USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 557 hydrogens (30 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 NoAdj-H: A 39 HIS HE2 : A 39 HIS NE2 : A 201 HEMFE :(H bumps) USER MOD NoAdj-H: A 63 HIS HE2 : A 63 HIS NE2 : A 201 HEMFE :(H bumps) USER MOD Set 1.1: A 45 HIS : no HE2:sc= 1.25 K(o=-1.7,f=-7.4!) USER MOD Set 1.2: A 49 GLN : amide:sc= 0.997 K(o=-1.7,f=-6!) USER MOD Set 1.3: A 57 ASN : amide:sc= -0.391 K(o=-1.7,f=-3.8) USER MOD Set 1.4: A 201 HEM CMD :methyl -30:sc= -3.53! (180deg=-4.65!) USER MOD Set 2.1: A 16 ASN : amide:sc= -0.339 K(o=-1.7,f=-2.8) USER MOD Set 2.2: A 17 ASN : amide:sc= -1.35 K(o=-1.7,f=-2.8!) USER MOD Set 3.1: A 15 HIS : no HD1:sc= 0.381 K(o=1.7,f=-7.2!) USER MOD Set 3.2: A 20 SER OG : rot 163:sc= 1.33 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0.275 X(o=0.27,f=-0.17) USER MOD Single : A 14 LYS NZ :NH3+ 164:sc= 0.365 (180deg=-0.774!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot -130:sc= -0.193 USER MOD Single : A 26 HIS : no HD1:sc= -0.347 K(o=-0.35,f=-1.5) USER MOD Single : A 27 TYR OH : rot -12:sc= 1.3 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 120:sc= -0.206 USER MOD Single : A 33 THR OG1 : rot 102:sc= 1.49 USER MOD Single : A 34 LYS NZ :NH3+ 179:sc= 1.4 (180deg=1.36) USER MOD Single : A 55 THR OG1 : rot 40:sc= 1.21 USER MOD Single : A 64 SER OG : rot 108:sc= 1.21 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 67:sc= 1.25 USER MOD Single : A 72 LYS NZ :NH3+ 164:sc= 0.82 (180deg=-0.87!) USER MOD Single : A 73 THR OG1 : rot -38:sc= 0.738 USER MOD Single : A 80 HIS : no HE2:sc= -2.13 K(o=-2.1,f=-9.1!) USER MOD Single : A 201 HEM CMA :methyl -30:sc= -0.103 (180deg=-0.464) USER MOD Single : A 201 HEM CMB :methyl 150:sc= -1.8 (180deg=-1.8) USER MOD Single : A 201 HEM CMC :methyl -30:sc= -0.0309 (180deg=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 3 -0.942 1.093 -18.886 1.00 0.00 N ATOM 2 CA ALA A 3 -0.325 -0.167 -18.410 1.00 0.00 C ATOM 3 C ALA A 3 0.408 0.067 -17.083 1.00 0.00 C ATOM 4 O ALA A 3 0.577 1.222 -16.701 1.00 0.00 O ATOM 5 CB ALA A 3 0.623 -0.731 -19.473 1.00 0.00 C ATOM 0 HA ALA A 3 -1.112 -0.901 -18.236 1.00 0.00 H new ATOM 0 HB1 ALA A 3 1.069 -1.657 -19.109 1.00 0.00 H new ATOM 0 HB2 ALA A 3 0.066 -0.932 -20.388 1.00 0.00 H new ATOM 0 HB3 ALA A 3 1.410 -0.006 -19.680 1.00 0.00 H new ATOM 13 N VAL A 4 0.823 -0.999 -16.396 1.00 0.00 N ATOM 14 CA VAL A 4 1.538 -0.941 -15.120 1.00 0.00 C ATOM 15 C VAL A 4 2.280 -2.264 -14.908 1.00 0.00 C ATOM 16 O VAL A 4 1.969 -3.255 -15.565 1.00 0.00 O ATOM 17 CB VAL A 4 0.543 -0.637 -13.981 1.00 0.00 C ATOM 18 CG1 VAL A 4 -0.488 -1.753 -13.802 1.00 0.00 C ATOM 19 CG2 VAL A 4 1.212 -0.339 -12.637 1.00 0.00 C ATOM 0 H VAL A 4 0.666 -1.953 -16.721 1.00 0.00 H new ATOM 0 HA VAL A 4 2.275 -0.138 -15.126 1.00 0.00 H new ATOM 0 HB VAL A 4 0.035 0.273 -14.300 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -1.167 -1.494 -12.989 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -1.056 -1.875 -14.724 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.023 -2.686 -13.565 1.00 0.00 H new ATOM 0 HG21 VAL A 4 0.447 -0.135 -11.887 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.804 -1.200 -12.327 1.00 0.00 H new ATOM 0 HG23 VAL A 4 1.861 0.531 -12.739 1.00 0.00 H new ATOM 29 N LYS A 5 3.256 -2.286 -13.998 1.00 0.00 N ATOM 30 CA LYS A 5 4.001 -3.494 -13.651 1.00 0.00 C ATOM 31 C LYS A 5 3.147 -4.582 -13.011 1.00 0.00 C ATOM 32 O LYS A 5 3.381 -5.754 -13.295 1.00 0.00 O ATOM 33 CB LYS A 5 5.213 -3.100 -12.790 1.00 0.00 C ATOM 34 CG LYS A 5 5.892 -4.324 -12.162 1.00 0.00 C ATOM 35 CD LYS A 5 7.337 -4.038 -11.733 1.00 0.00 C ATOM 36 CE LYS A 5 8.305 -4.106 -12.922 1.00 0.00 C ATOM 37 NZ LYS A 5 9.703 -3.900 -12.487 1.00 0.00 N ATOM 0 H LYS A 5 3.552 -1.460 -13.479 1.00 0.00 H new ATOM 0 HA LYS A 5 4.352 -3.953 -14.575 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.934 -2.560 -13.404 1.00 0.00 H new ATOM 0 HB3 LYS A 5 4.892 -2.419 -12.002 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.317 -4.650 -11.295 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.885 -5.147 -12.877 1.00 0.00 H new ATOM 0 HD2 LYS A 5 7.392 -3.051 -11.275 1.00 0.00 H new ATOM 0 HD3 LYS A 5 7.641 -4.759 -10.974 1.00 0.00 H new ATOM 0 HE2 LYS A 5 8.214 -5.075 -13.414 1.00 0.00 H new ATOM 0 HE3 LYS A 5 8.035 -3.348 -13.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 10.334 -3.951 -13.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 9.793 -2.966 -12.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 9.966 -4.638 -11.803 1.00 0.00 H new ATOM 47 N TYR A 6 2.199 -4.191 -12.156 1.00 0.00 N ATOM 48 CA TYR A 6 1.440 -5.100 -11.297 1.00 0.00 C ATOM 49 C TYR A 6 2.316 -5.824 -10.271 1.00 0.00 C ATOM 50 O TYR A 6 3.496 -6.084 -10.490 1.00 0.00 O ATOM 51 CB TYR A 6 0.663 -6.137 -12.110 1.00 0.00 C ATOM 52 CG TYR A 6 -0.238 -5.576 -13.204 1.00 0.00 C ATOM 53 CD1 TYR A 6 -1.454 -4.949 -12.882 1.00 0.00 C ATOM 54 CD2 TYR A 6 0.143 -5.686 -14.555 1.00 0.00 C ATOM 55 CE1 TYR A 6 -2.298 -4.462 -13.895 1.00 0.00 C ATOM 56 CE2 TYR A 6 -0.683 -5.165 -15.567 1.00 0.00 C ATOM 57 CZ TYR A 6 -1.897 -4.550 -15.236 1.00 0.00 C ATOM 58 OH TYR A 6 -2.656 -3.974 -16.207 1.00 0.00 O ATOM 0 H TYR A 6 1.933 -3.213 -12.040 1.00 0.00 H new ATOM 0 HA TYR A 6 0.739 -4.463 -10.758 1.00 0.00 H new ATOM 0 HB2 TYR A 6 1.376 -6.822 -12.568 1.00 0.00 H new ATOM 0 HB3 TYR A 6 0.051 -6.724 -11.426 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -1.742 -4.840 -11.847 1.00 0.00 H new ATOM 0 HD2 TYR A 6 1.072 -6.172 -14.815 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -3.251 -4.022 -13.642 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -0.381 -5.239 -16.601 1.00 0.00 H new ATOM 0 HH TYR A 6 -2.239 -4.125 -17.081 1.00 0.00 H new ATOM 67 N TYR A 7 1.709 -6.169 -9.140 1.00 0.00 N ATOM 68 CA TYR A 7 2.308 -7.047 -8.154 1.00 0.00 C ATOM 69 C TYR A 7 1.227 -7.996 -7.640 1.00 0.00 C ATOM 70 O TYR A 7 0.168 -7.544 -7.216 1.00 0.00 O ATOM 71 CB TYR A 7 2.958 -6.218 -7.045 1.00 0.00 C ATOM 72 CG TYR A 7 3.985 -5.220 -7.544 1.00 0.00 C ATOM 73 CD1 TYR A 7 5.320 -5.624 -7.719 1.00 0.00 C ATOM 74 CD2 TYR A 7 3.586 -3.935 -7.960 1.00 0.00 C ATOM 75 CE1 TYR A 7 6.288 -4.687 -8.118 1.00 0.00 C ATOM 76 CE2 TYR A 7 4.533 -3.056 -8.514 1.00 0.00 C ATOM 77 CZ TYR A 7 5.893 -3.394 -8.489 1.00 0.00 C ATOM 78 OH TYR A 7 6.832 -2.476 -8.838 1.00 0.00 O ATOM 0 H TYR A 7 0.778 -5.841 -8.884 1.00 0.00 H new ATOM 0 HA TYR A 7 3.105 -7.649 -8.591 1.00 0.00 H new ATOM 0 HB2 TYR A 7 2.180 -5.682 -6.502 1.00 0.00 H new ATOM 0 HB3 TYR A 7 3.436 -6.892 -6.334 1.00 0.00 H new ATOM 0 HD1 TYR A 7 5.601 -6.653 -7.547 1.00 0.00 H new ATOM 0 HD2 TYR A 7 2.557 -3.626 -7.854 1.00 0.00 H new ATOM 0 HE1 TYR A 7 7.332 -4.962 -8.139 1.00 0.00 H new ATOM 0 HE2 TYR A 7 4.214 -2.124 -8.957 1.00 0.00 H new ATOM 0 HH TYR A 7 6.393 -1.631 -9.069 1.00 0.00 H new ATOM 87 N THR A 8 1.463 -9.304 -7.719 1.00 0.00 N ATOM 88 CA THR A 8 0.501 -10.299 -7.254 1.00 0.00 C ATOM 89 C THR A 8 0.423 -10.220 -5.743 1.00 0.00 C ATOM 90 O THR A 8 1.428 -9.995 -5.073 1.00 0.00 O ATOM 91 CB THR A 8 0.934 -11.703 -7.687 1.00 0.00 C ATOM 92 OG1 THR A 8 2.255 -11.936 -7.244 1.00 0.00 O ATOM 93 CG2 THR A 8 0.891 -11.831 -9.209 1.00 0.00 C ATOM 0 H THR A 8 2.320 -9.701 -8.104 1.00 0.00 H new ATOM 0 HA THR A 8 -0.478 -10.098 -7.690 1.00 0.00 H new ATOM 0 HB THR A 8 0.252 -12.433 -7.250 1.00 0.00 H new ATOM 0 HG1 THR A 8 2.538 -12.834 -7.516 1.00 0.00 H new ATOM 0 HG21 THR A 8 1.202 -12.835 -9.499 1.00 0.00 H new ATOM 0 HG22 THR A 8 -0.125 -11.650 -9.561 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.565 -11.100 -9.655 1.00 0.00 H new ATOM 101 N LEU A 9 -0.770 -10.407 -5.199 1.00 0.00 N ATOM 102 CA LEU A 9 -1.026 -10.460 -3.771 1.00 0.00 C ATOM 103 C LEU A 9 -0.009 -11.345 -3.039 1.00 0.00 C ATOM 104 O LEU A 9 0.433 -10.998 -1.957 1.00 0.00 O ATOM 105 CB LEU A 9 -2.406 -11.055 -3.604 1.00 0.00 C ATOM 106 CG LEU A 9 -3.214 -10.581 -2.393 1.00 0.00 C ATOM 107 CD1 LEU A 9 -4.562 -11.310 -2.373 1.00 0.00 C ATOM 108 CD2 LEU A 9 -2.509 -10.774 -1.053 1.00 0.00 C ATOM 0 H LEU A 9 -1.613 -10.530 -5.760 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.947 -9.459 -3.347 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.982 -10.838 -4.504 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -2.305 -12.139 -3.543 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.344 -9.505 -2.511 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.143 -10.977 -1.513 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -5.110 -11.087 -3.289 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.393 -12.385 -2.303 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.150 -10.412 -0.249 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.299 -11.833 -0.901 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.573 -10.215 -1.050 1.00 0.00 H new ATOM 119 N GLU A 10 0.358 -12.490 -3.624 1.00 0.00 N ATOM 120 CA GLU A 10 1.469 -13.312 -3.142 1.00 0.00 C ATOM 121 C GLU A 10 2.698 -12.435 -2.839 1.00 0.00 C ATOM 122 O GLU A 10 3.263 -12.492 -1.748 1.00 0.00 O ATOM 123 CB GLU A 10 1.791 -14.437 -4.154 1.00 0.00 C ATOM 124 CG GLU A 10 3.295 -14.763 -4.085 1.00 0.00 C ATOM 125 CD GLU A 10 3.792 -16.068 -4.678 1.00 0.00 C ATOM 126 OE1 GLU A 10 2.969 -16.841 -5.207 1.00 0.00 O ATOM 127 OE2 GLU A 10 5.029 -16.245 -4.554 1.00 0.00 O ATOM 0 H GLU A 10 -0.109 -12.872 -4.446 1.00 0.00 H new ATOM 0 HA GLU A 10 1.176 -13.792 -2.208 1.00 0.00 H new ATOM 0 HB2 GLU A 10 1.203 -15.326 -3.927 1.00 0.00 H new ATOM 0 HB3 GLU A 10 1.520 -14.124 -5.162 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.831 -13.952 -4.579 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.588 -14.746 -3.035 1.00 0.00 H new ATOM 132 N GLU A 11 3.103 -11.612 -3.808 1.00 0.00 N ATOM 133 CA GLU A 11 4.177 -10.656 -3.640 1.00 0.00 C ATOM 134 C GLU A 11 3.802 -9.646 -2.577 1.00 0.00 C ATOM 135 O GLU A 11 4.497 -9.545 -1.577 1.00 0.00 O ATOM 136 CB GLU A 11 4.594 -10.022 -4.984 1.00 0.00 C ATOM 137 CG GLU A 11 6.095 -10.255 -5.268 1.00 0.00 C ATOM 138 CD GLU A 11 6.500 -11.725 -5.201 1.00 0.00 C ATOM 139 OE1 GLU A 11 5.655 -12.582 -5.529 1.00 0.00 O ATOM 140 OE2 GLU A 11 7.586 -12.046 -4.670 1.00 0.00 O ATOM 0 H GLU A 11 2.684 -11.597 -4.738 1.00 0.00 H new ATOM 0 HA GLU A 11 5.069 -11.174 -3.287 1.00 0.00 H new ATOM 0 HB2 GLU A 11 3.998 -10.448 -5.791 1.00 0.00 H new ATOM 0 HB3 GLU A 11 4.386 -8.952 -4.965 1.00 0.00 H new ATOM 0 HG2 GLU A 11 6.336 -9.863 -6.256 1.00 0.00 H new ATOM 0 HG3 GLU A 11 6.686 -9.689 -4.548 1.00 0.00 H new ATOM 145 N ILE A 12 2.670 -8.960 -2.722 1.00 0.00 N ATOM 146 CA ILE A 12 2.223 -7.991 -1.723 1.00 0.00 C ATOM 147 C ILE A 12 2.321 -8.536 -0.286 1.00 0.00 C ATOM 148 O ILE A 12 2.838 -7.857 0.603 1.00 0.00 O ATOM 149 CB ILE A 12 0.820 -7.448 -2.050 1.00 0.00 C ATOM 150 CG1 ILE A 12 0.592 -7.116 -3.535 1.00 0.00 C ATOM 151 CG2 ILE A 12 0.577 -6.149 -1.285 1.00 0.00 C ATOM 152 CD1 ILE A 12 -0.848 -6.685 -3.801 1.00 0.00 C ATOM 0 H ILE A 12 2.045 -9.057 -3.522 1.00 0.00 H new ATOM 0 HA ILE A 12 2.911 -7.147 -1.770 1.00 0.00 H new ATOM 0 HB ILE A 12 0.140 -8.251 -1.767 1.00 0.00 H new ATOM 0 HG12 ILE A 12 1.272 -6.320 -3.839 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.829 -7.988 -4.144 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.417 -5.769 -1.520 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.649 -6.338 -0.214 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.325 -5.411 -1.574 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.970 -6.459 -4.860 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.527 -7.491 -3.521 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.077 -5.797 -3.212 1.00 0.00 H new ATOM 163 N GLN A 13 1.933 -9.794 -0.069 1.00 0.00 N ATOM 164 CA GLN A 13 2.008 -10.412 1.255 1.00 0.00 C ATOM 165 C GLN A 13 3.415 -10.483 1.844 1.00 0.00 C ATOM 166 O GLN A 13 3.578 -10.546 3.062 1.00 0.00 O ATOM 167 CB GLN A 13 1.441 -11.829 1.200 1.00 0.00 C ATOM 168 CG GLN A 13 -0.082 -11.824 1.377 1.00 0.00 C ATOM 169 CD GLN A 13 -0.555 -11.330 2.742 1.00 0.00 C ATOM 170 OE1 GLN A 13 -0.650 -12.100 3.688 1.00 0.00 O ATOM 171 NE2 GLN A 13 -0.885 -10.050 2.875 1.00 0.00 N ATOM 0 H GLN A 13 1.563 -10.406 -0.796 1.00 0.00 H new ATOM 0 HA GLN A 13 1.422 -9.764 1.907 1.00 0.00 H new ATOM 0 HB2 GLN A 13 1.697 -12.289 0.246 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.898 -12.437 1.980 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -0.524 -11.196 0.603 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -0.458 -12.835 1.220 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -0.802 -9.417 2.080 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -1.221 -9.701 3.772 1.00 0.00 H new ATOM 178 N LYS A 14 4.429 -10.512 0.987 1.00 0.00 N ATOM 179 CA LYS A 14 5.812 -10.608 1.402 1.00 0.00 C ATOM 180 C LYS A 14 6.344 -9.246 1.907 1.00 0.00 C ATOM 181 O LYS A 14 7.408 -9.193 2.524 1.00 0.00 O ATOM 182 CB LYS A 14 6.632 -11.111 0.203 1.00 0.00 C ATOM 183 CG LYS A 14 6.313 -12.556 -0.213 1.00 0.00 C ATOM 184 CD LYS A 14 6.935 -12.864 -1.589 1.00 0.00 C ATOM 185 CE LYS A 14 6.403 -14.183 -2.178 1.00 0.00 C ATOM 186 NZ LYS A 14 6.412 -14.195 -3.662 1.00 0.00 N ATOM 0 H LYS A 14 4.306 -10.469 -0.025 1.00 0.00 H new ATOM 0 HA LYS A 14 5.900 -11.305 2.235 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.455 -10.452 -0.647 1.00 0.00 H new ATOM 0 HB3 LYS A 14 7.692 -11.040 0.446 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.700 -13.251 0.533 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.233 -12.701 -0.253 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.718 -12.046 -2.276 1.00 0.00 H new ATOM 0 HD3 LYS A 14 8.019 -12.921 -1.493 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.008 -15.011 -1.809 1.00 0.00 H new ATOM 0 HE3 LYS A 14 5.386 -14.350 -1.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.309 -15.172 -4.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 5.623 -13.619 -4.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.311 -13.802 -4.007 1.00 0.00 H new ATOM 196 N HIS A 15 5.632 -8.142 1.629 1.00 0.00 N ATOM 197 CA HIS A 15 6.085 -6.775 1.887 1.00 0.00 C ATOM 198 C HIS A 15 5.256 -6.079 2.976 1.00 0.00 C ATOM 199 O HIS A 15 4.346 -5.300 2.702 1.00 0.00 O ATOM 200 CB HIS A 15 6.039 -5.985 0.582 1.00 0.00 C ATOM 201 CG HIS A 15 6.872 -6.565 -0.533 1.00 0.00 C ATOM 202 ND1 HIS A 15 8.226 -6.427 -0.720 1.00 0.00 N ATOM 203 CD2 HIS A 15 6.391 -7.263 -1.601 1.00 0.00 C ATOM 204 CE1 HIS A 15 8.551 -7.047 -1.865 1.00 0.00 C ATOM 205 NE2 HIS A 15 7.462 -7.577 -2.441 1.00 0.00 N ATOM 0 H HIS A 15 4.704 -8.182 1.209 1.00 0.00 H new ATOM 0 HA HIS A 15 7.108 -6.818 2.262 1.00 0.00 H new ATOM 0 HB2 HIS A 15 5.003 -5.920 0.248 1.00 0.00 H new ATOM 0 HB3 HIS A 15 6.375 -4.967 0.777 1.00 0.00 H new ATOM 0 HD2 HIS A 15 5.358 -7.528 -1.769 1.00 0.00 H new ATOM 0 HE1 HIS A 15 9.551 -7.110 -2.267 1.00 0.00 H new ATOM 0 HE2 HIS A 15 7.424 -8.102 -3.314 1.00 0.00 H new ATOM 212 N ASN A 16 5.610 -6.338 4.233 1.00 0.00 N ATOM 213 CA ASN A 16 4.914 -5.815 5.411 1.00 0.00 C ATOM 214 C ASN A 16 5.831 -5.723 6.642 1.00 0.00 C ATOM 215 O ASN A 16 5.410 -6.006 7.764 1.00 0.00 O ATOM 216 CB ASN A 16 3.651 -6.657 5.662 1.00 0.00 C ATOM 217 CG ASN A 16 3.867 -8.159 5.484 1.00 0.00 C ATOM 218 OD1 ASN A 16 4.963 -8.687 5.648 1.00 0.00 O ATOM 219 ND2 ASN A 16 2.825 -8.865 5.078 1.00 0.00 N ATOM 0 H ASN A 16 6.406 -6.930 4.468 1.00 0.00 H new ATOM 0 HA ASN A 16 4.609 -4.787 5.217 1.00 0.00 H new ATOM 0 HB2 ASN A 16 3.295 -6.468 6.675 1.00 0.00 H new ATOM 0 HB3 ASN A 16 2.865 -6.329 4.981 1.00 0.00 H new ATOM 0 HD21 ASN A 16 2.925 -9.864 4.896 1.00 0.00 H new ATOM 0 HD22 ASN A 16 1.921 -8.411 4.947 1.00 0.00 H new ATOM 225 N ASN A 17 7.106 -5.357 6.454 1.00 0.00 N ATOM 226 CA ASN A 17 8.063 -5.234 7.560 1.00 0.00 C ATOM 227 C ASN A 17 9.166 -4.225 7.203 1.00 0.00 C ATOM 228 O ASN A 17 9.084 -3.566 6.168 1.00 0.00 O ATOM 229 CB ASN A 17 8.644 -6.615 7.973 1.00 0.00 C ATOM 230 CG ASN A 17 8.134 -7.815 7.176 1.00 0.00 C ATOM 231 OD1 ASN A 17 8.816 -8.320 6.295 1.00 0.00 O ATOM 232 ND2 ASN A 17 6.931 -8.277 7.475 1.00 0.00 N ATOM 0 H ASN A 17 7.500 -5.140 5.539 1.00 0.00 H new ATOM 0 HA ASN A 17 7.531 -4.852 8.431 1.00 0.00 H new ATOM 0 HB2 ASN A 17 9.729 -6.575 7.879 1.00 0.00 H new ATOM 0 HB3 ASN A 17 8.422 -6.781 9.027 1.00 0.00 H new ATOM 0 HD21 ASN A 17 6.550 -9.074 6.966 1.00 0.00 H new ATOM 0 HD22 ASN A 17 6.385 -7.836 8.215 1.00 0.00 H new ATOM 238 N SER A 18 10.226 -4.140 8.022 1.00 0.00 N ATOM 239 CA SER A 18 11.463 -3.410 7.694 1.00 0.00 C ATOM 240 C SER A 18 11.906 -3.685 6.243 1.00 0.00 C ATOM 241 O SER A 18 12.335 -2.786 5.525 1.00 0.00 O ATOM 242 CB SER A 18 12.555 -3.793 8.701 1.00 0.00 C ATOM 243 OG SER A 18 13.757 -3.123 8.378 1.00 0.00 O ATOM 0 H SER A 18 10.250 -4.581 8.941 1.00 0.00 H new ATOM 0 HA SER A 18 11.278 -2.338 7.766 1.00 0.00 H new ATOM 0 HB2 SER A 18 12.241 -3.530 9.711 1.00 0.00 H new ATOM 0 HB3 SER A 18 12.713 -4.871 8.688 1.00 0.00 H new ATOM 0 HG SER A 18 14.452 -3.368 9.024 1.00 0.00 H new ATOM 248 N LYS A 19 11.717 -4.942 5.817 1.00 0.00 N ATOM 249 CA LYS A 19 11.774 -5.443 4.442 1.00 0.00 C ATOM 250 C LYS A 19 11.375 -4.390 3.401 1.00 0.00 C ATOM 251 O LYS A 19 12.092 -4.128 2.438 1.00 0.00 O ATOM 252 CB LYS A 19 10.733 -6.580 4.377 1.00 0.00 C ATOM 253 CG LYS A 19 10.688 -7.376 3.064 1.00 0.00 C ATOM 254 CD LYS A 19 11.996 -8.081 2.680 1.00 0.00 C ATOM 255 CE LYS A 19 12.406 -9.113 3.738 1.00 0.00 C ATOM 256 NZ LYS A 19 13.553 -9.925 3.279 1.00 0.00 N ATOM 0 H LYS A 19 11.504 -5.690 6.478 1.00 0.00 H new ATOM 0 HA LYS A 19 12.795 -5.749 4.214 1.00 0.00 H new ATOM 0 HB2 LYS A 19 10.931 -7.274 5.193 1.00 0.00 H new ATOM 0 HB3 LYS A 19 9.746 -6.153 4.554 1.00 0.00 H new ATOM 0 HG2 LYS A 19 9.899 -8.125 3.139 1.00 0.00 H new ATOM 0 HG3 LYS A 19 10.409 -6.699 2.257 1.00 0.00 H new ATOM 0 HD2 LYS A 19 11.876 -8.574 1.716 1.00 0.00 H new ATOM 0 HD3 LYS A 19 12.789 -7.342 2.563 1.00 0.00 H new ATOM 0 HE2 LYS A 19 12.667 -8.603 4.665 1.00 0.00 H new ATOM 0 HE3 LYS A 19 11.561 -9.765 3.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 13.807 -10.614 4.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 13.294 -10.430 2.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 14.365 -9.303 3.091 1.00 0.00 H new ATOM 266 N SER A 20 10.169 -3.874 3.624 1.00 0.00 N ATOM 267 CA SER A 20 9.346 -3.017 2.780 1.00 0.00 C ATOM 268 C SER A 20 7.909 -3.107 3.311 1.00 0.00 C ATOM 269 O SER A 20 7.504 -4.190 3.741 1.00 0.00 O ATOM 270 CB SER A 20 9.367 -3.490 1.325 1.00 0.00 C ATOM 271 OG SER A 20 9.028 -4.863 1.322 1.00 0.00 O ATOM 0 H SER A 20 9.692 -4.071 4.504 1.00 0.00 H new ATOM 0 HA SER A 20 9.728 -1.997 2.808 1.00 0.00 H new ATOM 0 HB2 SER A 20 8.659 -2.918 0.725 1.00 0.00 H new ATOM 0 HB3 SER A 20 10.353 -3.337 0.886 1.00 0.00 H new ATOM 0 HG SER A 20 8.759 -5.132 0.419 1.00 0.00 H new ATOM 276 N THR A 21 7.145 -2.013 3.277 1.00 0.00 N ATOM 277 CA THR A 21 5.786 -1.935 3.823 1.00 0.00 C ATOM 278 C THR A 21 4.781 -1.558 2.734 1.00 0.00 C ATOM 279 O THR A 21 4.562 -0.373 2.476 1.00 0.00 O ATOM 280 CB THR A 21 5.745 -0.926 4.985 1.00 0.00 C ATOM 281 OG1 THR A 21 6.751 -1.254 5.924 1.00 0.00 O ATOM 282 CG2 THR A 21 4.426 -1.002 5.747 1.00 0.00 C ATOM 0 H THR A 21 7.460 -1.137 2.860 1.00 0.00 H new ATOM 0 HA THR A 21 5.505 -2.917 4.204 1.00 0.00 H new ATOM 0 HB THR A 21 5.879 0.066 4.553 1.00 0.00 H new ATOM 0 HG1 THR A 21 6.362 -1.283 6.823 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.433 -0.276 6.560 1.00 0.00 H new ATOM 0 HG22 THR A 21 3.601 -0.781 5.070 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.300 -2.004 6.157 1.00 0.00 H new ATOM 290 N TRP A 22 4.178 -2.564 2.096 1.00 0.00 N ATOM 291 CA TRP A 22 3.185 -2.376 1.045 1.00 0.00 C ATOM 292 C TRP A 22 1.774 -2.296 1.551 1.00 0.00 C ATOM 293 O TRP A 22 1.480 -2.561 2.705 1.00 0.00 O ATOM 294 CB TRP A 22 3.309 -3.444 -0.060 1.00 0.00 C ATOM 295 CG TRP A 22 4.539 -3.461 -0.911 1.00 0.00 C ATOM 296 CD1 TRP A 22 5.676 -2.775 -0.690 1.00 0.00 C ATOM 297 CD2 TRP A 22 4.775 -4.224 -2.130 1.00 0.00 C ATOM 298 NE1 TRP A 22 6.589 -3.049 -1.684 1.00 0.00 N ATOM 299 CE2 TRP A 22 6.093 -3.954 -2.597 1.00 0.00 C ATOM 300 CE3 TRP A 22 4.000 -5.114 -2.900 1.00 0.00 C ATOM 301 CZ2 TRP A 22 6.601 -4.537 -3.770 1.00 0.00 C ATOM 302 CZ3 TRP A 22 4.550 -5.811 -3.979 1.00 0.00 C ATOM 303 CH2 TRP A 22 5.834 -5.501 -4.439 1.00 0.00 C ATOM 0 H TRP A 22 4.371 -3.544 2.301 1.00 0.00 H new ATOM 0 HA TRP A 22 3.411 -1.402 0.612 1.00 0.00 H new ATOM 0 HB2 TRP A 22 3.223 -4.421 0.415 1.00 0.00 H new ATOM 0 HB3 TRP A 22 2.451 -3.334 -0.723 1.00 0.00 H new ATOM 0 HD1 TRP A 22 5.847 -2.109 0.143 1.00 0.00 H new ATOM 0 HE1 TRP A 22 7.519 -2.633 -1.738 1.00 0.00 H new ATOM 0 HE3 TRP A 22 2.959 -5.260 -2.651 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 7.569 -4.247 -4.151 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 3.981 -6.593 -4.460 1.00 0.00 H new ATOM 0 HH2 TRP A 22 6.234 -6.003 -5.308 1.00 0.00 H new ATOM 313 N LEU A 23 0.896 -1.882 0.650 1.00 0.00 N ATOM 314 CA LEU A 23 -0.524 -1.877 0.888 1.00 0.00 C ATOM 315 C LEU A 23 -1.303 -1.802 -0.422 1.00 0.00 C ATOM 316 O LEU A 23 -0.687 -1.585 -1.462 1.00 0.00 O ATOM 317 CB LEU A 23 -0.926 -0.792 1.896 1.00 0.00 C ATOM 318 CG LEU A 23 -0.084 0.391 2.387 1.00 0.00 C ATOM 319 CD1 LEU A 23 -0.868 1.687 2.089 1.00 0.00 C ATOM 320 CD2 LEU A 23 0.038 0.381 3.921 1.00 0.00 C ATOM 0 H LEU A 23 1.160 -1.538 -0.273 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.794 -2.826 1.351 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.834 -0.347 1.489 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.212 -1.332 2.798 1.00 0.00 H new ATOM 0 HG LEU A 23 0.892 0.330 1.905 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.291 2.547 2.429 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.043 1.768 1.016 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.824 1.662 2.612 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.640 1.230 4.244 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.955 0.450 4.365 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.515 -0.545 4.242 1.00 0.00 H new ATOM 331 N ILE A 24 -2.632 -1.979 -0.378 1.00 0.00 N ATOM 332 CA ILE A 24 -3.509 -1.718 -1.523 1.00 0.00 C ATOM 333 C ILE A 24 -4.542 -0.643 -1.178 1.00 0.00 C ATOM 334 O ILE A 24 -5.359 -0.848 -0.277 1.00 0.00 O ATOM 335 CB ILE A 24 -4.236 -2.977 -2.031 1.00 0.00 C ATOM 336 CG1 ILE A 24 -3.284 -4.109 -2.438 1.00 0.00 C ATOM 337 CG2 ILE A 24 -5.133 -2.635 -3.228 1.00 0.00 C ATOM 338 CD1 ILE A 24 -3.897 -5.508 -2.275 1.00 0.00 C ATOM 0 H ILE A 24 -3.126 -2.307 0.452 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.858 -1.370 -2.325 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.833 -3.332 -1.191 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.988 -3.969 -3.478 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.377 -4.045 -1.837 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.638 -3.537 -3.573 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -5.875 -1.896 -2.927 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.523 -2.229 -4.035 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.171 -6.261 -2.580 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.168 -5.667 -1.231 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.788 -5.590 -2.898 1.00 0.00 H new ATOM 349 N LEU A 25 -4.544 0.466 -1.926 1.00 0.00 N ATOM 350 CA LEU A 25 -5.598 1.476 -1.853 1.00 0.00 C ATOM 351 C LEU A 25 -6.282 1.509 -3.230 1.00 0.00 C ATOM 352 O LEU A 25 -5.696 1.986 -4.201 1.00 0.00 O ATOM 353 CB LEU A 25 -5.096 2.859 -1.375 1.00 0.00 C ATOM 354 CG LEU A 25 -3.971 2.854 -0.334 1.00 0.00 C ATOM 355 CD1 LEU A 25 -3.591 4.288 0.032 1.00 0.00 C ATOM 356 CD2 LEU A 25 -4.377 2.129 0.945 1.00 0.00 C ATOM 0 H LEU A 25 -3.811 0.686 -2.600 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.323 1.205 -1.085 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.753 3.417 -2.246 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.943 3.405 -0.960 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.127 2.330 -0.782 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.791 4.275 0.772 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.251 4.813 -0.860 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.460 4.800 0.446 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.549 2.150 1.654 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.244 2.623 1.384 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.629 1.094 0.712 1.00 0.00 H new ATOM 367 N HIS A 26 -7.494 0.955 -3.344 1.00 0.00 N ATOM 368 CA HIS A 26 -8.299 0.973 -4.573 1.00 0.00 C ATOM 369 C HIS A 26 -7.641 0.169 -5.718 1.00 0.00 C ATOM 370 O HIS A 26 -7.395 0.696 -6.802 1.00 0.00 O ATOM 371 CB HIS A 26 -8.601 2.430 -4.981 1.00 0.00 C ATOM 372 CG HIS A 26 -8.911 3.359 -3.829 1.00 0.00 C ATOM 373 ND1 HIS A 26 -10.130 3.509 -3.208 1.00 0.00 N ATOM 374 CD2 HIS A 26 -8.014 4.170 -3.181 1.00 0.00 C ATOM 375 CE1 HIS A 26 -9.969 4.394 -2.208 1.00 0.00 C ATOM 376 NE2 HIS A 26 -8.696 4.820 -2.153 1.00 0.00 N ATOM 0 H HIS A 26 -7.952 0.472 -2.571 1.00 0.00 H new ATOM 0 HA HIS A 26 -9.245 0.472 -4.368 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -7.744 2.825 -5.527 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -9.446 2.432 -5.669 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -6.968 4.284 -3.423 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -10.755 4.718 -1.541 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -8.305 5.488 -1.489 1.00 0.00 H new ATOM 383 N TYR A 27 -7.279 -1.094 -5.454 1.00 0.00 N ATOM 384 CA TYR A 27 -6.460 -1.968 -6.308 1.00 0.00 C ATOM 385 C TYR A 27 -5.023 -1.497 -6.546 1.00 0.00 C ATOM 386 O TYR A 27 -4.196 -2.299 -6.973 1.00 0.00 O ATOM 387 CB TYR A 27 -7.076 -2.283 -7.681 1.00 0.00 C ATOM 388 CG TYR A 27 -8.471 -2.896 -7.726 1.00 0.00 C ATOM 389 CD1 TYR A 27 -8.861 -3.849 -6.760 1.00 0.00 C ATOM 390 CD2 TYR A 27 -9.220 -2.789 -8.915 1.00 0.00 C ATOM 391 CE1 TYR A 27 -9.900 -4.756 -7.032 1.00 0.00 C ATOM 392 CE2 TYR A 27 -10.319 -3.639 -9.142 1.00 0.00 C ATOM 393 CZ TYR A 27 -10.606 -4.672 -8.239 1.00 0.00 C ATOM 394 OH TYR A 27 -11.467 -5.660 -8.603 1.00 0.00 O ATOM 0 H TYR A 27 -7.565 -1.559 -4.592 1.00 0.00 H new ATOM 0 HA TYR A 27 -6.436 -2.873 -5.701 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -7.102 -1.356 -8.254 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -6.399 -2.960 -8.201 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -8.357 -3.881 -5.805 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -8.949 -2.051 -9.656 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -10.154 -5.518 -6.310 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -10.942 -3.495 -10.013 1.00 0.00 H new ATOM 0 HH TYR A 27 -11.338 -6.438 -8.021 1.00 0.00 H new ATOM 403 N LYS A 28 -4.701 -0.225 -6.314 1.00 0.00 N ATOM 404 CA LYS A 28 -3.357 0.268 -6.545 1.00 0.00 C ATOM 405 C LYS A 28 -2.467 -0.185 -5.391 1.00 0.00 C ATOM 406 O LYS A 28 -2.925 -0.140 -4.253 1.00 0.00 O ATOM 407 CB LYS A 28 -3.395 1.773 -6.763 1.00 0.00 C ATOM 408 CG LYS A 28 -4.131 2.090 -8.073 1.00 0.00 C ATOM 409 CD LYS A 28 -3.205 2.105 -9.297 1.00 0.00 C ATOM 410 CE LYS A 28 -3.995 2.055 -10.612 1.00 0.00 C ATOM 411 NZ LYS A 28 -4.846 3.242 -10.811 1.00 0.00 N ATOM 0 H LYS A 28 -5.356 0.476 -5.967 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.923 -0.147 -7.454 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.897 2.258 -5.926 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -2.381 2.170 -6.800 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.917 1.351 -8.229 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -4.619 3.060 -7.983 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.591 3.005 -9.276 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.526 1.254 -9.249 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.299 1.969 -11.446 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.618 1.161 -10.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.356 3.156 -11.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -5.531 3.313 -10.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -4.252 4.096 -10.829 1.00 0.00 H new ATOM 421 N VAL A 29 -1.245 -0.659 -5.667 1.00 0.00 N ATOM 422 CA VAL A 29 -0.301 -1.119 -4.650 1.00 0.00 C ATOM 423 C VAL A 29 0.685 -0.005 -4.305 1.00 0.00 C ATOM 424 O VAL A 29 1.139 0.743 -5.174 1.00 0.00 O ATOM 425 CB VAL A 29 0.455 -2.388 -5.074 1.00 0.00 C ATOM 426 CG1 VAL A 29 1.559 -2.765 -4.074 1.00 0.00 C ATOM 427 CG2 VAL A 29 -0.483 -3.581 -5.003 1.00 0.00 C ATOM 0 H VAL A 29 -0.883 -0.733 -6.618 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.884 -1.378 -3.766 1.00 0.00 H new ATOM 0 HB VAL A 29 0.854 -2.179 -6.067 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.066 -3.668 -4.415 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.279 -1.950 -4.002 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.116 -2.946 -3.094 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.051 -4.482 -5.303 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.846 -3.698 -3.982 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.328 -3.420 -5.673 1.00 0.00 H new ATOM 437 N TYR A 30 1.011 0.056 -3.019 1.00 0.00 N ATOM 438 CA TYR A 30 1.743 1.062 -2.299 1.00 0.00 C ATOM 439 C TYR A 30 3.015 0.440 -1.707 1.00 0.00 C ATOM 440 O TYR A 30 3.007 -0.758 -1.455 1.00 0.00 O ATOM 441 CB TYR A 30 0.695 1.515 -1.274 1.00 0.00 C ATOM 442 CG TYR A 30 -0.340 2.433 -1.884 1.00 0.00 C ATOM 443 CD1 TYR A 30 -1.416 1.874 -2.584 1.00 0.00 C ATOM 444 CD2 TYR A 30 -0.173 3.827 -1.862 1.00 0.00 C ATOM 445 CE1 TYR A 30 -2.317 2.700 -3.272 1.00 0.00 C ATOM 446 CE2 TYR A 30 -1.125 4.656 -2.476 1.00 0.00 C ATOM 447 CZ TYR A 30 -2.189 4.089 -3.194 1.00 0.00 C ATOM 448 OH TYR A 30 -3.131 4.873 -3.784 1.00 0.00 O ATOM 0 H TYR A 30 0.728 -0.696 -2.391 1.00 0.00 H new ATOM 0 HA TYR A 30 2.122 1.906 -2.875 1.00 0.00 H new ATOM 0 HB2 TYR A 30 0.199 0.640 -0.853 1.00 0.00 H new ATOM 0 HB3 TYR A 30 1.192 2.027 -0.450 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -1.553 0.803 -2.594 1.00 0.00 H new ATOM 0 HD2 TYR A 30 0.687 4.261 -1.373 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -3.109 2.263 -3.862 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -1.039 5.730 -2.396 1.00 0.00 H new ATOM 0 HH TYR A 30 -3.556 5.439 -3.107 1.00 0.00 H new ATOM 457 N ASP A 31 4.093 1.220 -1.539 1.00 0.00 N ATOM 458 CA ASP A 31 5.283 0.850 -0.740 1.00 0.00 C ATOM 459 C ASP A 31 5.743 2.085 0.041 1.00 0.00 C ATOM 460 O ASP A 31 6.247 3.038 -0.554 1.00 0.00 O ATOM 461 CB ASP A 31 6.449 0.308 -1.580 1.00 0.00 C ATOM 462 CG ASP A 31 7.625 -0.191 -0.724 1.00 0.00 C ATOM 463 OD1 ASP A 31 7.802 0.293 0.420 1.00 0.00 O ATOM 464 OD2 ASP A 31 8.315 -1.110 -1.215 1.00 0.00 O ATOM 0 H ASP A 31 4.169 2.145 -1.961 1.00 0.00 H new ATOM 0 HA ASP A 31 4.988 0.039 -0.074 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.090 -0.509 -2.206 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.802 1.092 -2.251 1.00 0.00 H new ATOM 468 N LEU A 32 5.552 2.077 1.364 1.00 0.00 N ATOM 469 CA LEU A 32 5.637 3.298 2.159 1.00 0.00 C ATOM 470 C LEU A 32 6.626 3.250 3.322 1.00 0.00 C ATOM 471 O LEU A 32 6.512 4.023 4.265 1.00 0.00 O ATOM 472 CB LEU A 32 4.216 3.698 2.592 1.00 0.00 C ATOM 473 CG LEU A 32 3.149 3.264 1.579 1.00 0.00 C ATOM 474 CD1 LEU A 32 1.785 3.549 2.145 1.00 0.00 C ATOM 475 CD2 LEU A 32 3.210 4.079 0.296 1.00 0.00 C ATOM 0 H LEU A 32 5.338 1.238 1.903 1.00 0.00 H new ATOM 0 HA LEU A 32 6.064 4.074 1.523 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.996 3.251 3.561 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.170 4.779 2.722 1.00 0.00 H new ATOM 0 HG LEU A 32 3.328 2.208 1.377 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.023 3.242 1.429 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.654 2.995 3.074 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.689 4.617 2.342 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.436 3.736 -0.390 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.050 5.132 0.526 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.188 3.954 -0.168 1.00 0.00 H new ATOM 486 N THR A 33 7.650 2.407 3.219 1.00 0.00 N ATOM 487 CA THR A 33 8.671 2.078 4.228 1.00 0.00 C ATOM 488 C THR A 33 9.454 3.249 4.868 1.00 0.00 C ATOM 489 O THR A 33 10.208 3.037 5.812 1.00 0.00 O ATOM 490 CB THR A 33 9.608 1.057 3.557 1.00 0.00 C ATOM 491 OG1 THR A 33 8.812 0.132 2.833 1.00 0.00 O ATOM 492 CG2 THR A 33 10.432 0.245 4.562 1.00 0.00 C ATOM 0 H THR A 33 7.806 1.888 2.355 1.00 0.00 H new ATOM 0 HA THR A 33 8.150 1.686 5.102 1.00 0.00 H new ATOM 0 HB THR A 33 10.295 1.621 2.925 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.837 0.355 1.879 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.072 -0.456 4.026 1.00 0.00 H new ATOM 0 HG22 THR A 33 11.050 0.919 5.155 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.761 -0.307 5.221 1.00 0.00 H new ATOM 500 N LYS A 34 9.245 4.484 4.411 1.00 0.00 N ATOM 501 CA LYS A 34 9.762 5.731 5.013 1.00 0.00 C ATOM 502 C LYS A 34 8.649 6.608 5.541 1.00 0.00 C ATOM 503 O LYS A 34 8.727 7.203 6.602 1.00 0.00 O ATOM 504 CB LYS A 34 10.396 6.577 3.902 1.00 0.00 C ATOM 505 CG LYS A 34 11.821 6.162 3.584 1.00 0.00 C ATOM 506 CD LYS A 34 12.849 7.202 4.071 1.00 0.00 C ATOM 507 CE LYS A 34 12.932 7.278 5.607 1.00 0.00 C ATOM 508 NZ LYS A 34 12.390 8.537 6.176 1.00 0.00 N ATOM 0 H LYS A 34 8.687 4.659 3.575 1.00 0.00 H new ATOM 0 HA LYS A 34 10.446 5.438 5.809 1.00 0.00 H new ATOM 0 HB2 LYS A 34 9.790 6.496 3.000 1.00 0.00 H new ATOM 0 HB3 LYS A 34 10.386 7.625 4.200 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.031 5.199 4.050 1.00 0.00 H new ATOM 0 HG3 LYS A 34 11.927 6.024 2.508 1.00 0.00 H new ATOM 0 HD2 LYS A 34 13.831 6.952 3.670 1.00 0.00 H new ATOM 0 HD3 LYS A 34 12.583 8.183 3.676 1.00 0.00 H new ATOM 0 HE2 LYS A 34 12.388 6.435 6.033 1.00 0.00 H new ATOM 0 HE3 LYS A 34 13.973 7.172 5.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 12.464 8.509 7.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 12.934 9.345 5.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 11.392 8.640 5.903 1.00 0.00 H new ATOM 518 N PHE A 35 7.619 6.698 4.725 1.00 0.00 N ATOM 519 CA PHE A 35 6.359 7.374 4.924 1.00 0.00 C ATOM 520 C PHE A 35 5.787 6.979 6.291 1.00 0.00 C ATOM 521 O PHE A 35 5.156 7.786 6.956 1.00 0.00 O ATOM 522 CB PHE A 35 5.566 7.010 3.672 1.00 0.00 C ATOM 523 CG PHE A 35 6.269 7.338 2.350 1.00 0.00 C ATOM 524 CD1 PHE A 35 7.330 8.269 2.281 1.00 0.00 C ATOM 525 CD2 PHE A 35 5.971 6.576 1.209 1.00 0.00 C ATOM 526 CE1 PHE A 35 8.162 8.317 1.148 1.00 0.00 C ATOM 527 CE2 PHE A 35 6.833 6.576 0.099 1.00 0.00 C ATOM 528 CZ PHE A 35 7.935 7.445 0.070 1.00 0.00 C ATOM 0 H PHE A 35 7.651 6.250 3.809 1.00 0.00 H new ATOM 0 HA PHE A 35 6.381 8.461 4.999 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.346 5.943 3.696 1.00 0.00 H new ATOM 0 HB3 PHE A 35 4.610 7.533 3.699 1.00 0.00 H new ATOM 0 HD1 PHE A 35 7.503 8.948 3.103 1.00 0.00 H new ATOM 0 HD2 PHE A 35 5.069 5.983 1.184 1.00 0.00 H new ATOM 0 HE1 PHE A 35 8.976 9.025 1.107 1.00 0.00 H new ATOM 0 HE2 PHE A 35 6.648 5.909 -0.730 1.00 0.00 H new ATOM 0 HZ PHE A 35 8.605 7.443 -0.777 1.00 0.00 H new ATOM 537 N LEU A 36 6.114 5.764 6.731 1.00 0.00 N ATOM 538 CA LEU A 36 6.008 5.252 8.095 1.00 0.00 C ATOM 539 C LEU A 36 6.365 6.316 9.153 1.00 0.00 C ATOM 540 O LEU A 36 5.594 6.582 10.070 1.00 0.00 O ATOM 541 CB LEU A 36 7.009 4.086 8.168 1.00 0.00 C ATOM 542 CG LEU A 36 6.744 2.965 7.168 1.00 0.00 C ATOM 543 CD1 LEU A 36 7.373 1.682 7.718 1.00 0.00 C ATOM 544 CD2 LEU A 36 5.258 2.665 6.918 1.00 0.00 C ATOM 0 H LEU A 36 6.488 5.060 6.094 1.00 0.00 H new ATOM 0 HA LEU A 36 4.983 4.949 8.310 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.014 4.475 8.002 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.991 3.670 9.175 1.00 0.00 H new ATOM 0 HG LEU A 36 7.169 3.297 6.221 1.00 0.00 H new ATOM 0 HD11 LEU A 36 7.198 0.863 7.021 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.446 1.828 7.844 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.924 1.441 8.681 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.167 1.855 6.194 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.784 2.370 7.854 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.767 3.557 6.528 1.00 0.00 H new ATOM 555 N GLU A 37 7.549 6.912 8.993 1.00 0.00 N ATOM 556 CA GLU A 37 8.139 7.981 9.786 1.00 0.00 C ATOM 557 C GLU A 37 7.433 9.325 9.532 1.00 0.00 C ATOM 558 O GLU A 37 7.069 10.032 10.469 1.00 0.00 O ATOM 559 CB GLU A 37 9.622 8.098 9.379 1.00 0.00 C ATOM 560 CG GLU A 37 10.434 6.793 9.512 1.00 0.00 C ATOM 561 CD GLU A 37 11.824 6.905 8.899 1.00 0.00 C ATOM 562 OE1 GLU A 37 12.319 8.048 8.766 1.00 0.00 O ATOM 563 OE2 GLU A 37 12.353 5.860 8.472 1.00 0.00 O ATOM 0 H GLU A 37 8.171 6.629 8.236 1.00 0.00 H new ATOM 0 HA GLU A 37 8.033 7.747 10.845 1.00 0.00 H new ATOM 0 HB2 GLU A 37 9.675 8.438 8.345 1.00 0.00 H new ATOM 0 HB3 GLU A 37 10.093 8.867 9.992 1.00 0.00 H new ATOM 0 HG2 GLU A 37 10.526 6.532 10.566 1.00 0.00 H new ATOM 0 HG3 GLU A 37 9.892 5.981 9.028 1.00 0.00 H new ATOM 568 N GLU A 38 7.292 9.699 8.254 1.00 0.00 N ATOM 569 CA GLU A 38 6.820 11.023 7.840 1.00 0.00 C ATOM 570 C GLU A 38 5.352 11.275 8.246 1.00 0.00 C ATOM 571 O GLU A 38 4.988 12.348 8.724 1.00 0.00 O ATOM 572 CB GLU A 38 6.979 11.205 6.315 1.00 0.00 C ATOM 573 CG GLU A 38 8.186 10.542 5.619 1.00 0.00 C ATOM 574 CD GLU A 38 9.575 10.973 6.061 1.00 0.00 C ATOM 575 OE1 GLU A 38 9.707 12.083 6.612 1.00 0.00 O ATOM 576 OE2 GLU A 38 10.496 10.166 5.792 1.00 0.00 O ATOM 0 H GLU A 38 7.506 9.082 7.470 1.00 0.00 H new ATOM 0 HA GLU A 38 7.438 11.755 8.360 1.00 0.00 H new ATOM 0 HB2 GLU A 38 6.073 10.828 5.839 1.00 0.00 H new ATOM 0 HB3 GLU A 38 7.025 12.275 6.111 1.00 0.00 H new ATOM 0 HG2 GLU A 38 8.107 9.464 5.762 1.00 0.00 H new ATOM 0 HG3 GLU A 38 8.101 10.728 4.548 1.00 0.00 H new ATOM 581 N HIS A 39 4.495 10.286 7.981 1.00 0.00 N ATOM 582 CA HIS A 39 3.046 10.305 8.181 1.00 0.00 C ATOM 583 C HIS A 39 2.657 10.289 9.675 1.00 0.00 C ATOM 584 O HIS A 39 3.392 9.747 10.500 1.00 0.00 O ATOM 585 CB HIS A 39 2.499 9.063 7.448 1.00 0.00 C ATOM 586 CG HIS A 39 1.020 8.797 7.532 1.00 0.00 C ATOM 587 ND1 HIS A 39 0.417 7.991 8.464 1.00 0.00 N ATOM 588 CD2 HIS A 39 0.050 9.214 6.664 1.00 0.00 C ATOM 589 CE1 HIS A 39 -0.897 7.963 8.200 1.00 0.00 C ATOM 590 NE2 HIS A 39 -1.173 8.696 7.111 1.00 0.00 N ATOM 0 H HIS A 39 4.815 9.397 7.598 1.00 0.00 H new ATOM 0 HA HIS A 39 2.619 11.227 7.785 1.00 0.00 H new ATOM 0 HB2 HIS A 39 2.765 9.151 6.395 1.00 0.00 H new ATOM 0 HB3 HIS A 39 3.020 8.188 7.836 1.00 0.00 H new ATOM 0 HD1 HIS A 39 0.886 7.499 9.225 1.00 0.00 H new ATOM 0 HD2 HIS A 39 0.199 9.832 5.791 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -1.631 7.426 8.783 1.00 0.00 H new ATOM 597 N PRO A 40 1.488 10.853 10.040 1.00 0.00 N ATOM 598 CA PRO A 40 0.885 10.698 11.366 1.00 0.00 C ATOM 599 C PRO A 40 0.417 9.239 11.553 1.00 0.00 C ATOM 600 O PRO A 40 1.001 8.331 10.969 1.00 0.00 O ATOM 601 CB PRO A 40 -0.249 11.735 11.394 1.00 0.00 C ATOM 602 CG PRO A 40 -0.672 11.808 9.930 1.00 0.00 C ATOM 603 CD PRO A 40 0.657 11.703 9.201 1.00 0.00 C ATOM 0 HA PRO A 40 1.568 10.877 12.197 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -1.070 11.420 12.038 1.00 0.00 H new ATOM 0 HB3 PRO A 40 0.094 12.701 11.765 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -1.348 10.996 9.661 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -1.188 12.741 9.702 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.528 11.271 8.209 1.00 0.00 H new ATOM 0 HD3 PRO A 40 1.110 12.685 9.065 1.00 0.00 H new ATOM 608 N GLY A 41 -0.605 8.938 12.363 1.00 0.00 N ATOM 609 CA GLY A 41 -1.088 7.556 12.497 1.00 0.00 C ATOM 610 C GLY A 41 -0.184 6.651 13.363 1.00 0.00 C ATOM 611 O GLY A 41 -0.678 5.899 14.198 1.00 0.00 O ATOM 0 H GLY A 41 -1.108 9.621 12.929 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.088 7.573 12.930 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.178 7.117 11.504 1.00 0.00 H new ATOM 615 N GLY A 42 1.135 6.707 13.136 1.00 0.00 N ATOM 616 CA GLY A 42 2.159 5.809 13.657 1.00 0.00 C ATOM 617 C GLY A 42 2.632 4.870 12.539 1.00 0.00 C ATOM 618 O GLY A 42 1.838 4.504 11.671 1.00 0.00 O ATOM 0 H GLY A 42 1.536 7.433 12.542 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.000 6.384 14.044 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.760 5.229 14.489 1.00 0.00 H new ATOM 622 N GLU A 43 3.893 4.416 12.570 1.00 0.00 N ATOM 623 CA GLU A 43 4.362 3.418 11.615 1.00 0.00 C ATOM 624 C GLU A 43 3.465 2.191 11.752 1.00 0.00 C ATOM 625 O GLU A 43 3.021 1.584 10.776 1.00 0.00 O ATOM 626 CB GLU A 43 5.794 2.950 11.927 1.00 0.00 C ATOM 627 CG GLU A 43 6.869 3.994 12.258 1.00 0.00 C ATOM 628 CD GLU A 43 8.188 3.321 12.635 1.00 0.00 C ATOM 629 OE1 GLU A 43 8.341 2.122 12.292 1.00 0.00 O ATOM 630 OE2 GLU A 43 9.007 3.997 13.287 1.00 0.00 O ATOM 0 H GLU A 43 4.596 4.724 13.242 1.00 0.00 H new ATOM 0 HA GLU A 43 4.339 3.863 10.620 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.737 2.260 12.769 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.146 2.378 11.069 1.00 0.00 H new ATOM 0 HG2 GLU A 43 7.023 4.648 11.400 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.529 4.623 13.081 1.00 0.00 H new ATOM 635 N GLU A 44 3.195 1.857 13.017 1.00 0.00 N ATOM 636 CA GLU A 44 2.558 0.626 13.395 1.00 0.00 C ATOM 637 C GLU A 44 1.180 0.547 12.775 1.00 0.00 C ATOM 638 O GLU A 44 0.764 -0.516 12.353 1.00 0.00 O ATOM 639 CB GLU A 44 2.488 0.483 14.917 1.00 0.00 C ATOM 640 CG GLU A 44 3.875 0.398 15.576 1.00 0.00 C ATOM 641 CD GLU A 44 4.587 -0.912 15.262 1.00 0.00 C ATOM 642 OE1 GLU A 44 5.268 -0.952 14.214 1.00 0.00 O ATOM 643 OE2 GLU A 44 4.431 -1.854 16.066 1.00 0.00 O ATOM 0 H GLU A 44 3.424 2.457 13.810 1.00 0.00 H new ATOM 0 HA GLU A 44 3.157 -0.204 13.020 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.946 1.333 15.332 1.00 0.00 H new ATOM 0 HB3 GLU A 44 1.918 -0.412 15.167 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.488 1.232 15.235 1.00 0.00 H new ATOM 0 HG3 GLU A 44 3.768 0.501 16.656 1.00 0.00 H new ATOM 648 N HIS A 45 0.493 1.680 12.666 1.00 0.00 N ATOM 649 CA HIS A 45 -0.840 1.746 12.101 1.00 0.00 C ATOM 650 C HIS A 45 -0.868 1.548 10.581 1.00 0.00 C ATOM 651 O HIS A 45 -1.830 1.015 10.034 1.00 0.00 O ATOM 652 CB HIS A 45 -1.437 3.082 12.530 1.00 0.00 C ATOM 653 CG HIS A 45 -2.884 3.242 12.132 1.00 0.00 C ATOM 654 ND1 HIS A 45 -3.850 2.259 12.166 1.00 0.00 N ATOM 655 CD2 HIS A 45 -3.472 4.387 11.666 1.00 0.00 C ATOM 656 CE1 HIS A 45 -4.996 2.810 11.732 1.00 0.00 C ATOM 657 NE2 HIS A 45 -4.819 4.107 11.419 1.00 0.00 N ATOM 0 H HIS A 45 0.854 2.584 12.972 1.00 0.00 H new ATOM 0 HA HIS A 45 -1.441 0.919 12.479 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -1.352 3.180 13.612 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -0.854 3.891 12.090 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -3.719 1.293 12.465 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -2.982 5.338 11.516 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -5.934 2.282 11.646 1.00 0.00 H new ATOM 664 N LEU A 46 0.208 1.918 9.887 1.00 0.00 N ATOM 665 CA LEU A 46 0.350 1.565 8.477 1.00 0.00 C ATOM 666 C LEU A 46 0.783 0.100 8.352 1.00 0.00 C ATOM 667 O LEU A 46 0.331 -0.626 7.472 1.00 0.00 O ATOM 668 CB LEU A 46 1.351 2.513 7.801 1.00 0.00 C ATOM 669 CG LEU A 46 0.871 3.976 7.761 1.00 0.00 C ATOM 670 CD1 LEU A 46 2.027 4.869 7.306 1.00 0.00 C ATOM 671 CD2 LEU A 46 -0.307 4.173 6.800 1.00 0.00 C ATOM 0 H LEU A 46 0.984 2.455 10.273 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.608 1.676 7.969 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.302 2.464 8.331 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.535 2.170 6.783 1.00 0.00 H new ATOM 0 HG LEU A 46 0.537 4.241 8.764 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.695 5.907 7.275 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.857 4.774 8.006 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.354 4.563 6.312 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.610 5.220 6.806 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.006 3.888 5.792 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.144 3.551 7.118 1.00 0.00 H new ATOM 682 N ARG A 47 1.645 -0.346 9.266 1.00 0.00 N ATOM 683 CA ARG A 47 2.287 -1.659 9.235 1.00 0.00 C ATOM 684 C ARG A 47 1.271 -2.765 9.538 1.00 0.00 C ATOM 685 O ARG A 47 1.237 -3.809 8.897 1.00 0.00 O ATOM 686 CB ARG A 47 3.440 -1.591 10.234 1.00 0.00 C ATOM 687 CG ARG A 47 4.423 -2.766 10.188 1.00 0.00 C ATOM 688 CD ARG A 47 5.615 -2.485 11.119 1.00 0.00 C ATOM 689 NE ARG A 47 6.543 -1.490 10.536 1.00 0.00 N ATOM 690 CZ ARG A 47 7.192 -0.487 11.152 1.00 0.00 C ATOM 691 NH1 ARG A 47 7.002 -0.141 12.411 1.00 0.00 N ATOM 692 NH2 ARG A 47 8.086 0.236 10.498 1.00 0.00 N ATOM 0 H ARG A 47 1.924 0.214 10.072 1.00 0.00 H new ATOM 0 HA ARG A 47 2.679 -1.908 8.249 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.995 -0.669 10.060 1.00 0.00 H new ATOM 0 HB3 ARG A 47 3.023 -1.528 11.239 1.00 0.00 H new ATOM 0 HG2 ARG A 47 3.921 -3.684 10.492 1.00 0.00 H new ATOM 0 HG3 ARG A 47 4.775 -2.918 9.168 1.00 0.00 H new ATOM 0 HD2 ARG A 47 5.249 -2.122 12.079 1.00 0.00 H new ATOM 0 HD3 ARG A 47 6.152 -3.414 11.313 1.00 0.00 H new ATOM 0 HE ARG A 47 6.712 -1.577 9.534 1.00 0.00 H new ATOM 0 HH11 ARG A 47 6.326 -0.647 12.982 1.00 0.00 H new ATOM 0 HH12 ARG A 47 7.532 0.633 12.813 1.00 0.00 H new ATOM 0 HH21 ARG A 47 8.287 0.034 9.519 1.00 0.00 H new ATOM 0 HH22 ARG A 47 8.574 0.995 10.973 1.00 0.00 H new ATOM 703 N GLU A 48 0.417 -2.458 10.505 1.00 0.00 N ATOM 704 CA GLU A 48 -0.819 -3.147 10.878 1.00 0.00 C ATOM 705 C GLU A 48 -1.637 -3.538 9.637 1.00 0.00 C ATOM 706 O GLU A 48 -2.008 -4.698 9.466 1.00 0.00 O ATOM 707 CB GLU A 48 -1.598 -2.159 11.762 1.00 0.00 C ATOM 708 CG GLU A 48 -3.060 -2.499 12.097 1.00 0.00 C ATOM 709 CD GLU A 48 -3.915 -1.236 12.111 1.00 0.00 C ATOM 710 OE1 GLU A 48 -3.631 -0.345 12.942 1.00 0.00 O ATOM 711 OE2 GLU A 48 -4.812 -1.158 11.248 1.00 0.00 O ATOM 0 H GLU A 48 0.583 -1.649 11.104 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.609 -4.077 11.406 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.055 -2.049 12.701 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.584 -1.186 11.270 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.453 -3.203 11.363 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.111 -2.990 13.069 1.00 0.00 H new ATOM 716 N GLN A 49 -1.912 -2.559 8.769 1.00 0.00 N ATOM 717 CA GLN A 49 -2.644 -2.784 7.525 1.00 0.00 C ATOM 718 C GLN A 49 -1.773 -3.482 6.474 1.00 0.00 C ATOM 719 O GLN A 49 -2.260 -4.273 5.670 1.00 0.00 O ATOM 720 CB GLN A 49 -3.074 -1.439 6.930 1.00 0.00 C ATOM 721 CG GLN A 49 -4.172 -0.661 7.661 1.00 0.00 C ATOM 722 CD GLN A 49 -5.497 -1.411 7.722 1.00 0.00 C ATOM 723 OE1 GLN A 49 -6.143 -1.624 6.706 1.00 0.00 O ATOM 724 NE2 GLN A 49 -5.949 -1.800 8.902 1.00 0.00 N ATOM 0 H GLN A 49 -1.632 -1.589 8.912 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.502 -3.411 7.767 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.193 -0.801 6.870 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -3.410 -1.615 5.908 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.839 -0.441 8.675 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -4.325 0.295 7.161 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -5.402 -1.617 9.743 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -6.845 -2.283 8.971 1.00 0.00 H new ATOM 731 N ALA A 50 -0.493 -3.108 6.437 1.00 0.00 N ATOM 732 CA ALA A 50 0.427 -3.436 5.362 1.00 0.00 C ATOM 733 C ALA A 50 0.492 -4.902 4.919 1.00 0.00 C ATOM 734 O ALA A 50 0.288 -5.845 5.680 1.00 0.00 O ATOM 735 CB ALA A 50 1.831 -2.957 5.725 1.00 0.00 C ATOM 0 H ALA A 50 -0.062 -2.554 7.177 1.00 0.00 H new ATOM 0 HA ALA A 50 0.015 -2.913 4.499 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.520 -3.204 4.917 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.820 -1.877 5.875 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.157 -3.447 6.642 1.00 0.00 H new ATOM 741 N GLY A 51 0.841 -5.067 3.643 1.00 0.00 N ATOM 742 CA GLY A 51 0.885 -6.357 2.952 1.00 0.00 C ATOM 743 C GLY A 51 -0.325 -6.566 2.036 1.00 0.00 C ATOM 744 O GLY A 51 -0.486 -7.631 1.437 1.00 0.00 O ATOM 0 H GLY A 51 1.108 -4.286 3.044 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.800 -6.420 2.362 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.924 -7.160 3.688 1.00 0.00 H new ATOM 748 N GLY A 52 -1.162 -5.529 1.926 1.00 0.00 N ATOM 749 CA GLY A 52 -2.269 -5.409 0.997 1.00 0.00 C ATOM 750 C GLY A 52 -3.364 -4.520 1.583 1.00 0.00 C ATOM 751 O GLY A 52 -3.103 -3.783 2.530 1.00 0.00 O ATOM 0 H GLY A 52 -1.071 -4.707 2.523 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.917 -4.989 0.055 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.674 -6.396 0.775 1.00 0.00 H new ATOM 755 N ASP A 53 -4.536 -4.540 0.945 1.00 0.00 N ATOM 756 CA ASP A 53 -5.799 -3.914 1.311 1.00 0.00 C ATOM 757 C ASP A 53 -5.767 -3.120 2.614 1.00 0.00 C ATOM 758 O ASP A 53 -5.881 -3.635 3.724 1.00 0.00 O ATOM 759 CB ASP A 53 -7.007 -4.844 1.205 1.00 0.00 C ATOM 760 CG ASP A 53 -8.302 -4.025 1.204 1.00 0.00 C ATOM 761 OD1 ASP A 53 -8.217 -2.786 1.404 1.00 0.00 O ATOM 762 OD2 ASP A 53 -9.353 -4.647 0.962 1.00 0.00 O ATOM 0 H ASP A 53 -4.628 -5.051 0.067 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.941 -3.161 0.536 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.941 -5.436 0.292 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -7.011 -5.545 2.040 1.00 0.00 H new ATOM 766 N ALA A 54 -5.631 -1.824 2.393 1.00 0.00 N ATOM 767 CA ALA A 54 -5.725 -0.783 3.384 1.00 0.00 C ATOM 768 C ALA A 54 -6.671 0.285 2.844 1.00 0.00 C ATOM 769 O ALA A 54 -6.649 1.435 3.275 1.00 0.00 O ATOM 770 CB ALA A 54 -4.289 -0.333 3.615 1.00 0.00 C ATOM 0 H ALA A 54 -5.441 -1.456 1.461 1.00 0.00 H new ATOM 0 HA ALA A 54 -6.145 -1.078 4.346 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.272 0.462 4.360 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.696 -1.176 3.970 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.869 0.037 2.680 1.00 0.00 H new ATOM 776 N THR A 55 -7.527 -0.121 1.898 1.00 0.00 N ATOM 777 CA THR A 55 -8.447 0.745 1.184 1.00 0.00 C ATOM 778 C THR A 55 -9.510 1.239 2.158 1.00 0.00 C ATOM 779 O THR A 55 -9.748 2.441 2.276 1.00 0.00 O ATOM 780 CB THR A 55 -9.042 -0.057 0.018 1.00 0.00 C ATOM 781 OG1 THR A 55 -8.047 -0.377 -0.931 1.00 0.00 O ATOM 782 CG2 THR A 55 -10.144 0.708 -0.715 1.00 0.00 C ATOM 0 H THR A 55 -7.593 -1.096 1.606 1.00 0.00 H new ATOM 0 HA THR A 55 -7.949 1.623 0.774 1.00 0.00 H new ATOM 0 HB THR A 55 -9.463 -0.959 0.462 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.219 -0.620 -0.467 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.531 0.097 -1.530 1.00 0.00 H new ATOM 0 HG22 THR A 55 -10.951 0.939 -0.020 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.737 1.635 -1.118 1.00 0.00 H new ATOM 790 N GLU A 56 -10.102 0.303 2.902 1.00 0.00 N ATOM 791 CA GLU A 56 -11.054 0.621 3.951 1.00 0.00 C ATOM 792 C GLU A 56 -10.448 1.576 4.988 1.00 0.00 C ATOM 793 O GLU A 56 -10.985 2.660 5.201 1.00 0.00 O ATOM 794 CB GLU A 56 -11.586 -0.683 4.559 1.00 0.00 C ATOM 795 CG GLU A 56 -12.716 -0.412 5.563 1.00 0.00 C ATOM 796 CD GLU A 56 -13.378 -1.699 6.040 1.00 0.00 C ATOM 797 OE1 GLU A 56 -12.817 -2.311 6.973 1.00 0.00 O ATOM 798 OE2 GLU A 56 -14.424 -2.046 5.453 1.00 0.00 O ATOM 0 H GLU A 56 -9.930 -0.696 2.789 1.00 0.00 H new ATOM 0 HA GLU A 56 -11.903 1.160 3.529 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -11.951 -1.334 3.765 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -10.774 -1.212 5.057 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.317 0.129 6.421 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.465 0.231 5.101 1.00 0.00 H new ATOM 803 N ASN A 57 -9.295 1.236 5.586 1.00 0.00 N ATOM 804 CA ASN A 57 -8.727 2.116 6.611 1.00 0.00 C ATOM 805 C ASN A 57 -8.334 3.476 6.016 1.00 0.00 C ATOM 806 O ASN A 57 -8.484 4.509 6.669 1.00 0.00 O ATOM 807 CB ASN A 57 -7.536 1.489 7.359 1.00 0.00 C ATOM 808 CG ASN A 57 -7.472 1.971 8.810 1.00 0.00 C ATOM 809 OD1 ASN A 57 -7.135 1.207 9.700 1.00 0.00 O ATOM 810 ND2 ASN A 57 -7.796 3.227 9.094 1.00 0.00 N ATOM 0 H ASN A 57 -8.758 0.392 5.386 1.00 0.00 H new ATOM 0 HA ASN A 57 -9.515 2.266 7.349 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -7.623 0.403 7.338 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -6.608 1.745 6.848 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -7.764 3.556 10.059 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -8.077 3.862 8.347 1.00 0.00 H new ATOM 816 N PHE A 58 -7.819 3.472 4.782 1.00 0.00 N ATOM 817 CA PHE A 58 -7.481 4.703 4.076 1.00 0.00 C ATOM 818 C PHE A 58 -8.686 5.627 3.870 1.00 0.00 C ATOM 819 O PHE A 58 -8.549 6.819 4.126 1.00 0.00 O ATOM 820 CB PHE A 58 -6.829 4.389 2.732 1.00 0.00 C ATOM 821 CG PHE A 58 -6.481 5.618 1.913 1.00 0.00 C ATOM 822 CD1 PHE A 58 -5.499 6.514 2.371 1.00 0.00 C ATOM 823 CD2 PHE A 58 -7.070 5.817 0.651 1.00 0.00 C ATOM 824 CE1 PHE A 58 -5.063 7.568 1.550 1.00 0.00 C ATOM 825 CE2 PHE A 58 -6.590 6.830 -0.196 1.00 0.00 C ATOM 826 CZ PHE A 58 -5.582 7.704 0.250 1.00 0.00 C ATOM 0 H PHE A 58 -7.628 2.622 4.252 1.00 0.00 H new ATOM 0 HA PHE A 58 -6.774 5.237 4.711 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -5.921 3.812 2.906 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -7.502 3.757 2.152 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -5.078 6.392 3.358 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -7.891 5.191 0.333 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -4.331 8.272 1.917 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -6.996 6.938 -1.191 1.00 0.00 H new ATOM 0 HZ PHE A 58 -5.208 8.477 -0.404 1.00 0.00 H new ATOM 835 N GLU A 59 -9.821 5.085 3.400 1.00 0.00 N ATOM 836 CA GLU A 59 -11.047 5.770 3.012 1.00 0.00 C ATOM 837 C GLU A 59 -11.943 6.100 4.225 1.00 0.00 C ATOM 838 O GLU A 59 -12.697 7.068 4.193 1.00 0.00 O ATOM 839 CB GLU A 59 -11.738 5.006 1.873 1.00 0.00 C ATOM 840 CG GLU A 59 -12.629 5.926 1.006 1.00 0.00 C ATOM 841 CD GLU A 59 -11.904 7.087 0.312 1.00 0.00 C ATOM 842 OE1 GLU A 59 -10.800 6.882 -0.236 1.00 0.00 O ATOM 843 OE2 GLU A 59 -12.450 8.210 0.320 1.00 0.00 O ATOM 0 H GLU A 59 -9.903 4.076 3.275 1.00 0.00 H new ATOM 0 HA GLU A 59 -10.801 6.752 2.608 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -10.983 4.536 1.243 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.346 4.205 2.292 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -13.116 5.317 0.244 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -13.417 6.338 1.636 1.00 0.00 H new ATOM 848 N ASP A 60 -11.820 5.337 5.320 1.00 0.00 N ATOM 849 CA ASP A 60 -12.408 5.647 6.624 1.00 0.00 C ATOM 850 C ASP A 60 -11.922 7.025 7.116 1.00 0.00 C ATOM 851 O ASP A 60 -12.704 7.965 7.258 1.00 0.00 O ATOM 852 CB ASP A 60 -12.026 4.510 7.579 1.00 0.00 C ATOM 853 CG ASP A 60 -12.458 4.803 9.006 1.00 0.00 C ATOM 854 OD1 ASP A 60 -13.649 4.572 9.299 1.00 0.00 O ATOM 855 OD2 ASP A 60 -11.583 5.271 9.764 1.00 0.00 O ATOM 0 H ASP A 60 -11.293 4.463 5.320 1.00 0.00 H new ATOM 0 HA ASP A 60 -13.494 5.714 6.567 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -12.488 3.582 7.243 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.947 4.358 7.550 1.00 0.00 H new ATOM 859 N VAL A 61 -10.606 7.160 7.315 1.00 0.00 N ATOM 860 CA VAL A 61 -9.953 8.454 7.529 1.00 0.00 C ATOM 861 C VAL A 61 -10.209 9.337 6.294 1.00 0.00 C ATOM 862 O VAL A 61 -10.480 10.534 6.379 1.00 0.00 O ATOM 863 CB VAL A 61 -8.445 8.225 7.736 1.00 0.00 C ATOM 864 CG1 VAL A 61 -7.698 9.558 7.890 1.00 0.00 C ATOM 865 CG2 VAL A 61 -8.188 7.363 8.979 1.00 0.00 C ATOM 0 H VAL A 61 -9.962 6.370 7.332 1.00 0.00 H new ATOM 0 HA VAL A 61 -10.352 8.952 8.413 1.00 0.00 H new ATOM 0 HB VAL A 61 -8.074 7.707 6.852 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.635 9.365 8.035 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -7.838 10.160 6.992 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -8.090 10.097 8.753 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -7.115 7.215 9.104 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -8.590 7.865 9.859 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -8.676 6.396 8.858 1.00 0.00 H new ATOM 875 N GLY A 62 -10.086 8.707 5.127 1.00 0.00 N ATOM 876 CA GLY A 62 -10.421 9.164 3.788 1.00 0.00 C ATOM 877 C GLY A 62 -9.536 10.255 3.215 1.00 0.00 C ATOM 878 O GLY A 62 -9.175 10.171 2.048 1.00 0.00 O ATOM 0 H GLY A 62 -9.707 7.760 5.099 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -10.389 8.307 3.115 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -11.449 9.525 3.796 1.00 0.00 H new ATOM 882 N HIS A 63 -9.115 11.227 4.016 1.00 0.00 N ATOM 883 CA HIS A 63 -8.020 12.113 3.647 1.00 0.00 C ATOM 884 CB HIS A 63 -6.796 11.279 3.248 1.00 0.00 C ATOM 885 CG HIS A 63 -6.304 10.301 4.280 1.00 0.00 C ATOM 886 ND1 HIS A 63 -6.669 8.982 4.481 1.00 0.00 N ATOM 887 CD2 HIS A 63 -5.120 10.494 4.915 1.00 0.00 C ATOM 888 CE1 HIS A 63 -5.701 8.413 5.230 1.00 0.00 C ATOM 889 NE2 HIS A 63 -4.716 9.292 5.493 1.00 0.00 N ATOM 0 H HIS A 63 -9.520 11.421 4.932 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -7.036 10.728 2.339 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.981 11.960 3.002 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -7.511 8.526 4.130 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -4.579 11.427 4.964 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -5.715 7.389 5.573 1.00 0.00 H new ATOM 896 N SER A 64 -7.557 14.274 2.683 1.00 0.00 N ATOM 897 CA SER A 64 -7.514 15.388 1.743 1.00 0.00 C ATOM 898 C SER A 64 -7.008 14.984 0.355 1.00 0.00 C ATOM 899 O SER A 64 -6.216 14.054 0.211 1.00 0.00 O ATOM 900 CB SER A 64 -6.585 16.464 2.320 1.00 0.00 C ATOM 901 OG SER A 64 -7.149 17.020 3.490 1.00 0.00 O ATOM 0 HA SER A 64 -8.532 15.755 1.614 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.611 16.030 2.548 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.420 17.247 1.580 1.00 0.00 H new ATOM 0 HG SER A 64 -6.653 16.705 4.274 1.00 0.00 H new ATOM 906 N THR A 65 -7.410 15.746 -0.669 1.00 0.00 N ATOM 907 CA THR A 65 -6.879 15.671 -2.035 1.00 0.00 C ATOM 908 C THR A 65 -5.357 15.546 -2.039 1.00 0.00 C ATOM 909 O THR A 65 -4.823 14.690 -2.736 1.00 0.00 O ATOM 910 CB THR A 65 -7.301 16.921 -2.818 1.00 0.00 C ATOM 911 OG1 THR A 65 -7.008 18.062 -2.037 1.00 0.00 O ATOM 912 CG2 THR A 65 -8.801 16.915 -3.114 1.00 0.00 C ATOM 0 H THR A 65 -8.137 16.454 -0.566 1.00 0.00 H new ATOM 0 HA THR A 65 -7.288 14.779 -2.510 1.00 0.00 H new ATOM 0 HB THR A 65 -6.759 16.933 -3.763 1.00 0.00 H new ATOM 0 HG1 THR A 65 -7.271 18.870 -2.526 1.00 0.00 H new ATOM 0 HG21 THR A 65 -9.066 17.815 -3.670 1.00 0.00 H new ATOM 0 HG22 THR A 65 -9.051 16.035 -3.707 1.00 0.00 H new ATOM 0 HG23 THR A 65 -9.357 16.891 -2.177 1.00 0.00 H new ATOM 920 N ASP A 66 -4.681 16.357 -1.217 1.00 0.00 N ATOM 921 CA ASP A 66 -3.265 16.236 -0.886 1.00 0.00 C ATOM 922 C ASP A 66 -2.800 14.769 -0.859 1.00 0.00 C ATOM 923 O ASP A 66 -1.912 14.379 -1.611 1.00 0.00 O ATOM 924 CB ASP A 66 -3.056 16.911 0.475 1.00 0.00 C ATOM 925 CG ASP A 66 -1.639 16.708 0.987 1.00 0.00 C ATOM 926 OD1 ASP A 66 -1.437 15.687 1.679 1.00 0.00 O ATOM 927 OD2 ASP A 66 -0.792 17.564 0.660 1.00 0.00 O ATOM 0 H ASP A 66 -5.127 17.145 -0.748 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.663 16.723 -1.653 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.263 17.978 0.389 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.766 16.506 1.196 1.00 0.00 H new ATOM 931 N ALA A 67 -3.456 13.938 -0.046 1.00 0.00 N ATOM 932 CA ALA A 67 -3.103 12.535 0.135 1.00 0.00 C ATOM 933 C ALA A 67 -3.364 11.707 -1.130 1.00 0.00 C ATOM 934 O ALA A 67 -2.558 10.857 -1.506 1.00 0.00 O ATOM 935 CB ALA A 67 -3.882 11.969 1.322 1.00 0.00 C ATOM 0 H ALA A 67 -4.259 14.229 0.512 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.033 12.474 0.335 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.621 10.920 1.461 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.630 12.528 2.223 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.951 12.055 1.129 1.00 0.00 H new ATOM 941 N ARG A 68 -4.490 11.948 -1.805 1.00 0.00 N ATOM 942 CA ARG A 68 -4.827 11.289 -3.069 1.00 0.00 C ATOM 943 C ARG A 68 -3.806 11.631 -4.170 1.00 0.00 C ATOM 944 O ARG A 68 -3.449 10.779 -4.980 1.00 0.00 O ATOM 945 CB ARG A 68 -6.253 11.675 -3.493 1.00 0.00 C ATOM 946 CG ARG A 68 -7.397 10.952 -2.749 1.00 0.00 C ATOM 947 CD ARG A 68 -7.444 11.275 -1.247 1.00 0.00 C ATOM 948 NE ARG A 68 -8.792 11.162 -0.640 1.00 0.00 N ATOM 949 CZ ARG A 68 -9.640 10.121 -0.641 1.00 0.00 C ATOM 950 NH1 ARG A 68 -9.273 8.917 -1.055 1.00 0.00 N ATOM 951 NH2 ARG A 68 -10.871 10.287 -0.182 1.00 0.00 N ATOM 0 H ARG A 68 -5.198 12.610 -1.488 1.00 0.00 H new ATOM 0 HA ARG A 68 -4.786 10.210 -2.920 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.375 12.749 -3.351 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -6.359 11.480 -4.560 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -8.348 11.229 -3.203 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -7.283 9.876 -2.879 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -6.764 10.604 -0.722 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -7.073 12.288 -1.094 1.00 0.00 H new ATOM 0 HE ARG A 68 -9.122 11.994 -0.152 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -8.321 8.760 -1.386 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -9.942 8.147 -1.043 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -11.166 11.199 0.167 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -11.524 9.503 -0.178 1.00 0.00 H new ATOM 962 N GLU A 69 -3.299 12.863 -4.177 1.00 0.00 N ATOM 963 CA GLU A 69 -2.202 13.269 -5.052 1.00 0.00 C ATOM 964 C GLU A 69 -0.893 12.583 -4.633 1.00 0.00 C ATOM 965 O GLU A 69 -0.241 11.910 -5.430 1.00 0.00 O ATOM 966 CB GLU A 69 -2.086 14.803 -5.048 1.00 0.00 C ATOM 967 CG GLU A 69 -3.102 15.451 -6.003 1.00 0.00 C ATOM 968 CD GLU A 69 -2.788 15.142 -7.459 1.00 0.00 C ATOM 969 OE1 GLU A 69 -1.742 15.614 -7.957 1.00 0.00 O ATOM 970 OE2 GLU A 69 -3.503 14.319 -8.072 1.00 0.00 O ATOM 0 H GLU A 69 -3.640 13.611 -3.573 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.408 12.950 -6.074 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.246 15.178 -4.037 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.076 15.093 -5.339 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.104 15.094 -5.764 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.104 16.531 -5.853 1.00 0.00 H new ATOM 975 N LEU A 70 -0.531 12.705 -3.357 1.00 0.00 N ATOM 976 CA LEU A 70 0.638 12.070 -2.753 1.00 0.00 C ATOM 977 C LEU A 70 0.695 10.582 -3.116 1.00 0.00 C ATOM 978 O LEU A 70 1.736 10.061 -3.510 1.00 0.00 O ATOM 979 CB LEU A 70 0.562 12.234 -1.220 1.00 0.00 C ATOM 980 CG LEU A 70 1.877 12.207 -0.423 1.00 0.00 C ATOM 981 CD1 LEU A 70 3.027 11.518 -1.135 1.00 0.00 C ATOM 982 CD2 LEU A 70 2.279 13.626 -0.039 1.00 0.00 C ATOM 0 H LEU A 70 -1.062 13.268 -2.693 1.00 0.00 H new ATOM 0 HA LEU A 70 1.541 12.548 -3.134 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.064 13.181 -1.010 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.080 11.443 -0.831 1.00 0.00 H new ATOM 0 HG LEU A 70 1.676 11.609 0.466 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.915 11.544 -0.503 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.759 10.482 -1.341 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.235 12.032 -2.073 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.211 13.600 0.525 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.418 14.222 -0.941 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.496 14.073 0.574 1.00 0.00 H new ATOM 993 N SER A 71 -0.450 9.896 -3.036 1.00 0.00 N ATOM 994 CA SER A 71 -0.577 8.479 -3.324 1.00 0.00 C ATOM 995 C SER A 71 0.154 8.092 -4.613 1.00 0.00 C ATOM 996 O SER A 71 0.866 7.092 -4.648 1.00 0.00 O ATOM 997 CB SER A 71 -2.059 8.100 -3.407 1.00 0.00 C ATOM 998 OG SER A 71 -2.666 8.180 -2.131 1.00 0.00 O ATOM 0 H SER A 71 -1.332 10.330 -2.761 1.00 0.00 H new ATOM 0 HA SER A 71 -0.108 7.924 -2.511 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.572 8.765 -4.102 1.00 0.00 H new ATOM 0 HB3 SER A 71 -2.160 7.089 -3.801 1.00 0.00 H new ATOM 0 HG SER A 71 -2.697 9.116 -1.842 1.00 0.00 H new ATOM 1003 N LYS A 72 0.044 8.924 -5.652 1.00 0.00 N ATOM 1004 CA LYS A 72 0.691 8.683 -6.945 1.00 0.00 C ATOM 1005 C LYS A 72 2.203 8.463 -6.804 1.00 0.00 C ATOM 1006 O LYS A 72 2.773 7.627 -7.498 1.00 0.00 O ATOM 1007 CB LYS A 72 0.405 9.839 -7.913 1.00 0.00 C ATOM 1008 CG LYS A 72 -1.096 10.136 -7.963 1.00 0.00 C ATOM 1009 CD LYS A 72 -1.482 11.159 -9.041 1.00 0.00 C ATOM 1010 CE LYS A 72 -0.768 12.502 -8.832 1.00 0.00 C ATOM 1011 NZ LYS A 72 -1.476 13.604 -9.513 1.00 0.00 N ATOM 0 H LYS A 72 -0.498 9.787 -5.620 1.00 0.00 H new ATOM 0 HA LYS A 72 0.267 7.765 -7.352 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.948 10.730 -7.596 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.765 9.584 -8.910 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -1.636 9.207 -8.145 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -1.418 10.507 -6.990 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.231 10.763 -10.025 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -2.561 11.314 -9.026 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -0.700 12.717 -7.766 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.252 12.435 -9.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -1.140 14.515 -9.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.289 13.557 -10.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -2.498 13.517 -9.343 1.00 0.00 H new ATOM 1021 N THR A 73 2.833 9.204 -5.886 1.00 0.00 N ATOM 1022 CA THR A 73 4.271 9.083 -5.587 1.00 0.00 C ATOM 1023 C THR A 73 4.631 8.133 -4.433 1.00 0.00 C ATOM 1024 O THR A 73 5.797 8.034 -4.054 1.00 0.00 O ATOM 1025 CB THR A 73 4.916 10.462 -5.397 1.00 0.00 C ATOM 1026 OG1 THR A 73 6.319 10.326 -5.448 1.00 0.00 O ATOM 1027 CG2 THR A 73 4.561 11.176 -4.096 1.00 0.00 C ATOM 0 H THR A 73 2.359 9.911 -5.324 1.00 0.00 H new ATOM 0 HA THR A 73 4.694 8.605 -6.471 1.00 0.00 H new ATOM 0 HB THR A 73 4.518 11.077 -6.204 1.00 0.00 H new ATOM 0 HG1 THR A 73 6.584 9.495 -5.002 1.00 0.00 H new ATOM 0 HG21 THR A 73 5.068 12.140 -4.060 1.00 0.00 H new ATOM 0 HG22 THR A 73 3.483 11.330 -4.048 1.00 0.00 H new ATOM 0 HG23 THR A 73 4.878 10.568 -3.249 1.00 0.00 H new ATOM 1035 N PHE A 74 3.632 7.454 -3.875 1.00 0.00 N ATOM 1036 CA PHE A 74 3.718 6.441 -2.813 1.00 0.00 C ATOM 1037 C PHE A 74 3.409 5.034 -3.353 1.00 0.00 C ATOM 1038 O PHE A 74 3.835 4.013 -2.808 1.00 0.00 O ATOM 1039 CB PHE A 74 2.707 6.856 -1.747 1.00 0.00 C ATOM 1040 CG PHE A 74 3.210 7.714 -0.604 1.00 0.00 C ATOM 1041 CD1 PHE A 74 4.378 8.496 -0.681 1.00 0.00 C ATOM 1042 CD2 PHE A 74 2.425 7.759 0.555 1.00 0.00 C ATOM 1043 CE1 PHE A 74 4.749 9.303 0.411 1.00 0.00 C ATOM 1044 CE2 PHE A 74 2.746 8.623 1.610 1.00 0.00 C ATOM 1045 CZ PHE A 74 3.885 9.431 1.512 1.00 0.00 C ATOM 0 H PHE A 74 2.668 7.605 -4.171 1.00 0.00 H new ATOM 0 HA PHE A 74 4.726 6.390 -2.403 1.00 0.00 H new ATOM 0 HB2 PHE A 74 1.898 7.394 -2.241 1.00 0.00 H new ATOM 0 HB3 PHE A 74 2.274 5.950 -1.323 1.00 0.00 H new ATOM 0 HD1 PHE A 74 4.986 8.477 -1.573 1.00 0.00 H new ATOM 0 HD2 PHE A 74 1.559 7.118 0.637 1.00 0.00 H new ATOM 0 HE1 PHE A 74 5.696 9.823 0.403 1.00 0.00 H new ATOM 0 HE2 PHE A 74 2.121 8.665 2.490 1.00 0.00 H new ATOM 0 HZ PHE A 74 4.100 10.155 2.284 1.00 0.00 H new ATOM 1054 N ILE A 75 2.633 4.987 -4.432 1.00 0.00 N ATOM 1055 CA ILE A 75 2.358 3.804 -5.215 1.00 0.00 C ATOM 1056 C ILE A 75 3.611 3.228 -5.867 1.00 0.00 C ATOM 1057 O ILE A 75 4.572 3.928 -6.176 1.00 0.00 O ATOM 1058 CB ILE A 75 1.350 4.206 -6.316 1.00 0.00 C ATOM 1059 CG1 ILE A 75 -0.044 4.127 -5.697 1.00 0.00 C ATOM 1060 CG2 ILE A 75 1.407 3.406 -7.632 1.00 0.00 C ATOM 1061 CD1 ILE A 75 -1.122 4.475 -6.710 1.00 0.00 C ATOM 0 H ILE A 75 2.161 5.815 -4.794 1.00 0.00 H new ATOM 0 HA ILE A 75 1.962 3.031 -4.556 1.00 0.00 H new ATOM 0 HB ILE A 75 1.621 5.212 -6.635 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.216 3.122 -5.311 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.106 4.809 -4.849 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.652 3.784 -8.321 1.00 0.00 H new ATOM 0 HG22 ILE A 75 2.394 3.514 -8.081 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.216 2.353 -7.426 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.101 4.409 -6.236 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.964 5.489 -7.076 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.075 3.777 -7.546 1.00 0.00 H new ATOM 1072 N ILE A 76 3.512 1.933 -6.148 1.00 0.00 N ATOM 1073 CA ILE A 76 4.418 1.184 -7.006 1.00 0.00 C ATOM 1074 C ILE A 76 3.677 0.640 -8.244 1.00 0.00 C ATOM 1075 O ILE A 76 4.258 0.553 -9.323 1.00 0.00 O ATOM 1076 CB ILE A 76 5.121 0.083 -6.206 1.00 0.00 C ATOM 1077 CG1 ILE A 76 4.084 -0.886 -5.629 1.00 0.00 C ATOM 1078 CG2 ILE A 76 5.975 0.706 -5.092 1.00 0.00 C ATOM 1079 CD1 ILE A 76 4.764 -2.008 -4.842 1.00 0.00 C ATOM 0 H ILE A 76 2.765 1.353 -5.766 1.00 0.00 H new ATOM 0 HA ILE A 76 5.193 1.854 -7.378 1.00 0.00 H new ATOM 0 HB ILE A 76 5.782 -0.478 -6.867 1.00 0.00 H new ATOM 0 HG12 ILE A 76 3.397 -0.345 -4.978 1.00 0.00 H new ATOM 0 HG13 ILE A 76 3.489 -1.312 -6.437 1.00 0.00 H new ATOM 0 HG21 ILE A 76 6.471 -0.084 -4.529 1.00 0.00 H new ATOM 0 HG22 ILE A 76 6.725 1.363 -5.533 1.00 0.00 H new ATOM 0 HG23 ILE A 76 5.336 1.282 -4.423 1.00 0.00 H new ATOM 0 HD11 ILE A 76 4.007 -2.683 -4.442 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.432 -2.562 -5.502 1.00 0.00 H new ATOM 0 HD13 ILE A 76 5.338 -1.580 -4.020 1.00 0.00 H new ATOM 1090 N GLY A 77 2.384 0.297 -8.118 1.00 0.00 N ATOM 1091 CA GLY A 77 1.555 -0.057 -9.267 1.00 0.00 C ATOM 1092 C GLY A 77 0.141 -0.503 -8.877 1.00 0.00 C ATOM 1093 O GLY A 77 -0.567 0.238 -8.204 1.00 0.00 O ATOM 0 H GLY A 77 1.894 0.259 -7.224 1.00 0.00 H new ATOM 0 HA2 GLY A 77 1.487 0.801 -9.936 1.00 0.00 H new ATOM 0 HA3 GLY A 77 2.041 -0.858 -9.824 1.00 0.00 H new ATOM 1097 N GLU A 78 -0.266 -1.708 -9.291 1.00 0.00 N ATOM 1098 CA GLU A 78 -1.572 -2.321 -9.018 1.00 0.00 C ATOM 1099 C GLU A 78 -1.400 -3.728 -8.427 1.00 0.00 C ATOM 1100 O GLU A 78 -0.356 -4.358 -8.581 1.00 0.00 O ATOM 1101 CB GLU A 78 -2.356 -2.449 -10.324 1.00 0.00 C ATOM 1102 CG GLU A 78 -2.932 -1.105 -10.787 1.00 0.00 C ATOM 1103 CD GLU A 78 -3.870 -1.195 -11.985 1.00 0.00 C ATOM 1104 OE1 GLU A 78 -4.513 -2.260 -12.140 1.00 0.00 O ATOM 1105 OE2 GLU A 78 -3.973 -0.173 -12.693 1.00 0.00 O ATOM 0 H GLU A 78 0.335 -2.312 -9.852 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.103 -1.689 -8.306 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -1.704 -2.850 -11.100 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.168 -3.164 -10.190 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.469 -0.649 -9.955 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -2.107 -0.438 -11.038 1.00 0.00 H new ATOM 1110 N LEU A 79 -2.478 -4.277 -7.868 1.00 0.00 N ATOM 1111 CA LEU A 79 -2.531 -5.623 -7.290 1.00 0.00 C ATOM 1112 C LEU A 79 -2.615 -6.752 -8.292 1.00 0.00 C ATOM 1113 O LEU A 79 -2.982 -7.844 -7.912 1.00 0.00 O ATOM 1114 CB LEU A 79 -3.618 -5.664 -6.193 1.00 0.00 C ATOM 1115 CG LEU A 79 -4.907 -6.480 -6.465 1.00 0.00 C ATOM 1116 CD1 LEU A 79 -4.885 -7.717 -5.571 1.00 0.00 C ATOM 1117 CD2 LEU A 79 -6.135 -5.651 -6.118 1.00 0.00 C ATOM 0 H LEU A 79 -3.368 -3.783 -7.802 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.564 -5.817 -6.826 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.160 -6.059 -5.286 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.914 -4.637 -5.980 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.949 -6.758 -7.518 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -5.784 -8.308 -5.745 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.005 -8.318 -5.803 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.850 -7.410 -4.526 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -7.035 -6.234 -6.313 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.102 -5.376 -5.064 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -6.149 -4.748 -6.728 1.00 0.00 H new ATOM 1128 N HIS A 80 -2.242 -6.500 -9.546 1.00 0.00 N ATOM 1129 CA HIS A 80 -2.375 -7.431 -10.660 1.00 0.00 C ATOM 1130 C HIS A 80 -3.831 -7.640 -11.039 1.00 0.00 C ATOM 1131 O HIS A 80 -4.721 -7.262 -10.275 1.00 0.00 O ATOM 1132 CB HIS A 80 -1.642 -8.718 -10.326 1.00 0.00 C ATOM 1133 CG HIS A 80 -1.404 -9.696 -11.416 1.00 0.00 C ATOM 1134 ND1 HIS A 80 -1.888 -10.970 -11.524 1.00 0.00 N ATOM 1135 CD2 HIS A 80 -0.522 -9.483 -12.428 1.00 0.00 C ATOM 1136 CE1 HIS A 80 -1.415 -11.459 -12.687 1.00 0.00 C ATOM 1137 NE2 HIS A 80 -0.570 -10.591 -13.273 1.00 0.00 N ATOM 0 H HIS A 80 -1.825 -5.611 -9.821 1.00 0.00 H new ATOM 0 HA HIS A 80 -1.909 -7.011 -11.551 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -0.674 -8.449 -9.904 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -2.202 -9.225 -9.541 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -2.488 -11.454 -10.856 1.00 0.00 H new ATOM 0 HD2 HIS A 80 0.104 -8.612 -12.555 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -1.680 -12.423 -13.096 1.00 0.00 H new ATOM 1144 N PRO A 81 -4.125 -8.106 -12.256 1.00 0.00 N ATOM 1145 CA PRO A 81 -5.483 -8.406 -12.617 1.00 0.00 C ATOM 1146 C PRO A 81 -5.864 -9.845 -12.354 1.00 0.00 C ATOM 1147 O PRO A 81 -7.048 -10.152 -12.453 1.00 0.00 O ATOM 1148 CB PRO A 81 -5.589 -8.086 -14.093 1.00 0.00 C ATOM 1149 CG PRO A 81 -4.159 -7.999 -14.629 1.00 0.00 C ATOM 1150 CD PRO A 81 -3.273 -8.281 -13.424 1.00 0.00 C ATOM 0 HA PRO A 81 -6.171 -7.818 -12.010 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -6.152 -8.859 -14.617 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -6.118 -7.146 -14.248 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -3.990 -8.726 -15.423 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -3.953 -7.014 -15.049 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -2.868 -9.292 -13.465 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -2.424 -7.598 -13.395 1.00 0.00 H new ATOM 1155 N ASP A 82 -4.909 -10.701 -11.994 1.00 0.00 N ATOM 1156 CA ASP A 82 -5.301 -12.107 -11.776 1.00 0.00 C ATOM 1157 C ASP A 82 -5.459 -12.318 -10.271 1.00 0.00 C ATOM 1158 O ASP A 82 -5.126 -13.371 -9.731 1.00 0.00 O ATOM 1159 CB ASP A 82 -4.276 -13.035 -12.449 1.00 0.00 C ATOM 1160 CG ASP A 82 -4.781 -14.449 -12.710 1.00 0.00 C ATOM 1161 OD1 ASP A 82 -5.994 -14.601 -12.966 1.00 0.00 O ATOM 1162 OD2 ASP A 82 -3.917 -15.351 -12.717 1.00 0.00 O ATOM 0 H ASP A 82 -3.924 -10.478 -11.853 1.00 0.00 H new ATOM 0 HA ASP A 82 -6.258 -12.351 -12.237 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -3.970 -12.591 -13.396 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -3.387 -13.090 -11.821 1.00 0.00 H new ATOM 1166 N ASP A 83 -5.991 -11.285 -9.600 1.00 0.00 N ATOM 1167 CA ASP A 83 -5.785 -11.171 -8.188 1.00 0.00 C ATOM 1168 C ASP A 83 -7.014 -10.520 -7.540 1.00 0.00 C ATOM 1169 O ASP A 83 -7.614 -11.003 -6.583 1.00 0.00 O ATOM 1170 CB ASP A 83 -4.556 -10.242 -8.270 1.00 0.00 C ATOM 1171 CG ASP A 83 -3.250 -10.979 -8.020 1.00 0.00 C ATOM 1172 OD1 ASP A 83 -2.691 -11.466 -9.029 1.00 0.00 O ATOM 1173 OD2 ASP A 83 -2.809 -11.030 -6.853 1.00 0.00 O ATOM 0 H ASP A 83 -6.551 -10.543 -10.020 1.00 0.00 H new ATOM 0 HA ASP A 83 -5.643 -12.076 -7.598 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -4.523 -9.775 -9.254 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -4.662 -9.440 -7.540 1.00 0.00 H new ATOM 1177 N ARG A 84 -7.308 -9.375 -8.135 1.00 0.00 N ATOM 1178 CA ARG A 84 -8.329 -8.387 -7.919 1.00 0.00 C ATOM 1179 C ARG A 84 -9.801 -8.805 -8.071 1.00 0.00 C ATOM 1180 O ARG A 84 -10.645 -7.972 -7.660 1.00 0.00 O ATOM 1181 CB ARG A 84 -7.937 -7.307 -8.926 1.00 0.00 C ATOM 1182 CG ARG A 84 -8.620 -7.334 -10.302 1.00 0.00 C ATOM 1183 CD ARG A 84 -8.289 -6.062 -11.095 1.00 0.00 C ATOM 1184 NE ARG A 84 -6.846 -5.793 -11.043 1.00 0.00 N ATOM 1185 CZ ARG A 84 -6.182 -4.695 -11.393 1.00 0.00 C ATOM 1186 NH1 ARG A 84 -6.745 -3.640 -11.955 1.00 0.00 N ATOM 1187 NH2 ARG A 84 -4.885 -4.650 -11.175 1.00 0.00 N ATOM 1188 OXT ARG A 84 -10.067 -9.877 -8.654 1.00 0.00 O ATOM 0 H ARG A 84 -6.723 -9.079 -8.917 1.00 0.00 H new ATOM 0 HA ARG A 84 -8.340 -8.095 -6.869 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -8.136 -6.336 -8.472 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -6.860 -7.370 -9.084 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -8.293 -8.212 -10.859 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -9.699 -7.420 -10.177 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -8.608 -6.177 -12.131 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -8.839 -5.215 -10.685 1.00 0.00 H new ATOM 0 HE ARG A 84 -6.271 -6.557 -10.688 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -7.747 -3.637 -12.145 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -6.177 -2.828 -12.199 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -4.412 -5.446 -10.747 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -4.353 -3.819 -11.434 1.00 0.00 H new TER 1199 ARG A 84 HETATM 1200 FE HEM A 201 -2.927 9.023 6.291 1.00 0.00 FE HETATM 1201 CHA HEM A 201 -3.755 11.641 8.395 1.00 0.00 C HETATM 1202 CHB HEM A 201 -1.543 11.263 4.033 1.00 0.00 C HETATM 1203 CHC HEM A 201 -2.400 6.404 4.098 1.00 0.00 C HETATM 1204 CHD HEM A 201 -4.246 6.752 8.634 1.00 0.00 C HETATM 1205 NA HEM A 201 -2.602 11.072 6.269 1.00 0.00 N HETATM 1206 C1A HEM A 201 -3.086 11.931 7.207 1.00 0.00 C HETATM 1207 C2A HEM A 201 -2.887 13.270 6.709 1.00 0.00 C HETATM 1208 C3A HEM A 201 -2.182 13.177 5.529 1.00 0.00 C HETATM 1209 C4A HEM A 201 -2.056 11.771 5.225 1.00 0.00 C HETATM 1210 CMA HEM A 201 -1.798 14.335 4.635 1.00 0.00 C HETATM 1211 CAA HEM A 201 -3.556 14.508 7.265 1.00 0.00 C HETATM 1212 CBA HEM A 201 -5.047 14.586 6.958 1.00 0.00 C HETATM 1213 CGA HEM A 201 -5.360 15.005 5.523 1.00 0.00 C HETATM 1214 O1A HEM A 201 -5.670 14.115 4.702 1.00 0.00 O HETATM 1215 O2A HEM A 201 -5.319 16.227 5.270 1.00 0.00 O HETATM 1216 NB HEM A 201 -2.119 8.863 4.440 1.00 0.00 N HETATM 1217 C1B HEM A 201 -1.579 9.904 3.708 1.00 0.00 C HETATM 1218 C2B HEM A 201 -1.059 9.342 2.484 1.00 0.00 C HETATM 1219 C3B HEM A 201 -1.335 8.000 2.527 1.00 0.00 C HETATM 1220 C4B HEM A 201 -2.006 7.691 3.751 1.00 0.00 C HETATM 1221 CMB HEM A 201 -0.493 10.086 1.307 1.00 0.00 C HETATM 1222 CAB HEM A 201 -0.609 6.938 1.747 1.00 0.00 C HETATM 1223 CBB HEM A 201 -1.103 6.455 0.591 1.00 0.00 C HETATM 1224 NC HEM A 201 -3.262 6.953 6.347 1.00 0.00 N HETATM 1225 C1C HEM A 201 -2.999 6.100 5.306 1.00 0.00 C HETATM 1226 C2C HEM A 201 -3.489 4.790 5.657 1.00 0.00 C HETATM 1227 C3C HEM A 201 -3.912 4.895 6.961 1.00 0.00 C HETATM 1228 C4C HEM A 201 -3.814 6.267 7.393 1.00 0.00 C HETATM 1229 CMC HEM A 201 -3.544 3.566 4.762 1.00 0.00 C HETATM 1230 CAC HEM A 201 -4.725 3.852 7.685 1.00 0.00 C HETATM 1231 CBC HEM A 201 -4.151 2.765 8.245 1.00 0.00 C HETATM 1232 ND HEM A 201 -3.800 9.166 8.208 1.00 0.00 N HETATM 1233 C1D HEM A 201 -4.243 8.116 8.969 1.00 0.00 C HETATM 1234 C2D HEM A 201 -4.770 8.667 10.201 1.00 0.00 C HETATM 1235 C3D HEM A 201 -4.624 10.041 10.128 1.00 0.00 C HETATM 1236 C4D HEM A 201 -4.025 10.344 8.849 1.00 0.00 C HETATM 1237 CMD HEM A 201 -5.451 7.888 11.305 1.00 0.00 C HETATM 1238 CAD HEM A 201 -4.978 11.097 11.157 1.00 0.00 C HETATM 1239 CBD HEM A 201 -5.236 10.652 12.593 1.00 0.00 C HETATM 1240 CGD HEM A 201 -5.155 11.833 13.549 1.00 0.00 C HETATM 1241 O1D HEM A 201 -6.232 12.350 13.910 1.00 0.00 O HETATM 1242 O2D HEM A 201 -4.008 12.202 13.882 1.00 0.00 O HETATM 0 HMA1 HEM A 201 -0.967 14.040 3.994 1.00 0.00 H new HETATM 0 HMA2 HEM A 201 -1.499 15.185 5.249 1.00 0.00 H new HETATM 0 HMA3 HEM A 201 -2.651 14.616 4.017 1.00 0.00 H new HETATM 0 HMB1 HEM A 201 0.260 9.470 0.815 1.00 0.00 H new HETATM 0 HMB2 HEM A 201 -0.035 11.014 1.649 1.00 0.00 H new HETATM 0 HMB3 HEM A 201 -1.293 10.314 0.602 1.00 0.00 H new HETATM 0 HMC1 HEM A 201 -3.674 3.878 3.726 1.00 0.00 H new HETATM 0 HMC2 HEM A 201 -4.382 2.936 5.059 1.00 0.00 H new HETATM 0 HMC3 HEM A 201 -2.615 3.003 4.858 1.00 0.00 H new HETATM 0 HMD1 HEM A 201 -5.960 7.023 10.879 1.00 0.00 H new HETATM 0 HMD2 HEM A 201 -6.178 8.527 11.806 1.00 0.00 H new HETATM 0 HMD3 HEM A 201 -4.706 7.552 12.026 1.00 0.00 H new HETATM 0 HBB1 HEM A 201 -0.558 5.686 0.045 1.00 0.00 H new HETATM 0 HBB2 HEM A 201 -2.048 6.834 0.202 1.00 0.00 H new HETATM 0 HBC1 HEM A 201 -4.767 2.029 8.762 1.00 0.00 H new HETATM 0 HBC2 HEM A 201 -3.072 2.624 8.180 1.00 0.00 H new HETATM 0 HBA1 HEM A 201 -5.513 15.294 7.643 1.00 0.00 H new HETATM 0 HBA2 HEM A 201 -5.499 13.613 7.149 1.00 0.00 H new HETATM 0 HAA1 HEM A 201 -3.063 15.391 6.858 1.00 0.00 H new HETATM 0 HAA2 HEM A 201 -3.414 14.533 8.345 1.00 0.00 H new HETATM 0 HBD1 HEM A 201 -4.506 9.895 12.880 1.00 0.00 H new HETATM 0 HBD2 HEM A 201 -6.220 10.189 12.663 1.00 0.00 H new HETATM 0 HAD1 HEM A 201 -5.869 11.618 10.806 1.00 0.00 H new HETATM 0 HAD2 HEM A 201 -4.169 11.827 11.176 1.00 0.00 H new HETATM 0 HHA HEM A 201 -4.086 12.469 9.004 1.00 0.00 H new HETATM 0 HHB HEM A 201 -1.098 11.950 3.329 1.00 0.00 H new HETATM 0 HHC HEM A 201 -2.230 5.605 3.391 1.00 0.00 H new HETATM 0 HHD HEM A 201 -4.598 6.043 9.369 1.00 0.00 H new HETATM 0 HAB HEM A 201 0.337 6.551 2.126 1.00 0.00 H new HETATM 0 HAC HEM A 201 -5.805 3.978 7.759 1.00 0.00 H new