.00 O ATOM 0 H SER A 538 -6.810 14.245 2.546 1.00 0.00 H new ATOM 0 HA SER A 538 -7.075 13.578 5.346 1.00 0.00 H new ATOM 0 HB2 SER A 538 -9.046 12.476 4.672 1.00 0.00 H new ATOM 0 HB3 SER A 538 -8.936 13.816 3.548 1.00 0.00 H new ATOM 0 HG SER A 538 -9.372 11.806 2.477 1.00 0.00 H new ATOM 59 N GLY A 539 -5.874 11.436 5.567 1.00 0.00 N ATOM 60 CA GLY A 539 -5.101 10.216 5.711 1.00 0.00 C ATOM 61 C GLY A 539 -5.968 9.015 6.030 1.00 0.00 C ATOM 62 O GLY A 539 -6.795 9.062 6.941 1.00 0.00 O ATOM 0 H GLY A 539 -6.113 11.898 6.444 1.00 0.00 H new ATOM 0 HA2 GLY A 539 -4.550 10.028 4.790 1.00 0.00 H new ATOM 0 HA3 GLY A 539 -4.363 10.348 6.502 1.00 0.00 H new ATOM 66 N ILE A 540 -5.782 7.936 5.276 1.00 0.00 N ATOM 67 CA ILE A 540 -6.554 6.718 5.483 1.00 0.00 C ATOM 68 C ILE A 540 -5.947 5.863 6.590 1.00 0.00 C ATOM 69 O ILE A 540 -4.957 6.246 7.213 1.00 0.00 O ATOM 70 CB ILE A 540 -6.642 5.881 4.193 1.00 0.00 C ATOM 71 CG1 ILE A 540 -5.283 5.253 3.874 1.00 0.00 C ATOM 72 CG2 ILE A 540 -7.119 6.743 3.034 1.00 0.00 C ATOM 73 CD1 ILE A 540 -5.354 4.156 2.835 1.00 0.00 C ATOM 0 H ILE A 540 -5.103 7.881 4.517 1.00 0.00 H new ATOM 0 HA ILE A 540 -7.558 7.027 5.775 1.00 0.00 H new ATOM 0 HB ILE A 540 -7.365 5.080 4.345 1.00 0.00 H new ATOM 0 HG12 ILE A 540 -4.605 6.031 3.523 1.00 0.00 H new ATOM 0 HG13 ILE A 540 -4.855 4.847 4.791 1.00 0.00 H new ATOM 0 HG21 ILE A 540 -7.176 6.137 2.130 1.00 0.00 H new ATOM 0 HG22 ILE A 540 -8.105 7.147 3.263 1.00 0.00 H new ATOM 0 HG23 ILE A 540 -6.418 7.563 2.878 1.00 0.00 H new ATOM 0 HD11 ILE A 540 -4.355 3.757 2.659 1.00 0.00 H new ATOM 0 HD12 ILE A 540 -6.006 3.359 3.192 1.00 0.00 H new ATOM 0 HD13 ILE A 540 -5.752 4.561 1.905 1.00 0.00 H new ATOM 85 N PHE A 541 -6.547 4.701 6.830 1.00 0.00 N ATOM 86 CA PHE A 541 -6.064 3.790 7.861 1.00 0.00 C ATOM 87 C PHE A 541 -6.134 2.342 7.384 1.00 0.00 C ATOM 88 O PHE A 541 -7.011 1.976 6.602 1.00 0.00 O ATOM 89 CB PHE A 541 -6.885 3.957 9.142 1.00 0.00 C ATOM 90 CG PHE A 541 -6.124 3.609 10.390 1.00 0.00 C ATOM 91 CD1 PHE A 541 -5.934 2.286 10.755 1.00 0.00 C ATOM 92 CD2 PHE A 541 -5.601 4.605 11.199 1.00 0.00 C ATOM 93 CE1 PHE A 541 -5.234 1.963 11.903 1.00 0.00 C ATOM 94 CE2 PHE A 541 -4.901 4.288 12.347 1.00 0.00 C ATOM 95 CZ PHE A 541 -4.718 2.965 12.700 1.00 0.00 C ATOM 0 H PHE A 541 -7.368 4.369 6.324 1.00 0.00 H new ATOM 0 HA PHE A 541 -5.023 4.035 8.069 1.00 0.00 H new ATOM 0 HB2 PHE A 541 -7.230 4.989 9.212 1.00 0.00 H new ATOM 0 HB3 PHE A 541 -7.773 3.328 9.080 1.00 0.00 H new ATOM 0 HD1 PHE A 541 -6.337 1.498 10.136 1.00 0.00 H new ATOM 0 HD2 PHE A 541 -5.742 5.641 10.929 1.00 0.00 H new ATOM 0 HE1 PHE A 541 -5.091 0.928 12.176 1.00 0.00 H new ATOM 0 HE2 PHE A 541 -4.497 5.074 12.968 1.00 0.00 H new ATOM 0 HZ PHE A 541 -4.172 2.715 13.598 1.00 0.00 H new ATOM 105 N VAL A 542 -5.202 1.523 7.861 1.00 0.00 N ATOM 106 CA VAL A 542 -5.156 0.115 7.485 1.00 0.00 C ATOM 107 C VAL A 542 -4.960 -0.774 8.707 1.00 0.00 C ATOM 108 O VAL A 542 -4.251 -0.409 9.645 1.00 0.00 O ATOM 109 CB VAL A 542 -4.025 -0.160 6.476 1.00 0.00 C ATOM 110 CG1 VAL A 542 -4.124 -1.579 5.937 1.00 0.00 C ATOM 111 CG2 VAL A 542 -4.065 0.854 5.342 1.00 0.00 C ATOM 0 H VAL A 542 -4.468 1.811 8.509 1.00 0.00 H new ATOM 0 HA VAL A 542 -6.113 -0.120 7.019 1.00 0.00 H new ATOM 0 HB VAL A 542 -3.069 -0.058 6.990 1.00 0.00 H new ATOM 0 HG11 VAL A 542 -3.317 -1.755 5.226 1.00 0.00 H new ATOM 0 HG12 VAL A 542 -4.043 -2.288 6.761 1.00 0.00 H new ATOM 0 HG13 VAL A 542 -5.084 -1.712 5.437 1.00 0.00 H new ATOM 0 HG21 VAL A 542 -3.259 0.645 4.638 1.00 0.00 H new ATOM 0 HG22 VAL A 542 -5.023 0.786 4.827 1.00 0.00 H new ATOM 0 HG23 VAL A 542 -3.941 1.858 5.747 1.00 0.00 H new ATOM 121 N ARG A 543 -5.592 -1.943 8.689 1.00 0.00 N ATOM 122 CA ARG A 543 -5.487 -2.885 9.797 1.00 0.00 C ATOM 123 C ARG A 543 -5.317 -4.312 9.283 1.00 0.00 C ATOM 124 O ARG A 543 -5.649 -4.613 8.137 1.00 0.00 O ATOM 125 CB ARG A 543 -6.727 -2.798 10.688 1.00 0.00 C ATOM 126 CG ARG A 543 -6.604 -1.774 11.804 1.00 0.00 C ATOM 127 CD ARG A 543 -7.718 -1.928 12.828 1.00 0.00 C ATOM 128 NE ARG A 543 -7.646 -3.210 13.525 1.00 0.00 N ATOM 129 CZ ARG A 543 -6.859 -3.434 14.571 1.00 0.00 C ATOM 130 NH1 ARG A 543 -6.081 -2.468 15.039 1.00 0.00 N ATOM 131 NH2 ARG A 543 -6.850 -4.628 15.152 1.00 0.00 N ATOM 0 H ARG A 543 -6.182 -2.260 7.920 1.00 0.00 H new ATOM 0 HA ARG A 543 -4.607 -2.620 10.383 1.00 0.00 H new ATOM 0 HB2 ARG A 543 -7.590 -2.549 10.071 1.00 0.00 H new ATOM 0 HB3 ARG A 543 -6.920 -3.778 11.125 1.00 0.00 H new ATOM 0 HG2 ARG A 543 -5.638 -1.885 12.296 1.00 0.00 H new ATOM 0 HG3 ARG A 543 -6.633 -0.769 11.382 1.00 0.00 H new ATOM 0 HD2 ARG A 543 -7.658 -1.117 13.554 1.00 0.00 H new ATOM 0 HD3 ARG A 543 -8.683 -1.840 12.330 1.00 0.00 H new ATOM 0 HE ARG A 543 -8.232 -3.975 13.190 1.00 0.00 H new ATOM 0 HH11 ARG A 543 -6.086 -1.549 14.596 1.00 0.00 H new ATOM 0 HH12 ARG A 543 -5.478 -2.643 15.843 1.00 0.00 H new ATOM 0 HH21 ARG A 543 -7.448 -5.373 14.795 1.00 0.00 H new ATOM 0 HH22 ARG A 543 -6.245 -4.800 15.955 1.00 0.00 H new ATOM 145 N ASN A 544 -4.796 -5.186 10.138 1.00 0.00 N ATOM 146 CA ASN A 544 -4.581 -6.580 9.770 1.00 0.00 C ATOM 147 C ASN A 544 -3.391 -6.716 8.825 1.00 0.00 C ATOM 148 O ASN A 544 -3.403 -7.537 7.908 1.00 0.00 O ATOM 149 CB ASN A 544 -5.837 -7.156 9.113 1.00 0.00 C ATOM 150 CG ASN A 544 -5.868 -8.672 9.154 1.00 0.00 C ATOM 151 OD1 ASN A 544 -6.511 -9.267 10.019 1.00 0.00 O ATOM 152 ND2 ASN A 544 -5.172 -9.303 8.216 1.00 0.00 N ATOM 0 H ASN A 544 -4.515 -4.953 11.090 1.00 0.00 H new ATOM 0 HA ASN A 544 -4.366 -7.141 10.680 1.00 0.00 H new ATOM 0 HB2 ASN A 544 -6.720 -6.764 9.617 1.00 0.00 H new ATOM 0 HB3 ASN A 544 -5.887 -6.822 8.077 1.00 0.00 H new ATOM 0 HD21 ASN A 544 -5.155 -10.323 8.192 1.00 0.00 H new ATOM 0 HD22 ASN A 544 -4.654 -8.768 7.519 1.00 0.00 H new ATOM 159 N LEU A 545 -2.364 -5.906 9.056 1.00 0.00 N ATOM 160 CA LEU A 545 -1.164 -5.935 8.227 1.00 0.00 C ATOM 161 C LEU A 545 -0.173 -6.975 8.738 1.00 0.00 C ATOM 162 O LEU A 545 0.015 -7.149 9.943 1.00 0.00 O ATOM 163 CB LEU A 545 -0.505 -4.555 8.200 1.00 0.00 C ATOM 164 CG LEU A 545 -1.174 -3.508 7.309 1.00 0.00 C ATOM 165 CD1 LEU A 545 -0.761 -2.106 7.730 1.00 0.00 C ATOM 166 CD2 LEU A 545 -0.826 -3.752 5.847 1.00 0.00 C ATOM 0 H LEU A 545 -2.338 -5.221 9.811 1.00 0.00 H new ATOM 0 HA LEU A 545 -1.459 -6.209 7.214 1.00 0.00 H new ATOM 0 HB2 LEU A 545 -0.474 -4.169 9.219 1.00 0.00 H new ATOM 0 HB3 LEU A 545 0.528 -4.674 7.873 1.00 0.00 H new ATOM 0 HG LEU A 545 -2.254 -3.596 7.425 1.00 0.00 H new ATOM 0 HD11 LEU A 545 -1.247 -1.374 7.085 1.00 0.00 H new ATOM 0 HD12 LEU A 545 -1.060 -1.934 8.764 1.00 0.00 H new ATOM 0 HD13 LEU A 545 0.321 -2.004 7.644 1.00 0.00 H new ATOM 0 HD21 LEU A 545 -1.310 -2.998 5.227 1.00 0.00 H new ATOM 0 HD22 LEU A 545 0.254 -3.691 5.715 1.00 0.00 H new ATOM 0 HD23 LEU A 545 -1.172 -4.742 5.551 1.00 0.00 H new ATOM 178 N PRO A 546 0.478 -7.683 7.803 1.00 0.00 N ATOM 179 CA PRO A 546 1.463 -8.716 8.136 1.00 0.00 C ATOM 180 C PRO A 546 2.742 -8.130 8.723 1.00 0.00 C ATOM 181 O PRO A 546 3.312 -7.186 8.176 1.00 0.00 O ATOM 182 CB PRO A 546 1.749 -9.381 6.787 1.00 0.00 C ATOM 183 CG PRO A 546 1.435 -8.334 5.775 1.00 0.00 C ATOM 184 CD PRO A 546 0.303 -7.529 6.350 1.00 0.00 C ATOM 0 HA PRO A 546 1.091 -9.404 8.896 1.00 0.00 H new ATOM 0 HB2 PRO A 546 2.788 -9.701 6.716 1.00 0.00 H new ATOM 0 HB3 PRO A 546 1.132 -10.268 6.644 1.00 0.00 H new ATOM 0 HG2 PRO A 546 2.304 -7.704 5.583 1.00 0.00 H new ATOM 0 HG3 PRO A 546 1.150 -8.784 4.824 1.00 0.00 H new ATOM 0 HD2 PRO A 546 0.359 -6.483 6.047 1.00 0.00 H new ATOM 0 HD3 PRO A 546 -0.665 -7.905 6.020 1.00 0.00 H new ATOM 192 N PHE A 547 3.189 -8.696 9.839 1.00 0.00 N ATOM 193 CA PHE A 547 4.402 -8.229 10.501 1.00 0.00 C ATOM 194 C PHE A 547 5.473 -7.864 9.478 1.00 0.00 C ATOM 195 O PHE A 547 5.918 -6.718 9.411 1.00 0.00 O ATOM 196 CB PHE A 547 4.934 -9.302 11.453 1.00 0.00 C ATOM 197 CG PHE A 547 3.927 -9.752 12.472 1.00 0.00 C ATOM 198 CD1 PHE A 547 3.296 -8.833 13.295 1.00 0.00 C ATOM 199 CD2 PHE A 547 3.612 -11.094 12.608 1.00 0.00 C ATOM 200 CE1 PHE A 547 2.368 -9.244 14.234 1.00 0.00 C ATOM 201 CE2 PHE A 547 2.685 -11.511 13.545 1.00 0.00 C ATOM 202 CZ PHE A 547 2.063 -10.585 14.359 1.00 0.00 C ATOM 0 H PHE A 547 2.730 -9.479 10.304 1.00 0.00 H new ATOM 0 HA PHE A 547 4.153 -7.336 11.074 1.00 0.00 H new ATOM 0 HB2 PHE A 547 5.260 -10.164 10.871 1.00 0.00 H new ATOM 0 HB3 PHE A 547 5.813 -8.915 11.969 1.00 0.00 H new ATOM 0 HD1 PHE A 547 3.532 -7.783 13.202 1.00 0.00 H new ATOM 0 HD2 PHE A 547 4.096 -11.823 11.975 1.00 0.00 H new ATOM 0 HE1 PHE A 547 1.882 -8.517 14.869 1.00 0.00 H new ATOM 0 HE2 PHE A 547 2.447 -12.560 13.640 1.00 0.00 H new ATOM 0 HZ PHE A 547 1.339 -10.909 15.092 1.00 0.00 H new ATOM 212 N ASP A 548 5.883 -8.846 8.683 1.00 0.00 N ATOM 213 CA ASP A 548 6.902 -8.630 7.663 1.00 0.00 C ATOM 214 C ASP A 548 6.776 -7.236 7.056 1.00 0.00 C ATOM 215 O ASP A 548 7.778 -6.581 6.765 1.00 0.00 O ATOM 216 CB ASP A 548 6.788 -9.689 6.565 1.00 0.00 C ATOM 217 CG ASP A 548 7.850 -9.530 5.495 1.00 0.00 C ATOM 218 OD1 ASP A 548 7.653 -8.701 4.582 1.00 0.00 O ATOM 219 OD2 ASP A 548 8.878 -10.236 5.569 1.00 0.00 O ATOM 0 H ASP A 548 5.525 -9.800 8.725 1.00 0.00 H new ATOM 0 HA ASP A 548 7.879 -8.714 8.138 1.00 0.00 H new ATOM 0 HB2 ASP A 548 6.871 -10.680 7.010 1.00 0.00 H new ATOM 0 HB3 ASP A 548 5.801 -9.627 6.106 1.00 0.00 H new ATOM 224 N PHE A 549 5.540 -6.788 6.868 1.00 0.00 N ATOM 225 CA PHE A 549 5.282 -5.472 6.294 1.00 0.00 C ATOM 226 C PHE A 549 6.067 -4.393 7.035 1.00 0.00 C ATOM 227 O PHE A 549 6.160 -4.408 8.262 1.00 0.00 O ATOM 228 CB PHE A 549 3.787 -5.154 6.342 1.00 0.00 C ATOM 229 CG PHE A 549 3.326 -4.264 5.223 1.00 0.00 C ATOM 230 CD1 PHE A 549 3.005 -4.796 3.985 1.00 0.00 C ATOM 231 CD2 PHE A 549 3.214 -2.896 5.410 1.00 0.00 C ATOM 232 CE1 PHE A 549 2.582 -3.979 2.954 1.00 0.00 C ATOM 233 CE2 PHE A 549 2.791 -2.074 4.382 1.00 0.00 C ATOM 234 CZ PHE A 549 2.473 -2.617 3.153 1.00 0.00 C ATOM 0 H PHE A 549 4.700 -7.317 7.105 1.00 0.00 H new ATOM 0 HA PHE A 549 5.609 -5.487 5.254 1.00 0.00 H new ATOM 0 HB2 PHE A 549 3.224 -6.087 6.309 1.00 0.00 H new ATOM 0 HB3 PHE A 549 3.556 -4.676 7.294 1.00 0.00 H new ATOM 0 HD1 PHE A 549 3.086 -5.861 3.824 1.00 0.00 H new ATOM 0 HD2 PHE A 549 3.460 -2.467 6.370 1.00 0.00 H new ATOM 0 HE1 PHE A 549 2.337 -4.406 1.993 1.00 0.00 H new ATOM 0 HE2 PHE A 549 2.709 -1.009 4.540 1.00 0.00 H new ATOM 0 HZ PHE A 549 2.140 -1.978 2.349 1.00 0.00 H new ATOM 244 N THR A 550 6.632 -3.456 6.279 1.00 0.00 N ATOM 245 CA THR A 550 7.410 -2.370 6.861 1.00 0.00 C ATOM 246 C THR A 550 6.973 -1.020 6.304 1.00 0.00 C ATOM 247 O THR A 550 6.447 -0.937 5.195 1.00 0.00 O ATOM 248 CB THR A 550 8.917 -2.557 6.601 1.00 0.00 C ATOM 249 OG1 THR A 550 9.151 -2.767 5.204 1.00 0.00 O ATOM 250 CG2 THR A 550 9.461 -3.735 7.395 1.00 0.00 C ATOM 0 H THR A 550 6.565 -3.428 5.262 1.00 0.00 H new ATOM 0 HA THR A 550 7.229 -2.392 7.936 1.00 0.00 H new ATOM 0 HB THR A 550 9.434 -1.653 6.923 1.00 0.00 H new ATOM 0 HG1 THR A 550 10.111 -2.883 5.047 1.00 0.00 H new ATOM 0 HG21 THR A 550 10.527 -3.847 7.195 1.00 0.00 H new ATOM 0 HG22 THR A 550 9.308 -3.558 8.460 1.00 0.00 H new ATOM 0 HG23 THR A 550 8.939 -4.645 7.100 1.00 0.00 H new ATOM 258 N TRP A 551 7.195 0.034 7.080 1.00 0.00 N ATOM 259 CA TRP A 551 6.825 1.382 6.663 1.00 0.00 C ATOM 260 C TRP A 551 7.120 1.593 5.182 1.00 0.00 C ATOM 261 O TRP A 551 6.288 2.117 4.441 1.00 0.00 O ATOM 262 CB TRP A 551 7.574 2.421 7.499 1.00 0.00 C ATOM 263 CG TRP A 551 9.057 2.395 7.288 1.00 0.00 C ATOM 264 CD1 TRP A 551 9.965 1.616 7.947 1.00 0.00 C ATOM 265 CD2 TRP A 551 9.804 3.186 6.357 1.00 0.00 C ATOM 266 NE1 TRP A 551 11.232 1.875 7.481 1.00 0.00 N ATOM 267 CE2 TRP A 551 11.160 2.833 6.504 1.00 0.00 C ATOM 268 CE3 TRP A 551 9.460 4.155 5.411 1.00 0.00 C ATOM 269 CZ2 TRP A 551 12.168 3.417 5.742 1.00 0.00 C ATOM 270 CZ3 TRP A 551 10.461 4.734 4.656 1.00 0.00 C ATOM 271 CH2 TRP A 551 11.802 4.364 4.824 1.00 0.00 C ATOM 0 H TRP A 551 7.629 -0.018 8.001 1.00 0.00 H new ATOM 0 HA TRP A 551 5.754 1.504 6.822 1.00 0.00 H new ATOM 0 HB2 TRP A 551 7.197 3.414 7.255 1.00 0.00 H new ATOM 0 HB3 TRP A 551 7.361 2.250 8.554 1.00 0.00 H new ATOM 0 HD1 TRP A 551 9.723 0.902 8.720 1.00 0.00 H new ATOM 0 HE1 TRP A 551 12.087 1.427 7.809 1.00 0.00 H new ATOM 0 HE3 TRP A 551 8.429 4.446 5.273 1.00 0.00 H new ATOM 0 HZ2 TRP A 551 13.202 3.133 5.871 1.00 0.00 H new ATOM 0 HZ3 TRP A 551 10.206 5.485 3.923 1.00 0.00 H new ATOM 0 HH2 TRP A 551 12.561 4.835 4.218 1.00 0.00 H new ATOM 282 N LYS A 552 8.310 1.184 4.756 1.00 0.00 N ATOM 283 CA LYS A 552 8.715 1.327 3.363 1.00 0.00 C ATOM 284 C LYS A 552 7.618 0.838 2.424 1.00 0.00 C ATOM 285 O LYS A 552 7.279 1.507 1.448 1.00 0.00 O ATOM 286 CB LYS A 552 10.007 0.549 3.104 1.00 0.00 C ATOM 287 CG LYS A 552 11.267 1.367 3.334 1.00 0.00 C ATOM 288 CD LYS A 552 11.618 2.205 2.116 1.00 0.00 C ATOM 289 CE LYS A 552 13.029 2.764 2.212 1.00 0.00 C ATOM 290 NZ LYS A 552 13.307 3.757 1.138 1.00 0.00 N ATOM 0 H LYS A 552 9.011 0.750 5.356 1.00 0.00 H new ATOM 0 HA LYS A 552 8.890 2.385 3.169 1.00 0.00 H new ATOM 0 HB2 LYS A 552 10.030 -0.327 3.752 1.00 0.00 H new ATOM 0 HB3 LYS A 552 10.002 0.186 2.076 1.00 0.00 H new ATOM 0 HG2 LYS A 552 11.127 2.018 4.197 1.00 0.00 H new ATOM 0 HG3 LYS A 552 12.097 0.700 3.570 1.00 0.00 H new ATOM 0 HD2 LYS A 552 11.527 1.597 1.216 1.00 0.00 H new ATOM 0 HD3 LYS A 552 10.906 3.025 2.020 1.00 0.00 H new ATOM 0 HE2 LYS A 552 13.168 3.234 3.186 1.00 0.00 H new ATOM 0 HE3 LYS A 552 13.748 1.948 2.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 552 14.279 4.114 1.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 552 13.200 3.303 0.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 552 12.637 4.549 1.216 1.00 0.00 H new ATOM 304 N MET A 553 7.064 -0.332 2.726 1.00 0.00 N ATOM 305 CA MET A 553 6.002 -0.909 1.910 1.00 0.00 C ATOM 306 C MET A 553 4.777 0.000 1.891 1.00 0.00 C ATOM 307 O MET A 553 4.362 0.477 0.834 1.00 0.00 O ATOM 308 CB MET A 553 5.618 -2.292 2.438 1.00 0.00 C ATOM 309 CG MET A 553 6.649 -3.367 2.133 1.00 0.00 C ATOM 310 SD MET A 553 6.179 -4.983 2.779 1.00 0.00 S ATOM 311 CE MET A 553 4.969 -5.495 1.562 1.00 0.00 C ATOM 0 H MET A 553 7.333 -0.899 3.530 1.00 0.00 H new ATOM 0 HA MET A 553 6.374 -1.009 0.890 1.00 0.00 H new ATOM 0 HB2 MET A 553 5.475 -2.233 3.517 1.00 0.00 H new ATOM 0 HB3 MET A 553 4.661 -2.584 2.005 1.00 0.00 H new ATOM 0 HG2 MET A 553 6.787 -3.437 1.054 1.00 0.00 H new ATOM 0 HG3 MET A 553 7.609 -3.075 2.558 1.00 0.00 H new ATOM 0 HE1 MET A 553 4.240 -6.157 2.030 1.00 0.00 H new ATOM 0 HE2 MET A 553 4.459 -4.617 1.164 1.00 0.00 H new ATOM 0 HE3 MET A 553 5.470 -6.022 0.750 1.00 0.00 H new ATOM 321 N LEU A 554 4.202 0.234 3.065 1.00 0.00 N ATOM 322 CA LEU A 554 3.024 1.086 3.183 1.00 0.00 C ATOM 323 C LEU A 554 3.096 2.255 2.207 1.00 0.00 C ATOM 324 O LEU A 554 2.082 2.681 1.654 1.00 0.00 O ATOM 325 CB LEU A 554 2.890 1.609 4.614 1.00 0.00 C ATOM 326 CG LEU A 554 1.518 2.164 5.001 1.00 0.00 C ATOM 327 CD1 LEU A 554 0.476 1.056 5.003 1.00 0.00 C ATOM 328 CD2 LEU A 554 1.581 2.842 6.362 1.00 0.00 C ATOM 0 H LEU A 554 4.532 -0.154 3.949 1.00 0.00 H new ATOM 0 HA LEU A 554 2.147 0.487 2.938 1.00 0.00 H new ATOM 0 HB2 LEU A 554 3.139 0.799 5.300 1.00 0.00 H new ATOM 0 HB3 LEU A 554 3.632 2.393 4.764 1.00 0.00 H new ATOM 0 HG LEU A 554 1.226 2.908 4.260 1.00 0.00 H new ATOM 0 HD11 LEU A 554 -0.494 1.469 5.281 1.00 0.00 H new ATOM 0 HD12 LEU A 554 0.411 0.615 4.008 1.00 0.00 H new ATOM 0 HD13 LEU A 554 0.763 0.288 5.722 1.00 0.00 H new ATOM 0 HD21 LEU A 554 0.596 3.231 6.621 1.00 0.00 H new ATOM 0 HD22 LEU A 554 1.895 2.119 7.115 1.00 0.00 H new ATOM 0 HD23 LEU A 554 2.297 3.663 6.327 1.00 0.00 H new ATOM 340 N LYS A 555 4.303 2.770 1.997 1.00 0.00 N ATOM 341 CA LYS A 555 4.511 3.888 1.084 1.00 0.00 C ATOM 342 C LYS A 555 4.560 3.407 -0.363 1.00 0.00 C ATOM 343 O LYS A 555 3.630 3.636 -1.135 1.00 0.00 O ATOM 344 CB LYS A 555 5.806 4.624 1.433 1.00 0.00 C ATOM 345 CG LYS A 555 6.146 5.747 0.468 1.00 0.00 C ATOM 346 CD LYS A 555 7.636 6.048 0.466 1.00 0.00 C ATOM 347 CE LYS A 555 7.921 7.445 -0.064 1.00 0.00 C ATOM 348 NZ LYS A 555 9.340 7.599 -0.487 1.00 0.00 N ATOM 0 H LYS A 555 5.153 2.430 2.447 1.00 0.00 H new ATOM 0 HA LYS A 555 3.671 4.574 1.192 1.00 0.00 H new ATOM 0 HB2 LYS A 555 5.721 5.034 2.439 1.00 0.00 H new ATOM 0 HB3 LYS A 555 6.628 3.908 1.449 1.00 0.00 H new ATOM 0 HG2 LYS A 555 5.828 5.473 -0.538 1.00 0.00 H new ATOM 0 HG3 LYS A 555 5.593 6.645 0.744 1.00 0.00 H new ATOM 0 HD2 LYS A 555 8.029 5.955 1.479 1.00 0.00 H new ATOM 0 HD3 LYS A 555 8.156 5.312 -0.147 1.00 0.00 H new ATOM 0 HE2 LYS A 555 7.265 7.653 -0.910 1.00 0.00 H new ATOM 0 HE3 LYS A 555 7.690 8.180 0.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 555 9.494 8.564 -0.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 555 9.965 7.425 0.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 555 9.554 6.915 -1.241 1.00 0.00 H new ATOM 362 N ASP A 556 5.650 2.738 -0.722 1.00 0.00 N ATOM 363 CA ASP A 556 5.820 2.223 -2.076 1.00 0.00 C ATOM 364 C ASP A 556 4.566 1.486 -2.537 1.00 0.00 C ATOM 365 O ASP A 556 3.968 1.834 -3.556 1.00 0.00 O ATOM 366 CB ASP A 556 7.029 1.288 -2.141 1.00 0.00 C ATOM 367 CG ASP A 556 7.562 1.129 -3.551 1.00 0.00 C ATOM 368 OD1 ASP A 556 7.792 2.160 -4.219 1.00 0.00 O ATOM 369 OD2 ASP A 556 7.751 -0.026 -3.987 1.00 0.00 O ATOM 0 H ASP A 556 6.429 2.539 -0.094 1.00 0.00 H new ATOM 0 HA ASP A 556 5.989 3.069 -2.742 1.00 0.00 H new ATOM 0 HB2 ASP A 556 7.819 1.676 -1.498 1.00 0.00 H new ATOM 0 HB3 ASP A 556 6.750 0.310 -1.749 1.00 0.00 H new ATOM 374 N LYS A 557 4.174 0.465 -1.783 1.00 0.00 N ATOM 375 CA LYS A 557 2.992 -0.322 -2.113 1.00 0.00 C ATOM 376 C LYS A 557 1.825 0.583 -2.495 1.00 0.00 C ATOM 377 O LYS A 557 1.157 0.358 -3.504 1.00 0.00 O ATOM 378 CB LYS A 557 2.597 -1.208 -0.929 1.00 0.00 C ATOM 379 CG LYS A 557 1.190 -1.771 -1.034 1.00 0.00 C ATOM 380 CD LYS A 557 1.042 -2.681 -2.241 1.00 0.00 C ATOM 381 CE LYS A 557 1.426 -4.115 -1.908 1.00 0.00 C ATOM 382 NZ LYS A 557 1.896 -4.857 -3.110 1.00 0.00 N ATOM 0 H LYS A 557 4.659 0.163 -0.938 1.00 0.00 H new ATOM 0 HA LYS A 557 3.234 -0.954 -2.967 1.00 0.00 H new ATOM 0 HB2 LYS A 557 3.305 -2.033 -0.851 1.00 0.00 H new ATOM 0 HB3 LYS A 557 2.680 -0.629 -0.009 1.00 0.00 H new ATOM 0 HG2 LYS A 557 0.951 -2.326 -0.127 1.00 0.00 H new ATOM 0 HG3 LYS A 557 0.474 -0.952 -1.105 1.00 0.00 H new ATOM 0 HD2 LYS A 557 0.012 -2.652 -2.596 1.00 0.00 H new ATOM 0 HD3 LYS A 557 1.669 -2.314 -3.054 1.00 0.00 H new ATOM 0 HE2 LYS A 557 2.211 -4.114 -1.152 1.00 0.00 H new ATOM 0 HE3 LYS A 557 0.568 -4.630 -1.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 557 2.148 -5.830 -2.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 557 1.138 -4.880 -3.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 557 2.731 -4.381 -3.508 1.00 0.00 H new ATOM 396 N PHE A 558 1.587 1.609 -1.684 1.00 0.00 N ATOM 397 CA PHE A 558 0.501 2.548 -1.938 1.00 0.00 C ATOM 398 C PHE A 558 0.898 3.562 -3.008 1.00 0.00 C ATOM 399 O PHE A 558 0.044 4.207 -3.614 1.00 0.00 O ATOM 400 CB PHE A 558 0.116 3.276 -0.649 1.00 0.00 C ATOM 401 CG PHE A 558 -0.771 2.467 0.254 1.00 0.00 C ATOM 402 CD1 PHE A 558 -0.404 1.189 0.644 1.00 0.00 C ATOM 403 CD2 PHE A 558 -1.972 2.984 0.713 1.00 0.00 C ATOM 404 CE1 PHE A 558 -1.218 0.442 1.474 1.00 0.00 C ATOM 405 CE2 PHE A 558 -2.790 2.242 1.543 1.00 0.00 C ATOM 406 CZ PHE A 558 -2.412 0.969 1.925 1.00 0.00 C ATOM 0 H PHE A 558 2.132 1.811 -0.846 1.00 0.00 H new ATOM 0 HA PHE A 558 -0.358 1.982 -2.298 1.00 0.00 H new ATOM 0 HB2 PHE A 558 1.023 3.545 -0.108 1.00 0.00 H new ATOM 0 HB3 PHE A 558 -0.391 4.207 -0.904 1.00 0.00 H new ATOM 0 HD1 PHE A 558 0.529 0.772 0.295 1.00 0.00 H new ATOM 0 HD2 PHE A 558 -2.272 3.979 0.418 1.00 0.00 H new ATOM 0 HE1 PHE A 558 -0.921 -0.553 1.770 1.00 0.00 H new ATOM 0 HE2 PHE A 558 -3.724 2.656 1.893 1.00 0.00 H new ATOM 0 HZ PHE A 558 -3.049 0.387 2.575 1.00 0.00 H new ATOM 416 N ASN A 559 2.201 3.696 -3.233 1.00 0.00 N ATOM 417 CA ASN A 559 2.713 4.631 -4.228 1.00 0.00 C ATOM 418 C ASN A 559 2.061 4.390 -5.587 1.00 0.00 C ATOM 419 O ASN A 559 2.126 5.238 -6.476 1.00 0.00 O ATOM 420 CB ASN A 559 4.232 4.500 -4.348 1.00 0.00 C ATOM 421 CG ASN A 559 4.863 5.694 -5.038 1.00 0.00 C ATOM 422 OD1 ASN A 559 5.286 5.607 -6.191 1.00 0.00 O ATOM 423 ND2 ASN A 559 4.928 6.818 -4.334 1.00 0.00 N ATOM 0 H ASN A 559 2.922 3.169 -2.740 1.00 0.00 H new ATOM 0 HA ASN A 559 2.467 5.641 -3.901 1.00 0.00 H new ATOM 0 HB2 ASN A 559 4.664 4.389 -3.353 1.00 0.00 H new ATOM 0 HB3 ASN A 559 4.473 3.594 -4.904 1.00 0.00 H new ATOM 0 HD21 ASN A 559 5.341 7.655 -4.746 1.00 0.00 H new ATOM 0 HD22 ASN A 559 4.565 6.845 -3.381 1.00 0.00 H new ATOM 430 N GLU A 560 1.435 3.227 -5.738 1.00 0.00 N ATOM 431 CA GLU A 560 0.772 2.875 -6.989 1.00 0.00 C ATOM 432 C GLU A 560 -0.446 3.762 -7.228 1.00 0.00 C ATOM 433 O GLU A 560 -0.641 4.284 -8.326 1.00 0.00 O ATOM 434 CB GLU A 560 0.350 1.404 -6.971 1.00 0.00 C ATOM 435 CG GLU A 560 1.520 0.435 -6.981 1.00 0.00 C ATOM 436 CD GLU A 560 1.170 -0.895 -7.620 1.00 0.00 C ATOM 437 OE1 GLU A 560 -0.010 -1.295 -7.550 1.00 0.00 O ATOM 438 OE2 GLU A 560 2.079 -1.536 -8.189 1.00 0.00 O ATOM 0 H GLU A 560 1.373 2.514 -5.011 1.00 0.00 H new ATOM 0 HA GLU A 560 1.480 3.033 -7.803 1.00 0.00 H new ATOM 0 HB2 GLU A 560 -0.256 1.219 -6.084 1.00 0.00 H new ATOM 0 HB3 GLU A 560 -0.283 1.206 -7.836 1.00 0.00 H new ATOM 0 HG2 GLU A 560 2.354 0.884 -7.519 1.00 0.00 H new ATOM 0 HG3 GLU A 560 1.855 0.265 -5.958 1.00 0.00 H new ATOM 445 N CYS A 561 -1.262 3.927 -6.193 1.00 0.00 N ATOM 446 CA CYS A 561 -2.463 4.750 -6.289 1.00 0.00 C ATOM 447 C CYS A 561 -2.104 6.202 -6.586 1.00 0.00 C ATOM 448 O CYS A 561 -2.609 6.795 -7.539 1.00 0.00 O ATOM 449 CB CYS A 561 -3.270 4.666 -4.993 1.00 0.00 C ATOM 450 SG CYS A 561 -3.446 2.989 -4.340 1.00 0.00 S ATOM 0 H CYS A 561 -1.114 3.502 -5.278 1.00 0.00 H new ATOM 0 HA CYS A 561 -3.070 4.369 -7.111 1.00 0.00 H new ATOM 0 HB2 CYS A 561 -2.791 5.290 -4.238 1.00 0.00 H new ATOM 0 HB3 CYS A 561 -4.262 5.082 -5.168 1.00 0.00 H new ATOM 0 HG CYS A 561 -2.840 2.904 -3.193 1.00 0.00 H new ATOM 456 N GLY A 562 -1.230 6.771 -5.762 1.00 0.00 N ATOM 457 CA GLY A 562 -0.820 8.150 -5.952 1.00 0.00 C ATOM 458 C GLY A 562 0.520 8.450 -5.310 1.00 0.00 C ATOM 459 O GLY A 562 1.356 7.560 -5.156 1.00 0.00 O ATOM 0 H GLY A 562 -0.798 6.302 -4.966 1.00 0.00 H new ATOM 0 HA2 GLY A 562 -0.765 8.366 -7.019 1.00 0.00 H new ATOM 0 HA3 GLY A 562 -1.577 8.812 -5.532 1.00 0.00 H new ATOM 463 N HIS A 563 0.727 9.709 -4.937 1.00 0.00 N ATOM 464 CA HIS A 563 1.977 10.125 -4.310 1.00 0.00 C ATOM 465 C HIS A 563 1.855 10.103 -2.789 1.00 0.00 C ATOM 466 O HIS A 563 1.261 11.000 -2.190 1.00 0.00 O ATOM 467 CB HIS A 563 2.367 11.526 -4.781 1.00 0.00 C ATOM 468 CG HIS A 563 3.556 12.089 -4.065 1.00 0.00 C ATOM 469 ND1 HIS A 563 4.773 12.302 -4.677 1.00 0.00 N ATOM 470 CD2 HIS A 563 3.708 12.487 -2.780 1.00 0.00 C ATOM 471 CE1 HIS A 563 5.623 12.804 -3.800 1.00 0.00 C ATOM 472 NE2 HIS A 563 5.002 12.926 -2.640 1.00 0.00 N ATOM 0 H HIS A 563 0.046 10.459 -5.058 1.00 0.00 H new ATOM 0 HA HIS A 563 2.755 9.421 -4.605 1.00 0.00 H new ATOM 0 HB2 HIS A 563 2.578 11.495 -5.850 1.00 0.00 H new ATOM 0 HB3 HIS A 563 1.519 12.196 -4.642 1.00 0.00 H new ATOM 0 HD1 HIS A 563 4.984 12.103 -5.655 1.00 0.00 H new ATOM 0 HD2 HIS A 563 2.953 12.464 -2.009 1.00 0.00 H new ATOM 0 HE1 HIS A 563 6.651 13.070 -3.997 1.00 0.00 H new ATOM 481 N VAL A 564 2.420 9.071 -2.170 1.00 0.00 N ATOM 482 CA VAL A 564 2.375 8.933 -0.719 1.00 0.00 C ATOM 483 C VAL A 564 3.205 10.015 -0.037 1.00 0.00 C ATOM 484 O VAL A 564 4.365 10.236 -0.387 1.00 0.00 O ATOM 485 CB VAL A 564 2.887 7.551 -0.271 1.00 0.00 C ATOM 486 CG1 VAL A 564 2.886 7.446 1.246 1.00 0.00 C ATOM 487 CG2 VAL A 564 2.046 6.445 -0.891 1.00 0.00 C ATOM 0 H VAL A 564 2.914 8.319 -2.650 1.00 0.00 H new ATOM 0 HA VAL A 564 1.331 9.040 -0.424 1.00 0.00 H new ATOM 0 HB VAL A 564 3.914 7.434 -0.618 1.00 0.00 H new ATOM 0 HG11 VAL A 564 3.251 6.463 1.543 1.00 0.00 H new ATOM 0 HG12 VAL A 564 3.535 8.215 1.664 1.00 0.00 H new ATOM 0 HG13 VAL A 564 1.871 7.585 1.620 1.00 0.00 H new ATOM 0 HG21 VAL A 564 2.422 5.475 -0.564 1.00 0.00 H new ATOM 0 HG22 VAL A 564 1.008 6.557 -0.576 1.00 0.00 H new ATOM 0 HG23 VAL A 564 2.105 6.509 -1.978 1.00 0.00 H new ATOM 497 N LEU A 565 2.604 10.687 0.938 1.00 0.00 N ATOM 498 CA LEU A 565 3.287 11.747 1.671 1.00 0.00 C ATOM 499 C LEU A 565 3.747 11.254 3.039 1.00 0.00 C ATOM 500 O LEU A 565 4.862 11.547 3.472 1.00 0.00 O ATOM 501 CB LEU A 565 2.365 12.957 1.835 1.00 0.00 C ATOM 502 CG LEU A 565 1.900 13.627 0.542 1.00 0.00 C ATOM 503 CD1 LEU A 565 0.778 14.614 0.826 1.00 0.00 C ATOM 504 CD2 LEU A 565 3.065 14.324 -0.147 1.00 0.00 C ATOM 0 H LEU A 565 1.645 10.517 1.240 1.00 0.00 H new ATOM 0 HA LEU A 565 4.166 12.043 1.098 1.00 0.00 H new ATOM 0 HB2 LEU A 565 1.484 12.644 2.395 1.00 0.00 H new ATOM 0 HB3 LEU A 565 2.881 13.702 2.441 1.00 0.00 H new ATOM 0 HG LEU A 565 1.517 12.856 -0.127 1.00 0.00 H new ATOM 0 HD11 LEU A 565 0.460 15.081 -0.106 1.00 0.00 H new ATOM 0 HD12 LEU A 565 -0.065 14.088 1.274 1.00 0.00 H new ATOM 0 HD13 LEU A 565 1.134 15.381 1.514 1.00 0.00 H new ATOM 0 HD21 LEU A 565 2.715 14.795 -1.066 1.00 0.00 H new ATOM 0 HD22 LEU A 565 3.478 15.084 0.516 1.00 0.00 H new ATOM 0 HD23 LEU A 565 3.837 13.592 -0.386 1.00 0.00 H new ATOM 516 N TYR A 566 2.883 10.504 3.713 1.00 0.00 N ATOM 517 CA TYR A 566 3.200 9.971 5.032 1.00 0.00 C ATOM 518 C TYR A 566 2.883 8.480 5.108 1.00 0.00 C ATOM 519 O TYR A 566 1.915 8.009 4.511 1.00 0.00 O ATOM 520 CB TYR A 566 2.421 10.724 6.111 1.00 0.00 C ATOM 521 CG TYR A 566 2.680 10.216 7.511 1.00 0.00 C ATOM 522 CD1 TYR A 566 3.917 10.393 8.118 1.00 0.00 C ATOM 523 CD2 TYR A 566 1.687 9.560 8.228 1.00 0.00 C ATOM 524 CE1 TYR A 566 4.158 9.930 9.397 1.00 0.00 C ATOM 525 CE2 TYR A 566 1.918 9.094 9.508 1.00 0.00 C ATOM 526 CZ TYR A 566 3.156 9.281 10.088 1.00 0.00 C ATOM 527 OH TYR A 566 3.392 8.820 11.363 1.00 0.00 O ATOM 0 H TYR A 566 1.957 10.251 3.367 1.00 0.00 H new ATOM 0 HA TYR A 566 4.268 10.107 5.203 1.00 0.00 H new ATOM 0 HB2 TYR A 566 2.681 11.782 6.063 1.00 0.00 H new ATOM 0 HB3 TYR A 566 1.355 10.648 5.897 1.00 0.00 H new ATOM 0 HD1 TYR A 566 4.704 10.901 7.581 1.00 0.00 H new ATOM 0 HD2 TYR A 566 0.717 9.412 7.777 1.00 0.00 H new ATOM 0 HE1 TYR A 566 5.126 10.075 9.854 1.00 0.00 H new ATOM 0 HE2 TYR A 566 1.135 8.587 10.051 1.00 0.00 H new ATOM 0 HH TYR A 566 2.584 8.388 11.709 1.00 0.00 H new ATOM 537 N ALA A 567 3.706 7.744 5.846 1.00 0.00 N ATOM 538 CA ALA A 567 3.513 6.307 6.003 1.00 0.00 C ATOM 539 C ALA A 567 4.284 5.778 7.208 1.00 0.00 C ATOM 540 O ALA A 567 5.515 5.791 7.224 1.00 0.00 O ATOM 541 CB ALA A 567 3.940 5.576 4.739 1.00 0.00 C ATOM 0 H ALA A 567 4.513 8.118 6.345 1.00 0.00 H new ATOM 0 HA ALA A 567 2.452 6.125 6.174 1.00 0.00 H new ATOM 0 HB1 ALA A 567 3.791 4.504 4.870 1.00 0.00 H new ATOM 0 HB2 ALA A 567 3.342 5.925 3.897 1.00 0.00 H new ATOM 0 HB3 ALA A 567 4.994 5.774 4.543 1.00 0.00 H new ATOM 547 N ASP A 568 3.552 5.315 8.215 1.00 0.00 N ATOM 548 CA ASP A 568 4.167 4.781 9.425 1.00 0.00 C ATOM 549 C ASP A 568 3.383 3.582 9.949 1.00 0.00 C ATOM 550 O ASP A 568 2.160 3.522 9.818 1.00 0.00 O ATOM 551 CB ASP A 568 4.248 5.864 10.502 1.00 0.00 C ATOM 552 CG ASP A 568 5.339 5.588 11.519 1.00 0.00 C ATOM 553 OD1 ASP A 568 6.448 5.190 11.106 1.00 0.00 O ATOM 554 OD2 ASP A 568 5.083 5.769 12.728 1.00 0.00 O ATOM 0 H ASP A 568 2.532 5.299 8.218 1.00 0.00 H new ATOM 0 HA ASP A 568 5.176 4.452 9.176 1.00 0.00 H new ATOM 0 HB2 ASP A 568 4.431 6.829 10.030 1.00 0.00 H new ATOM 0 HB3 ASP A 568 3.288 5.936 11.013 1.00 0.00 H new ATOM 559 N ILE A 569 4.095 2.629 10.542 1.00 0.00 N ATOM 560 CA ILE A 569 3.466 1.433 11.086 1.00 0.00 C ATOM 561 C ILE A 569 3.199 1.582 12.580 1.00 0.00 C ATOM 562 O ILE A 569 4.084 1.360 13.406 1.00 0.00 O ATOM 563 CB ILE A 569 4.336 0.184 10.855 1.00 0.00 C ATOM 564 CG1 ILE A 569 4.521 -0.065 9.356 1.00 0.00 C ATOM 565 CG2 ILE A 569 3.711 -1.030 11.525 1.00 0.00 C ATOM 566 CD1 ILE A 569 3.279 -0.595 8.674 1.00 0.00 C ATOM 0 H ILE A 569 5.108 2.663 10.658 1.00 0.00 H new ATOM 0 HA ILE A 569 2.519 1.309 10.560 1.00 0.00 H new ATOM 0 HB ILE A 569 5.316 0.355 11.300 1.00 0.00 H new ATOM 0 HG12 ILE A 569 4.820 0.866 8.875 1.00 0.00 H new ATOM 0 HG13 ILE A 569 5.336 -0.774 9.212 1.00 0.00 H new ATOM 0 HG21 ILE A 569 4.338 -1.904 11.352 1.00 0.00 H new ATOM 0 HG22 ILE A 569 3.626 -0.851 12.597 1.00 0.00 H new ATOM 0 HG23 ILE A 569 2.720 -1.206 11.107 1.00 0.00 H new ATOM 0 HD11 ILE A 569 3.483 -0.748 7.614 1.00 0.00 H new ATOM 0 HD12 ILE A 569 2.991 -1.543 9.129 1.00 0.00 H new ATOM 0 HD13 ILE A 569 2.467 0.123 8.787 1.00 0.00 H new ATOM 578 N LYS A 570 1.971 1.960 12.922 1.00 0.00 N ATOM 579 CA LYS A 570 1.585 2.137 14.316 1.00 0.00 C ATOM 580 C LYS A 570 2.017 0.940 15.157 1.00 0.00 C ATOM 581 O LYS A 570 1.318 -0.071 15.220 1.00 0.00 O ATOM 582 CB LYS A 570 0.071 2.330 14.427 1.00 0.00 C ATOM 583 CG LYS A 570 -0.421 3.635 13.824 1.00 0.00 C ATOM 584 CD LYS A 570 -0.068 4.823 14.703 1.00 0.00 C ATOM 585 CE LYS A 570 -0.231 6.138 13.956 1.00 0.00 C ATOM 586 NZ LYS A 570 -0.283 7.301 14.884 1.00 0.00 N ATOM 0 H LYS A 570 1.226 2.150 12.251 1.00 0.00 H new ATOM 0 HA LYS A 570 2.088 3.026 14.695 1.00 0.00 H new ATOM 0 HB2 LYS A 570 -0.430 1.499 13.931 1.00 0.00 H new ATOM 0 HB3 LYS A 570 -0.215 2.294 15.478 1.00 0.00 H new ATOM 0 HG2 LYS A 570 0.019 3.769 12.836 1.00 0.00 H new ATOM 0 HG3 LYS A 570 -1.502 3.590 13.688 1.00 0.00 H new ATOM 0 HD2 LYS A 570 -0.705 4.824 15.587 1.00 0.00 H new ATOM 0 HD3 LYS A 570 0.960 4.726 15.051 1.00 0.00 H new ATOM 0 HE2 LYS A 570 0.598 6.266 13.260 1.00 0.00 H new ATOM 0 HE3 LYS A 570 -1.144 6.107 13.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 570 -0.395 8.178 14.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 570 -1.089 7.193 15.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 570 0.599 7.346 15.434 1.00 0.00 H new ATOM 600 N MET A 571 3.173 1.062 15.802 1.00 0.00 N ATOM 601 CA MET A 571 3.696 -0.010 16.641 1.00 0.00 C ATOM 602 C MET A 571 3.135 0.084 18.056 1.00 0.00 C ATOM 603 O MET A 571 2.520 1.085 18.424 1.00 0.00 O ATOM 604 CB MET A 571 5.225 0.046 16.681 1.00 0.00 C ATOM 605 CG MET A 571 5.887 -0.549 15.449 1.00 0.00 C ATOM 606 SD MET A 571 6.224 -2.312 15.624 1.00 0.00 S ATOM 607 CE MET A 571 7.487 -2.291 16.893 1.00 0.00 C ATOM 0 H MET A 571 3.765 1.892 15.760 1.00 0.00 H new ATOM 0 HA MET A 571 3.385 -0.961 16.209 1.00 0.00 H new ATOM 0 HB2 MET A 571 5.540 1.084 16.787 1.00 0.00 H new ATOM 0 HB3 MET A 571 5.577 -0.486 17.565 1.00 0.00 H new ATOM 0 HG2 MET A 571 5.244 -0.390 14.583 1.00 0.00 H new ATOM 0 HG3 MET A 571 6.821 -0.022 15.253 1.00 0.00 H new ATOM 0 HE1 MET A 571 8.090 -3.196 16.821 1.00 0.00 H new ATOM 0 HE2 MET A 571 8.125 -1.418 16.757 1.00 0.00 H new ATOM 0 HE3 MET A 571 7.016 -2.246 17.875 1.00 0.00 H new ATOM 617 N GLU A 572 3.351 -0.964 18.845 1.00 0.00 N ATOM 618 CA GLU A 572 2.865 -0.998 20.219 1.00 0.00 C ATOM 619 C GLU A 572 3.401 -2.222 20.956 1.00 0.00 C ATOM 620 O GLU A 572 3.632 -3.270 20.354 1.00 0.00 O ATOM 621 CB GLU A 572 1.335 -1.005 20.242 1.00 0.00 C ATOM 622 CG GLU A 572 0.748 -1.192 21.631 1.00 0.00 C ATOM 623 CD GLU A 572 0.537 -2.651 21.985 1.00 0.00 C ATOM 624 OE1 GLU A 572 1.222 -3.510 21.390 1.00 0.00 O ATOM 625 OE2 GLU A 572 -0.312 -2.935 22.855 1.00 0.00 O ATOM 0 H GLU A 572 3.859 -1.800 18.556 1.00 0.00 H new ATOM 0 HA GLU A 572 3.225 -0.103 20.727 1.00 0.00 H new ATOM 0 HB2 GLU A 572 0.969 -0.066 19.826 1.00 0.00 H new ATOM 0 HB3 GLU A 572 0.974 -1.803 19.594 1.00 0.00 H new ATOM 0 HG2 GLU A 572 1.412 -0.736 22.366 1.00 0.00 H new ATOM 0 HG3 GLU A 572 -0.205 -0.666 21.692 1.00 0.00 H new ATOM 632 N ASN A 573 3.598 -2.080 22.263 1.00 0.00 N ATOM 633 CA ASN A 573 4.108 -3.173 23.082 1.00 0.00 C ATOM 634 C ASN A 573 5.427 -3.700 22.525 1.00 0.00 C ATOM 635 O ASN A 573 5.750 -4.878 22.677 1.00 0.00 O ATOM 636 CB ASN A 573 3.082 -4.306 23.155 1.00 0.00 C ATOM 637 CG ASN A 573 3.511 -5.414 24.097 1.00 0.00 C ATOM 638 OD1 ASN A 573 3.616 -6.575 23.700 1.00 0.00 O ATOM 639 ND2 ASN A 573 3.759 -5.060 25.352 1.00 0.00 N ATOM 0 H ASN A 573 3.412 -1.219 22.777 1.00 0.00 H new ATOM 0 HA ASN A 573 4.286 -2.789 24.086 1.00 0.00 H new ATOM 0 HB2 ASN A 573 2.124 -3.904 23.484 1.00 0.00 H new ATOM 0 HB3 ASN A 573 2.929 -4.719 22.158 1.00 0.00 H new ATOM 0 HD21 ASN A 573 4.050 -5.762 26.032 1.00 0.00 H new ATOM 0 HD22 ASN A 573 3.659 -4.086 25.636 1.00 0.00 H new ATOM 646 N GLY A 574 6.185 -2.819 21.880 1.00 0.00 N ATOM 647 CA GLY A 574 7.460 -3.214 21.310 1.00 0.00 C ATOM 648 C GLY A 574 7.301 -4.057 20.061 1.00 0.00 C ATOM 649 O GLY A 574 8.285 -4.419 19.416 1.00 0.00 O ATOM 0 H GLY A 574 5.939 -1.839 21.742 1.00 0.00 H new ATOM 0 HA2 GLY A 574 8.039 -2.322 21.071 1.00 0.00 H new ATOM 0 HA3 GLY A 574 8.028 -3.774 22.053 1.00 0.00 H new ATOM 653 N LYS A 575 6.057 -4.373 19.717 1.00 0.00 N ATOM 654 CA LYS A 575 5.770 -5.179 18.536 1.00 0.00 C ATOM 655 C LYS A 575 4.838 -4.437 17.584 1.00 0.00 C ATOM 656 O LYS A 575 4.267 -3.405 17.937 1.00 0.00 O ATOM 657 CB LYS A 575 5.142 -6.514 18.945 1.00 0.00 C ATOM 658 CG LYS A 575 3.989 -6.370 19.922 1.00 0.00 C ATOM 659 CD LYS A 575 2.971 -7.485 19.752 1.00 0.00 C ATOM 660 CE LYS A 575 2.180 -7.717 21.030 1.00 0.00 C ATOM 661 NZ LYS A 575 1.280 -6.573 21.342 1.00 0.00 N ATOM 0 H LYS A 575 5.231 -4.083 20.240 1.00 0.00 H new ATOM 0 HA LYS A 575 6.711 -5.370 18.020 1.00 0.00 H new ATOM 0 HB2 LYS A 575 4.788 -7.028 18.051 1.00 0.00 H new ATOM 0 HB3 LYS A 575 5.910 -7.145 19.393 1.00 0.00 H new ATOM 0 HG2 LYS A 575 4.372 -6.379 20.942 1.00 0.00 H new ATOM 0 HG3 LYS A 575 3.503 -5.406 19.772 1.00 0.00 H new ATOM 0 HD2 LYS A 575 2.288 -7.235 18.940 1.00 0.00 H new ATOM 0 HD3 LYS A 575 3.481 -8.405 19.467 1.00 0.00 H new ATOM 0 HE2 LYS A 575 1.589 -8.627 20.931 1.00 0.00 H new ATOM 0 HE3 LYS A 575 2.869 -7.874 21.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 575 1.253 -6.423 22.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 575 1.636 -5.714 20.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 575 0.321 -6.781 20.997 1.00 0.00 H new ATOM 675 N SER A 576 4.687 -4.970 16.375 1.00 0.00 N ATOM 676 CA SER A 576 3.825 -4.357 15.372 1.00 0.00 C ATOM 677 C SER A 576 2.399 -4.888 15.482 1.00 0.00 C ATOM 678 O SER A 576 2.179 -6.097 15.558 1.00 0.00 O ATOM 679 CB SER A 576 4.373 -4.621 13.968 1.00 0.00 C ATOM 680 OG SER A 576 3.483 -4.143 12.974 1.00 0.00 O ATOM 0 H SER A 576 5.151 -5.825 16.067 1.00 0.00 H new ATOM 0 HA SER A 576 3.808 -3.282 15.552 1.00 0.00 H new ATOM 0 HB2 SER A 576 5.343 -4.136 13.856 1.00 0.00 H new ATOM 0 HB3 SER A 576 4.534 -5.690 13.832 1.00 0.00 H new ATOM 0 HG SER A 576 3.857 -4.322 12.086 1.00 0.00 H new ATOM 686 N LYS A 577 1.433 -3.976 15.489 1.00 0.00 N ATOM 687 CA LYS A 577 0.028 -4.351 15.588 1.00 0.00 C ATOM 688 C LYS A 577 -0.634 -4.349 14.214 1.00 0.00 C ATOM 689 O LYS A 577 -1.811 -4.015 14.081 1.00 0.00 O ATOM 690 CB LYS A 577 -0.712 -3.391 16.523 1.00 0.00 C ATOM 691 CG LYS A 577 -0.051 -3.234 17.881 1.00 0.00 C ATOM 692 CD LYS A 577 -0.029 -4.547 18.646 1.00 0.00 C ATOM 693 CE LYS A 577 -1.409 -4.908 19.174 1.00 0.00 C ATOM 694 NZ LYS A 577 -1.591 -6.382 19.288 1.00 0.00 N ATOM 0 H LYS A 577 1.598 -2.971 15.427 1.00 0.00 H new ATOM 0 HA LYS A 577 -0.025 -5.360 15.996 1.00 0.00 H new ATOM 0 HB2 LYS A 577 -0.780 -2.413 16.046 1.00 0.00 H new ATOM 0 HB3 LYS A 577 -1.732 -3.749 16.664 1.00 0.00 H new ATOM 0 HG2 LYS A 577 0.968 -2.871 17.751 1.00 0.00 H new ATOM 0 HG3 LYS A 577 -0.585 -2.482 18.462 1.00 0.00 H new ATOM 0 HD2 LYS A 577 0.332 -5.343 17.994 1.00 0.00 H new ATOM 0 HD3 LYS A 577 0.672 -4.473 19.477 1.00 0.00 H new ATOM 0 HE2 LYS A 577 -1.556 -4.447 20.151 1.00 0.00 H new ATOM 0 HE3 LYS A 577 -2.170 -4.498 18.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 577 -2.397 -6.679 18.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 577 -0.729 -6.864 18.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 577 -1.774 -6.633 20.280 1.00 0.00 H new ATOM 708 N GLY A 578 0.130 -4.726 13.193 1.00 0.00 N ATOM 709 CA GLY A 578 -0.400 -4.762 11.843 1.00 0.00 C ATOM 710 C GLY A 578 -1.410 -3.661 11.587 1.00 0.00 C ATOM 711 O GLY A 578 -2.572 -3.934 11.283 1.00 0.00 O ATOM 0 H GLY A 578 1.107 -5.007 13.277 1.00 0.00 H new ATOM 0 HA2 GLY A 578 0.421 -4.671 11.131 1.00 0.00 H new ATOM 0 HA3 GLY A 578 -0.869 -5.730 11.666 1.00 0.00 H new ATOM 715 N CYS A 579 -0.968 -2.414 11.711 1.00 0.00 N ATOM 716 CA CYS A 579 -1.843 -1.268 11.494 1.00 0.00 C ATOM 717 C CYS A 579 -1.029 -0.004 11.234 1.00 0.00 C ATOM 718 O CYS A 579 0.058 0.170 11.782 1.00 0.00 O ATOM 719 CB CYS A 579 -2.757 -1.060 12.703 1.00 0.00 C ATOM 720 SG CYS A 579 -1.882 -0.620 14.222 1.00 0.00 S ATOM 0 H CYS A 579 -0.009 -2.171 11.961 1.00 0.00 H new ATOM 0 HA CYS A 579 -2.456 -1.472 10.616 1.00 0.00 H new ATOM 0 HB2 CYS A 579 -3.476 -0.275 12.470 1.00 0.00 H new ATOM 0 HB3 CYS A 579 -3.327 -1.973 12.876 1.00 0.00 H new ATOM 0 HG CYS A 579 -2.739 -0.463 15.187 1.00 0.00 H new ATOM 726 N GLY A 580 -1.563 0.875 10.391 1.00 0.00 N ATOM 727 CA GLY A 580 -0.872 2.110 10.071 1.00 0.00 C ATOM 728 C GLY A 580 -1.765 3.106 9.359 1.00 0.00 C ATOM 729 O GLY A 580 -2.982 2.928 9.298 1.00 0.00 O ATOM 0 H GLY A 580 -2.462 0.754 9.924 1.00 0.00 H new ATOM 0 HA2 GLY A 580 -0.492 2.559 10.989 1.00 0.00 H new ATOM 0 HA3 GLY A 580 -0.009 1.888 9.444 1.00 0.00 H new ATOM 733 N VAL A 581 -1.161 4.161 8.820 1.00 0.00 N ATOM 734 CA VAL A 581 -1.910 5.190 8.109 1.00 0.00 C ATOM 735 C VAL A 581 -1.153 5.667 6.875 1.00 0.00 C ATOM 736 O VAL A 581 0.062 5.497 6.775 1.00 0.00 O ATOM 737 CB VAL A 581 -2.203 6.399 9.017 1.00 0.00 C ATOM 738 CG1 VAL A 581 -3.370 6.100 9.946 1.00 0.00 C ATOM 739 CG2 VAL A 581 -0.963 6.780 9.812 1.00 0.00 C ATOM 0 H VAL A 581 -0.155 4.325 8.862 1.00 0.00 H new ATOM 0 HA VAL A 581 -2.853 4.739 7.801 1.00 0.00 H new ATOM 0 HB VAL A 581 -2.479 7.245 8.388 1.00 0.00 H new ATOM 0 HG11 VAL A 581 -3.562 6.966 10.580 1.00 0.00 H new ATOM 0 HG12 VAL A 581 -4.259 5.879 9.355 1.00 0.00 H new ATOM 0 HG13 VAL A 581 -3.127 5.240 10.570 1.00 0.00 H new ATOM 0 HG21 VAL A 581 -1.188 7.636 10.448 1.00 0.00 H new ATOM 0 HG22 VAL A 581 -0.655 5.938 10.432 1.00 0.00 H new ATOM 0 HG23 VAL A 581 -0.157 7.039 9.126 1.00 0.00 H new ATOM 749 N VAL A 582 -1.880 6.265 5.936 1.00 0.00 N ATOM 750 CA VAL A 582 -1.277 6.768 4.708 1.00 0.00 C ATOM 751 C VAL A 582 -1.956 8.054 4.249 1.00 0.00 C ATOM 752 O VAL A 582 -3.183 8.160 4.261 1.00 0.00 O ATOM 753 CB VAL A 582 -1.356 5.727 3.576 1.00 0.00 C ATOM 754 CG1 VAL A 582 -0.857 6.321 2.267 1.00 0.00 C ATOM 755 CG2 VAL A 582 -0.562 4.482 3.942 1.00 0.00 C ATOM 0 H VAL A 582 -2.887 6.413 6.003 1.00 0.00 H new ATOM 0 HA VAL A 582 -0.230 6.973 4.931 1.00 0.00 H new ATOM 0 HB VAL A 582 -2.399 5.440 3.442 1.00 0.00 H new ATOM 0 HG11 VAL A 582 -0.921 5.570 1.479 1.00 0.00 H new ATOM 0 HG12 VAL A 582 -1.472 7.180 2.000 1.00 0.00 H new ATOM 0 HG13 VAL A 582 0.179 6.638 2.383 1.00 0.00 H new ATOM 0 HG21 VAL A 582 -0.628 3.757 3.131 1.00 0.00 H new ATOM 0 HG22 VAL A 582 0.482 4.751 4.104 1.00 0.00 H new ATOM 0 HG23 VAL A 582 -0.970 4.045 4.854 1.00 0.00 H new ATOM 765 N LYS A 583 -1.151 9.030 3.844 1.00 0.00 N ATOM 766 CA LYS A 583 -1.672 10.310 3.379 1.00 0.00 C ATOM 767 C LYS A 583 -1.375 10.512 1.896 1.00 0.00 C ATOM 768 O LYS A 583 -0.414 9.956 1.364 1.00 0.00 O ATOM 769 CB LYS A 583 -1.068 11.456 4.192 1.00 0.00 C ATOM 770 CG LYS A 583 -1.892 11.840 5.408 1.00 0.00 C ATOM 771 CD LYS A 583 -1.017 12.381 6.527 1.00 0.00 C ATOM 772 CE LYS A 583 -1.763 12.411 7.852 1.00 0.00 C ATOM 773 NZ LYS A 583 -2.878 13.398 7.839 1.00 0.00 N ATOM 0 H LYS A 583 -0.134 8.959 3.828 1.00 0.00 H new ATOM 0 HA LYS A 583 -2.753 10.306 3.518 1.00 0.00 H new ATOM 0 HB2 LYS A 583 -0.067 11.172 4.517 1.00 0.00 H new ATOM 0 HB3 LYS A 583 -0.958 12.328 3.548 1.00 0.00 H new ATOM 0 HG2 LYS A 583 -2.630 12.591 5.126 1.00 0.00 H new ATOM 0 HG3 LYS A 583 -2.443 10.970 5.764 1.00 0.00 H new ATOM 0 HD2 LYS A 583 -0.125 11.762 6.624 1.00 0.00 H new ATOM 0 HD3 LYS A 583 -0.681 13.387 6.274 1.00 0.00 H new ATOM 0 HE2 LYS A 583 -2.159 11.419 8.068 1.00 0.00 H new ATOM 0 HE3 LYS A 583 -1.068 12.659 8.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 583 -3.361 13.388 8.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 583 -2.498 14.349 7.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 583 -3.555 13.147 7.090 1.00 0.00 H new ATOM 787 N PHE A 584 -2.205 11.311 1.235 1.00 0.00 N ATOM 788 CA PHE A 584 -2.031 11.587 -0.186 1.00 0.00 C ATOM 789 C PHE A 584 -2.082 13.087 -0.460 1.00 0.00 C ATOM 790 O PHE A 584 -2.447 13.875 0.412 1.00 0.00 O ATOM 791 CB PHE A 584 -3.109 10.871 -1.003 1.00 0.00 C ATOM 792 CG PHE A 584 -3.017 9.374 -0.935 1.00 0.00 C ATOM 793 CD1 PHE A 584 -2.198 8.676 -1.808 1.00 0.00 C ATOM 794 CD2 PHE A 584 -3.750 8.663 0.002 1.00 0.00 C ATOM 795 CE1 PHE A 584 -2.110 7.298 -1.748 1.00 0.00 C ATOM 796 CE2 PHE A 584 -3.666 7.285 0.067 1.00 0.00 C ATOM 797 CZ PHE A 584 -2.846 6.602 -0.810 1.00 0.00 C ATOM 0 H PHE A 584 -3.005 11.779 1.661 1.00 0.00 H new ATOM 0 HA PHE A 584 -1.051 11.214 -0.485 1.00 0.00 H new ATOM 0 HB2 PHE A 584 -4.091 11.183 -0.647 1.00 0.00 H new ATOM 0 HB3 PHE A 584 -3.033 11.185 -2.044 1.00 0.00 H new ATOM 0 HD1 PHE A 584 -1.621 9.216 -2.545 1.00 0.00 H new ATOM 0 HD2 PHE A 584 -4.394 9.192 0.689 1.00 0.00 H new ATOM 0 HE1 PHE A 584 -1.467 6.767 -2.434 1.00 0.00 H new ATOM 0 HE2 PHE A 584 -4.241 6.743 0.803 1.00 0.00 H new ATOM 0 HZ PHE A 584 -2.781 5.525 -0.762 1.00 0.00 H new ATOM 807 N GLU A 585 -1.713 13.474 -1.677 1.00 0.00 N ATOM 808 CA GLU A 585 -1.716 14.880 -2.065 1.00 0.00 C ATOM 809 C GLU A 585 -3.141 15.384 -2.274 1.00 0.00 C ATOM 810 O GLU A 585 -3.495 16.477 -1.834 1.00 0.00 O ATOM 811 CB GLU A 585 -0.899 15.081 -3.343 1.00 0.00 C ATOM 812 CG GLU A 585 0.600 14.951 -3.133 1.00 0.00 C ATOM 813 CD GLU A 585 1.402 15.691 -4.187 1.00 0.00 C ATOM 814 OE1 GLU A 585 1.269 15.352 -5.381 1.00 0.00 O ATOM 815 OE2 GLU A 585 2.163 16.609 -3.816 1.00 0.00 O ATOM 0 H GLU A 585 -1.408 12.834 -2.411 1.00 0.00 H new ATOM 0 HA GLU A 585 -1.261 15.454 -1.258 1.00 0.00 H new ATOM 0 HB2 GLU A 585 -1.218 14.351 -4.087 1.00 0.00 H new ATOM 0 HB3 GLU A 585 -1.116 16.068 -3.752 1.00 0.00 H new ATOM 0 HG2 GLU A 585 0.860 15.336 -2.147 1.00 0.00 H new ATOM 0 HG3 GLU A 585 0.875 13.896 -3.146 1.00 0.00 H new ATOM 822 N SER A 586 -3.954 14.578 -2.950 1.00 0.00 N ATOM 823 CA SER A 586 -5.339 14.943 -3.222 1.00 0.00 C ATOM 824 C SER A 586 -6.297 14.112 -2.373 1.00 0.00 C ATOM 825 O SER A 586 -5.989 12.995 -1.956 1.00 0.00 O ATOM 826 CB SER A 586 -5.657 14.750 -4.706 1.00 0.00 C ATOM 827 OG SER A 586 -5.306 15.899 -5.457 1.00 0.00 O ATOM 0 H SER A 586 -3.677 13.668 -3.319 1.00 0.00 H new ATOM 0 HA SER A 586 -5.470 15.994 -2.963 1.00 0.00 H new ATOM 0 HB2 SER A 586 -5.116 13.884 -5.087 1.00 0.00 H new ATOM 0 HB3 SER A 586 -6.720 14.542 -4.829 1.00 0.00 H new ATOM 0 HG SER A 586 -5.518 15.749 -6.402 1.00 0.00 H new ATOM 833 N PRO A 587 -7.488 14.669 -2.110 1.00 0.00 N ATOM 834 CA PRO A 587 -8.517 13.998 -1.309 1.00 0.00 C ATOM 835 C PRO A 587 -9.126 12.802 -2.033 1.00 0.00 C ATOM 836 O PRO A 587 -9.528 11.824 -1.403 1.00 0.00 O ATOM 837 CB PRO A 587 -9.570 15.089 -1.099 1.00 0.00 C ATOM 838 CG PRO A 587 -9.392 16.015 -2.252 1.00 0.00 C ATOM 839 CD PRO A 587 -7.924 15.997 -2.575 1.00 0.00 C ATOM 0 HA PRO A 587 -8.112 13.593 -0.382 1.00 0.00 H new ATOM 0 HB2 PRO A 587 -10.576 14.670 -1.080 1.00 0.00 H new ATOM 0 HB3 PRO A 587 -9.422 15.605 -0.150 1.00 0.00 H new ATOM 0 HG2 PRO A 587 -9.984 15.691 -3.108 1.00 0.00 H new ATOM 0 HG3 PRO A 587 -9.723 17.022 -1.999 1.00 0.00 H new ATOM 0 HD2 PRO A 587 -7.746 16.127 -3.642 1.00 0.00 H new ATOM 0 HD3 PRO A 587 -7.390 16.797 -2.063 1.00 0.00 H new ATOM 847 N GLU A 588 -9.191 12.887 -3.358 1.00 0.00 N ATOM 848 CA GLU A 588 -9.752 11.811 -4.165 1.00 0.00 C ATOM 849 C GLU A 588 -8.856 10.576 -4.124 1.00 0.00 C ATOM 850 O GLU A 588 -9.339 9.444 -4.132 1.00 0.00 O ATOM 851 CB GLU A 588 -9.936 12.272 -5.613 1.00 0.00 C ATOM 852 CG GLU A 588 -10.736 11.300 -6.464 1.00 0.00 C ATOM 853 CD GLU A 588 -12.232 11.534 -6.367 1.00 0.00 C ATOM 854 OE1 GLU A 588 -12.737 11.674 -5.234 1.00 0.00 O ATOM 855 OE2 GLU A 588 -12.895 11.577 -7.424 1.00 0.00 O ATOM 0 H GLU A 588 -8.862 13.690 -3.895 1.00 0.00 H new ATOM 0 HA GLU A 588 -10.724 11.548 -3.748 1.00 0.00 H new ATOM 0 HB2 GLU A 588 -10.435 13.241 -5.616 1.00 0.00 H new ATOM 0 HB3 GLU A 588 -8.956 12.417 -6.067 1.00 0.00 H new ATOM 0 HG2 GLU A 588 -10.424 11.392 -7.504 1.00 0.00 H new ATOM 0 HG3 GLU A 588 -10.511 10.280 -6.153 1.00 0.00 H new ATOM 862 N VAL A 589 -7.547 10.803 -4.081 1.00 0.00 N ATOM 863 CA VAL A 589 -6.582 9.711 -4.038 1.00 0.00 C ATOM 864 C VAL A 589 -6.619 8.998 -2.690 1.00 0.00 C ATOM 865 O VAL A 589 -6.213 7.842 -2.577 1.00 0.00 O ATOM 866 CB VAL A 589 -5.151 10.215 -4.301 1.00 0.00 C ATOM 867 CG1 VAL A 589 -4.140 9.105 -4.056 1.00 0.00 C ATOM 868 CG2 VAL A 589 -5.029 10.755 -5.718 1.00 0.00 C ATOM 0 H VAL A 589 -7.130 11.734 -4.075 1.00 0.00 H new ATOM 0 HA VAL A 589 -6.862 9.010 -4.825 1.00 0.00 H new ATOM 0 HB VAL A 589 -4.937 11.028 -3.607 1.00 0.00 H new ATOM 0 HG11 VAL A 589 -3.135 9.480 -4.247 1.00 0.00 H new ATOM 0 HG12 VAL A 589 -4.212 8.769 -3.021 1.00 0.00 H new ATOM 0 HG13 VAL A 589 -4.348 8.269 -4.724 1.00 0.00 H new ATOM 0 HG21 VAL A 589 -4.011 11.107 -5.887 1.00 0.00 H new ATOM 0 HG22 VAL A 589 -5.262 9.964 -6.430 1.00 0.00 H new ATOM 0 HG23 VAL A 589 -5.726 11.582 -5.854 1.00 0.00 H new ATOM 878 N ALA A 590 -7.107 9.697 -1.671 1.00 0.00 N ATOM 879 CA ALA A 590 -7.199 9.130 -0.331 1.00 0.00 C ATOM 880 C ALA A 590 -8.269 8.046 -0.266 1.00 0.00 C ATOM 881 O ALA A 590 -7.981 6.897 0.070 1.00 0.00 O ATOM 882 CB ALA A 590 -7.492 10.224 0.686 1.00 0.00 C ATOM 0 H ALA A 590 -7.445 10.656 -1.747 1.00 0.00 H new ATOM 0 HA ALA A 590 -6.239 8.672 -0.090 1.00 0.00 H new ATOM 0 HB1 ALA A 590 -7.558 9.787 1.682 1.00 0.00 H new ATOM 0 HB2 ALA A 590 -6.691 10.963 0.667 1.00 0.00 H new ATOM 0 HB3 ALA A 590 -8.437 10.707 0.439 1.00 0.00 H new ATOM 888 N GLU A 591 -9.504 8.418 -0.588 1.00 0.00 N ATOM 889 CA GLU A 591 -10.616 7.476 -0.563 1.00 0.00 C ATOM 890 C GLU A 591 -10.479 6.443 -1.679 1.00 0.00 C ATOM 891 O GLU A 591 -10.916 5.301 -1.539 1.00 0.00 O ATOM 892 CB GLU A 591 -11.946 8.219 -0.703 1.00 0.00 C ATOM 893 CG GLU A 591 -12.405 8.382 -2.142 1.00 0.00 C ATOM 894 CD GLU A 591 -13.407 9.507 -2.311 1.00 0.00 C ATOM 895 OE1 GLU A 591 -13.006 10.683 -2.178 1.00 0.00 O ATOM 896 OE2 GLU A 591 -14.591 9.213 -2.575 1.00 0.00 O ATOM 0 H GLU A 591 -9.759 9.365 -0.869 1.00 0.00 H new ATOM 0 HA GLU A 591 -10.597 6.956 0.395 1.00 0.00 H new ATOM 0 HB2 GLU A 591 -12.713 7.682 -0.145 1.00 0.00 H new ATOM 0 HB3 GLU A 591 -11.851 9.205 -0.247 1.00 0.00 H new ATOM 0 HG2 GLU A 591 -11.539 8.573 -2.776 1.00 0.00 H new ATOM 0 HG3 GLU A 591 -12.851 7.449 -2.485 1.00 0.00 H new ATOM 903 N ARG A 592 -9.869 6.854 -2.786 1.00 0.00 N ATOM 904 CA ARG A 592 -9.675 5.967 -3.926 1.00 0.00 C ATOM 905 C ARG A 592 -8.801 4.775 -3.545 1.00 0.00 C ATOM 906 O ARG A 592 -9.103 3.635 -3.895 1.00 0.00 O ATOM 907 CB ARG A 592 -9.038 6.728 -5.090 1.00 0.00 C ATOM 908 CG ARG A 592 -8.401 5.825 -6.133 1.00 0.00 C ATOM 909 CD ARG A 592 -6.927 5.590 -5.842 1.00 0.00 C ATOM 910 NE ARG A 592 -6.076 6.580 -6.497 1.00 0.00 N ATOM 911 CZ ARG A 592 -5.952 6.686 -7.815 1.00 0.00 C ATOM 912 NH1 ARG A 592 -6.621 5.867 -8.615 1.00 0.00 N ATOM 913 NH2 ARG A 592 -5.158 7.612 -8.336 1.00 0.00 N ATOM 0 H ARG A 592 -9.501 7.796 -2.917 1.00 0.00 H new ATOM 0 HA ARG A 592 -10.652 5.596 -4.235 1.00 0.00 H new ATOM 0 HB2 ARG A 592 -9.799 7.343 -5.570 1.00 0.00 H new ATOM 0 HB3 ARG A 592 -8.280 7.407 -4.698 1.00 0.00 H new ATOM 0 HG2 ARG A 592 -8.925 4.869 -6.157 1.00 0.00 H new ATOM 0 HG3 ARG A 592 -8.511 6.274 -7.120 1.00 0.00 H new ATOM 0 HD2 ARG A 592 -6.760 5.624 -4.765 1.00 0.00 H new ATOM 0 HD3 ARG A 592 -6.646 4.592 -6.177 1.00 0.00 H new ATOM 0 HE ARG A 592 -5.548 7.225 -5.910 1.00 0.00 H new ATOM 0 HH11 ARG A 592 -7.233 5.154 -8.218 1.00 0.00 H new ATOM 0 HH12 ARG A 592 -6.524 5.951 -9.627 1.00 0.00 H new ATOM 0 HH21 ARG A 592 -4.642 8.244 -7.724 1.00 0.00 H new ATOM 0 HH22 ARG A 592 -5.064 7.692 -9.348 1.00 0.00 H new ATOM 927 N ALA A 593 -7.717 5.049 -2.827 1.00 0.00 N ATOM 928 CA ALA A 593 -6.800 4.000 -2.397 1.00 0.00 C ATOM 929 C ALA A 593 -7.511 2.973 -1.523 1.00 0.00 C ATOM 930 O ALA A 593 -7.161 1.792 -1.526 1.00 0.00 O ATOM 931 CB ALA A 593 -5.619 4.604 -1.651 1.00 0.00 C ATOM 0 H ALA A 593 -7.452 5.988 -2.531 1.00 0.00 H new ATOM 0 HA ALA A 593 -6.431 3.488 -3.286 1.00 0.00 H new ATOM 0 HB1 ALA A 593 -4.943 3.809 -1.336 1.00 0.00 H new ATOM 0 HB2 ALA A 593 -5.088 5.293 -2.307 1.00 0.00 H new ATOM 0 HB3 ALA A 593 -5.979 5.143 -0.774 1.00 0.00 H new ATOM 937 N CYS A 594 -8.510 3.430 -0.776 1.00 0.00 N ATOM 938 CA CYS A 594 -9.270 2.551 0.106 1.00 0.00 C ATOM 939 C CYS A 594 -10.105 1.562 -0.701 1.00 0.00 C ATOM 940 O CYS A 594 -10.551 0.540 -0.179 1.00 0.00 O ATOM 941 CB CYS A 594 -10.176 3.373 1.023 1.00 0.00 C ATOM 942 SG CYS A 594 -9.346 4.019 2.494 1.00 0.00 S ATOM 0 H CYS A 594 -8.813 4.404 -0.763 1.00 0.00 H new ATOM 0 HA CYS A 594 -8.563 1.989 0.716 1.00 0.00 H new ATOM 0 HB2 CYS A 594 -10.588 4.207 0.456 1.00 0.00 H new ATOM 0 HB3 CYS A 594 -11.017 2.754 1.336 1.00 0.00 H new ATOM 0 HG CYS A 594 -9.755 5.231 2.726 1.00 0.00 H new ATOM 948 N ARG A 595 -10.315 1.875 -1.976 1.00 0.00 N ATOM 949 CA ARG A 595 -11.099 1.016 -2.854 1.00 0.00 C ATOM 950 C ARG A 595 -10.199 0.041 -3.608 1.00 0.00 C ATOM 951 O ARG A 595 -10.557 -1.118 -3.813 1.00 0.00 O ATOM 952 CB ARG A 595 -11.899 1.860 -3.848 1.00 0.00 C ATOM 953 CG ARG A 595 -12.983 2.703 -3.197 1.00 0.00 C ATOM 954 CD ARG A 595 -13.769 3.496 -4.230 1.00 0.00 C ATOM 955 NE ARG A 595 -14.811 4.314 -3.615 1.00 0.00 N ATOM 956 CZ ARG A 595 -15.684 5.035 -4.310 1.00 0.00 C ATOM 957 NH1 ARG A 595 -15.641 5.039 -5.635 1.00 0.00 N ATOM 958 NH2 ARG A 595 -16.603 5.754 -3.679 1.00 0.00 N ATOM 0 H ARG A 595 -9.953 2.717 -2.423 1.00 0.00 H new ATOM 0 HA ARG A 595 -11.790 0.442 -2.236 1.00 0.00 H new ATOM 0 HB2 ARG A 595 -11.216 2.516 -4.387 1.00 0.00 H new ATOM 0 HB3 ARG A 595 -12.357 1.201 -4.585 1.00 0.00 H new ATOM 0 HG2 ARG A 595 -13.661 2.057 -2.639 1.00 0.00 H new ATOM 0 HG3 ARG A 595 -12.531 3.387 -2.479 1.00 0.00 H new ATOM 0 HD2 ARG A 595 -13.088 4.137 -4.790 1.00 0.00 H new ATOM 0 HD3 ARG A 595 -14.222 2.810 -4.946 1.00 0.00 H new ATOM 0 HE ARG A 595 -14.872 4.333 -2.597 1.00 0.00 H new ATOM 0 HH11 ARG A 595 -14.936 4.487 -6.124 1.00 0.00 H new ATOM 0 HH12 ARG A 595 -16.313 5.594 -6.165 1.00 0.00 H new ATOM 0 HH21 ARG A 595 -16.640 5.754 -2.660 1.00 0.00 H new ATOM 0 HH22 ARG A 595 -17.273 6.307 -4.213 1.00 0.00 H new ATOM 972 N MET A 596 -9.029 0.521 -4.018 1.00 0.00 N ATOM 973 CA MET A 596 -8.077 -0.308 -4.748 1.00 0.00 C ATOM 974 C MET A 596 -7.305 -1.217 -3.796 1.00 0.00 C ATOM 975 O MET A 596 -7.238 -2.429 -3.998 1.00 0.00 O ATOM 976 CB MET A 596 -7.103 0.569 -5.536 1.00 0.00 C ATOM 977 CG MET A 596 -7.768 1.372 -6.643 1.00 0.00 C ATOM 978 SD MET A 596 -6.676 1.652 -8.050 1.00 0.00 S ATOM 979 CE MET A 596 -5.450 2.733 -7.317 1.00 0.00 C ATOM 0 H MET A 596 -8.718 1.479 -3.857 1.00 0.00 H new ATOM 0 HA MET A 596 -8.637 -0.932 -5.444 1.00 0.00 H new ATOM 0 HB2 MET A 596 -6.607 1.254 -4.849 1.00 0.00 H new ATOM 0 HB3 MET A 596 -6.329 -0.063 -5.971 1.00 0.00 H new ATOM 0 HG2 MET A 596 -8.662 0.847 -6.981 1.00 0.00 H new ATOM 0 HG3 MET A 596 -8.094 2.333 -6.244 1.00 0.00 H new ATOM 0 HE1 MET A 596 -5.424 3.676 -7.863 1.00 0.00 H new ATOM 0 HE2 MET A 596 -5.709 2.924 -6.276 1.00 0.00 H new ATOM 0 HE3 MET A 596 -4.470 2.258 -7.366 1.00 0.00 H new ATOM 989 N MET A 597 -6.725 -0.622 -2.759 1.00 0.00 N ATOM 990 CA MET A 597 -5.958 -1.379 -1.775 1.00 0.00 C ATOM 991 C MET A 597 -6.856 -2.354 -1.020 1.00 0.00 C ATOM 992 O MET A 597 -6.719 -3.569 -1.153 1.00 0.00 O ATOM 993 CB MET A 597 -5.273 -0.430 -0.791 1.00 0.00 C ATOM 994 CG MET A 597 -4.387 0.607 -1.462 1.00 0.00 C ATOM 995 SD MET A 597 -3.511 -0.051 -2.894 1.00 0.00 S ATOM 996 CE MET A 597 -2.075 -0.778 -2.107 1.00 0.00 C ATOM 0 H MET A 597 -6.771 0.381 -2.578 1.00 0.00 H new ATOM 0 HA MET A 597 -5.197 -1.951 -2.305 1.00 0.00 H new ATOM 0 HB2 MET A 597 -6.035 0.081 -0.202 1.00 0.00 H new ATOM 0 HB3 MET A 597 -4.671 -1.014 -0.095 1.00 0.00 H new ATOM 0 HG2 MET A 597 -4.998 1.455 -1.772 1.00 0.00 H new ATOM 0 HG3 MET A 597 -3.663 0.983 -0.739 1.00 0.00 H new ATOM 0 HE1 MET A 597 -1.180 -0.236 -2.411 1.00 0.00 H new ATOM 0 HE2 MET A 597 -2.184 -0.719 -1.024 1.00 0.00 H new ATOM 0 HE3 MET A 597 -1.986 -1.822 -2.406 1.00 0.00 H new ATOM 1006 N ASN A 598 -7.774 -1.812 -0.226 1.00 0.00 N ATOM 1007 CA ASN A 598 -8.693 -2.635 0.552 1.00 0.00 C ATOM 1008 C ASN A 598 -9.108 -3.876 -0.232 1.00 0.00 C ATOM 1009 O ASN A 598 -9.605 -3.777 -1.353 1.00 0.00 O ATOM 1010 CB ASN A 598 -9.931 -1.825 0.940 1.00 0.00 C ATOM 1011 CG ASN A 598 -10.785 -2.533 1.974 1.00 0.00 C ATOM 1012 OD1 ASN A 598 -10.690 -3.749 2.146 1.00 0.00 O ATOM 1013 ND2 ASN A 598 -11.625 -1.775 2.668 1.00 0.00 N ATOM 0 H ASN A 598 -7.901 -0.807 -0.105 1.00 0.00 H new ATOM 0 HA ASN A 598 -8.178 -2.955 1.458 1.00 0.00 H new ATOM 0 HB2 ASN A 598 -9.620 -0.856 1.331 1.00 0.00 H new ATOM 0 HB3 ASN A 598 -10.529 -1.632 0.049 1.00 0.00 H new ATOM 0 HD21 ASN A 598 -12.225 -2.196 3.377 1.00 0.00 H new ATOM 0 HD22 ASN A 598 -11.670 -0.771 2.492 1.00 0.00 H new ATOM 1020 N GLY A 599 -8.902 -5.045 0.368 1.00 0.00 N ATOM 1021 CA GLY A 599 -9.261 -6.288 -0.288 1.00 0.00 C ATOM 1022 C GLY A 599 -8.054 -7.026 -0.834 1.00 0.00 C ATOM 1023 O GLY A 599 -8.194 -8.046 -1.507 1.00 0.00 O ATOM 0 H GLY A 599 -8.493 -5.153 1.296 1.00 0.00 H new ATOM 0 HA2 GLY A 599 -9.786 -6.930 0.419 1.00 0.00 H new ATOM 0 HA3 GLY A 599 -9.954 -6.078 -1.103 1.00 0.00 H new ATOM 1027 N MET A 600 -6.865 -6.506 -0.545 1.00 0.00 N ATOM 1028 CA MET A 600 -5.629 -7.122 -1.013 1.00 0.00 C ATOM 1029 C MET A 600 -4.984 -7.953 0.092 1.00 0.00 C ATOM 1030 O MET A 600 -4.589 -7.424 1.131 1.00 0.00 O ATOM 1031 CB MET A 600 -4.651 -6.050 -1.497 1.00 0.00 C ATOM 1032 CG MET A 600 -4.118 -5.165 -0.382 1.00 0.00 C ATOM 1033 SD MET A 600 -3.419 -3.620 -0.995 1.00 0.00 S ATOM 1034 CE MET A 600 -2.433 -3.113 0.411 1.00 0.00 C ATOM 0 H MET A 600 -6.732 -5.661 0.010 1.00 0.00 H new ATOM 0 HA MET A 600 -5.874 -7.782 -1.845 1.00 0.00 H new ATOM 0 HB2 MET A 600 -3.812 -6.534 -1.997 1.00 0.00 H new ATOM 0 HB3 MET A 600 -5.148 -5.425 -2.239 1.00 0.00 H new ATOM 0 HG2 MET A 600 -4.924 -4.942 0.317 1.00 0.00 H new ATOM 0 HG3 MET A 600 -3.355 -5.709 0.175 1.00 0.00 H new ATOM 0 HE1 MET A 600 -1.520 -2.632 0.061 1.00 0.00 H new ATOM 0 HE2 MET A 600 -3.002 -2.411 1.020 1.00 0.00 H new ATOM 0 HE3 MET A 600 -2.176 -3.987 1.010 1.00 0.00 H new ATOM 1044 N LYS A 601 -4.880 -9.258 -0.139 1.00 0.00 N ATOM 1045 CA LYS A 601 -4.282 -10.162 0.836 1.00 0.00 C ATOM 1046 C LYS A 601 -2.759 -10.101 0.772 1.00 0.00 C ATOM 1047 O LYS A 601 -2.144 -10.648 -0.144 1.00 0.00 O ATOM 1048 CB LYS A 601 -4.757 -11.596 0.590 1.00 0.00 C ATOM 1049 CG LYS A 601 -6.230 -11.810 0.892 1.00 0.00 C ATOM 1050 CD LYS A 601 -6.557 -13.285 1.054 1.00 0.00 C ATOM 1051 CE LYS A 601 -7.879 -13.486 1.778 1.00 0.00 C ATOM 1052 NZ LYS A 601 -8.301 -14.914 1.776 1.00 0.00 N ATOM 0 H LYS A 601 -5.202 -9.713 -0.993 1.00 0.00 H new ATOM 0 HA LYS A 601 -4.599 -9.846 1.830 1.00 0.00 H new ATOM 0 HB2 LYS A 601 -4.566 -11.859 -0.450 1.00 0.00 H new ATOM 0 HB3 LYS A 601 -4.166 -12.276 1.204 1.00 0.00 H new ATOM 0 HG2 LYS A 601 -6.497 -11.275 1.803 1.00 0.00 H new ATOM 0 HG3 LYS A 601 -6.832 -11.389 0.087 1.00 0.00 H new ATOM 0 HD2 LYS A 601 -6.602 -13.759 0.073 1.00 0.00 H new ATOM 0 HD3 LYS A 601 -5.758 -13.777 1.609 1.00 0.00 H new ATOM 0 HE2 LYS A 601 -7.787 -13.136 2.806 1.00 0.00 H new ATOM 0 HE3 LYS A 601 -8.649 -12.879 1.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 601 -9.206 -15.009 2.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 601 -8.414 -15.241 0.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 601 -7.578 -15.490 2.252 1.00 0.00 H new ATOM 1066 N LEU A 602 -2.157 -9.435 1.751 1.00 0.00 N ATOM 1067 CA LEU A 602 -0.705 -9.304 1.807 1.00 0.00 C ATOM 1068 C LEU A 602 -0.061 -10.596 2.301 1.00 0.00 C ATOM 1069 O LEU A 602 0.037 -10.831 3.505 1.00 0.00 O ATOM 1070 CB LEU A 602 -0.313 -8.143 2.722 1.00 0.00 C ATOM 1071 CG LEU A 602 -0.884 -6.773 2.351 1.00 0.00 C ATOM 1072 CD1 LEU A 602 -0.084 -5.664 3.016 1.00 0.00 C ATOM 1073 CD2 LEU A 602 -0.896 -6.593 0.840 1.00 0.00 C ATOM 0 H LEU A 602 -2.652 -8.977 2.517 1.00 0.00 H new ATOM 0 HA LEU A 602 -0.344 -9.102 0.799 1.00 0.00 H new ATOM 0 HB2 LEU A 602 -0.630 -8.384 3.737 1.00 0.00 H new ATOM 0 HB3 LEU A 602 0.774 -8.069 2.736 1.00 0.00 H new ATOM 0 HG LEU A 602 -1.911 -6.718 2.712 1.00 0.00 H new ATOM 0 HD11 LEU A 602 -0.504 -4.697 2.741 1.00 0.00 H new ATOM 0 HD12 LEU A 602 -0.127 -5.783 4.099 1.00 0.00 H new ATOM 0 HD13 LEU A 602 0.954 -5.716 2.686 1.00 0.00 H new ATOM 0 HD21 LEU A 602 -1.305 -5.613 0.594 1.00 0.00 H new ATOM 0 HD22 LEU A 602 0.122 -6.668 0.457 1.00 0.00 H new ATOM 0 HD23 LEU A 602 -1.513 -7.368 0.386 1.00 0.00 H new ATOM 1085 N SER A 603 0.378 -11.428 1.362 1.00 0.00 N ATOM 1086 CA SER A 603 1.012 -12.696 1.702 1.00 0.00 C ATOM 1087 C SER A 603 0.019 -13.636 2.378 1.00 0.00 C ATOM 1088 O SER A 603 0.401 -14.489 3.178 1.00 0.00 O ATOM 1089 CB SER A 603 2.215 -12.461 2.618 1.00 0.00 C ATOM 1090 OG SER A 603 3.192 -13.473 2.448 1.00 0.00 O ATOM 0 H SER A 603 0.306 -11.247 0.361 1.00 0.00 H new ATOM 0 HA SER A 603 1.355 -13.161 0.778 1.00 0.00 H new ATOM 0 HB2 SER A 603 2.655 -11.487 2.403 1.00 0.00 H new ATOM 0 HB3 SER A 603 1.886 -12.440 3.657 1.00 0.00 H new ATOM 0 HG SER A 603 3.951 -13.299 3.043 1.00 0.00 H new ATOM 1096 N GLY A 604 -1.259 -13.473 2.049 1.00 0.00 N ATOM 1097 CA GLY A 604 -2.288 -14.313 2.634 1.00 0.00 C ATOM 1098 C GLY A 604 -2.949 -13.668 3.836 1.00 0.00 C ATOM 1099 O GLY A 604 -3.467 -14.360 4.713 1.00 0.00 O ATOM 0 H GLY A 604 -1.600 -12.775 1.388 1.00 0.00 H new ATOM 0 HA2 GLY A 604 -3.045 -14.532 1.881 1.00 0.00 H new ATOM 0 HA3 GLY A 604 -1.849 -15.265 2.932 1.00 0.00 H new ATOM 1103 N ARG A 605 -2.930 -12.340 3.879 1.00 0.00 N ATOM 1104 CA ARG A 605 -3.529 -11.603 4.984 1.00 0.00 C ATOM 1105 C ARG A 605 -4.430 -10.485 4.467 1.00 0.00 C ATOM 1106 O ARG A 605 -3.952 -9.506 3.894 1.00 0.00 O ATOM 1107 CB ARG A 605 -2.440 -11.019 5.886 1.00 0.00 C ATOM 1108 CG ARG A 605 -1.588 -12.074 6.572 1.00 0.00 C ATOM 1109 CD ARG A 605 -1.056 -11.578 7.908 1.00 0.00 C ATOM 1110 NE ARG A 605 -0.034 -12.467 8.454 1.00 0.00 N ATOM 1111 CZ ARG A 605 0.344 -12.457 9.727 1.00 0.00 C ATOM 1112 NH1 ARG A 605 -0.214 -11.610 10.581 1.00 0.00 N ATOM 1113 NH2 ARG A 605 1.281 -13.297 10.149 1.00 0.00 N ATOM 0 H ARG A 605 -2.506 -11.753 3.161 1.00 0.00 H new ATOM 0 HA ARG A 605 -4.137 -12.298 5.563 1.00 0.00 H new ATOM 0 HB2 ARG A 605 -1.794 -10.373 5.291 1.00 0.00 H new ATOM 0 HB3 ARG A 605 -2.907 -10.391 6.645 1.00 0.00 H new ATOM 0 HG2 ARG A 605 -2.179 -12.976 6.727 1.00 0.00 H new ATOM 0 HG3 ARG A 605 -0.754 -12.347 5.925 1.00 0.00 H new ATOM 0 HD2 ARG A 605 -0.638 -10.579 7.784 1.00 0.00 H new ATOM 0 HD3 ARG A 605 -1.879 -11.493 8.617 1.00 0.00 H new ATOM 0 HE ARG A 605 0.414 -13.132 7.823 1.00 0.00 H new ATOM 0 HH11 ARG A 605 -0.935 -10.964 10.261 1.00 0.00 H new ATOM 0 HH12 ARG A 605 0.078 -11.604 11.558 1.00 0.00 H new ATOM 0 HH21 ARG A 605 1.711 -13.951 9.495 1.00 0.00 H new ATOM 0 HH22 ARG A 605 1.571 -13.288 11.127 1.00 0.00 H new ATOM 1127 N GLU A 606 -5.734 -10.638 4.674 1.00 0.00 N ATOM 1128 CA GLU A 606 -6.700 -9.642 4.227 1.00 0.00 C ATOM 1129 C GLU A 606 -6.634 -8.391 5.099 1.00 0.00 C ATOM 1130 O GLU A 606 -6.477 -8.478 6.317 1.00 0.00 O ATOM 1131 CB GLU A 606 -8.116 -10.223 4.256 1.00 0.00 C ATOM 1132 CG GLU A 606 -9.018 -9.682 3.159 1.00 0.00 C ATOM 1133 CD GLU A 606 -10.477 -9.644 3.570 1.00 0.00 C ATOM 1134 OE1 GLU A 606 -11.184 -10.647 3.342 1.00 0.00 O ATOM 1135 OE2 GLU A 606 -10.911 -8.610 4.120 1.00 0.00 O ATOM 0 H GLU A 606 -6.145 -11.442 5.148 1.00 0.00 H new ATOM 0 HA GLU A 606 -6.450 -9.364 3.203 1.00 0.00 H new ATOM 0 HB2 GLU A 606 -8.057 -11.308 4.164 1.00 0.00 H new ATOM 0 HB3 GLU A 606 -8.568 -10.009 5.225 1.00 0.00 H new ATOM 0 HG2 GLU A 606 -8.694 -8.677 2.890 1.00 0.00 H new ATOM 0 HG3 GLU A 606 -8.911 -10.301 2.268 1.00 0.00 H new ATOM 1142 N ILE A 607 -6.755 -7.229 4.465 1.00 0.00 N ATOM 1143 CA ILE A 607 -6.710 -5.961 5.182 1.00 0.00 C ATOM 1144 C ILE A 607 -7.932 -5.106 4.864 1.00 0.00 C ATOM 1145 O ILE A 607 -8.545 -5.251 3.806 1.00 0.00 O ATOM 1146 CB ILE A 607 -5.437 -5.165 4.839 1.00 0.00 C ATOM 1147 CG1 ILE A 607 -5.169 -5.214 3.334 1.00 0.00 C ATOM 1148 CG2 ILE A 607 -4.246 -5.712 5.613 1.00 0.00 C ATOM 1149 CD1 ILE A 607 -3.927 -4.457 2.916 1.00 0.00 C ATOM 0 H ILE A 607 -6.885 -7.140 3.457 1.00 0.00 H new ATOM 0 HA ILE A 607 -6.704 -6.200 6.245 1.00 0.00 H new ATOM 0 HB ILE A 607 -5.587 -4.125 5.128 1.00 0.00 H new ATOM 0 HG12 ILE A 607 -5.072 -6.255 3.024 1.00 0.00 H new ATOM 0 HG13 ILE A 607 -6.030 -4.803 2.806 1.00 0.00 H new ATOM 0 HG21 ILE A 607 -3.354 -5.139 5.360 1.00 0.00 H new ATOM 0 HG22 ILE A 607 -4.439 -5.630 6.683 1.00 0.00 H new ATOM 0 HG23 ILE A 607 -4.092 -6.759 5.351 1.00 0.00 H new ATOM 0 HD11 ILE A 607 -3.800 -4.535 1.836 1.00 0.00 H new ATOM 0 HD12 ILE A 607 -4.029 -3.408 3.195 1.00 0.00 H new ATOM 0 HD13 ILE A 607 -3.056 -4.882 3.416 1.00 0.00 H new ATOM 1161 N ASP A 608 -8.278 -4.213 5.785 1.00 0.00 N ATOM 1162 CA ASP A 608 -9.425 -3.331 5.601 1.00 0.00 C ATOM 1163 C ASP A 608 -8.989 -1.870 5.579 1.00 0.00 C ATOM 1164 O ASP A 608 -8.797 -1.252 6.626 1.00 0.00 O ATOM 1165 CB ASP A 608 -10.450 -3.553 6.715 1.00 0.00 C ATOM 1166 CG ASP A 608 -11.467 -4.620 6.362 1.00 0.00 C ATOM 1167 OD1 ASP A 608 -12.025 -4.562 5.246 1.00 0.00 O ATOM 1168 OD2 ASP A 608 -11.704 -5.514 7.201 1.00 0.00 O ATOM 0 H ASP A 608 -7.781 -4.081 6.666 1.00 0.00 H new ATOM 0 HA ASP A 608 -9.885 -3.569 4.642 1.00 0.00 H new ATOM 0 HB2 ASP A 608 -9.931 -3.838 7.630 1.00 0.00 H new ATOM 0 HB3 ASP A 608 -10.967 -2.616 6.921 1.00 0.00 H new ATOM 1173 N VAL A 609 -8.832 -1.323 4.377 1.00 0.00 N ATOM 1174 CA VAL A 609 -8.418 0.067 4.218 1.00 0.00 C ATOM 1175 C VAL A 609 -9.626 0.988 4.087 1.00 0.00 C ATOM 1176 O VAL A 609 -10.395 0.889 3.131 1.00 0.00 O ATOM 1177 CB VAL A 609 -7.515 0.245 2.983 1.00 0.00 C ATOM 1178 CG1 VAL A 609 -6.775 1.572 3.050 1.00 0.00 C ATOM 1179 CG2 VAL A 609 -6.537 -0.915 2.868 1.00 0.00 C ATOM 0 H VAL A 609 -8.985 -1.821 3.500 1.00 0.00 H new ATOM 0 HA VAL A 609 -7.855 0.335 5.112 1.00 0.00 H new ATOM 0 HB VAL A 609 -8.143 0.251 2.092 1.00 0.00 H new ATOM 0 HG11 VAL A 609 -6.142 1.680 2.169 1.00 0.00 H new ATOM 0 HG12 VAL A 609 -7.496 2.389 3.082 1.00 0.00 H new ATOM 0 HG13 VAL A 609 -6.156 1.599 3.947 1.00 0.00 H new ATOM 0 HG21 VAL A 609 -5.906 -0.774 1.990 1.00 0.00 H new ATOM 0 HG22 VAL A 609 -5.913 -0.954 3.761 1.00 0.00 H new ATOM 0 HG23 VAL A 609 -7.090 -1.849 2.771 1.00 0.00 H new ATOM 1189 N ARG A 610 -9.786 1.885 5.055 1.00 0.00 N ATOM 1190 CA ARG A 610 -10.901 2.824 5.049 1.00 0.00 C ATOM 1191 C ARG A 610 -10.408 4.253 5.257 1.00 0.00 C ATOM 1192 O ARG A 610 -9.222 4.483 5.496 1.00 0.00 O ATOM 1193 CB ARG A 610 -11.910 2.458 6.139 1.00 0.00 C ATOM 1194 CG ARG A 610 -12.282 0.984 6.154 1.00 0.00 C ATOM 1195 CD ARG A 610 -13.015 0.581 4.884 1.00 0.00 C ATOM 1196 NE ARG A 610 -13.930 -0.534 5.111 1.00 0.00 N ATOM 1197 CZ ARG A 610 -14.935 -0.838 4.296 1.00 0.00 C ATOM 1198 NH1 ARG A 610 -15.152 -0.113 3.207 1.00 0.00 N ATOM 1199 NH2 ARG A 610 -15.724 -1.868 4.570 1.00 0.00 N ATOM 0 H ARG A 610 -9.158 1.981 5.853 1.00 0.00 H new ATOM 0 HA ARG A 610 -11.389 2.763 4.076 1.00 0.00 H new ATOM 0 HB2 ARG A 610 -11.497 2.730 7.111 1.00 0.00 H new ATOM 0 HB3 ARG A 610 -12.814 3.051 6.000 1.00 0.00 H new ATOM 0 HG2 ARG A 610 -11.380 0.381 6.262 1.00 0.00 H new ATOM 0 HG3 ARG A 610 -12.910 0.775 7.020 1.00 0.00 H new ATOM 0 HD2 ARG A 610 -13.573 1.435 4.501 1.00 0.00 H new ATOM 0 HD3 ARG A 610 -12.290 0.305 4.119 1.00 0.00 H new ATOM 0 HE ARG A 610 -13.790 -1.111 5.940 1.00 0.00 H new ATOM 0 HH11 ARG A 610 -14.547 0.680 2.993 1.00 0.00 H new ATOM 0 HH12 ARG A 610 -15.924 -0.348 2.583 1.00 0.00 H new ATOM 0 HH21 ARG A 610 -15.560 -2.428 5.407 1.00 0.00 H new ATOM 0 HH22 ARG A 610 -16.495 -2.101 3.944 1.00 0.00 H new ATOM 1213 N ILE A 611 -11.326 5.210 5.164 1.00 0.00 N ATOM 1214 CA ILE A 611 -10.985 6.616 5.343 1.00 0.00 C ATOM 1215 C ILE A 611 -10.974 6.995 6.819 1.00 0.00 C ATOM 1216 O ILE A 611 -11.962 6.804 7.528 1.00 0.00 O ATOM 1217 CB ILE A 611 -11.970 7.533 4.596 1.00 0.00 C ATOM 1218 CG1 ILE A 611 -11.763 7.417 3.084 1.00 0.00 C ATOM 1219 CG2 ILE A 611 -11.800 8.975 5.050 1.00 0.00 C ATOM 1220 CD1 ILE A 611 -10.480 8.055 2.599 1.00 0.00 C ATOM 0 H ILE A 611 -12.311 5.037 4.966 1.00 0.00 H new ATOM 0 HA ILE A 611 -9.987 6.754 4.928 1.00 0.00 H new ATOM 0 HB ILE A 611 -12.986 7.216 4.830 1.00 0.00 H new ATOM 0 HG12 ILE A 611 -11.763 6.363 2.805 1.00 0.00 H new ATOM 0 HG13 ILE A 611 -12.606 7.882 2.573 1.00 0.00 H new ATOM 0 HG21 ILE A 611 -12.503 9.611 4.513 1.00 0.00 H new ATOM 0 HG22 ILE A 611 -11.993 9.045 6.121 1.00 0.00 H new ATOM 0 HG23 ILE A 611 -10.782 9.304 4.843 1.00 0.00 H new ATOM 0 HD11 ILE A 611 -10.400 7.935 1.519 1.00 0.00 H new ATOM 0 HD12 ILE A 611 -10.485 9.117 2.846 1.00 0.00 H new ATOM 0 HD13 ILE A 611 -9.629 7.574 3.082 1.00 0.00 H new ATOM 1232 N ASP A 612 -9.849 7.536 7.277 1.00 0.00 N ATOM 1233 CA ASP A 612 -9.710 7.946 8.670 1.00 0.00 C ATOM 1234 C ASP A 612 -9.996 9.436 8.828 1.00 0.00 C ATOM 1235 O ASP A 612 -9.087 10.263 8.756 1.00 0.00 O ATOM 1236 CB ASP A 612 -8.303 7.626 9.179 1.00 0.00 C ATOM 1237 CG ASP A 612 -8.279 7.331 10.666 1.00 0.00 C ATOM 1238 OD1 ASP A 612 -8.606 6.188 11.049 1.00 0.00 O ATOM 1239 OD2 ASP A 612 -7.933 8.242 11.446 1.00 0.00 O ATOM 0 H ASP A 612 -9.021 7.700 6.704 1.00 0.00 H new ATOM 0 HA ASP A 612 -10.437 7.390 9.262 1.00 0.00 H new ATOM 0 HB2 ASP A 612 -7.909 6.768 8.635 1.00 0.00 H new ATOM 0 HB3 ASP A 612 -7.643 8.467 8.968 1.00 0.00 H new ATOM 1244 N ARG A 613 -11.264 9.770 9.045 1.00 0.00 N ATOM 1245 CA ARG A 613 -11.670 11.160 9.211 1.00 0.00 C ATOM 1246 C ARG A 613 -11.338 11.659 10.615 1.00 0.00 C ATOM 1247 O ARG A 613 -12.086 11.420 11.562 1.00 0.00 O ATOM 1248 CB ARG A 613 -13.169 11.311 8.946 1.00 0.00 C ATOM 1249 CG ARG A 613 -13.580 10.918 7.537 1.00 0.00 C ATOM 1250 CD ARG A 613 -14.819 11.676 7.086 1.00 0.00 C ATOM 1251 NE ARG A 613 -15.385 11.121 5.860 1.00 0.00 N ATOM 1252 CZ ARG A 613 -14.968 11.452 4.643 1.00 0.00 C ATOM 1253 NH1 ARG A 613 -13.986 12.330 4.491 1.00 0.00 N ATOM 1254 NH2 ARG A 613 -15.533 10.903 3.575 1.00 0.00 N ATOM 0 H ARG A 613 -12.028 9.097 9.110 1.00 0.00 H new ATOM 0 HA ARG A 613 -11.118 11.762 8.489 1.00 0.00 H new ATOM 0 HB2 ARG A 613 -13.719 10.698 9.660 1.00 0.00 H new ATOM 0 HB3 ARG A 613 -13.459 12.347 9.125 1.00 0.00 H new ATOM 0 HG2 ARG A 613 -12.759 11.118 6.848 1.00 0.00 H new ATOM 0 HG3 ARG A 613 -13.774 9.846 7.499 1.00 0.00 H new ATOM 0 HD2 ARG A 613 -15.569 11.648 7.877 1.00 0.00 H new ATOM 0 HD3 ARG A 613 -14.564 12.724 6.926 1.00 0.00 H new ATOM 0 HE ARG A 613 -16.142 10.442 5.942 1.00 0.00 H new ATOM 0 HH11 ARG A 613 -13.549 12.753 5.310 1.00 0.00 H new ATOM 0 HH12 ARG A 613 -13.668 12.582 3.555 1.00 0.00 H new ATOM 0 HH21 ARG A 613 -16.288 10.226 3.688 1.00 0.00 H new ATOM 0 HH22 ARG A 613 -15.212 11.158 2.641 1.00 0.00 H new ATOM 1268 N ASN A 614 -10.211 12.352 10.740 1.00 0.00 N ATOM 1269 CA ASN A 614 -9.779 12.883 12.028 1.00 0.00 C ATOM 1270 C ASN A 614 -10.628 14.085 12.432 1.00 0.00 C ATOM 1271 O ASN A 614 -10.481 15.175 11.881 1.00 0.00 O ATOM 1272 CB ASN A 614 -8.304 13.283 11.969 1.00 0.00 C ATOM 1273 CG ASN A 614 -7.833 13.946 13.249 1.00 0.00 C ATOM 1274 OD1 ASN A 614 -8.506 14.822 13.792 1.00 0.00 O ATOM 1275 ND2 ASN A 614 -6.671 13.529 13.738 1.00 0.00 N ATOM 0 H ASN A 614 -9.580 12.559 9.965 1.00 0.00 H new ATOM 0 HA ASN A 614 -9.907 12.102 12.777 1.00 0.00 H new ATOM 0 HB2 ASN A 614 -7.698 12.398 11.777 1.00 0.00 H new ATOM 0 HB3 ASN A 614 -8.148 13.964 11.132 1.00 0.00 H new ATOM 0 HD21 ASN A 614 -6.303 13.938 14.597 1.00 0.00 H new ATOM 0 HD22 ASN A 614 -6.146 12.800 13.255 1.00 0.00 H new ATOM 1282 N ALA A 615 -11.516 13.877 13.399 1.00 0.00 N ATOM 1283 CA ALA A 615 -12.386 14.943 13.880 1.00 0.00 C ATOM 1284 C ALA A 615 -13.105 14.529 15.159 1.00 0.00 C ATOM 1285 O ALA A 615 -13.522 13.380 15.305 1.00 0.00 O ATOM 1286 CB ALA A 615 -13.393 15.326 12.806 1.00 0.00 C ATOM 0 H ALA A 615 -11.652 12.980 13.865 1.00 0.00 H new ATOM 0 HA ALA A 615 -11.766 15.810 14.108 1.00 0.00 H new ATOM 0 HB1 ALA A 615 -14.037 16.123 13.178 1.00 0.00 H new ATOM 0 HB2 ALA A 615 -12.864 15.672 11.918 1.00 0.00 H new ATOM 0 HB3 ALA A 615 -14.001 14.458 12.551 1.00 0.00 H new ATOM 1292 N SER A 616 -13.247 15.473 16.084 1.00 0.00 N ATOM 1293 CA SER A 616 -13.912 15.205 17.354 1.00 0.00 C ATOM 1294 C SER A 616 -14.875 16.334 17.712 1.00 0.00 C ATOM 1295 O SER A 616 -14.476 17.492 17.826 1.00 0.00 O ATOM 1296 CB SER A 616 -12.879 15.028 18.468 1.00 0.00 C ATOM 1297 OG SER A 616 -12.393 13.697 18.507 1.00 0.00 O ATOM 0 H SER A 616 -12.911 16.430 15.978 1.00 0.00 H new ATOM 0 HA SER A 616 -14.483 14.283 17.249 1.00 0.00 H new ATOM 0 HB2 SER A 616 -12.049 15.717 18.311 1.00 0.00 H new ATOM 0 HB3 SER A 616 -13.328 15.283 19.428 1.00 0.00 H new ATOM 0 HG SER A 616 -11.733 13.611 19.226 1.00 0.00 H new ATOM 1303 N GLY A 617 -16.146 15.986 17.888 1.00 0.00 N ATOM 1304 CA GLY A 617 -17.146 16.979 18.231 1.00 0.00 C ATOM 1305 C GLY A 617 -16.770 17.780 19.463 1.00 0.00 C ATOM 1306 O GLY A 617 -15.660 17.672 19.984 1.00 0.00 O ATOM 0 H GLY A 617 -16.501 15.034 17.799 1.00 0.00 H new ATOM 0 HA2 GLY A 617 -17.284 17.657 17.389 1.00 0.00 H new ATOM 0 HA3 GLY A 617 -18.102 16.484 18.401 1.00 0.00 H new ATOM 1310 N PRO A 618 -17.710 18.606 19.946 1.00 0.00 N ATOM 1311 CA PRO A 618 -17.494 19.444 21.129 1.00 0.00 C ATOM 1312 C PRO A 618 -17.414 18.626 22.413 1.00 0.00 C ATOM 1313 O PRO A 618 -18.437 18.256 22.989 1.00 0.00 O ATOM 1314 CB PRO A 618 -18.727 20.352 21.149 1.00 0.00 C ATOM 1315 CG PRO A 618 -19.777 19.581 20.427 1.00 0.00 C ATOM 1316 CD PRO A 618 -19.056 18.784 19.375 1.00 0.00 C ATOM 0 HA PRO A 618 -16.549 19.985 21.078 1.00 0.00 H new ATOM 0 HB2 PRO A 618 -19.034 20.580 22.170 1.00 0.00 H new ATOM 0 HB3 PRO A 618 -18.526 21.304 20.657 1.00 0.00 H new ATOM 0 HG2 PRO A 618 -20.319 18.926 21.109 1.00 0.00 H new ATOM 0 HG3 PRO A 618 -20.511 20.249 19.976 1.00 0.00 H new ATOM 0 HD2 PRO A 618 -19.544 17.827 19.191 1.00 0.00 H new ATOM 0 HD3 PRO A 618 -19.022 19.313 18.423 1.00 0.00 H new ATOM 1324 N SER A 619 -16.192 18.347 22.856 1.00 0.00 N ATOM 1325 CA SER A 619 -15.979 17.569 24.071 1.00 0.00 C ATOM 1326 C SER A 619 -15.762 18.485 25.271 1.00 0.00 C ATOM 1327 O SER A 619 -14.949 19.408 25.224 1.00 0.00 O ATOM 1328 CB SER A 619 -14.776 16.639 23.901 1.00 0.00 C ATOM 1329 OG SER A 619 -13.562 17.370 23.900 1.00 0.00 O ATOM 0 H SER A 619 -15.335 18.648 22.392 1.00 0.00 H new ATOM 0 HA SER A 619 -16.871 16.969 24.250 1.00 0.00 H new ATOM 0 HB2 SER A 619 -14.762 15.906 24.708 1.00 0.00 H new ATOM 0 HB3 SER A 619 -14.871 16.084 22.968 1.00 0.00 H new ATOM 0 HG SER A 619 -13.709 18.249 24.307 1.00 0.00 H new ATOM 1335 N SER A 620 -16.497 18.223 26.348 1.00 0.00 N ATOM 1336 CA SER A 620 -16.389 19.025 27.561 1.00 0.00 C ATOM 1337 C SER A 620 -15.063 18.766 28.268 1.00 0.00 C ATOM 1338 O SER A 620 -14.343 19.698 28.622 1.00 0.00 O ATOM 1339 CB SER A 620 -17.553 18.718 28.506 1.00 0.00 C ATOM 1340 OG SER A 620 -18.753 19.315 28.048 1.00 0.00 O ATOM 0 H SER A 620 -17.173 17.462 26.405 1.00 0.00 H new ATOM 0 HA SER A 620 -16.429 20.076 27.276 1.00 0.00 H new ATOM 0 HB2 SER A 620 -17.687 17.639 28.584 1.00 0.00 H new ATOM 0 HB3 SER A 620 -17.320 19.084 29.506 1.00 0.00 H new ATOM 0 HG SER A 620 -19.482 19.102 28.668 1.00 0.00 H new ATOM 1346 N GLY A 621 -14.746 17.490 28.469 1.00 0.00 N ATOM 1347 CA GLY A 621 -13.507 17.129 29.133 1.00 0.00 C ATOM 1348 C GLY A 621 -13.017 15.751 28.736 1.00 0.00 C ATOM 1349 O GLY A 621 -13.383 15.234 27.681 1.00 0.00 O ATOM 0 H GLY A 621 -15.325 16.700 28.184 1.00 0.00 H new ATOM 0 HA2 GLY A 621 -12.741 17.867 28.893 1.00 0.00 H new ATOM 0 HA3 GLY A 621 -13.654 17.162 30.213 1.00 0.00 H new TER 1353 GLY A 621