USER MOD reduce.3.24.130724 H: found=0, std=0, add=1017, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 0 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 27 ASN :FLIP amide:sc= -4.23! C(o=-16!,f=-13!) USER MOD Set 1.2: A 29 GLN :FLIP amide:sc= -9.64! C(o=-14!,f=-13!) USER MOD Set 1.3: A 101 SER OG : rot 169:sc= 0.794 USER MOD Set 2.1: A 69 ASN : amide:sc= -1.23 K(o=-2.9,f=-5.2!) USER MOD Set 2.2: A 73 HIS :FLIP no HD1:sc= -1.72 F(o=-5.9!,f=-2.9) USER MOD Set 3.1: A 37 ASN : amide:sc= 0.0515 K(o=0.11,f=-1.1) USER MOD Set 3.2: A 80 LYS NZ :NH3+ -150:sc= 0.0584 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -154:sc= -0.0577 (180deg=-0.43) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.253 K(o=-0.25,f=-2.4!) USER MOD Single : A 16 GLN : amide:sc= -0.151 X(o=-0.15,f=-0.15) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HE2:sc= -0.561 K(o=-0.56,f=-1.5) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 150:sc= 0 USER MOD Single : A 35 CYS SG : rot 75:sc= -1.41! USER MOD Single : A 36 ASN : amide:sc= -0.119 K(o=-0.12,f=-1.8) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 HIS :FLIP no HD1:sc= -2.64 F(o=-4.8!,f=-2.6) USER MOD Single : A 48 SER OG : rot 85:sc= -0.294! USER MOD Single : A 50 SER OG : rot 70:sc= -1.76 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN :FLIP amide:sc= 0.0315 F(o=-0.5,f=0.031) USER MOD Single : A 60 ASN : amide:sc= -0.0575 X(o=-0.057,f=-0.29) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -134:sc= 0.245 (180deg=-2.91!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 HIS :FLIP no HD1:sc= -6.21! C(o=-8.3!,f=-6.2!) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 MET CE :methyl 167:sc= -6.16! (180deg=-7.36!) USER MOD Single : A 94 THR OG1 : rot 180:sc= -1.11 USER MOD Single : A 95 THR OG1 : rot -150:sc= -1.22 USER MOD Single : A 97 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 ASN : amide:sc= -0.042 X(o=-0.042,f=-0.31) USER MOD Single : A 104 HIS :FLIP no HD1:sc= -12.3! C(o=-14!,f=-12!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 ASN : amide:sc= -3.78! C(o=-3.8!,f=-4.7!) USER MOD Single : A 114 LYS NZ :NH3+ 179:sc= 0.739 (180deg=0.738) USER MOD Single : A 115 LYS NZ :NH3+ 169:sc=-0.00577 (180deg=-0.221) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -20.223 -14.153 -11.813 1.00 0.00 N ATOM 2 CA MET A 1 -19.727 -12.826 -11.494 1.00 0.00 C ATOM 3 C MET A 1 -18.523 -12.466 -12.366 1.00 0.00 C ATOM 4 O MET A 1 -17.531 -13.193 -12.391 1.00 0.00 O ATOM 5 CB MET A 1 -19.324 -12.772 -10.019 1.00 0.00 C ATOM 6 CG MET A 1 -20.555 -12.796 -9.113 1.00 0.00 C ATOM 7 SD MET A 1 -21.174 -11.138 -8.879 1.00 0.00 S ATOM 8 CE MET A 1 -22.818 -11.324 -9.549 1.00 0.00 C ATOM 0 H1 MET A 1 -21.233 -14.214 -11.571 1.00 0.00 H new ATOM 0 H2 MET A 1 -20.099 -14.335 -12.829 1.00 0.00 H new ATOM 0 H3 MET A 1 -19.693 -14.862 -11.267 1.00 0.00 H new ATOM 0 HA MET A 1 -20.521 -12.105 -11.689 1.00 0.00 H new ATOM 0 HB2 MET A 1 -18.678 -13.618 -9.784 1.00 0.00 H new ATOM 0 HB3 MET A 1 -18.746 -11.868 -9.829 1.00 0.00 H new ATOM 0 HG2 MET A 1 -21.329 -13.423 -9.555 1.00 0.00 H new ATOM 0 HG3 MET A 1 -20.299 -13.237 -8.150 1.00 0.00 H new ATOM 0 HE1 MET A 1 -23.348 -10.374 -9.481 1.00 0.00 H new ATOM 0 HE2 MET A 1 -22.753 -11.629 -10.593 1.00 0.00 H new ATOM 0 HE3 MET A 1 -23.358 -12.082 -8.982 1.00 0.00 H new ATOM 9 N LEU A 2 -18.650 -11.346 -13.062 1.00 0.00 N ATOM 10 CA LEU A 2 -17.584 -10.881 -13.934 1.00 0.00 C ATOM 11 C LEU A 2 -16.300 -10.717 -13.119 1.00 0.00 C ATOM 12 O LEU A 2 -15.341 -11.464 -13.309 1.00 0.00 O ATOM 13 CB LEU A 2 -18.010 -9.610 -14.671 1.00 0.00 C ATOM 14 CG LEU A 2 -17.808 -9.615 -16.189 1.00 0.00 C ATOM 15 CD1 LEU A 2 -18.965 -8.908 -16.898 1.00 0.00 C ATOM 16 CD2 LEU A 2 -16.452 -9.013 -16.562 1.00 0.00 C ATOM 0 H LEU A 2 -19.475 -10.747 -13.040 1.00 0.00 H new ATOM 0 HA LEU A 2 -17.378 -11.618 -14.710 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -19.065 -9.431 -14.465 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -17.457 -8.769 -14.253 1.00 0.00 H new ATOM 0 HG LEU A 2 -17.806 -10.650 -16.531 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -18.797 -8.926 -17.975 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -19.900 -9.420 -16.668 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -19.024 -7.874 -16.557 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -16.333 -9.028 -17.645 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -16.400 -7.984 -16.206 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -15.655 -9.597 -16.101 1.00 0.00 H new ATOM 17 N LEU A 3 -16.321 -9.735 -12.229 1.00 0.00 N ATOM 18 CA LEU A 3 -15.171 -9.464 -11.386 1.00 0.00 C ATOM 19 C LEU A 3 -15.635 -9.290 -9.938 1.00 0.00 C ATOM 20 O LEU A 3 -16.788 -8.943 -9.690 1.00 0.00 O ATOM 21 CB LEU A 3 -14.380 -8.271 -11.925 1.00 0.00 C ATOM 22 CG LEU A 3 -12.918 -8.180 -11.483 1.00 0.00 C ATOM 23 CD1 LEU A 3 -12.802 -7.535 -10.101 1.00 0.00 C ATOM 24 CD2 LEU A 3 -12.243 -9.552 -11.533 1.00 0.00 C ATOM 0 H LEU A 3 -17.118 -9.117 -12.074 1.00 0.00 H new ATOM 0 HA LEU A 3 -14.481 -10.308 -11.401 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -14.408 -8.304 -13.014 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -14.888 -7.356 -11.621 1.00 0.00 H new ATOM 0 HG LEU A 3 -12.389 -7.535 -12.185 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -11.753 -7.483 -9.811 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -13.220 -6.529 -10.133 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -13.350 -8.133 -9.373 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -11.205 -9.459 -11.214 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -12.766 -10.239 -10.868 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -12.276 -9.937 -12.552 1.00 0.00 H new ATOM 25 N GLU A 4 -14.712 -9.541 -9.020 1.00 0.00 N ATOM 26 CA GLU A 4 -15.012 -9.416 -7.604 1.00 0.00 C ATOM 27 C GLU A 4 -14.275 -8.215 -7.009 1.00 0.00 C ATOM 28 O GLU A 4 -14.282 -7.129 -7.587 1.00 0.00 O ATOM 29 CB GLU A 4 -14.661 -10.702 -6.854 1.00 0.00 C ATOM 30 CG GLU A 4 -15.331 -11.916 -7.502 1.00 0.00 C ATOM 31 CD GLU A 4 -16.500 -12.415 -6.652 1.00 0.00 C ATOM 32 OE1 GLU A 4 -16.342 -12.414 -5.412 1.00 0.00 O ATOM 33 OE2 GLU A 4 -17.526 -12.788 -7.261 1.00 0.00 O ATOM 0 H GLU A 4 -13.757 -9.830 -9.230 1.00 0.00 H new ATOM 0 HA GLU A 4 -16.084 -9.251 -7.493 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -13.580 -10.840 -6.847 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -14.978 -10.619 -5.814 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -15.687 -11.651 -8.497 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -14.601 -12.715 -7.627 1.00 0.00 H new ATOM 34 N LYS A 5 -13.656 -8.450 -5.861 1.00 0.00 N ATOM 35 CA LYS A 5 -12.916 -7.402 -5.181 1.00 0.00 C ATOM 36 C LYS A 5 -11.702 -7.011 -6.025 1.00 0.00 C ATOM 37 O LYS A 5 -10.990 -6.062 -5.696 1.00 0.00 O ATOM 38 CB LYS A 5 -12.561 -7.833 -3.756 1.00 0.00 C ATOM 39 CG LYS A 5 -11.614 -9.036 -3.768 1.00 0.00 C ATOM 40 CD LYS A 5 -11.273 -9.478 -2.343 1.00 0.00 C ATOM 41 CE LYS A 5 -11.733 -10.915 -2.091 1.00 0.00 C ATOM 42 NZ LYS A 5 -10.567 -11.816 -1.951 1.00 0.00 N ATOM 0 H LYS A 5 -13.652 -9.352 -5.385 1.00 0.00 H new ATOM 0 HA LYS A 5 -13.532 -6.509 -5.075 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -12.094 -7.003 -3.227 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -13.471 -8.087 -3.211 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -12.076 -9.862 -4.308 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -10.699 -8.778 -4.302 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -10.197 -9.403 -2.183 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -11.750 -8.809 -1.627 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -12.341 -10.955 -1.188 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -12.363 -11.251 -2.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -10.897 -12.787 -1.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -10.002 -11.791 -2.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -9.981 -11.504 -1.150 1.00 0.00 H new ATOM 43 N ALA A 6 -11.501 -7.762 -7.099 1.00 0.00 N ATOM 44 CA ALA A 6 -10.384 -7.506 -7.993 1.00 0.00 C ATOM 45 C ALA A 6 -9.082 -7.924 -7.307 1.00 0.00 C ATOM 46 O ALA A 6 -8.007 -7.442 -7.664 1.00 0.00 O ATOM 47 CB ALA A 6 -10.383 -6.031 -8.399 1.00 0.00 C ATOM 0 H ALA A 6 -12.093 -8.547 -7.370 1.00 0.00 H new ATOM 0 HA ALA A 6 -10.479 -8.095 -8.905 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -9.545 -5.839 -9.069 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -11.317 -5.793 -8.908 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -10.286 -5.409 -7.509 1.00 0.00 H new ATOM 48 N TYR A 7 -9.220 -8.814 -6.337 1.00 0.00 N ATOM 49 CA TYR A 7 -8.067 -9.301 -5.599 1.00 0.00 C ATOM 50 C TYR A 7 -7.416 -8.176 -4.793 1.00 0.00 C ATOM 51 O TYR A 7 -6.236 -8.251 -4.455 1.00 0.00 O ATOM 52 CB TYR A 7 -7.073 -9.801 -6.650 1.00 0.00 C ATOM 53 CG TYR A 7 -7.724 -10.540 -7.820 1.00 0.00 C ATOM 54 CD1 TYR A 7 -8.307 -11.774 -7.618 1.00 0.00 C ATOM 55 CD2 TYR A 7 -7.729 -9.972 -9.078 1.00 0.00 C ATOM 56 CE1 TYR A 7 -8.920 -12.470 -8.720 1.00 0.00 C ATOM 57 CE2 TYR A 7 -8.342 -10.669 -10.180 1.00 0.00 C ATOM 58 CZ TYR A 7 -8.907 -11.884 -9.946 1.00 0.00 C ATOM 0 H TYR A 7 -10.113 -9.211 -6.044 1.00 0.00 H new ATOM 0 HA TYR A 7 -8.363 -10.082 -4.898 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -6.512 -8.951 -7.038 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -6.355 -10.465 -6.169 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -8.304 -12.218 -6.634 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -7.274 -9.006 -9.236 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -9.380 -13.436 -8.575 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -8.353 -10.236 -11.170 1.00 0.00 H new ATOM 59 N ARG A 8 -8.214 -7.158 -4.506 1.00 0.00 N ATOM 60 CA ARG A 8 -7.731 -6.018 -3.745 1.00 0.00 C ATOM 61 C ARG A 8 -7.548 -6.400 -2.275 1.00 0.00 C ATOM 62 O ARG A 8 -8.429 -7.016 -1.677 1.00 0.00 O ATOM 63 CB ARG A 8 -8.701 -4.839 -3.844 1.00 0.00 C ATOM 64 CG ARG A 8 -8.064 -3.559 -3.302 1.00 0.00 C ATOM 65 CD ARG A 8 -9.000 -2.362 -3.482 1.00 0.00 C ATOM 66 NE ARG A 8 -9.846 -2.194 -2.279 1.00 0.00 N ATOM 67 CZ ARG A 8 -9.473 -1.513 -1.188 1.00 0.00 C ATOM 0 H ARG A 8 -9.193 -7.099 -4.787 1.00 0.00 H new ATOM 0 HA ARG A 8 -6.771 -5.719 -4.167 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -8.995 -4.691 -4.883 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -9.609 -5.063 -3.285 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -7.828 -3.685 -2.245 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -7.123 -3.370 -3.818 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -8.417 -1.457 -3.656 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -9.628 -2.510 -4.360 1.00 0.00 H new ATOM 0 HE ARG A 8 -10.771 -2.624 -2.281 1.00 0.00 H new ATOM 68 N ILE A 9 -6.401 -6.017 -1.735 1.00 0.00 N ATOM 69 CA ILE A 9 -6.092 -6.312 -0.347 1.00 0.00 C ATOM 70 C ILE A 9 -6.330 -5.060 0.501 1.00 0.00 C ATOM 71 O ILE A 9 -7.112 -4.189 0.121 1.00 0.00 O ATOM 72 CB ILE A 9 -4.678 -6.880 -0.221 1.00 0.00 C ATOM 73 CG1 ILE A 9 -4.274 -7.633 -1.491 1.00 0.00 C ATOM 74 CG2 ILE A 9 -4.546 -7.753 1.029 1.00 0.00 C ATOM 75 CD1 ILE A 9 -2.764 -7.878 -1.526 1.00 0.00 C ATOM 0 H ILE A 9 -5.674 -5.505 -2.234 1.00 0.00 H new ATOM 0 HA ILE A 9 -6.756 -7.087 0.034 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.985 -6.047 -0.106 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.802 -8.586 -1.537 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.574 -7.060 -2.369 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.531 -8.144 1.094 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.762 -7.155 1.915 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -5.251 -8.582 0.970 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.504 -8.415 -2.438 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.240 -6.923 -1.505 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.472 -8.472 -0.660 1.00 0.00 H new ATOM 76 N LYS A 10 -5.640 -5.010 1.630 1.00 0.00 N ATOM 77 CA LYS A 10 -5.766 -3.879 2.535 1.00 0.00 C ATOM 78 C LYS A 10 -5.259 -4.281 3.921 1.00 0.00 C ATOM 79 O LYS A 10 -4.808 -3.433 4.690 1.00 0.00 O ATOM 80 CB LYS A 10 -7.203 -3.351 2.535 1.00 0.00 C ATOM 81 CG LYS A 10 -7.334 -2.119 1.638 1.00 0.00 C ATOM 82 CD LYS A 10 -7.701 -0.881 2.458 1.00 0.00 C ATOM 83 CE LYS A 10 -6.447 -0.171 2.971 1.00 0.00 C ATOM 84 NZ LYS A 10 -6.651 1.294 2.990 1.00 0.00 N ATOM 0 H LYS A 10 -4.992 -5.734 1.940 1.00 0.00 H new ATOM 0 HA LYS A 10 -5.145 -3.049 2.197 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.881 -4.131 2.189 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -7.501 -3.098 3.552 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.395 -1.946 1.112 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -8.096 -2.296 0.879 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -8.286 -0.195 1.845 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -8.329 -1.171 3.300 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -6.207 -0.524 3.974 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.597 -0.417 2.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -5.790 1.760 3.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.858 1.628 2.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -7.449 1.525 3.615 1.00 0.00 H new ATOM 85 N LYS A 11 -5.349 -5.573 4.197 1.00 0.00 N ATOM 86 CA LYS A 11 -4.904 -6.098 5.478 1.00 0.00 C ATOM 87 C LYS A 11 -3.403 -5.850 5.631 1.00 0.00 C ATOM 88 O LYS A 11 -2.643 -6.004 4.675 1.00 0.00 O ATOM 89 CB LYS A 11 -5.304 -7.568 5.622 1.00 0.00 C ATOM 90 CG LYS A 11 -4.589 -8.435 4.584 1.00 0.00 C ATOM 91 CD LYS A 11 -5.596 -9.168 3.697 1.00 0.00 C ATOM 92 CE LYS A 11 -6.054 -10.473 4.350 1.00 0.00 C ATOM 93 NZ LYS A 11 -5.071 -11.551 4.102 1.00 0.00 N ATOM 0 H LYS A 11 -5.723 -6.273 3.556 1.00 0.00 H new ATOM 0 HA LYS A 11 -5.398 -5.576 6.297 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.059 -7.919 6.625 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -6.383 -7.668 5.504 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -3.942 -7.811 3.967 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -3.948 -9.159 5.088 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -6.458 -8.527 3.513 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -5.145 -9.381 2.728 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -6.178 -10.326 5.423 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.027 -10.762 3.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -5.398 -12.429 4.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -4.973 -11.703 3.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -4.150 -11.279 4.501 1.00 0.00 H new ATOM 94 N ASN A 12 -3.017 -5.471 6.840 1.00 0.00 N ATOM 95 CA ASN A 12 -1.619 -5.201 7.131 1.00 0.00 C ATOM 96 C ASN A 12 -0.794 -6.459 6.856 1.00 0.00 C ATOM 97 O ASN A 12 0.414 -6.379 6.642 1.00 0.00 O ATOM 98 CB ASN A 12 -1.426 -4.821 8.601 1.00 0.00 C ATOM 99 CG ASN A 12 -0.797 -3.432 8.729 1.00 0.00 C ATOM 100 OD1 ASN A 12 -0.272 -2.870 7.781 1.00 0.00 O ATOM 101 ND2 ASN A 12 -0.878 -2.912 9.950 1.00 0.00 N ATOM 0 H ASN A 12 -3.649 -5.344 7.631 1.00 0.00 H new ATOM 0 HA ASN A 12 -1.296 -4.374 6.499 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -2.388 -4.838 9.114 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -0.790 -5.559 9.091 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -0.487 -1.989 10.138 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -1.331 -3.436 10.699 1.00 0.00 H new ATOM 102 N ALA A 13 -1.479 -7.594 6.872 1.00 0.00 N ATOM 103 CA ALA A 13 -0.824 -8.867 6.627 1.00 0.00 C ATOM 104 C ALA A 13 -0.271 -8.885 5.201 1.00 0.00 C ATOM 105 O ALA A 13 0.943 -8.897 5.002 1.00 0.00 O ATOM 106 CB ALA A 13 -1.812 -10.007 6.883 1.00 0.00 C ATOM 0 H ALA A 13 -2.481 -7.658 7.051 1.00 0.00 H new ATOM 0 HA ALA A 13 0.016 -9.004 7.308 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -1.321 -10.962 6.699 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -2.153 -9.967 7.918 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.667 -9.904 6.215 1.00 0.00 H new ATOM 107 N ASP A 14 -1.187 -8.886 4.244 1.00 0.00 N ATOM 108 CA ASP A 14 -0.806 -8.902 2.842 1.00 0.00 C ATOM 109 C ASP A 14 0.064 -7.680 2.540 1.00 0.00 C ATOM 110 O ASP A 14 0.739 -7.633 1.514 1.00 0.00 O ATOM 111 CB ASP A 14 -2.037 -8.841 1.936 1.00 0.00 C ATOM 112 CG ASP A 14 -2.157 -9.990 0.932 1.00 0.00 C ATOM 113 OD1 ASP A 14 -1.240 -10.107 0.090 1.00 0.00 O ATOM 114 OD2 ASP A 14 -3.164 -10.725 1.029 1.00 0.00 O ATOM 0 H ASP A 14 -2.193 -8.876 4.412 1.00 0.00 H new ATOM 0 HA ASP A 14 -0.263 -9.828 2.651 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -2.930 -8.830 2.561 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -2.020 -7.899 1.388 1.00 0.00 H new ATOM 115 N PHE A 15 0.019 -6.722 3.455 1.00 0.00 N ATOM 116 CA PHE A 15 0.794 -5.503 3.300 1.00 0.00 C ATOM 117 C PHE A 15 2.141 -5.615 4.017 1.00 0.00 C ATOM 118 O PHE A 15 3.077 -4.879 3.707 1.00 0.00 O ATOM 119 CB PHE A 15 -0.016 -4.372 3.936 1.00 0.00 C ATOM 120 CG PHE A 15 -0.531 -3.335 2.935 1.00 0.00 C ATOM 121 CD1 PHE A 15 0.315 -2.396 2.434 1.00 0.00 C ATOM 122 CD2 PHE A 15 -1.834 -3.353 2.547 1.00 0.00 C ATOM 123 CE1 PHE A 15 -0.161 -1.434 1.505 1.00 0.00 C ATOM 124 CE2 PHE A 15 -2.312 -2.391 1.618 1.00 0.00 C ATOM 125 CZ PHE A 15 -1.466 -1.452 1.117 1.00 0.00 C ATOM 0 H PHE A 15 -0.542 -6.766 4.306 1.00 0.00 H new ATOM 0 HA PHE A 15 0.989 -5.319 2.243 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -0.865 -4.802 4.467 1.00 0.00 H new ATOM 0 HB3 PHE A 15 0.603 -3.869 4.679 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.350 -2.382 2.743 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -2.506 -4.099 2.945 1.00 0.00 H new ATOM 0 HE1 PHE A 15 0.511 -0.689 1.106 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -3.347 -2.405 1.310 1.00 0.00 H new ATOM 0 HZ PHE A 15 -1.829 -0.720 0.411 1.00 0.00 H new ATOM 126 N GLN A 16 2.197 -6.542 4.962 1.00 0.00 N ATOM 127 CA GLN A 16 3.414 -6.759 5.726 1.00 0.00 C ATOM 128 C GLN A 16 4.301 -7.792 5.028 1.00 0.00 C ATOM 129 O GLN A 16 5.476 -7.535 4.773 1.00 0.00 O ATOM 130 CB GLN A 16 3.092 -7.191 7.158 1.00 0.00 C ATOM 131 CG GLN A 16 4.124 -8.197 7.672 1.00 0.00 C ATOM 132 CD GLN A 16 4.229 -8.141 9.198 1.00 0.00 C ATOM 133 OE1 GLN A 16 4.758 -7.207 9.777 1.00 0.00 O ATOM 134 NE2 GLN A 16 3.698 -9.194 9.814 1.00 0.00 N ATOM 0 H GLN A 16 1.419 -7.151 5.216 1.00 0.00 H new ATOM 0 HA GLN A 16 3.960 -5.817 5.780 1.00 0.00 H new ATOM 0 HB2 GLN A 16 3.074 -6.318 7.810 1.00 0.00 H new ATOM 0 HB3 GLN A 16 2.097 -7.635 7.193 1.00 0.00 H new ATOM 0 HG2 GLN A 16 3.844 -9.203 7.360 1.00 0.00 H new ATOM 0 HG3 GLN A 16 5.097 -7.985 7.229 1.00 0.00 H new ATOM 0 HE21 GLN A 16 3.270 -9.942 9.268 1.00 0.00 H new ATOM 0 HE22 GLN A 16 3.719 -9.253 10.832 1.00 0.00 H new ATOM 135 N ARG A 17 3.703 -8.939 4.739 1.00 0.00 N ATOM 136 CA ARG A 17 4.426 -10.012 4.076 1.00 0.00 C ATOM 137 C ARG A 17 5.295 -9.450 2.949 1.00 0.00 C ATOM 138 O ARG A 17 6.308 -10.045 2.587 1.00 0.00 O ATOM 139 CB ARG A 17 3.460 -11.049 3.498 1.00 0.00 C ATOM 140 CG ARG A 17 4.212 -12.100 2.677 1.00 0.00 C ATOM 141 CD ARG A 17 5.088 -12.974 3.576 1.00 0.00 C ATOM 142 NE ARG A 17 4.537 -14.348 3.637 1.00 0.00 N ATOM 143 CZ ARG A 17 4.827 -15.231 4.602 1.00 0.00 C ATOM 0 H ARG A 17 2.728 -9.149 4.951 1.00 0.00 H new ATOM 0 HA ARG A 17 5.059 -10.495 4.820 1.00 0.00 H new ATOM 0 HB2 ARG A 17 2.916 -11.535 4.307 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.720 -10.552 2.870 1.00 0.00 H new ATOM 0 HG2 ARG A 17 3.499 -12.725 2.139 1.00 0.00 H new ATOM 0 HG3 ARG A 17 4.832 -11.607 1.928 1.00 0.00 H new ATOM 0 HD2 ARG A 17 6.108 -12.999 3.192 1.00 0.00 H new ATOM 0 HD3 ARG A 17 5.135 -12.547 4.578 1.00 0.00 H new ATOM 0 HE ARG A 17 3.897 -14.640 2.898 1.00 0.00 H new ATOM 144 N ILE A 18 4.866 -8.311 2.426 1.00 0.00 N ATOM 145 CA ILE A 18 5.592 -7.662 1.348 1.00 0.00 C ATOM 146 C ILE A 18 6.611 -6.687 1.941 1.00 0.00 C ATOM 147 O ILE A 18 7.773 -6.674 1.536 1.00 0.00 O ATOM 148 CB ILE A 18 4.620 -7.012 0.363 1.00 0.00 C ATOM 149 CG1 ILE A 18 3.298 -7.780 0.308 1.00 0.00 C ATOM 150 CG2 ILE A 18 5.256 -6.869 -1.021 1.00 0.00 C ATOM 151 CD1 ILE A 18 2.343 -7.158 -0.712 1.00 0.00 C ATOM 0 H ILE A 18 4.024 -7.821 2.729 1.00 0.00 H new ATOM 0 HA ILE A 18 6.152 -8.396 0.769 1.00 0.00 H new ATOM 0 HB ILE A 18 4.394 -6.007 0.720 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.489 -8.820 0.045 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.833 -7.780 1.294 1.00 0.00 H new ATOM 0 HG21 ILE A 18 4.544 -6.404 -1.702 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.148 -6.247 -0.949 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.530 -7.854 -1.399 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.411 -7.724 -0.730 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.135 -6.125 -0.433 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.801 -7.181 -1.701 1.00 0.00 H new ATOM 152 N TYR A 19 6.139 -5.891 2.890 1.00 0.00 N ATOM 153 CA TYR A 19 6.995 -4.914 3.542 1.00 0.00 C ATOM 154 C TYR A 19 8.049 -5.603 4.412 1.00 0.00 C ATOM 155 O TYR A 19 8.941 -4.947 4.947 1.00 0.00 O ATOM 156 CB TYR A 19 6.076 -4.081 4.439 1.00 0.00 C ATOM 157 CG TYR A 19 5.516 -2.829 3.763 1.00 0.00 C ATOM 158 CD1 TYR A 19 4.807 -2.940 2.583 1.00 0.00 C ATOM 159 CD2 TYR A 19 5.717 -1.589 4.333 1.00 0.00 C ATOM 160 CE1 TYR A 19 4.279 -1.761 1.946 1.00 0.00 C ATOM 161 CE2 TYR A 19 5.189 -0.410 3.696 1.00 0.00 C ATOM 162 CZ TYR A 19 4.497 -0.554 2.535 1.00 0.00 C ATOM 0 H TYR A 19 5.175 -5.903 3.223 1.00 0.00 H new ATOM 0 HA TYR A 19 7.519 -4.308 2.803 1.00 0.00 H new ATOM 0 HB2 TYR A 19 5.246 -4.705 4.770 1.00 0.00 H new ATOM 0 HB3 TYR A 19 6.628 -3.784 5.331 1.00 0.00 H new ATOM 0 HD1 TYR A 19 4.648 -3.911 2.138 1.00 0.00 H new ATOM 0 HD2 TYR A 19 6.270 -1.502 5.257 1.00 0.00 H new ATOM 0 HE1 TYR A 19 3.723 -1.833 1.023 1.00 0.00 H new ATOM 0 HE2 TYR A 19 5.340 0.567 4.131 1.00 0.00 H new ATOM 163 N LYS A 20 7.912 -6.916 4.524 1.00 0.00 N ATOM 164 CA LYS A 20 8.841 -7.700 5.319 1.00 0.00 C ATOM 165 C LYS A 20 9.972 -8.206 4.421 1.00 0.00 C ATOM 166 O LYS A 20 11.064 -7.639 4.413 1.00 0.00 O ATOM 167 CB LYS A 20 8.102 -8.813 6.065 1.00 0.00 C ATOM 168 CG LYS A 20 8.640 -8.970 7.488 1.00 0.00 C ATOM 169 CD LYS A 20 7.524 -9.379 8.453 1.00 0.00 C ATOM 170 CE LYS A 20 7.444 -10.900 8.585 1.00 0.00 C ATOM 171 NZ LYS A 20 6.086 -11.380 8.239 1.00 0.00 N ATOM 0 H LYS A 20 7.171 -7.457 4.077 1.00 0.00 H new ATOM 0 HA LYS A 20 9.299 -7.081 6.091 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.036 -8.588 6.098 1.00 0.00 H new ATOM 0 HB3 LYS A 20 8.212 -9.753 5.525 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.431 -9.720 7.501 1.00 0.00 H new ATOM 0 HG3 LYS A 20 9.086 -8.032 7.818 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.704 -8.934 9.432 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.570 -8.991 8.097 1.00 0.00 H new ATOM 0 HE2 LYS A 20 8.179 -11.367 7.930 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.692 -11.196 9.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.049 -12.415 8.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.391 -10.948 8.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.863 -11.114 7.259 1.00 0.00 H new ATOM 172 N LYS A 21 9.673 -9.268 3.688 1.00 0.00 N ATOM 173 CA LYS A 21 10.650 -9.856 2.789 1.00 0.00 C ATOM 174 C LYS A 21 10.399 -9.351 1.367 1.00 0.00 C ATOM 175 O LYS A 21 11.292 -9.392 0.523 1.00 0.00 O ATOM 176 CB LYS A 21 10.639 -11.382 2.910 1.00 0.00 C ATOM 177 CG LYS A 21 9.298 -11.958 2.454 1.00 0.00 C ATOM 178 CD LYS A 21 9.488 -13.319 1.780 1.00 0.00 C ATOM 179 CE LYS A 21 8.433 -14.320 2.260 1.00 0.00 C ATOM 180 NZ LYS A 21 8.925 -15.707 2.100 1.00 0.00 N ATOM 0 H LYS A 21 8.767 -9.737 3.699 1.00 0.00 H new ATOM 0 HA LYS A 21 11.657 -9.544 3.065 1.00 0.00 H new ATOM 0 HB2 LYS A 21 11.444 -11.804 2.308 1.00 0.00 H new ATOM 0 HB3 LYS A 21 10.830 -11.670 3.944 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.632 -12.062 3.311 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.819 -11.268 1.760 1.00 0.00 H new ATOM 0 HD2 LYS A 21 9.421 -13.206 0.698 1.00 0.00 H new ATOM 0 HD3 LYS A 21 10.485 -13.702 2.000 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.193 -14.131 3.306 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.512 -14.187 1.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 8.198 -16.373 2.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.132 -15.889 1.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 9.792 -15.835 2.660 1.00 0.00 H new ATOM 181 N GLY A 22 9.179 -8.886 1.146 1.00 0.00 N ATOM 182 CA GLY A 22 8.798 -8.372 -0.159 1.00 0.00 C ATOM 183 C GLY A 22 9.825 -7.359 -0.670 1.00 0.00 C ATOM 184 O GLY A 22 10.787 -7.040 0.026 1.00 0.00 O ATOM 0 H GLY A 22 8.441 -8.854 1.849 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.711 -9.196 -0.867 1.00 0.00 H new ATOM 0 HA3 GLY A 22 7.817 -7.901 -0.096 1.00 0.00 H new ATOM 185 N HIS A 23 9.585 -6.882 -1.883 1.00 0.00 N ATOM 186 CA HIS A 23 10.476 -5.912 -2.495 1.00 0.00 C ATOM 187 C HIS A 23 9.653 -4.856 -3.236 1.00 0.00 C ATOM 188 O HIS A 23 8.820 -5.190 -4.077 1.00 0.00 O ATOM 189 CB HIS A 23 11.498 -6.607 -3.397 1.00 0.00 C ATOM 190 CG HIS A 23 12.252 -5.668 -4.308 1.00 0.00 C ATOM 191 ND1 HIS A 23 13.557 -5.276 -4.066 1.00 0.00 N ATOM 192 CD2 HIS A 23 11.872 -5.049 -5.462 1.00 0.00 C ATOM 193 CE1 HIS A 23 13.935 -4.456 -5.037 1.00 0.00 C ATOM 194 NE2 HIS A 23 12.888 -4.317 -5.901 1.00 0.00 N ATOM 0 H HIS A 23 8.786 -7.150 -2.458 1.00 0.00 H new ATOM 0 HA HIS A 23 11.049 -5.400 -1.722 1.00 0.00 H new ATOM 0 HB2 HIS A 23 12.213 -7.143 -2.773 1.00 0.00 H new ATOM 0 HB3 HIS A 23 10.984 -7.352 -4.005 1.00 0.00 H new ATOM 0 HD1 HIS A 23 14.131 -5.568 -3.275 1.00 0.00 H new ATOM 0 HD2 HIS A 23 10.907 -5.139 -5.938 1.00 0.00 H new ATOM 0 HE1 HIS A 23 14.901 -3.982 -5.128 1.00 0.00 H new ATOM 195 N SER A 24 9.917 -3.602 -2.899 1.00 0.00 N ATOM 196 CA SER A 24 9.213 -2.495 -3.521 1.00 0.00 C ATOM 197 C SER A 24 10.190 -1.641 -4.331 1.00 0.00 C ATOM 198 O SER A 24 11.393 -1.657 -4.075 1.00 0.00 O ATOM 199 CB SER A 24 8.501 -1.636 -2.473 1.00 0.00 C ATOM 200 OG SER A 24 9.422 -0.935 -1.642 1.00 0.00 O ATOM 0 H SER A 24 10.610 -3.329 -2.202 1.00 0.00 H new ATOM 0 HA SER A 24 8.457 -2.905 -4.191 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.848 -0.921 -2.973 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.866 -2.270 -1.855 1.00 0.00 H new ATOM 0 HG SER A 24 8.929 -0.398 -0.988 1.00 0.00 H new ATOM 201 N VAL A 25 9.636 -0.916 -5.291 1.00 0.00 N ATOM 202 CA VAL A 25 10.444 -0.058 -6.141 1.00 0.00 C ATOM 203 C VAL A 25 9.824 1.340 -6.185 1.00 0.00 C ATOM 204 O VAL A 25 8.650 1.493 -6.521 1.00 0.00 O ATOM 205 CB VAL A 25 10.596 -0.687 -7.528 1.00 0.00 C ATOM 206 CG1 VAL A 25 11.343 -2.021 -7.445 1.00 0.00 C ATOM 207 CG2 VAL A 25 9.235 -0.861 -8.203 1.00 0.00 C ATOM 0 H VAL A 25 8.638 -0.905 -5.499 1.00 0.00 H new ATOM 0 HA VAL A 25 11.449 0.044 -5.733 1.00 0.00 H new ATOM 0 HB VAL A 25 11.189 -0.008 -8.141 1.00 0.00 H new ATOM 0 HG11 VAL A 25 11.438 -2.448 -8.444 1.00 0.00 H new ATOM 0 HG12 VAL A 25 12.335 -1.857 -7.025 1.00 0.00 H new ATOM 0 HG13 VAL A 25 10.788 -2.710 -6.808 1.00 0.00 H new ATOM 0 HG21 VAL A 25 9.372 -1.310 -9.187 1.00 0.00 H new ATOM 0 HG22 VAL A 25 8.606 -1.509 -7.593 1.00 0.00 H new ATOM 0 HG23 VAL A 25 8.756 0.112 -8.311 1.00 0.00 H new ATOM 208 N ALA A 26 10.639 2.325 -5.840 1.00 0.00 N ATOM 209 CA ALA A 26 10.184 3.706 -5.834 1.00 0.00 C ATOM 210 C ALA A 26 10.955 4.495 -6.895 1.00 0.00 C ATOM 211 O ALA A 26 12.168 4.341 -7.030 1.00 0.00 O ATOM 212 CB ALA A 26 10.354 4.294 -4.432 1.00 0.00 C ATOM 0 H ALA A 26 11.612 2.195 -5.562 1.00 0.00 H new ATOM 0 HA ALA A 26 9.125 3.763 -6.084 1.00 0.00 H new ATOM 0 HB1 ALA A 26 10.013 5.329 -4.428 1.00 0.00 H new ATOM 0 HB2 ALA A 26 9.765 3.715 -3.721 1.00 0.00 H new ATOM 0 HB3 ALA A 26 11.405 4.257 -4.147 1.00 0.00 H new ATOM 213 N ASN A 27 10.219 5.324 -7.620 1.00 0.00 N ATOM 214 CA ASN A 27 10.817 6.139 -8.664 1.00 0.00 C ATOM 215 C ASN A 27 10.970 7.576 -8.160 1.00 0.00 C ATOM 216 O ASN A 27 12.080 8.102 -8.103 1.00 0.00 O ATOM 217 CB ASN A 27 9.935 6.167 -9.914 1.00 0.00 C ATOM 218 CG ASN A 27 8.882 7.272 -9.816 1.00 0.00 C ATOM 219 OD1 ASN A 27 7.863 6.981 -9.013 1.00 0.00 O flip ATOM 220 ND2 ASN A 27 8.986 8.322 -10.431 1.00 0.00 N flip ATOM 0 H ASN A 27 9.213 5.449 -7.505 1.00 0.00 H new ATOM 0 HA ASN A 27 11.785 5.707 -8.916 1.00 0.00 H new ATOM 0 HB2 ASN A 27 10.554 6.327 -10.797 1.00 0.00 H new ATOM 0 HB3 ASN A 27 9.444 5.202 -10.039 1.00 0.00 H new ATOM 0 HD21 ASN A 27 9.794 8.483 -11.032 1.00 0.00 H new ATOM 0 HD22 ASN A 27 8.264 9.038 -10.344 1.00 0.00 H new ATOM 221 N ARG A 28 9.838 8.168 -7.808 1.00 0.00 N ATOM 222 CA ARG A 28 9.832 9.534 -7.311 1.00 0.00 C ATOM 223 C ARG A 28 9.021 9.624 -6.017 1.00 0.00 C ATOM 224 O ARG A 28 9.588 9.751 -4.933 1.00 0.00 O ATOM 225 CB ARG A 28 9.238 10.493 -8.345 1.00 0.00 C ATOM 226 CG ARG A 28 8.951 11.860 -7.722 1.00 0.00 C ATOM 227 CD ARG A 28 9.531 12.987 -8.579 1.00 0.00 C ATOM 228 NE ARG A 28 9.259 14.297 -7.945 1.00 0.00 N ATOM 229 CZ ARG A 28 9.906 14.759 -6.867 1.00 0.00 C ATOM 0 H ARG A 28 8.919 7.727 -7.857 1.00 0.00 H new ATOM 0 HA ARG A 28 10.865 9.821 -7.117 1.00 0.00 H new ATOM 0 HB2 ARG A 28 9.930 10.608 -9.180 1.00 0.00 H new ATOM 0 HB3 ARG A 28 8.317 10.073 -8.749 1.00 0.00 H new ATOM 0 HG2 ARG A 28 7.875 11.996 -7.616 1.00 0.00 H new ATOM 0 HG3 ARG A 28 9.378 11.904 -6.720 1.00 0.00 H new ATOM 0 HD2 ARG A 28 10.605 12.848 -8.699 1.00 0.00 H new ATOM 0 HD3 ARG A 28 9.093 12.959 -9.577 1.00 0.00 H new ATOM 0 HE ARG A 28 8.533 14.885 -8.355 1.00 0.00 H new ATOM 230 N GLN A 29 7.708 9.554 -6.173 1.00 0.00 N ATOM 231 CA GLN A 29 6.813 9.627 -5.030 1.00 0.00 C ATOM 232 C GLN A 29 5.891 8.405 -5.000 1.00 0.00 C ATOM 233 O GLN A 29 4.936 8.364 -4.225 1.00 0.00 O ATOM 234 CB GLN A 29 6.004 10.924 -5.049 1.00 0.00 C ATOM 235 CG GLN A 29 4.926 10.884 -6.134 1.00 0.00 C ATOM 236 CD GLN A 29 5.398 11.599 -7.402 1.00 0.00 C ATOM 237 OE1 GLN A 29 5.342 10.848 -8.499 1.00 0.00 O flip ATOM 238 NE2 GLN A 29 5.787 12.755 -7.385 1.00 0.00 N flip ATOM 0 H GLN A 29 7.241 9.447 -7.074 1.00 0.00 H new ATOM 0 HA GLN A 29 7.415 9.627 -4.121 1.00 0.00 H new ATOM 0 HB2 GLN A 29 5.539 11.081 -4.076 1.00 0.00 H new ATOM 0 HB3 GLN A 29 6.670 11.769 -5.224 1.00 0.00 H new ATOM 0 HG2 GLN A 29 4.678 9.849 -6.367 1.00 0.00 H new ATOM 0 HG3 GLN A 29 4.015 11.355 -5.764 1.00 0.00 H new ATOM 0 HE21 GLN A 29 5.804 13.274 -6.507 1.00 0.00 H new ATOM 0 HE22 GLN A 29 6.095 13.202 -8.248 1.00 0.00 H new ATOM 239 N PHE A 30 6.210 7.442 -5.852 1.00 0.00 N ATOM 240 CA PHE A 30 5.422 6.224 -5.933 1.00 0.00 C ATOM 241 C PHE A 30 6.281 4.994 -5.631 1.00 0.00 C ATOM 242 O PHE A 30 7.313 4.783 -6.267 1.00 0.00 O ATOM 243 CB PHE A 30 4.896 6.125 -7.365 1.00 0.00 C ATOM 244 CG PHE A 30 3.404 5.800 -7.460 1.00 0.00 C ATOM 245 CD1 PHE A 30 2.480 6.755 -7.173 1.00 0.00 C ATOM 246 CD2 PHE A 30 3.002 4.555 -7.830 1.00 0.00 C ATOM 247 CE1 PHE A 30 1.095 6.453 -7.261 1.00 0.00 C ATOM 248 CE2 PHE A 30 1.617 4.252 -7.918 1.00 0.00 C ATOM 249 CZ PHE A 30 0.693 5.208 -7.631 1.00 0.00 C ATOM 0 H PHE A 30 7.003 7.480 -6.492 1.00 0.00 H new ATOM 0 HA PHE A 30 4.612 6.256 -5.204 1.00 0.00 H new ATOM 0 HB2 PHE A 30 5.085 7.069 -7.876 1.00 0.00 H new ATOM 0 HB3 PHE A 30 5.459 5.357 -7.895 1.00 0.00 H new ATOM 0 HD1 PHE A 30 2.799 7.744 -6.878 1.00 0.00 H new ATOM 0 HD2 PHE A 30 3.736 3.796 -8.057 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.361 7.212 -7.034 1.00 0.00 H new ATOM 0 HE2 PHE A 30 1.298 3.263 -8.213 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.360 4.978 -7.697 1.00 0.00 H new ATOM 250 N VAL A 31 5.824 4.215 -4.661 1.00 0.00 N ATOM 251 CA VAL A 31 6.538 3.013 -4.268 1.00 0.00 C ATOM 252 C VAL A 31 5.653 1.792 -4.528 1.00 0.00 C ATOM 253 O VAL A 31 4.716 1.528 -3.776 1.00 0.00 O ATOM 254 CB VAL A 31 6.988 3.125 -2.811 1.00 0.00 C ATOM 255 CG1 VAL A 31 6.037 4.015 -2.009 1.00 0.00 C ATOM 256 CG2 VAL A 31 7.117 1.742 -2.168 1.00 0.00 C ATOM 0 H VAL A 31 4.968 4.393 -4.136 1.00 0.00 H new ATOM 0 HA VAL A 31 7.442 2.893 -4.865 1.00 0.00 H new ATOM 0 HB VAL A 31 7.973 3.593 -2.801 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.381 4.077 -0.976 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.018 5.013 -2.446 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.034 3.589 -2.032 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.438 1.851 -1.132 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.152 1.236 -2.197 1.00 0.00 H new ATOM 0 HG23 VAL A 31 7.853 1.153 -2.716 1.00 0.00 H new ATOM 257 N VAL A 32 5.982 1.079 -5.596 1.00 0.00 N ATOM 258 CA VAL A 32 5.230 -0.108 -5.965 1.00 0.00 C ATOM 259 C VAL A 32 5.875 -1.337 -5.321 1.00 0.00 C ATOM 260 O VAL A 32 7.067 -1.583 -5.504 1.00 0.00 O ATOM 261 CB VAL A 32 5.131 -0.213 -7.488 1.00 0.00 C ATOM 262 CG1 VAL A 32 4.229 0.885 -8.056 1.00 0.00 C ATOM 263 CG2 VAL A 32 6.518 -0.170 -8.132 1.00 0.00 C ATOM 0 H VAL A 32 6.760 1.301 -6.217 1.00 0.00 H new ATOM 0 HA VAL A 32 4.208 -0.044 -5.590 1.00 0.00 H new ATOM 0 HB VAL A 32 4.680 -1.176 -7.728 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.176 0.788 -9.140 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.229 0.789 -7.634 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.639 1.862 -7.799 1.00 0.00 H new ATOM 0 HG21 VAL A 32 6.419 -0.246 -9.215 1.00 0.00 H new ATOM 0 HG22 VAL A 32 7.008 0.770 -7.878 1.00 0.00 H new ATOM 0 HG23 VAL A 32 7.117 -1.003 -7.763 1.00 0.00 H new ATOM 264 N TYR A 33 5.061 -2.075 -4.583 1.00 0.00 N ATOM 265 CA TYR A 33 5.537 -3.273 -3.911 1.00 0.00 C ATOM 266 C TYR A 33 5.211 -4.524 -4.727 1.00 0.00 C ATOM 267 O TYR A 33 4.066 -4.727 -5.130 1.00 0.00 O ATOM 268 CB TYR A 33 4.788 -3.336 -2.579 1.00 0.00 C ATOM 269 CG TYR A 33 5.633 -2.928 -1.370 1.00 0.00 C ATOM 270 CD1 TYR A 33 6.482 -3.842 -0.782 1.00 0.00 C ATOM 271 CD2 TYR A 33 5.545 -1.645 -0.869 1.00 0.00 C ATOM 272 CE1 TYR A 33 7.277 -3.458 0.356 1.00 0.00 C ATOM 273 CE2 TYR A 33 6.339 -1.260 0.269 1.00 0.00 C ATOM 274 CZ TYR A 33 7.167 -2.186 0.825 1.00 0.00 C ATOM 0 H TYR A 33 4.073 -1.867 -4.435 1.00 0.00 H new ATOM 0 HA TYR A 33 6.618 -3.236 -3.780 1.00 0.00 H new ATOM 0 HB2 TYR A 33 3.914 -2.687 -2.634 1.00 0.00 H new ATOM 0 HB3 TYR A 33 4.422 -4.351 -2.427 1.00 0.00 H new ATOM 0 HD1 TYR A 33 6.551 -4.846 -1.175 1.00 0.00 H new ATOM 0 HD2 TYR A 33 4.880 -0.930 -1.331 1.00 0.00 H new ATOM 0 HE1 TYR A 33 7.945 -4.164 0.826 1.00 0.00 H new ATOM 0 HE2 TYR A 33 6.279 -0.260 0.672 1.00 0.00 H new ATOM 275 N THR A 34 6.237 -5.334 -4.946 1.00 0.00 N ATOM 276 CA THR A 34 6.073 -6.562 -5.706 1.00 0.00 C ATOM 277 C THR A 34 6.946 -7.672 -5.118 1.00 0.00 C ATOM 278 O THR A 34 8.073 -7.423 -4.693 1.00 0.00 O ATOM 279 CB THR A 34 6.385 -6.255 -7.172 1.00 0.00 C ATOM 280 OG1 THR A 34 7.625 -5.555 -7.124 1.00 0.00 O ATOM 281 CG2 THR A 34 5.410 -5.244 -7.779 1.00 0.00 C ATOM 0 H THR A 34 7.185 -5.164 -4.610 1.00 0.00 H new ATOM 0 HA THR A 34 5.049 -6.931 -5.647 1.00 0.00 H new ATOM 0 HB THR A 34 6.357 -7.179 -7.750 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.131 -5.729 -7.945 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.676 -5.062 -8.820 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.396 -5.641 -7.728 1.00 0.00 H new ATOM 0 HG23 THR A 34 5.462 -4.309 -7.222 1.00 0.00 H new ATOM 282 N CYS A 35 6.392 -8.876 -5.114 1.00 0.00 N ATOM 283 CA CYS A 35 7.106 -10.026 -4.586 1.00 0.00 C ATOM 284 C CYS A 35 6.160 -11.229 -4.605 1.00 0.00 C ATOM 285 O CYS A 35 4.972 -11.085 -4.889 1.00 0.00 O ATOM 286 CB CYS A 35 7.656 -9.756 -3.184 1.00 0.00 C ATOM 287 SG CYS A 35 9.405 -10.285 -3.085 1.00 0.00 S ATOM 0 H CYS A 35 5.457 -9.080 -5.468 1.00 0.00 H new ATOM 0 HA CYS A 35 7.974 -10.236 -5.211 1.00 0.00 H new ATOM 0 HB2 CYS A 35 7.575 -8.694 -2.951 1.00 0.00 H new ATOM 0 HB3 CYS A 35 7.063 -10.291 -2.442 1.00 0.00 H new ATOM 0 HG CYS A 35 10.153 -9.431 -3.719 1.00 0.00 H new ATOM 288 N ASN A 36 6.723 -12.388 -4.299 1.00 0.00 N ATOM 289 CA ASN A 36 5.945 -13.615 -4.278 1.00 0.00 C ATOM 290 C ASN A 36 5.752 -14.118 -5.712 1.00 0.00 C ATOM 291 O ASN A 36 4.941 -13.574 -6.459 1.00 0.00 O ATOM 292 CB ASN A 36 4.561 -13.380 -3.670 1.00 0.00 C ATOM 293 CG ASN A 36 4.051 -14.637 -2.963 1.00 0.00 C ATOM 294 OD1 ASN A 36 4.484 -15.747 -3.226 1.00 0.00 O ATOM 295 ND2 ASN A 36 3.109 -14.403 -2.054 1.00 0.00 N ATOM 0 H ASN A 36 7.709 -12.504 -4.064 1.00 0.00 H new ATOM 0 HA ASN A 36 6.485 -14.345 -3.675 1.00 0.00 H new ATOM 0 HB2 ASN A 36 4.607 -12.553 -2.961 1.00 0.00 H new ATOM 0 HB3 ASN A 36 3.861 -13.090 -4.453 1.00 0.00 H new ATOM 0 HD21 ASN A 36 2.704 -15.178 -1.528 1.00 0.00 H new ATOM 0 HD22 ASN A 36 2.791 -13.449 -1.883 1.00 0.00 H new ATOM 296 N ASN A 37 6.513 -15.148 -6.050 1.00 0.00 N ATOM 297 CA ASN A 37 6.436 -15.729 -7.380 1.00 0.00 C ATOM 298 C ASN A 37 5.839 -17.135 -7.284 1.00 0.00 C ATOM 299 O ASN A 37 6.076 -17.974 -8.151 1.00 0.00 O ATOM 300 CB ASN A 37 7.825 -15.847 -8.010 1.00 0.00 C ATOM 301 CG ASN A 37 7.900 -15.064 -9.322 1.00 0.00 C ATOM 302 OD1 ASN A 37 8.163 -13.874 -9.351 1.00 0.00 O ATOM 303 ND2 ASN A 37 7.655 -15.798 -10.405 1.00 0.00 N ATOM 0 H ASN A 37 7.185 -15.595 -5.427 1.00 0.00 H new ATOM 0 HA ASN A 37 5.814 -15.080 -7.996 1.00 0.00 H new ATOM 0 HB2 ASN A 37 8.576 -15.472 -7.315 1.00 0.00 H new ATOM 0 HB3 ASN A 37 8.057 -16.896 -8.195 1.00 0.00 H new ATOM 0 HD21 ASN A 37 7.681 -15.368 -11.329 1.00 0.00 H new ATOM 0 HD22 ASN A 37 7.441 -16.791 -10.311 1.00 0.00 H new ATOM 304 N LYS A 38 5.075 -17.348 -6.222 1.00 0.00 N ATOM 305 CA LYS A 38 4.442 -18.637 -6.002 1.00 0.00 C ATOM 306 C LYS A 38 3.086 -18.426 -5.326 1.00 0.00 C ATOM 307 O LYS A 38 2.912 -17.482 -4.556 1.00 0.00 O ATOM 308 CB LYS A 38 5.377 -19.567 -5.227 1.00 0.00 C ATOM 309 CG LYS A 38 5.460 -19.160 -3.755 1.00 0.00 C ATOM 310 CD LYS A 38 6.189 -20.222 -2.931 1.00 0.00 C ATOM 311 CE LYS A 38 5.195 -21.140 -2.216 1.00 0.00 C ATOM 312 NZ LYS A 38 5.479 -22.558 -2.533 1.00 0.00 N ATOM 0 H LYS A 38 4.880 -16.649 -5.505 1.00 0.00 H new ATOM 0 HA LYS A 38 4.250 -19.135 -6.953 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.020 -20.594 -5.304 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.372 -19.541 -5.672 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.980 -18.206 -3.667 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.456 -19.013 -3.358 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.833 -20.814 -3.582 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.835 -19.739 -2.198 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.255 -20.983 -1.139 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.178 -20.890 -2.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.796 -23.168 -2.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.399 -22.707 -3.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.443 -22.797 -2.223 1.00 0.00 H new ATOM 313 N GLU A 39 2.159 -19.319 -5.640 1.00 0.00 N ATOM 314 CA GLU A 39 0.824 -19.243 -5.071 1.00 0.00 C ATOM 315 C GLU A 39 0.281 -17.817 -5.184 1.00 0.00 C ATOM 316 O GLU A 39 0.231 -17.088 -4.193 1.00 0.00 O ATOM 317 CB GLU A 39 0.818 -19.719 -3.618 1.00 0.00 C ATOM 318 CG GLU A 39 -0.606 -20.027 -3.147 1.00 0.00 C ATOM 319 CD GLU A 39 -0.913 -21.521 -3.267 1.00 0.00 C ATOM 320 OE1 GLU A 39 -1.272 -21.938 -4.389 1.00 0.00 O ATOM 321 OE2 GLU A 39 -0.780 -22.211 -2.233 1.00 0.00 O ATOM 0 H GLU A 39 2.306 -20.099 -6.281 1.00 0.00 H new ATOM 0 HA GLU A 39 0.170 -19.907 -5.637 1.00 0.00 H new ATOM 0 HB2 GLU A 39 1.438 -20.611 -3.521 1.00 0.00 H new ATOM 0 HB3 GLU A 39 1.259 -18.954 -2.979 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -0.727 -19.710 -2.111 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.320 -19.457 -3.741 1.00 0.00 H new ATOM 322 N ILE A 40 -0.113 -17.462 -6.398 1.00 0.00 N ATOM 323 CA ILE A 40 -0.650 -16.135 -6.652 1.00 0.00 C ATOM 324 C ILE A 40 -2.177 -16.183 -6.559 1.00 0.00 C ATOM 325 O ILE A 40 -2.768 -17.261 -6.538 1.00 0.00 O ATOM 326 CB ILE A 40 -0.131 -15.593 -7.985 1.00 0.00 C ATOM 327 CG1 ILE A 40 0.134 -14.088 -7.899 1.00 0.00 C ATOM 328 CG2 ILE A 40 -1.086 -15.943 -9.128 1.00 0.00 C ATOM 329 CD1 ILE A 40 1.237 -13.784 -6.883 1.00 0.00 C ATOM 0 H ILE A 40 -0.071 -18.069 -7.216 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.305 -15.432 -5.894 1.00 0.00 H new ATOM 0 HB ILE A 40 0.822 -16.076 -8.203 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.423 -13.709 -8.879 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.781 -13.569 -7.614 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.694 -15.546 -10.064 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -1.181 -17.026 -9.204 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -2.065 -15.506 -8.931 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.406 -12.708 -6.841 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.934 -14.143 -5.899 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.157 -14.284 -7.184 1.00 0.00 H new ATOM 330 N ASP A 41 -2.772 -15.000 -6.507 1.00 0.00 N ATOM 331 CA ASP A 41 -4.218 -14.892 -6.417 1.00 0.00 C ATOM 332 C ASP A 41 -4.703 -13.787 -7.358 1.00 0.00 C ATOM 333 O ASP A 41 -5.682 -13.103 -7.065 1.00 0.00 O ATOM 334 CB ASP A 41 -4.657 -14.530 -4.997 1.00 0.00 C ATOM 335 CG ASP A 41 -6.112 -14.863 -4.665 1.00 0.00 C ATOM 336 OD1 ASP A 41 -6.344 -16.005 -4.213 1.00 0.00 O ATOM 337 OD2 ASP A 41 -6.960 -13.969 -4.871 1.00 0.00 O ATOM 0 H ASP A 41 -2.278 -14.108 -6.526 1.00 0.00 H new ATOM 0 HA ASP A 41 -4.645 -15.857 -6.691 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.011 -15.050 -4.290 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -4.501 -13.462 -4.846 1.00 0.00 H new ATOM 338 N HIS A 42 -3.993 -13.646 -8.468 1.00 0.00 N ATOM 339 CA HIS A 42 -4.338 -12.636 -9.454 1.00 0.00 C ATOM 340 C HIS A 42 -3.809 -11.274 -9.000 1.00 0.00 C ATOM 341 O HIS A 42 -3.456 -11.099 -7.835 1.00 0.00 O ATOM 342 CB HIS A 42 -5.845 -12.628 -9.718 1.00 0.00 C ATOM 343 CG HIS A 42 -6.441 -14.001 -9.917 1.00 0.00 C ATOM 344 ND1 HIS A 42 -6.827 -14.945 -9.011 1.00 0.00 N flip ATOM 345 CD2 HIS A 42 -6.698 -14.533 -11.168 1.00 0.00 C flip ATOM 346 CE1 HIS A 42 -7.295 -15.995 -9.671 1.00 0.00 C flip ATOM 347 NE2 HIS A 42 -7.216 -15.743 -11.010 1.00 0.00 N flip ATOM 0 H HIS A 42 -3.180 -14.215 -8.706 1.00 0.00 H new ATOM 0 HA HIS A 42 -3.862 -12.873 -10.405 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -6.347 -12.143 -8.881 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -6.045 -12.024 -10.603 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -6.509 -14.045 -12.113 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -7.676 -16.901 -9.223 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -7.505 -16.374 -11.757 1.00 0.00 H new ATOM 348 N PHE A 43 -3.771 -10.345 -9.944 1.00 0.00 N ATOM 349 CA PHE A 43 -3.291 -9.005 -9.655 1.00 0.00 C ATOM 350 C PHE A 43 -4.064 -8.384 -8.489 1.00 0.00 C ATOM 351 O PHE A 43 -5.252 -8.093 -8.612 1.00 0.00 O ATOM 352 CB PHE A 43 -3.528 -8.165 -10.912 1.00 0.00 C ATOM 353 CG PHE A 43 -4.977 -7.710 -11.092 1.00 0.00 C ATOM 354 CD1 PHE A 43 -5.870 -8.518 -11.723 1.00 0.00 C ATOM 355 CD2 PHE A 43 -5.372 -6.496 -10.623 1.00 0.00 C ATOM 356 CE1 PHE A 43 -7.215 -8.095 -11.892 1.00 0.00 C ATOM 357 CE2 PHE A 43 -6.717 -6.073 -10.791 1.00 0.00 C ATOM 358 CZ PHE A 43 -7.611 -6.882 -11.422 1.00 0.00 C ATOM 0 H PHE A 43 -4.065 -10.494 -10.909 1.00 0.00 H new ATOM 0 HA PHE A 43 -2.237 -9.039 -9.380 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -2.884 -7.286 -10.876 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -3.229 -8.744 -11.785 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -5.556 -9.482 -12.096 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -4.662 -5.854 -10.123 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -7.924 -8.737 -12.394 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -7.031 -5.109 -10.418 1.00 0.00 H new ATOM 0 HZ PHE A 43 -8.634 -6.561 -11.549 1.00 0.00 H new ATOM 359 N ARG A 44 -3.357 -8.201 -7.383 1.00 0.00 N ATOM 360 CA ARG A 44 -3.961 -7.621 -6.197 1.00 0.00 C ATOM 361 C ARG A 44 -3.805 -6.099 -6.210 1.00 0.00 C ATOM 362 O ARG A 44 -3.297 -5.532 -7.177 1.00 0.00 O ATOM 363 CB ARG A 44 -3.323 -8.180 -4.924 1.00 0.00 C ATOM 364 CG ARG A 44 -3.379 -9.709 -4.908 1.00 0.00 C ATOM 365 CD ARG A 44 -2.509 -10.278 -3.785 1.00 0.00 C ATOM 366 NE ARG A 44 -1.915 -11.566 -4.209 1.00 0.00 N ATOM 367 CZ ARG A 44 -1.472 -12.503 -3.361 1.00 0.00 C ATOM 0 H ARG A 44 -2.371 -8.445 -7.284 1.00 0.00 H new ATOM 0 HA ARG A 44 -5.019 -7.881 -6.205 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.286 -7.850 -4.857 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -3.840 -7.784 -4.050 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -4.410 -10.037 -4.776 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -3.041 -10.099 -5.868 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.720 -9.570 -3.531 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -3.109 -10.423 -2.887 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.838 -11.751 -5.209 1.00 0.00 H new ATOM 368 N LEU A 45 -4.252 -5.480 -5.127 1.00 0.00 N ATOM 369 CA LEU A 45 -4.168 -4.035 -5.004 1.00 0.00 C ATOM 370 C LEU A 45 -4.210 -3.651 -3.524 1.00 0.00 C ATOM 371 O LEU A 45 -5.227 -3.841 -2.858 1.00 0.00 O ATOM 372 CB LEU A 45 -5.253 -3.361 -5.845 1.00 0.00 C ATOM 373 CG LEU A 45 -4.763 -2.536 -7.038 1.00 0.00 C ATOM 374 CD1 LEU A 45 -5.778 -2.571 -8.182 1.00 0.00 C ATOM 375 CD2 LEU A 45 -4.426 -1.105 -6.614 1.00 0.00 C ATOM 0 H LEU A 45 -4.673 -5.953 -4.327 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.220 -3.673 -5.401 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.929 -4.132 -6.215 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.837 -2.710 -5.194 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.843 -2.986 -7.410 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.406 -1.977 -9.017 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.925 -3.601 -8.506 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.727 -2.160 -7.839 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.080 -0.541 -7.480 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.316 -0.629 -6.202 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.642 -1.125 -5.857 1.00 0.00 H new ATOM 376 N GLY A 46 -3.093 -3.118 -3.051 1.00 0.00 N ATOM 377 CA GLY A 46 -2.990 -2.705 -1.661 1.00 0.00 C ATOM 378 C GLY A 46 -3.516 -1.281 -1.472 1.00 0.00 C ATOM 379 O GLY A 46 -4.465 -1.061 -0.720 1.00 0.00 O ATOM 0 H GLY A 46 -2.251 -2.962 -3.605 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.555 -3.392 -1.031 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.950 -2.758 -1.338 1.00 0.00 H new ATOM 380 N ILE A 47 -2.876 -0.351 -2.165 1.00 0.00 N ATOM 381 CA ILE A 47 -3.268 1.046 -2.082 1.00 0.00 C ATOM 382 C ILE A 47 -2.895 1.595 -0.704 1.00 0.00 C ATOM 383 O ILE A 47 -3.510 1.234 0.299 1.00 0.00 O ATOM 384 CB ILE A 47 -4.750 1.209 -2.429 1.00 0.00 C ATOM 385 CG1 ILE A 47 -5.083 0.515 -3.751 1.00 0.00 C ATOM 386 CG2 ILE A 47 -5.152 2.685 -2.438 1.00 0.00 C ATOM 387 CD1 ILE A 47 -6.533 0.783 -4.160 1.00 0.00 C ATOM 0 H ILE A 47 -2.089 -0.537 -2.786 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.725 1.638 -2.819 1.00 0.00 H new ATOM 0 HB ILE A 47 -5.339 0.721 -1.652 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -4.410 0.869 -4.532 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -4.921 -0.558 -3.653 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.209 2.773 -2.687 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -4.975 3.116 -1.453 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -4.559 3.219 -3.180 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -6.744 0.279 -5.103 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -7.204 0.406 -3.388 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -6.685 1.856 -4.280 1.00 0.00 H new ATOM 388 N SER A 48 -1.890 2.459 -0.698 1.00 0.00 N ATOM 389 CA SER A 48 -1.427 3.060 0.541 1.00 0.00 C ATOM 390 C SER A 48 -1.109 4.540 0.317 1.00 0.00 C ATOM 391 O SER A 48 -0.907 4.970 -0.818 1.00 0.00 O ATOM 392 CB SER A 48 -0.198 2.329 1.084 1.00 0.00 C ATOM 393 OG SER A 48 -0.550 1.132 1.772 1.00 0.00 O ATOM 0 H SER A 48 -1.384 2.757 -1.532 1.00 0.00 H new ATOM 0 HA SER A 48 -2.223 2.973 1.281 1.00 0.00 H new ATOM 0 HB2 SER A 48 0.475 2.089 0.260 1.00 0.00 H new ATOM 0 HB3 SER A 48 0.347 2.988 1.759 1.00 0.00 H new ATOM 0 HG SER A 48 -0.642 0.399 1.128 1.00 0.00 H new ATOM 394 N VAL A 49 -1.074 5.278 1.416 1.00 0.00 N ATOM 395 CA VAL A 49 -0.785 6.701 1.353 1.00 0.00 C ATOM 396 C VAL A 49 -0.099 7.135 2.651 1.00 0.00 C ATOM 397 O VAL A 49 -0.089 6.391 3.631 1.00 0.00 O ATOM 398 CB VAL A 49 -2.067 7.484 1.064 1.00 0.00 C ATOM 399 CG1 VAL A 49 -1.823 8.992 1.167 1.00 0.00 C ATOM 400 CG2 VAL A 49 -2.639 7.114 -0.305 1.00 0.00 C ATOM 0 H VAL A 49 -1.241 4.918 2.356 1.00 0.00 H new ATOM 0 HA VAL A 49 -0.098 6.915 0.534 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.804 7.211 1.819 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -2.750 9.526 0.957 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.483 9.238 2.173 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.062 9.288 0.444 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -3.550 7.685 -0.485 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.907 7.344 -1.079 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -2.868 6.049 -0.328 1.00 0.00 H new ATOM 401 N SER A 50 0.459 8.336 2.615 1.00 0.00 N ATOM 402 CA SER A 50 1.146 8.877 3.775 1.00 0.00 C ATOM 403 C SER A 50 0.190 9.754 4.586 1.00 0.00 C ATOM 404 O SER A 50 -0.875 10.133 4.101 1.00 0.00 O ATOM 405 CB SER A 50 2.380 9.680 3.360 1.00 0.00 C ATOM 406 OG SER A 50 3.355 9.736 4.399 1.00 0.00 O ATOM 0 H SER A 50 0.449 8.950 1.800 1.00 0.00 H new ATOM 0 HA SER A 50 1.480 8.044 4.394 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.823 9.231 2.471 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.080 10.692 3.090 1.00 0.00 H new ATOM 0 HG SER A 50 3.758 8.851 4.518 1.00 0.00 H new ATOM 407 N LYS A 51 0.605 10.053 5.809 1.00 0.00 N ATOM 408 CA LYS A 51 -0.200 10.879 6.691 1.00 0.00 C ATOM 409 C LYS A 51 0.390 12.290 6.743 1.00 0.00 C ATOM 410 O LYS A 51 -0.104 13.148 7.473 1.00 0.00 O ATOM 411 CB LYS A 51 -0.337 10.220 8.066 1.00 0.00 C ATOM 412 CG LYS A 51 -1.321 9.049 8.015 1.00 0.00 C ATOM 413 CD LYS A 51 -0.803 7.863 8.831 1.00 0.00 C ATOM 414 CE LYS A 51 -1.547 6.578 8.463 1.00 0.00 C ATOM 415 NZ LYS A 51 -0.981 5.987 7.231 1.00 0.00 N ATOM 0 H LYS A 51 1.489 9.737 6.209 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.215 10.971 6.304 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.638 9.867 8.403 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.679 10.956 8.794 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -2.290 9.366 8.402 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.475 8.744 6.980 1.00 0.00 H new ATOM 0 HD2 LYS A 51 0.265 7.733 8.653 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -0.926 8.067 9.895 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.477 5.863 9.282 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.606 6.793 8.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -1.497 5.116 6.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -1.071 6.665 6.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 0.023 5.764 7.383 1.00 0.00 H new ATOM 416 N LYS A 52 1.440 12.487 5.959 1.00 0.00 N ATOM 417 CA LYS A 52 2.103 13.779 5.905 1.00 0.00 C ATOM 418 C LYS A 52 1.842 14.426 4.543 1.00 0.00 C ATOM 419 O LYS A 52 2.072 15.621 4.366 1.00 0.00 O ATOM 420 CB LYS A 52 3.588 13.632 6.242 1.00 0.00 C ATOM 421 CG LYS A 52 3.863 14.026 7.695 1.00 0.00 C ATOM 422 CD LYS A 52 4.558 12.890 8.448 1.00 0.00 C ATOM 423 CE LYS A 52 4.982 13.339 9.848 1.00 0.00 C ATOM 424 NZ LYS A 52 5.017 12.186 10.775 1.00 0.00 N ATOM 0 H LYS A 52 1.848 11.773 5.356 1.00 0.00 H new ATOM 0 HA LYS A 52 1.693 14.450 6.660 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.902 12.602 6.075 1.00 0.00 H new ATOM 0 HB3 LYS A 52 4.180 14.258 5.574 1.00 0.00 H new ATOM 0 HG2 LYS A 52 4.486 14.920 7.722 1.00 0.00 H new ATOM 0 HG3 LYS A 52 2.926 14.276 8.192 1.00 0.00 H new ATOM 0 HD2 LYS A 52 3.886 12.035 8.524 1.00 0.00 H new ATOM 0 HD3 LYS A 52 5.433 12.559 7.888 1.00 0.00 H new ATOM 0 HE2 LYS A 52 5.965 13.807 9.804 1.00 0.00 H new ATOM 0 HE3 LYS A 52 4.287 14.092 10.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 5.307 12.509 11.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 4.071 11.756 10.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 5.698 11.481 10.427 1.00 0.00 H new ATOM 425 N LEU A 53 1.365 13.607 3.617 1.00 0.00 N ATOM 426 CA LEU A 53 1.069 14.085 2.277 1.00 0.00 C ATOM 427 C LEU A 53 0.496 15.501 2.360 1.00 0.00 C ATOM 428 O LEU A 53 1.171 16.469 2.015 1.00 0.00 O ATOM 429 CB LEU A 53 0.162 13.095 1.544 1.00 0.00 C ATOM 430 CG LEU A 53 0.615 12.684 0.141 1.00 0.00 C ATOM 431 CD1 LEU A 53 0.738 11.163 0.029 1.00 0.00 C ATOM 432 CD2 LEU A 53 -0.315 13.263 -0.927 1.00 0.00 C ATOM 0 H LEU A 53 1.176 12.616 3.768 1.00 0.00 H new ATOM 0 HA LEU A 53 1.981 14.145 1.683 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.071 12.196 2.153 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.834 13.531 1.470 1.00 0.00 H new ATOM 0 HG LEU A 53 1.606 13.102 -0.034 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.061 10.897 -0.977 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.470 10.803 0.752 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.229 10.704 0.232 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.029 12.956 -1.915 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.328 12.895 -0.765 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.310 14.351 -0.863 1.00 0.00 H new ATOM 433 N GLY A 54 -0.745 15.576 2.819 1.00 0.00 N ATOM 434 CA GLY A 54 -1.417 16.857 2.952 1.00 0.00 C ATOM 435 C GLY A 54 -2.909 16.667 3.237 1.00 0.00 C ATOM 436 O GLY A 54 -3.285 16.206 4.314 1.00 0.00 O ATOM 0 H GLY A 54 -1.302 14.770 3.103 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.959 17.430 3.758 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -1.289 17.436 2.037 1.00 0.00 H new ATOM 437 N ASN A 55 -3.718 17.032 2.253 1.00 0.00 N ATOM 438 CA ASN A 55 -5.159 16.907 2.384 1.00 0.00 C ATOM 439 C ASN A 55 -5.622 15.631 1.679 1.00 0.00 C ATOM 440 O ASN A 55 -4.817 14.922 1.078 1.00 0.00 O ATOM 441 CB ASN A 55 -5.876 18.093 1.734 1.00 0.00 C ATOM 442 CG ASN A 55 -7.009 18.605 2.627 1.00 0.00 C ATOM 443 OD1 ASN A 55 -8.216 18.181 2.266 1.00 0.00 O flip ATOM 444 ND2 ASN A 55 -6.800 19.335 3.582 1.00 0.00 N flip ATOM 0 H ASN A 55 -3.402 17.414 1.362 1.00 0.00 H new ATOM 0 HA ASN A 55 -5.400 16.878 3.447 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -5.163 18.896 1.548 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -6.278 17.794 0.766 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -5.847 19.624 3.804 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -7.578 19.657 4.158 1.00 0.00 H new ATOM 445 N ALA A 56 -6.919 15.377 1.775 1.00 0.00 N ATOM 446 CA ALA A 56 -7.500 14.199 1.154 1.00 0.00 C ATOM 447 C ALA A 56 -7.423 14.340 -0.368 1.00 0.00 C ATOM 448 O ALA A 56 -7.409 13.341 -1.087 1.00 0.00 O ATOM 449 CB ALA A 56 -8.934 14.015 1.651 1.00 0.00 C ATOM 0 H ALA A 56 -7.584 15.968 2.274 1.00 0.00 H new ATOM 0 HA ALA A 56 -6.942 13.304 1.431 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -9.370 13.131 1.185 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -8.931 13.890 2.734 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -9.525 14.892 1.389 1.00 0.00 H new ATOM 450 N VAL A 57 -7.375 15.586 -0.813 1.00 0.00 N ATOM 451 CA VAL A 57 -7.299 15.871 -2.236 1.00 0.00 C ATOM 452 C VAL A 57 -6.164 15.053 -2.855 1.00 0.00 C ATOM 453 O VAL A 57 -6.309 14.515 -3.952 1.00 0.00 O ATOM 454 CB VAL A 57 -7.144 17.376 -2.461 1.00 0.00 C ATOM 455 CG1 VAL A 57 -5.716 17.831 -2.154 1.00 0.00 C ATOM 456 CG2 VAL A 57 -7.549 17.762 -3.885 1.00 0.00 C ATOM 0 H VAL A 57 -7.387 16.411 -0.213 1.00 0.00 H new ATOM 0 HA VAL A 57 -8.222 15.576 -2.735 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.815 17.889 -1.772 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -5.632 18.905 -2.322 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -5.478 17.607 -1.114 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -5.019 17.306 -2.807 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -7.429 18.837 -4.018 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -6.916 17.235 -4.599 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -8.591 17.489 -4.054 1.00 0.00 H new ATOM 457 N LEU A 58 -5.061 14.984 -2.126 1.00 0.00 N ATOM 458 CA LEU A 58 -3.902 14.241 -2.590 1.00 0.00 C ATOM 459 C LEU A 58 -4.188 12.741 -2.487 1.00 0.00 C ATOM 460 O LEU A 58 -3.884 11.983 -3.407 1.00 0.00 O ATOM 461 CB LEU A 58 -2.645 14.681 -1.835 1.00 0.00 C ATOM 462 CG LEU A 58 -2.507 16.184 -1.584 1.00 0.00 C ATOM 463 CD1 LEU A 58 -1.954 16.456 -0.183 1.00 0.00 C ATOM 464 CD2 LEU A 58 -1.658 16.845 -2.673 1.00 0.00 C ATOM 0 H LEU A 58 -4.945 15.431 -1.216 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.707 14.457 -3.640 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.624 14.168 -0.873 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.772 14.344 -2.394 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.499 16.632 -1.632 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.865 17.531 -0.029 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.630 16.037 0.563 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.972 15.993 -0.083 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.575 17.913 -2.472 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.664 16.399 -2.680 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.130 16.694 -3.644 1.00 0.00 H new ATOM 465 N ARG A 59 -4.768 12.359 -1.359 1.00 0.00 N ATOM 466 CA ARG A 59 -5.099 10.964 -1.123 1.00 0.00 C ATOM 467 C ARG A 59 -6.193 10.506 -2.090 1.00 0.00 C ATOM 468 O ARG A 59 -6.491 9.316 -2.179 1.00 0.00 O ATOM 469 CB ARG A 59 -5.574 10.745 0.315 1.00 0.00 C ATOM 470 CG ARG A 59 -5.597 9.256 0.665 1.00 0.00 C ATOM 471 CD ARG A 59 -6.273 9.021 2.017 1.00 0.00 C ATOM 472 NE ARG A 59 -5.249 8.866 3.074 1.00 0.00 N ATOM 473 CZ ARG A 59 -4.625 7.713 3.353 1.00 0.00 C ATOM 0 H ARG A 59 -5.017 12.991 -0.598 1.00 0.00 H new ATOM 0 HA ARG A 59 -4.195 10.377 -1.288 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -4.915 11.274 1.004 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -6.571 11.167 0.440 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -6.127 8.704 -0.111 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -4.578 8.869 0.692 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -6.930 9.858 2.255 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -6.898 8.129 1.971 1.00 0.00 H new ATOM 0 HE ARG A 59 -5.003 9.688 3.625 1.00 0.00 H new ATOM 474 N ASN A 60 -6.763 11.476 -2.790 1.00 0.00 N ATOM 475 CA ASN A 60 -7.817 11.189 -3.747 1.00 0.00 C ATOM 476 C ASN A 60 -7.216 11.098 -5.150 1.00 0.00 C ATOM 477 O ASN A 60 -7.669 10.303 -5.973 1.00 0.00 O ATOM 478 CB ASN A 60 -8.871 12.299 -3.755 1.00 0.00 C ATOM 479 CG ASN A 60 -10.189 11.808 -3.154 1.00 0.00 C ATOM 480 OD1 ASN A 60 -10.657 10.714 -3.425 1.00 0.00 O ATOM 481 ND2 ASN A 60 -10.760 12.676 -2.323 1.00 0.00 N ATOM 0 H ASN A 60 -6.514 12.462 -2.713 1.00 0.00 H new ATOM 0 HA ASN A 60 -8.286 10.248 -3.459 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -8.506 13.156 -3.189 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -9.038 12.640 -4.777 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -11.643 12.442 -1.869 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -10.315 13.575 -2.140 1.00 0.00 H new ATOM 482 N LYS A 61 -6.204 11.921 -5.382 1.00 0.00 N ATOM 483 CA LYS A 61 -5.536 11.943 -6.672 1.00 0.00 C ATOM 484 C LYS A 61 -4.606 10.734 -6.779 1.00 0.00 C ATOM 485 O LYS A 61 -4.471 10.143 -7.850 1.00 0.00 O ATOM 486 CB LYS A 61 -4.830 13.283 -6.886 1.00 0.00 C ATOM 487 CG LYS A 61 -5.460 14.055 -8.046 1.00 0.00 C ATOM 488 CD LYS A 61 -4.543 15.188 -8.515 1.00 0.00 C ATOM 489 CE LYS A 61 -5.164 15.947 -9.688 1.00 0.00 C ATOM 490 NZ LYS A 61 -6.210 16.877 -9.207 1.00 0.00 N ATOM 0 H LYS A 61 -5.830 12.578 -4.697 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.263 11.859 -7.480 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -4.888 13.878 -5.975 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -3.773 13.113 -7.089 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.657 13.375 -8.875 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.421 14.465 -7.735 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -4.358 15.876 -7.690 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -3.577 14.779 -8.812 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -4.391 16.503 -10.219 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -5.595 15.241 -10.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -6.622 17.385 -10.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -6.955 16.339 -8.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -5.789 17.561 -8.547 1.00 0.00 H new ATOM 491 N ILE A 62 -3.988 10.400 -5.656 1.00 0.00 N ATOM 492 CA ILE A 62 -3.073 9.272 -5.611 1.00 0.00 C ATOM 493 C ILE A 62 -3.872 7.970 -5.695 1.00 0.00 C ATOM 494 O ILE A 62 -3.361 6.951 -6.155 1.00 0.00 O ATOM 495 CB ILE A 62 -2.173 9.361 -4.378 1.00 0.00 C ATOM 496 CG1 ILE A 62 -1.334 10.640 -4.404 1.00 0.00 C ATOM 497 CG2 ILE A 62 -1.303 8.109 -4.242 1.00 0.00 C ATOM 498 CD1 ILE A 62 -0.557 10.813 -3.097 1.00 0.00 C ATOM 0 H ILE A 62 -4.103 10.891 -4.769 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.402 9.292 -6.470 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.809 9.409 -3.494 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.639 10.606 -5.243 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.983 11.502 -4.562 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.673 8.198 -3.357 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -1.942 7.231 -4.146 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.674 8.005 -5.126 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.031 11.730 -3.142 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.256 10.871 -2.263 1.00 0.00 H new ATOM 0 HD13 ILE A 62 0.109 9.962 -2.954 1.00 0.00 H new ATOM 499 N LYS A 63 -5.116 8.047 -5.244 1.00 0.00 N ATOM 500 CA LYS A 63 -5.992 6.887 -5.262 1.00 0.00 C ATOM 501 C LYS A 63 -6.877 6.941 -6.510 1.00 0.00 C ATOM 502 O LYS A 63 -7.447 5.930 -6.914 1.00 0.00 O ATOM 503 CB LYS A 63 -6.779 6.789 -3.954 1.00 0.00 C ATOM 504 CG LYS A 63 -5.839 6.795 -2.747 1.00 0.00 C ATOM 505 CD LYS A 63 -4.946 5.553 -2.740 1.00 0.00 C ATOM 506 CE LYS A 63 -3.499 5.915 -3.081 1.00 0.00 C ATOM 507 NZ LYS A 63 -2.578 4.847 -2.634 1.00 0.00 N ATOM 0 H LYS A 63 -5.538 8.894 -4.864 1.00 0.00 H new ATOM 0 HA LYS A 63 -5.407 5.969 -5.324 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.476 7.624 -3.881 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.374 5.876 -3.951 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.220 7.692 -2.768 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.423 6.832 -1.827 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.984 5.079 -1.759 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.322 4.826 -3.460 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.399 6.063 -4.156 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.232 6.857 -2.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -1.766 5.272 -2.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.078 4.206 -1.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.242 4.311 -3.459 1.00 0.00 H new ATOM 508 N ARG A 64 -6.963 8.133 -7.083 1.00 0.00 N ATOM 509 CA ARG A 64 -7.768 8.332 -8.276 1.00 0.00 C ATOM 510 C ARG A 64 -6.989 7.902 -9.520 1.00 0.00 C ATOM 511 O ARG A 64 -7.352 6.930 -10.180 1.00 0.00 O ATOM 512 CB ARG A 64 -8.183 9.797 -8.422 1.00 0.00 C ATOM 513 CG ARG A 64 -8.572 10.116 -9.867 1.00 0.00 C ATOM 514 CD ARG A 64 -9.774 11.060 -9.917 1.00 0.00 C ATOM 515 NE ARG A 64 -9.971 11.558 -11.296 1.00 0.00 N ATOM 516 CZ ARG A 64 -11.094 12.144 -11.730 1.00 0.00 C ATOM 0 H ARG A 64 -6.489 8.970 -6.743 1.00 0.00 H new ATOM 0 HA ARG A 64 -8.665 7.721 -8.177 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -9.023 10.008 -7.761 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.362 10.444 -8.111 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.726 10.571 -10.383 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -8.808 9.193 -10.396 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -10.670 10.539 -9.578 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -9.617 11.898 -9.238 1.00 0.00 H new ATOM 0 HE ARG A 64 -9.203 11.448 -11.958 1.00 0.00 H new ATOM 517 N ALA A 65 -5.932 8.650 -9.805 1.00 0.00 N ATOM 518 CA ALA A 65 -5.098 8.359 -10.959 1.00 0.00 C ATOM 519 C ALA A 65 -4.774 6.864 -10.984 1.00 0.00 C ATOM 520 O ALA A 65 -4.790 6.239 -12.044 1.00 0.00 O ATOM 521 CB ALA A 65 -3.840 9.228 -10.912 1.00 0.00 C ATOM 0 H ALA A 65 -5.635 9.457 -9.256 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.624 8.598 -11.883 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.214 9.010 -11.778 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -4.124 10.280 -10.926 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.284 9.014 -9.999 1.00 0.00 H new ATOM 522 N ILE A 66 -4.487 6.334 -9.805 1.00 0.00 N ATOM 523 CA ILE A 66 -4.159 4.923 -9.678 1.00 0.00 C ATOM 524 C ILE A 66 -5.397 4.085 -10.003 1.00 0.00 C ATOM 525 O ILE A 66 -5.283 2.989 -10.550 1.00 0.00 O ATOM 526 CB ILE A 66 -3.565 4.633 -8.299 1.00 0.00 C ATOM 527 CG1 ILE A 66 -2.611 3.438 -8.352 1.00 0.00 C ATOM 528 CG2 ILE A 66 -4.669 4.440 -7.256 1.00 0.00 C ATOM 529 CD1 ILE A 66 -1.502 3.668 -9.381 1.00 0.00 C ATOM 0 H ILE A 66 -4.474 6.855 -8.928 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.388 4.645 -10.396 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.979 5.499 -7.991 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.171 3.275 -7.368 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.167 2.535 -8.606 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -4.220 4.235 -6.284 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -5.272 5.346 -7.193 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -5.302 3.602 -7.547 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.838 2.804 -9.399 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.944 3.806 -10.368 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.933 4.558 -9.110 1.00 0.00 H new ATOM 530 N ARG A 67 -6.552 4.632 -9.654 1.00 0.00 N ATOM 531 CA ARG A 67 -7.809 3.948 -9.902 1.00 0.00 C ATOM 532 C ARG A 67 -8.245 4.149 -11.355 1.00 0.00 C ATOM 533 O ARG A 67 -9.268 3.615 -11.779 1.00 0.00 O ATOM 534 CB ARG A 67 -8.909 4.463 -8.971 1.00 0.00 C ATOM 535 CG ARG A 67 -9.073 3.546 -7.757 1.00 0.00 C ATOM 536 CD ARG A 67 -10.537 3.475 -7.317 1.00 0.00 C ATOM 537 NE ARG A 67 -10.661 3.886 -5.901 1.00 0.00 N ATOM 538 CZ ARG A 67 -11.826 3.985 -5.246 1.00 0.00 C ATOM 0 H ARG A 67 -6.643 5.541 -9.201 1.00 0.00 H new ATOM 0 HA ARG A 67 -7.653 2.887 -9.709 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -8.666 5.472 -8.639 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -9.852 4.524 -9.515 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -8.714 2.546 -8.001 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -8.460 3.913 -6.934 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -11.146 4.123 -7.947 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -10.915 2.460 -7.444 1.00 0.00 H new ATOM 0 HE ARG A 67 -9.806 4.108 -5.391 1.00 0.00 H new ATOM 539 N GLU A 68 -7.446 4.920 -12.077 1.00 0.00 N ATOM 540 CA GLU A 68 -7.736 5.197 -13.474 1.00 0.00 C ATOM 541 C GLU A 68 -6.741 4.468 -14.378 1.00 0.00 C ATOM 542 O GLU A 68 -6.980 4.317 -15.575 1.00 0.00 O ATOM 543 CB GLU A 68 -7.724 6.703 -13.747 1.00 0.00 C ATOM 544 CG GLU A 68 -7.567 6.988 -15.243 1.00 0.00 C ATOM 545 CD GLU A 68 -7.928 8.439 -15.565 1.00 0.00 C ATOM 546 OE1 GLU A 68 -7.334 9.328 -14.917 1.00 0.00 O ATOM 547 OE2 GLU A 68 -8.788 8.626 -16.453 1.00 0.00 O ATOM 0 H GLU A 68 -6.598 5.362 -11.721 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.737 4.828 -13.698 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -8.649 7.150 -13.383 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -6.907 7.170 -13.197 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -6.540 6.788 -15.549 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -8.206 6.315 -15.814 1.00 0.00 H new ATOM 548 N ASN A 69 -5.647 4.034 -13.770 1.00 0.00 N ATOM 549 CA ASN A 69 -4.615 3.323 -14.507 1.00 0.00 C ATOM 550 C ASN A 69 -4.761 1.820 -14.258 1.00 0.00 C ATOM 551 O ASN A 69 -4.379 1.008 -15.099 1.00 0.00 O ATOM 552 CB ASN A 69 -3.219 3.745 -14.044 1.00 0.00 C ATOM 553 CG ASN A 69 -2.135 2.984 -14.809 1.00 0.00 C ATOM 554 OD1 ASN A 69 -2.001 1.775 -14.711 1.00 0.00 O ATOM 555 ND2 ASN A 69 -1.368 3.757 -15.573 1.00 0.00 N ATOM 0 H ASN A 69 -5.452 4.160 -12.777 1.00 0.00 H new ATOM 0 HA ASN A 69 -4.732 3.559 -15.565 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -3.091 4.817 -14.194 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -3.114 3.558 -12.975 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -0.614 3.344 -16.122 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -1.534 4.763 -15.610 1.00 0.00 H new ATOM 556 N PHE A 70 -5.315 1.495 -13.099 1.00 0.00 N ATOM 557 CA PHE A 70 -5.515 0.105 -12.729 1.00 0.00 C ATOM 558 C PHE A 70 -6.740 -0.480 -13.437 1.00 0.00 C ATOM 559 O PHE A 70 -6.714 -1.624 -13.888 1.00 0.00 O ATOM 560 CB PHE A 70 -5.752 0.073 -11.218 1.00 0.00 C ATOM 561 CG PHE A 70 -4.503 -0.263 -10.400 1.00 0.00 C ATOM 562 CD1 PHE A 70 -3.754 -1.353 -10.718 1.00 0.00 C ATOM 563 CD2 PHE A 70 -4.143 0.527 -9.354 1.00 0.00 C ATOM 564 CE1 PHE A 70 -2.595 -1.664 -9.960 1.00 0.00 C ATOM 565 CE2 PHE A 70 -2.984 0.215 -8.594 1.00 0.00 C ATOM 566 CZ PHE A 70 -2.235 -0.874 -8.913 1.00 0.00 C ATOM 0 H PHE A 70 -5.632 2.171 -12.404 1.00 0.00 H new ATOM 0 HA PHE A 70 -4.645 -0.485 -13.017 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -6.132 1.044 -10.899 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -6.527 -0.661 -10.997 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -4.041 -1.982 -11.548 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -4.738 1.392 -9.101 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -1.999 -2.528 -10.215 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -2.698 0.843 -7.763 1.00 0.00 H new ATOM 0 HZ PHE A 70 -1.354 -1.112 -8.335 1.00 0.00 H new ATOM 567 N LYS A 71 -7.784 0.333 -13.512 1.00 0.00 N ATOM 568 CA LYS A 71 -9.015 -0.089 -14.158 1.00 0.00 C ATOM 569 C LYS A 71 -8.761 -0.283 -15.654 1.00 0.00 C ATOM 570 O LYS A 71 -9.236 -1.250 -16.247 1.00 0.00 O ATOM 571 CB LYS A 71 -10.146 0.895 -13.850 1.00 0.00 C ATOM 572 CG LYS A 71 -10.074 2.118 -14.766 1.00 0.00 C ATOM 573 CD LYS A 71 -11.171 3.128 -14.421 1.00 0.00 C ATOM 574 CE LYS A 71 -12.240 3.170 -15.513 1.00 0.00 C ATOM 575 NZ LYS A 71 -13.507 3.716 -14.977 1.00 0.00 N ATOM 0 H LYS A 71 -7.802 1.281 -13.136 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.342 -1.051 -13.762 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -11.108 0.399 -13.975 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -10.084 1.212 -12.809 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -9.097 2.591 -14.671 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -10.177 1.805 -15.805 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -11.629 2.861 -13.469 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.733 4.118 -14.298 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -11.895 3.785 -16.344 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -12.407 2.167 -15.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -14.222 3.738 -15.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -13.843 3.114 -14.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -13.347 4.681 -14.624 1.00 0.00 H new ATOM 576 N VAL A 72 -8.011 0.651 -16.222 1.00 0.00 N ATOM 577 CA VAL A 72 -7.689 0.593 -17.637 1.00 0.00 C ATOM 578 C VAL A 72 -6.725 -0.568 -17.889 1.00 0.00 C ATOM 579 O VAL A 72 -6.970 -1.406 -18.756 1.00 0.00 O ATOM 580 CB VAL A 72 -7.135 1.942 -18.102 1.00 0.00 C ATOM 581 CG1 VAL A 72 -5.707 2.152 -17.594 1.00 0.00 C ATOM 582 CG2 VAL A 72 -7.199 2.064 -19.625 1.00 0.00 C ATOM 0 H VAL A 72 -7.618 1.452 -15.727 1.00 0.00 H new ATOM 0 HA VAL A 72 -8.586 0.404 -18.226 1.00 0.00 H new ATOM 0 HB VAL A 72 -7.760 2.727 -17.677 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -5.337 3.118 -17.938 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -5.701 2.129 -16.504 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -5.064 1.359 -17.977 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -6.800 3.031 -19.930 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -6.608 1.268 -20.079 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -8.235 1.979 -19.954 1.00 0.00 H new ATOM 583 N HIS A 73 -5.649 -0.581 -17.115 1.00 0.00 N ATOM 584 CA HIS A 73 -4.648 -1.626 -17.245 1.00 0.00 C ATOM 585 C HIS A 73 -5.075 -2.849 -16.431 1.00 0.00 C ATOM 586 O HIS A 73 -4.275 -3.755 -16.198 1.00 0.00 O ATOM 587 CB HIS A 73 -3.264 -1.104 -16.849 1.00 0.00 C ATOM 588 CG HIS A 73 -2.742 -0.007 -17.746 1.00 0.00 C ATOM 589 ND1 HIS A 73 -2.778 1.349 -17.608 1.00 0.00 N flip ATOM 590 CD2 HIS A 73 -2.096 -0.261 -18.943 1.00 0.00 C flip ATOM 591 CE1 HIS A 73 -2.185 1.894 -18.663 1.00 0.00 C flip ATOM 592 NE2 HIS A 73 -1.763 0.897 -19.492 1.00 0.00 N flip ATOM 0 H HIS A 73 -5.449 0.115 -16.397 1.00 0.00 H new ATOM 0 HA HIS A 73 -4.572 -1.935 -18.288 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -3.306 -0.733 -15.825 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -2.558 -1.934 -16.858 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -1.897 -1.238 -19.359 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -2.058 2.952 -18.836 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -1.276 1.021 -20.380 1.00 0.00 H new ATOM 593 N LYS A 74 -6.335 -2.837 -16.023 1.00 0.00 N ATOM 594 CA LYS A 74 -6.878 -3.935 -15.240 1.00 0.00 C ATOM 595 C LYS A 74 -6.597 -5.256 -15.958 1.00 0.00 C ATOM 596 O LYS A 74 -6.326 -6.270 -15.317 1.00 0.00 O ATOM 597 CB LYS A 74 -8.361 -3.699 -14.944 1.00 0.00 C ATOM 598 CG LYS A 74 -8.943 -4.847 -14.117 1.00 0.00 C ATOM 599 CD LYS A 74 -10.297 -4.460 -13.519 1.00 0.00 C ATOM 600 CE LYS A 74 -11.365 -4.345 -14.609 1.00 0.00 C ATOM 601 NZ LYS A 74 -12.569 -3.663 -14.086 1.00 0.00 N ATOM 0 H LYS A 74 -6.996 -2.085 -16.219 1.00 0.00 H new ATOM 0 HA LYS A 74 -6.387 -3.990 -14.268 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -8.483 -2.759 -14.405 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -8.912 -3.604 -15.880 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -9.058 -5.731 -14.745 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -8.251 -5.112 -13.318 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -10.601 -5.206 -12.784 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -10.207 -3.511 -12.991 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -10.967 -3.791 -15.459 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -11.631 -5.338 -14.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -13.283 -3.594 -14.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -12.957 -4.207 -13.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -12.314 -2.708 -13.762 1.00 0.00 H new ATOM 602 N SER A 75 -6.672 -5.201 -17.280 1.00 0.00 N ATOM 603 CA SER A 75 -6.428 -6.381 -18.093 1.00 0.00 C ATOM 604 C SER A 75 -5.027 -6.315 -18.706 1.00 0.00 C ATOM 605 O SER A 75 -4.728 -7.034 -19.658 1.00 0.00 O ATOM 606 CB SER A 75 -7.483 -6.519 -19.193 1.00 0.00 C ATOM 607 OG SER A 75 -8.394 -7.581 -18.927 1.00 0.00 O ATOM 0 H SER A 75 -6.898 -4.358 -17.808 1.00 0.00 H new ATOM 0 HA SER A 75 -6.495 -7.259 -17.450 1.00 0.00 H new ATOM 0 HB2 SER A 75 -8.034 -5.583 -19.286 1.00 0.00 H new ATOM 0 HB3 SER A 75 -6.990 -6.695 -20.149 1.00 0.00 H new ATOM 0 HG SER A 75 -9.053 -7.636 -19.651 1.00 0.00 H new ATOM 608 N HIS A 76 -4.207 -5.445 -18.135 1.00 0.00 N ATOM 609 CA HIS A 76 -2.845 -5.275 -18.613 1.00 0.00 C ATOM 610 C HIS A 76 -1.862 -5.587 -17.483 1.00 0.00 C ATOM 611 O HIS A 76 -0.654 -5.418 -17.643 1.00 0.00 O ATOM 612 CB HIS A 76 -2.647 -3.878 -19.204 1.00 0.00 C ATOM 613 CG HIS A 76 -3.769 -3.429 -20.109 1.00 0.00 C ATOM 614 ND1 HIS A 76 -5.119 -3.593 -20.005 1.00 0.00 N flip ATOM 615 CD2 HIS A 76 -3.550 -2.724 -21.280 1.00 0.00 C flip ATOM 616 CE1 HIS A 76 -5.695 -3.018 -21.053 1.00 0.00 C flip ATOM 617 NE2 HIS A 76 -4.724 -2.479 -21.845 1.00 0.00 N flip ATOM 0 H HIS A 76 -4.459 -4.850 -17.346 1.00 0.00 H new ATOM 0 HA HIS A 76 -2.649 -5.979 -19.422 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -2.542 -3.162 -18.389 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -1.713 -3.861 -19.765 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -2.587 -2.425 -21.667 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -6.757 -2.983 -21.247 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -4.875 -1.975 -22.719 1.00 0.00 H new ATOM 618 N ILE A 77 -2.416 -6.036 -16.367 1.00 0.00 N ATOM 619 CA ILE A 77 -1.603 -6.373 -15.211 1.00 0.00 C ATOM 620 C ILE A 77 -1.678 -7.881 -14.961 1.00 0.00 C ATOM 621 O ILE A 77 -2.640 -8.532 -15.364 1.00 0.00 O ATOM 622 CB ILE A 77 -2.013 -5.528 -14.003 1.00 0.00 C ATOM 623 CG1 ILE A 77 -1.309 -4.170 -14.019 1.00 0.00 C ATOM 624 CG2 ILE A 77 -1.770 -6.285 -12.696 1.00 0.00 C ATOM 625 CD1 ILE A 77 -2.072 -3.167 -14.886 1.00 0.00 C ATOM 0 H ILE A 77 -3.418 -6.174 -16.238 1.00 0.00 H new ATOM 0 HA ILE A 77 -0.556 -6.133 -15.399 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.084 -5.336 -14.069 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -1.226 -3.787 -13.002 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.294 -4.287 -14.399 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -2.070 -5.662 -11.853 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.355 -7.204 -12.694 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -0.711 -6.529 -12.608 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.550 -2.210 -14.880 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -2.132 -3.541 -15.908 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -3.078 -3.034 -14.489 1.00 0.00 H new ATOM 626 N LEU A 78 -0.651 -8.390 -14.297 1.00 0.00 N ATOM 627 CA LEU A 78 -0.589 -9.809 -13.989 1.00 0.00 C ATOM 628 C LEU A 78 -0.739 -10.005 -12.478 1.00 0.00 C ATOM 629 O LEU A 78 -0.822 -9.034 -11.728 1.00 0.00 O ATOM 630 CB LEU A 78 0.685 -10.427 -14.566 1.00 0.00 C ATOM 631 CG LEU A 78 1.760 -9.440 -15.028 1.00 0.00 C ATOM 632 CD1 LEU A 78 1.200 -8.467 -16.068 1.00 0.00 C ATOM 633 CD2 LEU A 78 2.383 -8.710 -13.837 1.00 0.00 C ATOM 0 H LEU A 78 0.145 -7.846 -13.964 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.415 -10.339 -14.463 1.00 0.00 H new ATOM 0 HB2 LEU A 78 1.121 -11.082 -13.812 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.409 -11.056 -15.413 1.00 0.00 H new ATOM 0 HG LEU A 78 2.557 -10.005 -15.511 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.984 -7.777 -16.380 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.843 -9.025 -16.933 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.374 -7.905 -15.633 1.00 0.00 H new ATOM 0 HD21 LEU A 78 3.143 -8.015 -14.193 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.609 -8.159 -13.303 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.841 -9.435 -13.165 1.00 0.00 H new ATOM 634 N ALA A 79 -0.767 -11.268 -12.079 1.00 0.00 N ATOM 635 CA ALA A 79 -0.905 -11.604 -10.672 1.00 0.00 C ATOM 636 C ALA A 79 0.447 -11.433 -9.977 1.00 0.00 C ATOM 637 O ALA A 79 1.466 -11.919 -10.465 1.00 0.00 O ATOM 638 CB ALA A 79 -1.454 -13.026 -10.538 1.00 0.00 C ATOM 0 H ALA A 79 -0.697 -12.070 -12.705 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.613 -10.934 -10.185 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.558 -13.278 -9.483 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -2.428 -13.087 -11.023 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -0.768 -13.727 -11.013 1.00 0.00 H new ATOM 639 N LYS A 80 0.412 -10.742 -8.847 1.00 0.00 N ATOM 640 CA LYS A 80 1.623 -10.500 -8.079 1.00 0.00 C ATOM 641 C LYS A 80 1.369 -9.374 -7.076 1.00 0.00 C ATOM 642 O LYS A 80 1.072 -8.246 -7.465 1.00 0.00 O ATOM 643 CB LYS A 80 2.806 -10.238 -9.013 1.00 0.00 C ATOM 644 CG LYS A 80 3.694 -11.479 -9.134 1.00 0.00 C ATOM 645 CD LYS A 80 4.297 -11.586 -10.537 1.00 0.00 C ATOM 646 CE LYS A 80 5.551 -10.719 -10.662 1.00 0.00 C ATOM 647 NZ LYS A 80 6.769 -11.541 -10.493 1.00 0.00 N ATOM 0 H LYS A 80 -0.435 -10.342 -8.444 1.00 0.00 H new ATOM 0 HA LYS A 80 1.892 -11.385 -7.503 1.00 0.00 H new ATOM 0 HB2 LYS A 80 2.439 -9.951 -9.999 1.00 0.00 H new ATOM 0 HB3 LYS A 80 3.394 -9.401 -8.636 1.00 0.00 H new ATOM 0 HG2 LYS A 80 4.492 -11.433 -8.393 1.00 0.00 H new ATOM 0 HG3 LYS A 80 3.109 -12.372 -8.917 1.00 0.00 H new ATOM 0 HD2 LYS A 80 4.546 -12.625 -10.751 1.00 0.00 H new ATOM 0 HD3 LYS A 80 3.560 -11.275 -11.278 1.00 0.00 H new ATOM 0 HE2 LYS A 80 5.567 -10.231 -11.637 1.00 0.00 H new ATOM 0 HE3 LYS A 80 5.531 -9.930 -9.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 7.526 -10.959 -10.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 6.563 -12.340 -9.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 7.075 -11.902 -11.419 1.00 0.00 H new ATOM 648 N ASP A 81 1.496 -9.719 -5.803 1.00 0.00 N ATOM 649 CA ASP A 81 1.284 -8.750 -4.741 1.00 0.00 C ATOM 650 C ASP A 81 1.775 -7.377 -5.203 1.00 0.00 C ATOM 651 O ASP A 81 2.964 -7.076 -5.111 1.00 0.00 O ATOM 652 CB ASP A 81 2.067 -9.133 -3.483 1.00 0.00 C ATOM 653 CG ASP A 81 2.041 -10.622 -3.133 1.00 0.00 C ATOM 654 OD1 ASP A 81 2.512 -11.412 -3.979 1.00 0.00 O ATOM 655 OD2 ASP A 81 1.551 -10.937 -2.027 1.00 0.00 O ATOM 0 H ASP A 81 1.743 -10.656 -5.483 1.00 0.00 H new ATOM 0 HA ASP A 81 0.219 -8.729 -4.511 1.00 0.00 H new ATOM 0 HB2 ASP A 81 3.104 -8.823 -3.611 1.00 0.00 H new ATOM 0 HB3 ASP A 81 1.668 -8.570 -2.639 1.00 0.00 H new ATOM 656 N ILE A 82 0.834 -6.582 -5.690 1.00 0.00 N ATOM 657 CA ILE A 82 1.156 -5.247 -6.167 1.00 0.00 C ATOM 658 C ILE A 82 0.548 -4.211 -5.219 1.00 0.00 C ATOM 659 O ILE A 82 -0.657 -4.224 -4.970 1.00 0.00 O ATOM 660 CB ILE A 82 0.719 -5.079 -7.624 1.00 0.00 C ATOM 661 CG1 ILE A 82 1.222 -3.753 -8.197 1.00 0.00 C ATOM 662 CG2 ILE A 82 -0.798 -5.225 -7.761 1.00 0.00 C ATOM 663 CD1 ILE A 82 0.410 -2.577 -7.652 1.00 0.00 C ATOM 0 H ILE A 82 -0.151 -6.836 -5.765 1.00 0.00 H new ATOM 0 HA ILE A 82 2.235 -5.090 -6.162 1.00 0.00 H new ATOM 0 HB ILE A 82 1.173 -5.876 -8.212 1.00 0.00 H new ATOM 0 HG12 ILE A 82 2.274 -3.620 -7.946 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.154 -3.774 -9.285 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.083 -5.101 -8.806 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -1.101 -6.214 -7.417 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -1.293 -4.464 -7.158 1.00 0.00 H new ATOM 0 HD11 ILE A 82 0.788 -1.646 -8.075 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -0.638 -2.701 -7.926 1.00 0.00 H new ATOM 0 HD13 ILE A 82 0.500 -2.545 -6.566 1.00 0.00 H new ATOM 664 N ILE A 83 1.409 -3.338 -4.717 1.00 0.00 N ATOM 665 CA ILE A 83 0.972 -2.296 -3.803 1.00 0.00 C ATOM 666 C ILE A 83 1.797 -1.032 -4.046 1.00 0.00 C ATOM 667 O ILE A 83 2.995 -1.003 -3.763 1.00 0.00 O ATOM 668 CB ILE A 83 1.023 -2.797 -2.357 1.00 0.00 C ATOM 669 CG1 ILE A 83 0.164 -4.051 -2.181 1.00 0.00 C ATOM 670 CG2 ILE A 83 0.628 -1.688 -1.380 1.00 0.00 C ATOM 671 CD1 ILE A 83 0.065 -4.443 -0.706 1.00 0.00 C ATOM 0 H ILE A 83 2.407 -3.331 -4.926 1.00 0.00 H new ATOM 0 HA ILE A 83 -0.070 -2.037 -3.990 1.00 0.00 H new ATOM 0 HB ILE A 83 2.051 -3.077 -2.127 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -0.834 -3.872 -2.581 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.594 -4.874 -2.752 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.672 -2.069 -0.360 1.00 0.00 H new ATOM 0 HG22 ILE A 83 1.316 -0.849 -1.484 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -0.386 -1.354 -1.599 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -0.551 -5.337 -0.608 1.00 0.00 H new ATOM 0 HD12 ILE A 83 1.062 -4.645 -0.315 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -0.387 -3.627 -0.142 1.00 0.00 H new ATOM 672 N VAL A 84 1.126 -0.015 -4.566 1.00 0.00 N ATOM 673 CA VAL A 84 1.781 1.250 -4.850 1.00 0.00 C ATOM 674 C VAL A 84 1.423 2.261 -3.758 1.00 0.00 C ATOM 675 O VAL A 84 0.249 2.462 -3.455 1.00 0.00 O ATOM 676 CB VAL A 84 1.410 1.729 -6.254 1.00 0.00 C ATOM 677 CG1 VAL A 84 1.442 0.571 -7.255 1.00 0.00 C ATOM 678 CG2 VAL A 84 0.043 2.416 -6.254 1.00 0.00 C ATOM 0 H VAL A 84 0.133 -0.042 -4.798 1.00 0.00 H new ATOM 0 HA VAL A 84 2.864 1.130 -4.839 1.00 0.00 H new ATOM 0 HB VAL A 84 2.154 2.462 -6.566 1.00 0.00 H new ATOM 0 HG11 VAL A 84 1.174 0.939 -8.246 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.444 0.144 -7.285 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.730 -0.195 -6.948 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.198 2.747 -7.264 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.717 1.714 -5.912 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.068 3.277 -5.586 1.00 0.00 H new ATOM 679 N ILE A 85 2.458 2.870 -3.198 1.00 0.00 N ATOM 680 CA ILE A 85 2.267 3.855 -2.147 1.00 0.00 C ATOM 681 C ILE A 85 2.660 5.237 -2.673 1.00 0.00 C ATOM 682 O ILE A 85 3.418 5.347 -3.635 1.00 0.00 O ATOM 683 CB ILE A 85 3.022 3.442 -0.881 1.00 0.00 C ATOM 684 CG1 ILE A 85 3.439 1.971 -0.948 1.00 0.00 C ATOM 685 CG2 ILE A 85 2.199 3.747 0.372 1.00 0.00 C ATOM 686 CD1 ILE A 85 2.236 1.071 -1.235 1.00 0.00 C ATOM 0 H ILE A 85 3.431 2.700 -3.452 1.00 0.00 H new ATOM 0 HA ILE A 85 1.217 3.908 -1.861 1.00 0.00 H new ATOM 0 HB ILE A 85 3.935 4.034 -0.819 1.00 0.00 H new ATOM 0 HG12 ILE A 85 4.191 1.838 -1.726 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.900 1.677 -0.005 1.00 0.00 H new ATOM 0 HG21 ILE A 85 2.758 3.444 1.257 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.994 4.816 0.421 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.258 3.198 0.332 1.00 0.00 H new ATOM 0 HD11 ILE A 85 2.561 0.031 -1.277 1.00 0.00 H new ATOM 0 HD12 ILE A 85 1.497 1.188 -0.443 1.00 0.00 H new ATOM 0 HD13 ILE A 85 1.792 1.351 -2.190 1.00 0.00 H new ATOM 687 N ALA A 86 2.126 6.257 -2.017 1.00 0.00 N ATOM 688 CA ALA A 86 2.410 7.628 -2.407 1.00 0.00 C ATOM 689 C ALA A 86 3.652 8.119 -1.659 1.00 0.00 C ATOM 690 O ALA A 86 3.694 9.259 -1.201 1.00 0.00 O ATOM 691 CB ALA A 86 1.183 8.501 -2.136 1.00 0.00 C ATOM 0 H ALA A 86 1.499 6.162 -1.218 1.00 0.00 H new ATOM 0 HA ALA A 86 2.622 7.687 -3.474 1.00 0.00 H new ATOM 0 HB1 ALA A 86 1.396 9.529 -2.429 1.00 0.00 H new ATOM 0 HB2 ALA A 86 0.336 8.128 -2.712 1.00 0.00 H new ATOM 0 HB3 ALA A 86 0.941 8.469 -1.074 1.00 0.00 H new ATOM 692 N ARG A 87 4.631 7.233 -1.558 1.00 0.00 N ATOM 693 CA ARG A 87 5.870 7.561 -0.874 1.00 0.00 C ATOM 694 C ARG A 87 5.585 8.434 0.350 1.00 0.00 C ATOM 695 O ARG A 87 5.340 7.919 1.441 1.00 0.00 O ATOM 696 CB ARG A 87 6.834 8.299 -1.804 1.00 0.00 C ATOM 697 CG ARG A 87 7.941 7.366 -2.300 1.00 0.00 C ATOM 698 CD ARG A 87 8.860 6.947 -1.150 1.00 0.00 C ATOM 699 NE ARG A 87 9.333 5.560 -1.360 1.00 0.00 N ATOM 700 CZ ARG A 87 10.111 4.892 -0.498 1.00 0.00 C ATOM 0 H ARG A 87 4.592 6.288 -1.939 1.00 0.00 H new ATOM 0 HA ARG A 87 6.332 6.626 -0.559 1.00 0.00 H new ATOM 0 HB2 ARG A 87 6.286 8.703 -2.655 1.00 0.00 H new ATOM 0 HB3 ARG A 87 7.276 9.146 -1.278 1.00 0.00 H new ATOM 0 HG2 ARG A 87 7.498 6.481 -2.757 1.00 0.00 H new ATOM 0 HG3 ARG A 87 8.524 7.866 -3.073 1.00 0.00 H new ATOM 0 HD2 ARG A 87 9.711 7.625 -1.088 1.00 0.00 H new ATOM 0 HD3 ARG A 87 8.326 7.018 -0.202 1.00 0.00 H new ATOM 0 HE ARG A 87 9.048 5.083 -2.215 1.00 0.00 H new ATOM 701 N GLN A 88 5.625 9.739 0.129 1.00 0.00 N ATOM 702 CA GLN A 88 5.375 10.689 1.200 1.00 0.00 C ATOM 703 C GLN A 88 5.153 12.090 0.627 1.00 0.00 C ATOM 704 O GLN A 88 4.101 12.691 0.836 1.00 0.00 O ATOM 705 CB GLN A 88 6.520 10.686 2.214 1.00 0.00 C ATOM 706 CG GLN A 88 6.023 10.272 3.601 1.00 0.00 C ATOM 707 CD GLN A 88 7.108 10.487 4.658 1.00 0.00 C ATOM 708 OE1 GLN A 88 7.805 9.571 5.065 1.00 0.00 O ATOM 709 NE2 GLN A 88 7.212 11.744 5.079 1.00 0.00 N ATOM 0 H GLN A 88 5.827 10.162 -0.777 1.00 0.00 H new ATOM 0 HA GLN A 88 4.469 10.385 1.724 1.00 0.00 H new ATOM 0 HB2 GLN A 88 7.301 10.001 1.884 1.00 0.00 H new ATOM 0 HB3 GLN A 88 6.968 11.679 2.265 1.00 0.00 H new ATOM 0 HG2 GLN A 88 5.137 10.851 3.861 1.00 0.00 H new ATOM 0 HG3 GLN A 88 5.726 9.223 3.587 1.00 0.00 H new ATOM 0 HE21 GLN A 88 6.597 12.462 4.697 1.00 0.00 H new ATOM 0 HE22 GLN A 88 7.907 11.990 5.784 1.00 0.00 H new ATOM 710 N PRO A 89 6.189 12.582 -0.104 1.00 0.00 N ATOM 711 CA PRO A 89 6.119 13.901 -0.709 1.00 0.00 C ATOM 712 C PRO A 89 5.210 13.892 -1.940 1.00 0.00 C ATOM 713 O PRO A 89 5.067 14.907 -2.619 1.00 0.00 O ATOM 714 CB PRO A 89 7.558 14.261 -1.037 1.00 0.00 C ATOM 715 CG PRO A 89 8.327 12.951 -1.032 1.00 0.00 C ATOM 716 CD PRO A 89 7.451 11.898 -0.372 1.00 0.00 C ATOM 0 HA PRO A 89 5.678 14.645 -0.045 1.00 0.00 H new ATOM 0 HB2 PRO A 89 7.626 14.750 -2.009 1.00 0.00 H new ATOM 0 HB3 PRO A 89 7.964 14.955 -0.301 1.00 0.00 H new ATOM 0 HG2 PRO A 89 8.580 12.653 -2.049 1.00 0.00 H new ATOM 0 HG3 PRO A 89 9.266 13.062 -0.489 1.00 0.00 H new ATOM 0 HD2 PRO A 89 7.305 11.038 -1.026 1.00 0.00 H new ATOM 0 HD3 PRO A 89 7.903 11.526 0.547 1.00 0.00 H new ATOM 717 N ALA A 90 4.618 12.733 -2.191 1.00 0.00 N ATOM 718 CA ALA A 90 3.726 12.578 -3.327 1.00 0.00 C ATOM 719 C ALA A 90 2.709 13.720 -3.331 1.00 0.00 C ATOM 720 O ALA A 90 2.116 14.024 -4.366 1.00 0.00 O ATOM 721 CB ALA A 90 3.060 11.202 -3.269 1.00 0.00 C ATOM 0 H ALA A 90 4.739 11.892 -1.626 1.00 0.00 H new ATOM 0 HA ALA A 90 4.283 12.631 -4.263 1.00 0.00 H new ATOM 0 HB1 ALA A 90 2.391 11.086 -4.121 1.00 0.00 H new ATOM 0 HB2 ALA A 90 3.825 10.426 -3.300 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.489 11.113 -2.345 1.00 0.00 H new ATOM 722 N LYS A 91 2.537 14.321 -2.164 1.00 0.00 N ATOM 723 CA LYS A 91 1.601 15.424 -2.020 1.00 0.00 C ATOM 724 C LYS A 91 1.950 16.517 -3.030 1.00 0.00 C ATOM 725 O LYS A 91 1.109 17.353 -3.359 1.00 0.00 O ATOM 726 CB LYS A 91 1.568 15.912 -0.571 1.00 0.00 C ATOM 727 CG LYS A 91 2.974 16.255 -0.075 1.00 0.00 C ATOM 728 CD LYS A 91 2.992 17.615 0.626 1.00 0.00 C ATOM 729 CE LYS A 91 4.070 18.524 0.032 1.00 0.00 C ATOM 730 NZ LYS A 91 5.325 18.417 0.810 1.00 0.00 N ATOM 0 H LYS A 91 3.030 14.066 -1.308 1.00 0.00 H new ATOM 0 HA LYS A 91 0.586 15.095 -2.244 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.927 16.790 -0.494 1.00 0.00 H new ATOM 0 HB3 LYS A 91 1.132 15.142 0.066 1.00 0.00 H new ATOM 0 HG2 LYS A 91 3.319 15.483 0.613 1.00 0.00 H new ATOM 0 HG3 LYS A 91 3.667 16.266 -0.916 1.00 0.00 H new ATOM 0 HD2 LYS A 91 2.016 18.091 0.529 1.00 0.00 H new ATOM 0 HD3 LYS A 91 3.175 17.476 1.692 1.00 0.00 H new ATOM 0 HE2 LYS A 91 4.254 18.249 -1.006 1.00 0.00 H new ATOM 0 HE3 LYS A 91 3.723 19.557 0.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 6.046 19.040 0.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 5.148 18.702 1.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 5.664 17.434 0.789 1.00 0.00 H new ATOM 731 N ASP A 92 3.189 16.477 -3.494 1.00 0.00 N ATOM 732 CA ASP A 92 3.659 17.455 -4.461 1.00 0.00 C ATOM 733 C ASP A 92 3.579 16.855 -5.867 1.00 0.00 C ATOM 734 O ASP A 92 4.180 17.380 -6.804 1.00 0.00 O ATOM 735 CB ASP A 92 5.116 17.839 -4.193 1.00 0.00 C ATOM 736 CG ASP A 92 6.116 16.685 -4.286 1.00 0.00 C ATOM 737 OD1 ASP A 92 6.089 15.993 -5.326 1.00 0.00 O ATOM 738 OD2 ASP A 92 6.885 16.521 -3.314 1.00 0.00 O ATOM 0 H ASP A 92 3.883 15.782 -3.219 1.00 0.00 H new ATOM 0 HA ASP A 92 3.031 18.342 -4.376 1.00 0.00 H new ATOM 0 HB2 ASP A 92 5.409 18.612 -4.904 1.00 0.00 H new ATOM 0 HB3 ASP A 92 5.183 18.279 -3.198 1.00 0.00 H new ATOM 739 N MET A 93 2.832 15.766 -5.969 1.00 0.00 N ATOM 740 CA MET A 93 2.666 15.090 -7.244 1.00 0.00 C ATOM 741 C MET A 93 1.265 15.326 -7.812 1.00 0.00 C ATOM 742 O MET A 93 0.302 15.465 -7.060 1.00 0.00 O ATOM 743 CB MET A 93 2.895 13.589 -7.061 1.00 0.00 C ATOM 744 CG MET A 93 2.815 12.853 -8.399 1.00 0.00 C ATOM 745 SD MET A 93 2.525 11.114 -8.125 1.00 0.00 S ATOM 746 CE MET A 93 1.316 11.203 -6.815 1.00 0.00 C ATOM 0 H MET A 93 2.335 15.335 -5.190 1.00 0.00 H new ATOM 0 HA MET A 93 3.396 15.495 -7.945 1.00 0.00 H new ATOM 0 HB2 MET A 93 3.871 13.420 -6.607 1.00 0.00 H new ATOM 0 HB3 MET A 93 2.150 13.185 -6.375 1.00 0.00 H new ATOM 0 HG2 MET A 93 2.013 13.272 -9.006 1.00 0.00 H new ATOM 0 HG3 MET A 93 3.742 12.992 -8.955 1.00 0.00 H new ATOM 0 HE1 MET A 93 0.855 10.225 -6.679 1.00 0.00 H new ATOM 0 HE2 MET A 93 1.805 11.506 -5.889 1.00 0.00 H new ATOM 0 HE3 MET A 93 0.549 11.933 -7.076 1.00 0.00 H new ATOM 747 N THR A 94 1.196 15.366 -9.134 1.00 0.00 N ATOM 748 CA THR A 94 -0.071 15.583 -9.812 1.00 0.00 C ATOM 749 C THR A 94 -0.454 14.352 -10.635 1.00 0.00 C ATOM 750 O THR A 94 0.415 13.619 -11.103 1.00 0.00 O ATOM 751 CB THR A 94 0.053 16.858 -10.648 1.00 0.00 C ATOM 752 OG1 THR A 94 1.416 16.870 -11.064 1.00 0.00 O ATOM 753 CG2 THR A 94 -0.091 18.128 -9.806 1.00 0.00 C ATOM 0 H THR A 94 1.997 15.252 -9.755 1.00 0.00 H new ATOM 0 HA THR A 94 -0.883 15.722 -9.098 1.00 0.00 H new ATOM 0 HB THR A 94 -0.706 16.853 -11.430 1.00 0.00 H new ATOM 0 HG1 THR A 94 1.583 17.664 -11.614 1.00 0.00 H new ATOM 0 HG21 THR A 94 0.005 19.003 -10.448 1.00 0.00 H new ATOM 0 HG22 THR A 94 -1.069 18.137 -9.325 1.00 0.00 H new ATOM 0 HG23 THR A 94 0.688 18.150 -9.044 1.00 0.00 H new ATOM 754 N THR A 95 -1.757 14.162 -10.785 1.00 0.00 N ATOM 755 CA THR A 95 -2.266 13.032 -11.543 1.00 0.00 C ATOM 756 C THR A 95 -1.528 12.909 -12.877 1.00 0.00 C ATOM 757 O THR A 95 -1.505 11.837 -13.482 1.00 0.00 O ATOM 758 CB THR A 95 -3.777 13.209 -11.699 1.00 0.00 C ATOM 759 OG1 THR A 95 -4.319 12.636 -10.511 1.00 0.00 O ATOM 760 CG2 THR A 95 -4.356 12.350 -12.825 1.00 0.00 C ATOM 0 H THR A 95 -2.475 14.772 -10.394 1.00 0.00 H new ATOM 0 HA THR A 95 -2.087 12.092 -11.020 1.00 0.00 H new ATOM 0 HB THR A 95 -4.000 14.258 -11.893 1.00 0.00 H new ATOM 0 HG1 THR A 95 -5.209 12.272 -10.700 1.00 0.00 H new ATOM 0 HG21 THR A 95 -5.431 12.514 -12.892 1.00 0.00 H new ATOM 0 HG22 THR A 95 -3.887 12.625 -13.770 1.00 0.00 H new ATOM 0 HG23 THR A 95 -4.162 11.298 -12.616 1.00 0.00 H new ATOM 761 N LEU A 96 -0.944 14.021 -13.299 1.00 0.00 N ATOM 762 CA LEU A 96 -0.207 14.051 -14.550 1.00 0.00 C ATOM 763 C LEU A 96 1.075 13.228 -14.403 1.00 0.00 C ATOM 764 O LEU A 96 1.477 12.527 -15.331 1.00 0.00 O ATOM 765 CB LEU A 96 0.037 15.495 -14.995 1.00 0.00 C ATOM 766 CG LEU A 96 0.500 15.683 -16.440 1.00 0.00 C ATOM 767 CD1 LEU A 96 2.027 15.741 -16.524 1.00 0.00 C ATOM 768 CD2 LEU A 96 -0.082 14.598 -17.348 1.00 0.00 C ATOM 0 H LEU A 96 -0.967 14.908 -12.796 1.00 0.00 H new ATOM 0 HA LEU A 96 -0.792 13.591 -15.347 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.885 16.058 -14.854 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.784 15.936 -14.335 1.00 0.00 H new ATOM 0 HG LEU A 96 0.121 16.640 -16.798 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.329 15.875 -17.563 1.00 0.00 H new ATOM 0 HD12 LEU A 96 2.393 16.578 -15.929 1.00 0.00 H new ATOM 0 HD13 LEU A 96 2.448 14.812 -16.141 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.263 14.755 -18.370 1.00 0.00 H new ATOM 0 HD22 LEU A 96 0.246 13.618 -17.001 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.171 14.646 -17.321 1.00 0.00 H new ATOM 769 N GLN A 97 1.681 13.341 -13.230 1.00 0.00 N ATOM 770 CA GLN A 97 2.909 12.617 -12.950 1.00 0.00 C ATOM 771 C GLN A 97 2.595 11.168 -12.571 1.00 0.00 C ATOM 772 O GLN A 97 3.336 10.254 -12.932 1.00 0.00 O ATOM 773 CB GLN A 97 3.715 13.309 -11.848 1.00 0.00 C ATOM 774 CG GLN A 97 3.648 14.831 -11.994 1.00 0.00 C ATOM 775 CD GLN A 97 4.612 15.517 -11.024 1.00 0.00 C ATOM 776 OE1 GLN A 97 5.411 14.886 -10.352 1.00 0.00 O ATOM 777 NE2 GLN A 97 4.493 16.841 -10.990 1.00 0.00 N ATOM 0 H GLN A 97 1.344 13.923 -12.463 1.00 0.00 H new ATOM 0 HA GLN A 97 3.519 12.613 -13.853 1.00 0.00 H new ATOM 0 HB2 GLN A 97 3.329 13.016 -10.872 1.00 0.00 H new ATOM 0 HB3 GLN A 97 4.754 12.981 -11.891 1.00 0.00 H new ATOM 0 HG2 GLN A 97 3.894 15.113 -13.018 1.00 0.00 H new ATOM 0 HG3 GLN A 97 2.631 15.174 -11.805 1.00 0.00 H new ATOM 0 HE21 GLN A 97 3.803 17.306 -11.579 1.00 0.00 H new ATOM 0 HE22 GLN A 97 5.092 17.391 -10.375 1.00 0.00 H new ATOM 778 N ILE A 98 1.497 11.003 -11.850 1.00 0.00 N ATOM 779 CA ILE A 98 1.076 9.680 -11.419 1.00 0.00 C ATOM 780 C ILE A 98 1.111 8.724 -12.613 1.00 0.00 C ATOM 781 O ILE A 98 1.406 7.541 -12.456 1.00 0.00 O ATOM 782 CB ILE A 98 -0.287 9.751 -10.727 1.00 0.00 C ATOM 783 CG1 ILE A 98 -0.201 10.556 -9.428 1.00 0.00 C ATOM 784 CG2 ILE A 98 -0.857 8.350 -10.496 1.00 0.00 C ATOM 785 CD1 ILE A 98 -1.592 10.999 -8.966 1.00 0.00 C ATOM 0 H ILE A 98 0.885 11.763 -11.553 1.00 0.00 H new ATOM 0 HA ILE A 98 1.766 9.284 -10.674 1.00 0.00 H new ATOM 0 HB ILE A 98 -0.978 10.276 -11.386 1.00 0.00 H new ATOM 0 HG12 ILE A 98 0.269 9.952 -8.652 1.00 0.00 H new ATOM 0 HG13 ILE A 98 0.432 11.430 -9.579 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -1.826 8.428 -10.003 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -0.977 7.844 -11.454 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -0.175 7.779 -9.867 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -1.504 11.569 -8.041 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -2.049 11.622 -9.734 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -2.215 10.121 -8.793 1.00 0.00 H new ATOM 786 N GLN A 99 0.805 9.274 -13.780 1.00 0.00 N ATOM 787 CA GLN A 99 0.797 8.484 -14.999 1.00 0.00 C ATOM 788 C GLN A 99 2.227 8.267 -15.500 1.00 0.00 C ATOM 789 O GLN A 99 2.558 7.191 -15.995 1.00 0.00 O ATOM 790 CB GLN A 99 -0.066 9.147 -16.075 1.00 0.00 C ATOM 791 CG GLN A 99 -1.315 9.782 -15.461 1.00 0.00 C ATOM 792 CD GLN A 99 -2.574 9.357 -16.220 1.00 0.00 C ATOM 793 OE1 GLN A 99 -2.936 9.921 -17.239 1.00 0.00 O ATOM 794 NE2 GLN A 99 -3.220 8.333 -15.668 1.00 0.00 N ATOM 0 H GLN A 99 0.561 10.256 -13.906 1.00 0.00 H new ATOM 0 HA GLN A 99 0.359 7.511 -14.776 1.00 0.00 H new ATOM 0 HB2 GLN A 99 0.516 9.908 -16.595 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -0.359 8.406 -16.819 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -1.400 9.488 -14.415 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -1.223 10.868 -15.481 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -2.863 7.906 -14.813 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -4.072 7.975 -16.099 1.00 0.00 H new ATOM 795 N ASN A 100 3.035 9.307 -15.353 1.00 0.00 N ATOM 796 CA ASN A 100 4.422 9.243 -15.784 1.00 0.00 C ATOM 797 C ASN A 100 5.197 8.308 -14.856 1.00 0.00 C ATOM 798 O ASN A 100 5.996 7.493 -15.316 1.00 0.00 O ATOM 799 CB ASN A 100 5.081 10.622 -15.724 1.00 0.00 C ATOM 800 CG ASN A 100 4.970 11.342 -17.070 1.00 0.00 C ATOM 801 OD1 ASN A 100 5.267 10.798 -18.120 1.00 0.00 O ATOM 802 ND2 ASN A 100 4.528 12.593 -16.979 1.00 0.00 N ATOM 0 H ASN A 100 2.756 10.198 -14.942 1.00 0.00 H new ATOM 0 HA ASN A 100 4.440 8.879 -16.811 1.00 0.00 H new ATOM 0 HB2 ASN A 100 4.608 11.222 -14.947 1.00 0.00 H new ATOM 0 HB3 ASN A 100 6.131 10.516 -15.450 1.00 0.00 H new ATOM 0 HD21 ASN A 100 4.420 13.158 -17.821 1.00 0.00 H new ATOM 0 HD22 ASN A 100 4.297 12.987 -16.067 1.00 0.00 H new ATOM 803 N SER A 101 4.935 8.455 -13.565 1.00 0.00 N ATOM 804 CA SER A 101 5.598 7.632 -12.568 1.00 0.00 C ATOM 805 C SER A 101 5.216 6.164 -12.762 1.00 0.00 C ATOM 806 O SER A 101 6.085 5.294 -12.808 1.00 0.00 O ATOM 807 CB SER A 101 5.244 8.091 -11.152 1.00 0.00 C ATOM 808 OG SER A 101 5.912 9.297 -10.799 1.00 0.00 O ATOM 0 H SER A 101 4.272 9.132 -13.187 1.00 0.00 H new ATOM 0 HA SER A 101 6.675 7.739 -12.697 1.00 0.00 H new ATOM 0 HB2 SER A 101 4.167 8.238 -11.078 1.00 0.00 H new ATOM 0 HB3 SER A 101 5.509 7.309 -10.441 1.00 0.00 H new ATOM 0 HG SER A 101 5.526 9.655 -9.973 1.00 0.00 H new ATOM 809 N LEU A 102 3.916 5.933 -12.871 1.00 0.00 N ATOM 810 CA LEU A 102 3.409 4.585 -13.059 1.00 0.00 C ATOM 811 C LEU A 102 4.100 3.948 -14.267 1.00 0.00 C ATOM 812 O LEU A 102 4.298 2.735 -14.305 1.00 0.00 O ATOM 813 CB LEU A 102 1.882 4.596 -13.160 1.00 0.00 C ATOM 814 CG LEU A 102 1.124 4.181 -11.898 1.00 0.00 C ATOM 815 CD1 LEU A 102 -0.073 5.103 -11.650 1.00 0.00 C ATOM 816 CD2 LEU A 102 0.710 2.710 -11.965 1.00 0.00 C ATOM 0 H LEU A 102 3.199 6.657 -12.833 1.00 0.00 H new ATOM 0 HA LEU A 102 3.644 3.966 -12.193 1.00 0.00 H new ATOM 0 HB2 LEU A 102 1.563 5.601 -13.438 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.587 3.932 -13.972 1.00 0.00 H new ATOM 0 HG LEU A 102 1.795 4.287 -11.046 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -0.595 4.787 -10.747 1.00 0.00 H new ATOM 0 HD12 LEU A 102 0.277 6.128 -11.527 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.754 5.052 -12.500 1.00 0.00 H new ATOM 0 HD21 LEU A 102 0.173 2.441 -11.055 1.00 0.00 H new ATOM 0 HD22 LEU A 102 0.063 2.553 -12.828 1.00 0.00 H new ATOM 0 HD23 LEU A 102 1.599 2.086 -12.059 1.00 0.00 H new ATOM 817 N GLU A 103 4.447 4.796 -15.225 1.00 0.00 N ATOM 818 CA GLU A 103 5.113 4.331 -16.430 1.00 0.00 C ATOM 819 C GLU A 103 6.569 3.970 -16.128 1.00 0.00 C ATOM 820 O GLU A 103 7.304 3.547 -17.017 1.00 0.00 O ATOM 821 CB GLU A 103 5.026 5.378 -17.542 1.00 0.00 C ATOM 822 CG GLU A 103 3.942 5.012 -18.557 1.00 0.00 C ATOM 823 CD GLU A 103 4.387 5.351 -19.981 1.00 0.00 C ATOM 824 OE1 GLU A 103 4.930 6.463 -20.157 1.00 0.00 O ATOM 825 OE2 GLU A 103 4.174 4.491 -20.862 1.00 0.00 O ATOM 0 H GLU A 103 4.279 5.802 -15.191 1.00 0.00 H new ATOM 0 HA GLU A 103 4.603 3.433 -16.780 1.00 0.00 H new ATOM 0 HB2 GLU A 103 4.810 6.355 -17.110 1.00 0.00 H new ATOM 0 HB3 GLU A 103 5.989 5.459 -18.046 1.00 0.00 H new ATOM 0 HG2 GLU A 103 3.717 3.948 -18.486 1.00 0.00 H new ATOM 0 HG3 GLU A 103 3.023 5.549 -18.322 1.00 0.00 H new ATOM 826 N HIS A 104 6.940 4.152 -14.869 1.00 0.00 N ATOM 827 CA HIS A 104 8.296 3.850 -14.438 1.00 0.00 C ATOM 828 C HIS A 104 8.253 2.988 -13.175 1.00 0.00 C ATOM 829 O HIS A 104 8.505 1.785 -13.232 1.00 0.00 O ATOM 830 CB HIS A 104 9.105 5.136 -14.252 1.00 0.00 C ATOM 831 CG HIS A 104 10.347 4.962 -13.412 1.00 0.00 C ATOM 832 ND1 HIS A 104 10.912 3.842 -12.876 1.00 0.00 N flip ATOM 833 CD2 HIS A 104 11.155 6.023 -13.041 1.00 0.00 C flip ATOM 834 CE1 HIS A 104 12.005 4.199 -12.214 1.00 0.00 C flip ATOM 835 NE2 HIS A 104 12.157 5.551 -12.315 1.00 0.00 N flip ATOM 0 H HIS A 104 6.327 4.504 -14.134 1.00 0.00 H new ATOM 0 HA HIS A 104 8.808 3.276 -15.210 1.00 0.00 H new ATOM 0 HB2 HIS A 104 9.392 5.518 -15.232 1.00 0.00 H new ATOM 0 HB3 HIS A 104 8.468 5.890 -13.790 1.00 0.00 H new ATOM 0 HD2 HIS A 104 10.995 7.059 -13.300 1.00 0.00 H new ATOM 0 HE1 HIS A 104 12.665 3.530 -11.683 1.00 0.00 H new ATOM 0 HE2 HIS A 104 12.910 6.102 -11.903 1.00 0.00 H new ATOM 836 N VAL A 105 7.932 3.636 -12.066 1.00 0.00 N ATOM 837 CA VAL A 105 7.853 2.943 -10.791 1.00 0.00 C ATOM 838 C VAL A 105 7.309 1.531 -11.015 1.00 0.00 C ATOM 839 O VAL A 105 7.937 0.550 -10.620 1.00 0.00 O ATOM 840 CB VAL A 105 7.014 3.757 -9.804 1.00 0.00 C ATOM 841 CG1 VAL A 105 5.530 3.703 -10.171 1.00 0.00 C ATOM 842 CG2 VAL A 105 7.241 3.281 -8.367 1.00 0.00 C ATOM 0 H VAL A 105 7.723 4.634 -12.023 1.00 0.00 H new ATOM 0 HA VAL A 105 8.844 2.843 -10.349 1.00 0.00 H new ATOM 0 HB VAL A 105 7.337 4.796 -9.868 1.00 0.00 H new ATOM 0 HG11 VAL A 105 4.956 4.290 -9.454 1.00 0.00 H new ATOM 0 HG12 VAL A 105 5.387 4.112 -11.171 1.00 0.00 H new ATOM 0 HG13 VAL A 105 5.187 2.668 -10.150 1.00 0.00 H new ATOM 0 HG21 VAL A 105 6.633 3.876 -7.686 1.00 0.00 H new ATOM 0 HG22 VAL A 105 6.959 2.232 -8.282 1.00 0.00 H new ATOM 0 HG23 VAL A 105 8.293 3.396 -8.108 1.00 0.00 H new ATOM 843 N LEU A 106 6.147 1.473 -11.649 1.00 0.00 N ATOM 844 CA LEU A 106 5.511 0.197 -11.930 1.00 0.00 C ATOM 845 C LEU A 106 6.365 -0.583 -12.933 1.00 0.00 C ATOM 846 O LEU A 106 6.549 -1.791 -12.788 1.00 0.00 O ATOM 847 CB LEU A 106 4.066 0.408 -12.387 1.00 0.00 C ATOM 848 CG LEU A 106 3.674 -0.263 -13.705 1.00 0.00 C ATOM 849 CD1 LEU A 106 3.955 -1.766 -13.660 1.00 0.00 C ATOM 850 CD2 LEU A 106 2.217 0.038 -14.062 1.00 0.00 C ATOM 0 H LEU A 106 5.629 2.289 -11.976 1.00 0.00 H new ATOM 0 HA LEU A 106 5.450 -0.406 -11.024 1.00 0.00 H new ATOM 0 HB2 LEU A 106 3.401 0.042 -11.604 1.00 0.00 H new ATOM 0 HB3 LEU A 106 3.888 1.479 -12.481 1.00 0.00 H new ATOM 0 HG LEU A 106 4.292 0.156 -14.499 1.00 0.00 H new ATOM 0 HD11 LEU A 106 3.667 -2.219 -14.609 1.00 0.00 H new ATOM 0 HD12 LEU A 106 5.018 -1.932 -13.486 1.00 0.00 H new ATOM 0 HD13 LEU A 106 3.380 -2.220 -12.853 1.00 0.00 H new ATOM 0 HD21 LEU A 106 1.965 -0.451 -15.003 1.00 0.00 H new ATOM 0 HD22 LEU A 106 1.564 -0.335 -13.273 1.00 0.00 H new ATOM 0 HD23 LEU A 106 2.083 1.115 -14.165 1.00 0.00 H new ATOM 851 N LYS A 107 6.862 0.140 -13.926 1.00 0.00 N ATOM 852 CA LYS A 107 7.692 -0.470 -14.951 1.00 0.00 C ATOM 853 C LYS A 107 8.770 -1.328 -14.286 1.00 0.00 C ATOM 854 O LYS A 107 9.284 -2.267 -14.893 1.00 0.00 O ATOM 855 CB LYS A 107 8.251 0.598 -15.893 1.00 0.00 C ATOM 856 CG LYS A 107 8.959 -0.041 -17.089 1.00 0.00 C ATOM 857 CD LYS A 107 8.849 0.846 -18.331 1.00 0.00 C ATOM 858 CE LYS A 107 9.617 0.242 -19.507 1.00 0.00 C ATOM 859 NZ LYS A 107 8.715 0.023 -20.659 1.00 0.00 N ATOM 0 H LYS A 107 6.706 1.141 -14.043 1.00 0.00 H new ATOM 0 HA LYS A 107 7.097 -1.135 -15.577 1.00 0.00 H new ATOM 0 HB2 LYS A 107 7.441 1.238 -16.245 1.00 0.00 H new ATOM 0 HB3 LYS A 107 8.949 1.236 -15.351 1.00 0.00 H new ATOM 0 HG2 LYS A 107 10.009 -0.207 -16.848 1.00 0.00 H new ATOM 0 HG3 LYS A 107 8.521 -1.018 -17.296 1.00 0.00 H new ATOM 0 HD2 LYS A 107 7.800 0.969 -18.602 1.00 0.00 H new ATOM 0 HD3 LYS A 107 9.240 1.839 -18.109 1.00 0.00 H new ATOM 0 HE2 LYS A 107 10.431 0.906 -19.797 1.00 0.00 H new ATOM 0 HE3 LYS A 107 10.069 -0.703 -19.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 9.253 -0.388 -21.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 7.953 -0.629 -20.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 8.304 0.931 -20.956 1.00 0.00 H new ATOM 860 N ILE A 108 9.080 -0.976 -13.047 1.00 0.00 N ATOM 861 CA ILE A 108 10.088 -1.702 -12.292 1.00 0.00 C ATOM 862 C ILE A 108 9.428 -2.877 -11.569 1.00 0.00 C ATOM 863 O ILE A 108 9.985 -3.972 -11.519 1.00 0.00 O ATOM 864 CB ILE A 108 10.847 -0.754 -11.362 1.00 0.00 C ATOM 865 CG1 ILE A 108 11.199 0.552 -12.077 1.00 0.00 C ATOM 866 CG2 ILE A 108 12.083 -1.437 -10.774 1.00 0.00 C ATOM 867 CD1 ILE A 108 11.790 1.570 -11.101 1.00 0.00 C ATOM 0 H ILE A 108 8.651 -0.198 -12.547 1.00 0.00 H new ATOM 0 HA ILE A 108 10.839 -2.121 -12.962 1.00 0.00 H new ATOM 0 HB ILE A 108 10.193 -0.497 -10.528 1.00 0.00 H new ATOM 0 HG12 ILE A 108 11.913 0.352 -12.876 1.00 0.00 H new ATOM 0 HG13 ILE A 108 10.306 0.967 -12.544 1.00 0.00 H new ATOM 0 HG21 ILE A 108 12.605 -0.742 -10.117 1.00 0.00 H new ATOM 0 HG22 ILE A 108 11.777 -2.315 -10.205 1.00 0.00 H new ATOM 0 HG23 ILE A 108 12.749 -1.742 -11.581 1.00 0.00 H new ATOM 0 HD11 ILE A 108 12.031 2.489 -11.635 1.00 0.00 H new ATOM 0 HD12 ILE A 108 11.064 1.786 -10.317 1.00 0.00 H new ATOM 0 HD13 ILE A 108 12.696 1.162 -10.654 1.00 0.00 H new ATOM 868 N ALA A 109 8.250 -2.610 -11.025 1.00 0.00 N ATOM 869 CA ALA A 109 7.508 -3.631 -10.306 1.00 0.00 C ATOM 870 C ALA A 109 7.253 -4.820 -11.234 1.00 0.00 C ATOM 871 O ALA A 109 7.324 -5.972 -10.809 1.00 0.00 O ATOM 872 CB ALA A 109 6.212 -3.031 -9.758 1.00 0.00 C ATOM 0 H ALA A 109 7.791 -1.700 -11.068 1.00 0.00 H new ATOM 0 HA ALA A 109 8.084 -3.995 -9.455 1.00 0.00 H new ATOM 0 HB1 ALA A 109 5.656 -3.798 -9.219 1.00 0.00 H new ATOM 0 HB2 ALA A 109 6.449 -2.210 -9.081 1.00 0.00 H new ATOM 0 HB3 ALA A 109 5.607 -2.657 -10.584 1.00 0.00 H new ATOM 873 N LYS A 110 6.961 -4.499 -12.487 1.00 0.00 N ATOM 874 CA LYS A 110 6.696 -5.525 -13.480 1.00 0.00 C ATOM 875 C LYS A 110 5.312 -6.128 -13.226 1.00 0.00 C ATOM 876 O LYS A 110 5.101 -7.320 -13.444 1.00 0.00 O ATOM 877 CB LYS A 110 7.822 -6.560 -13.497 1.00 0.00 C ATOM 878 CG LYS A 110 7.777 -7.400 -14.774 1.00 0.00 C ATOM 879 CD LYS A 110 9.110 -7.330 -15.524 1.00 0.00 C ATOM 880 CE LYS A 110 9.336 -8.593 -16.358 1.00 0.00 C ATOM 881 NZ LYS A 110 10.209 -8.298 -17.517 1.00 0.00 N ATOM 0 H LYS A 110 6.902 -3.542 -12.836 1.00 0.00 H new ATOM 0 HA LYS A 110 6.679 -5.091 -14.480 1.00 0.00 H new ATOM 0 HB2 LYS A 110 8.785 -6.055 -13.423 1.00 0.00 H new ATOM 0 HB3 LYS A 110 7.736 -7.210 -12.627 1.00 0.00 H new ATOM 0 HG2 LYS A 110 7.550 -8.436 -14.524 1.00 0.00 H new ATOM 0 HG3 LYS A 110 6.974 -7.045 -15.419 1.00 0.00 H new ATOM 0 HD2 LYS A 110 9.121 -6.454 -16.173 1.00 0.00 H new ATOM 0 HD3 LYS A 110 9.926 -7.209 -14.812 1.00 0.00 H new ATOM 0 HE2 LYS A 110 9.791 -9.368 -15.740 1.00 0.00 H new ATOM 0 HE3 LYS A 110 8.379 -8.983 -16.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 10.353 -9.165 -18.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 9.760 -7.574 -18.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 11.128 -7.947 -17.179 1.00 0.00 H new ATOM 882 N VAL A 111 4.406 -5.276 -12.771 1.00 0.00 N ATOM 883 CA VAL A 111 3.048 -5.709 -12.485 1.00 0.00 C ATOM 884 C VAL A 111 2.186 -5.530 -13.737 1.00 0.00 C ATOM 885 O VAL A 111 0.971 -5.707 -13.689 1.00 0.00 O ATOM 886 CB VAL A 111 2.502 -4.955 -11.271 1.00 0.00 C ATOM 887 CG1 VAL A 111 3.382 -5.187 -10.041 1.00 0.00 C ATOM 888 CG2 VAL A 111 2.362 -3.462 -11.571 1.00 0.00 C ATOM 0 H VAL A 111 4.585 -4.288 -12.593 1.00 0.00 H new ATOM 0 HA VAL A 111 3.032 -6.768 -12.227 1.00 0.00 H new ATOM 0 HB VAL A 111 1.509 -5.347 -11.051 1.00 0.00 H new ATOM 0 HG11 VAL A 111 2.972 -4.640 -9.192 1.00 0.00 H new ATOM 0 HG12 VAL A 111 3.409 -6.252 -9.808 1.00 0.00 H new ATOM 0 HG13 VAL A 111 4.393 -4.835 -10.245 1.00 0.00 H new ATOM 0 HG21 VAL A 111 1.972 -2.949 -10.692 1.00 0.00 H new ATOM 0 HG22 VAL A 111 3.338 -3.050 -11.829 1.00 0.00 H new ATOM 0 HG23 VAL A 111 1.677 -3.322 -12.407 1.00 0.00 H new ATOM 889 N PHE A 112 2.850 -5.181 -14.829 1.00 0.00 N ATOM 890 CA PHE A 112 2.161 -4.975 -16.091 1.00 0.00 C ATOM 891 C PHE A 112 2.939 -5.604 -17.250 1.00 0.00 C ATOM 892 O PHE A 112 4.084 -5.236 -17.505 1.00 0.00 O ATOM 893 CB PHE A 112 2.073 -3.465 -16.312 1.00 0.00 C ATOM 894 CG PHE A 112 3.368 -2.835 -16.829 1.00 0.00 C ATOM 895 CD1 PHE A 112 4.560 -3.174 -16.271 1.00 0.00 C ATOM 896 CD2 PHE A 112 3.326 -1.934 -17.848 1.00 0.00 C ATOM 897 CE1 PHE A 112 5.762 -2.590 -16.751 1.00 0.00 C ATOM 898 CE2 PHE A 112 4.528 -1.350 -18.329 1.00 0.00 C ATOM 899 CZ PHE A 112 5.720 -1.690 -17.769 1.00 0.00 C ATOM 0 H PHE A 112 3.859 -5.036 -14.866 1.00 0.00 H new ATOM 0 HA PHE A 112 1.175 -5.439 -16.056 1.00 0.00 H new ATOM 0 HB2 PHE A 112 1.272 -3.258 -17.022 1.00 0.00 H new ATOM 0 HB3 PHE A 112 1.798 -2.986 -15.372 1.00 0.00 H new ATOM 0 HD1 PHE A 112 4.593 -3.888 -15.462 1.00 0.00 H new ATOM 0 HD2 PHE A 112 2.379 -1.663 -18.291 1.00 0.00 H new ATOM 0 HE1 PHE A 112 6.709 -2.861 -16.308 1.00 0.00 H new ATOM 0 HE2 PHE A 112 4.496 -0.636 -19.139 1.00 0.00 H new ATOM 0 HZ PHE A 112 6.634 -1.245 -18.133 1.00 0.00 H new ATOM 900 N ASN A 113 2.285 -6.543 -17.919 1.00 0.00 N ATOM 901 CA ASN A 113 2.902 -7.225 -19.044 1.00 0.00 C ATOM 902 C ASN A 113 3.772 -6.236 -19.821 1.00 0.00 C ATOM 903 O ASN A 113 4.916 -6.541 -20.156 1.00 0.00 O ATOM 904 CB ASN A 113 1.842 -7.775 -20.002 1.00 0.00 C ATOM 905 CG ASN A 113 0.820 -8.633 -19.254 1.00 0.00 C ATOM 906 OD1 ASN A 113 1.099 -9.737 -18.815 1.00 0.00 O ATOM 907 ND2 ASN A 113 -0.378 -8.066 -19.132 1.00 0.00 N ATOM 0 H ASN A 113 1.335 -6.847 -17.704 1.00 0.00 H new ATOM 0 HA ASN A 113 3.499 -8.049 -18.653 1.00 0.00 H new ATOM 0 HB2 ASN A 113 1.334 -6.950 -20.501 1.00 0.00 H new ATOM 0 HB3 ASN A 113 2.322 -8.370 -20.779 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -1.128 -8.559 -18.648 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -0.546 -7.139 -19.523 1.00 0.00 H new ATOM 908 N LYS A 114 3.199 -5.071 -20.085 1.00 0.00 N ATOM 909 CA LYS A 114 3.909 -4.035 -20.815 1.00 0.00 C ATOM 910 C LYS A 114 2.966 -2.857 -21.067 1.00 0.00 C ATOM 911 O LYS A 114 3.012 -1.856 -20.355 1.00 0.00 O ATOM 912 CB LYS A 114 4.530 -4.610 -22.090 1.00 0.00 C ATOM 913 CG LYS A 114 6.025 -4.293 -22.163 1.00 0.00 C ATOM 914 CD LYS A 114 6.798 -5.444 -22.810 1.00 0.00 C ATOM 915 CE LYS A 114 7.831 -6.023 -21.842 1.00 0.00 C ATOM 916 NZ LYS A 114 7.425 -7.375 -21.398 1.00 0.00 N ATOM 0 H LYS A 114 2.250 -4.822 -19.806 1.00 0.00 H new ATOM 0 HA LYS A 114 4.743 -3.655 -20.225 1.00 0.00 H new ATOM 0 HB2 LYS A 114 4.382 -5.690 -22.116 1.00 0.00 H new ATOM 0 HB3 LYS A 114 4.024 -4.198 -22.963 1.00 0.00 H new ATOM 0 HG2 LYS A 114 6.179 -3.379 -22.736 1.00 0.00 H new ATOM 0 HG3 LYS A 114 6.411 -4.109 -21.160 1.00 0.00 H new ATOM 0 HD2 LYS A 114 6.103 -6.226 -23.117 1.00 0.00 H new ATOM 0 HD3 LYS A 114 7.298 -5.090 -23.712 1.00 0.00 H new ATOM 0 HE2 LYS A 114 8.806 -6.071 -22.327 1.00 0.00 H new ATOM 0 HE3 LYS A 114 7.937 -5.367 -20.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 8.146 -7.760 -20.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 6.513 -7.318 -20.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 7.331 -7.998 -22.225 1.00 0.00 H new ATOM 917 N LYS A 115 2.131 -3.015 -22.085 1.00 0.00 N ATOM 918 CA LYS A 115 1.179 -1.978 -22.440 1.00 0.00 C ATOM 919 C LYS A 115 0.495 -2.348 -23.757 1.00 0.00 C ATOM 920 O LYS A 115 1.019 -2.067 -24.833 1.00 0.00 O ATOM 921 CB LYS A 115 1.862 -0.610 -22.466 1.00 0.00 C ATOM 922 CG LYS A 115 1.192 0.357 -21.486 1.00 0.00 C ATOM 923 CD LYS A 115 2.219 1.303 -20.861 1.00 0.00 C ATOM 924 CE LYS A 115 1.536 2.537 -20.265 1.00 0.00 C ATOM 925 NZ LYS A 115 1.497 2.445 -18.788 1.00 0.00 N ATOM 0 H LYS A 115 2.095 -3.847 -22.675 1.00 0.00 H new ATOM 0 HA LYS A 115 0.397 -1.904 -21.684 1.00 0.00 H new ATOM 0 HB2 LYS A 115 2.916 -0.721 -22.210 1.00 0.00 H new ATOM 0 HB3 LYS A 115 1.821 -0.198 -23.474 1.00 0.00 H new ATOM 0 HG2 LYS A 115 0.428 0.936 -22.005 1.00 0.00 H new ATOM 0 HG3 LYS A 115 0.687 -0.207 -20.702 1.00 0.00 H new ATOM 0 HD2 LYS A 115 2.775 0.779 -20.083 1.00 0.00 H new ATOM 0 HD3 LYS A 115 2.941 1.612 -21.617 1.00 0.00 H new ATOM 0 HE2 LYS A 115 2.072 3.437 -20.565 1.00 0.00 H new ATOM 0 HE3 LYS A 115 0.523 2.624 -20.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 1.204 3.361 -18.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 0.817 1.711 -18.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 2.442 2.199 -18.430 1.00 0.00 H new ATOM 926 N ILE A 116 -0.667 -2.973 -23.629 1.00 0.00 N ATOM 927 CA ILE A 116 -1.428 -3.386 -24.797 1.00 0.00 C ATOM 928 C ILE A 116 -1.283 -2.328 -25.893 1.00 0.00 C ATOM 929 O ILE A 116 -1.216 -1.134 -25.604 1.00 0.00 O ATOM 930 CB ILE A 116 -2.880 -3.679 -24.413 1.00 0.00 C ATOM 931 CG1 ILE A 116 -3.200 -5.166 -24.578 1.00 0.00 C ATOM 932 CG2 ILE A 116 -3.845 -2.793 -25.202 1.00 0.00 C ATOM 933 CD1 ILE A 116 -4.048 -5.408 -25.829 1.00 0.00 C ATOM 0 H ILE A 116 -1.100 -3.203 -22.735 1.00 0.00 H new ATOM 0 HA ILE A 116 -1.034 -4.319 -25.199 1.00 0.00 H new ATOM 0 HB ILE A 116 -3.011 -3.437 -23.358 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -2.273 -5.736 -24.646 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -3.732 -5.527 -23.698 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -4.870 -3.021 -24.910 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -3.632 -1.745 -24.990 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -3.721 -2.980 -26.269 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -4.262 -6.473 -25.923 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -4.984 -4.856 -25.746 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -3.503 -5.068 -26.709 1.00 0.00 H new ATOM 934 N LYS A 117 -1.239 -2.805 -27.128 1.00 0.00 N ATOM 935 CA LYS A 117 -1.104 -1.917 -28.270 1.00 0.00 C ATOM 936 C LYS A 117 -2.295 -0.957 -28.307 1.00 0.00 C ATOM 937 O LYS A 117 -2.883 -0.650 -27.271 1.00 0.00 O ATOM 938 CB LYS A 117 -0.921 -2.722 -29.557 1.00 0.00 C ATOM 939 CG LYS A 117 -0.915 -1.805 -30.782 1.00 0.00 C ATOM 940 CD LYS A 117 -0.835 -2.617 -32.076 1.00 0.00 C ATOM 941 CE LYS A 117 0.420 -2.256 -32.872 1.00 0.00 C ATOM 942 NZ LYS A 117 0.142 -2.301 -34.325 1.00 0.00 N ATOM 0 H LYS A 117 -1.295 -3.796 -27.363 1.00 0.00 H new ATOM 0 HA LYS A 117 -0.206 -1.307 -28.175 1.00 0.00 H new ATOM 0 HB2 LYS A 117 0.014 -3.280 -29.511 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -1.724 -3.453 -29.650 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -1.818 -1.194 -30.787 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -0.068 -1.122 -30.725 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -0.828 -3.682 -31.842 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -1.721 -2.430 -32.682 1.00 0.00 H new ATOM 0 HE2 LYS A 117 0.762 -1.260 -32.592 1.00 0.00 H new ATOM 0 HE3 LYS A 117 1.225 -2.949 -32.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 1.004 -2.053 -34.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -0.163 -3.259 -34.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -0.611 -1.622 -34.556 1.00 0.00 H new TER 943 LYS A 117