USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 857 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot 179:sc= 0.00195 USER MOD Single : A 7 ASN : amide:sc= -0.106 K(o=-0.11,f=-1.8!) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 ASN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 16 GLN : amide:sc= -0.0115 X(o=-0.011,f=-0.24) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -1.3 K(o=-1.3,f=-9.4!) USER MOD Single : A 23 LYS NZ :NH3+ -158:sc= -3.64! (180deg=-4.48!) USER MOD Single : A 27 GLN :FLIP amide:sc= -0.317 F(o=-0.87,f=-0.32) USER MOD Single : A 32 ASN : amide:sc= -0.119 K(o=-0.12,f=-1.6!) USER MOD Single : A 33 TYR OH : rot 140:sc= -1.24 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.47 K(o=-0.47,f=-3.7!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.744 K(o=-0.74,f=-5.7!) USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc=-0.00548 X(o=-0.0055,f=0) USER MOD Single : A 84 ASN : amide:sc= -2.41! C(o=-2.4!,f=-7.2!) USER MOD Single : A 89 MET CE :methyl -125:sc= -3.75! (180deg=-5.68!) USER MOD Single : A 92 LYS NZ :NH3+ -125:sc= 0 (180deg=-0.0491) USER MOD Single : A 93 SER OG : rot 77:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -1.24! C(o=-1.2!,f=-1.3!) USER MOD Single : A 100 ASN : amide:sc= -1.14 K(o=-1.1,f=-4.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.126 -12.180 4.178 1.00 0.00 N ATOM 2 CA MET A 1 -6.947 -13.033 4.510 1.00 0.00 C ATOM 3 C MET A 1 -5.676 -12.439 3.893 1.00 0.00 C ATOM 4 O MET A 1 -4.660 -12.309 4.547 1.00 0.00 O ATOM 5 CB MET A 1 -7.257 -14.401 3.900 1.00 0.00 C ATOM 6 CG MET A 1 -6.317 -15.451 4.495 1.00 0.00 C ATOM 7 SD MET A 1 -6.875 -15.887 6.161 1.00 0.00 S ATOM 8 CE MET A 1 -5.312 -16.587 6.748 1.00 0.00 C ATOM 0 H1 MET A 1 -8.982 -12.592 4.601 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.979 -11.222 4.556 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.239 -12.131 3.145 1.00 0.00 H new ATOM 0 HA MET A 1 -6.776 -13.101 5.584 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.294 -14.672 4.098 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.138 -14.363 2.817 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.299 -16.338 3.862 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.299 -15.064 4.531 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.429 -16.927 7.777 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.031 -17.430 6.117 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.533 -15.826 6.704 1.00 0.00 H new ATOM 20 N ARG A 2 -5.724 -12.076 2.640 1.00 0.00 N ATOM 21 CA ARG A 2 -4.517 -11.490 1.987 1.00 0.00 C ATOM 22 C ARG A 2 -4.386 -10.006 2.356 1.00 0.00 C ATOM 23 O ARG A 2 -5.312 -9.400 2.857 1.00 0.00 O ATOM 24 CB ARG A 2 -4.758 -11.655 0.486 1.00 0.00 C ATOM 25 CG ARG A 2 -4.386 -13.077 0.062 1.00 0.00 C ATOM 26 CD ARG A 2 -5.604 -13.992 0.211 1.00 0.00 C ATOM 27 NE ARG A 2 -5.399 -15.070 -0.795 1.00 0.00 N ATOM 28 CZ ARG A 2 -4.467 -15.964 -0.612 1.00 0.00 C ATOM 29 NH1 ARG A 2 -4.348 -16.554 0.545 1.00 0.00 N ATOM 30 NH2 ARG A 2 -3.652 -16.266 -1.586 1.00 0.00 N ATOM 0 H ARG A 2 -6.545 -12.159 2.041 1.00 0.00 H new ATOM 0 HA ARG A 2 -3.595 -11.978 2.305 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -5.804 -11.456 0.251 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -4.163 -10.931 -0.070 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -4.040 -13.080 -0.972 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -3.564 -13.447 0.675 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -5.670 -14.400 1.219 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -6.531 -13.449 0.025 1.00 0.00 H new ATOM 0 HE ARG A 2 -5.987 -15.110 -1.627 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -4.984 -16.316 1.306 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -3.619 -17.253 0.688 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -3.744 -15.803 -2.490 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -2.923 -16.965 -1.443 1.00 0.00 H new ATOM 44 N ARG A 3 -3.242 -9.420 2.119 1.00 0.00 N ATOM 45 CA ARG A 3 -3.058 -7.980 2.467 1.00 0.00 C ATOM 46 C ARG A 3 -3.022 -7.119 1.201 1.00 0.00 C ATOM 47 O ARG A 3 -2.412 -7.477 0.213 1.00 0.00 O ATOM 48 CB ARG A 3 -1.712 -7.917 3.192 1.00 0.00 C ATOM 49 CG ARG A 3 -1.870 -8.461 4.613 1.00 0.00 C ATOM 50 CD ARG A 3 -1.191 -9.828 4.714 1.00 0.00 C ATOM 51 NE ARG A 3 -2.310 -10.808 4.792 1.00 0.00 N ATOM 52 CZ ARG A 3 -2.298 -11.741 5.703 1.00 0.00 C ATOM 53 NH1 ARG A 3 -1.452 -12.731 5.613 1.00 0.00 N ATOM 54 NH2 ARG A 3 -3.130 -11.684 6.707 1.00 0.00 N ATOM 0 H ARG A 3 -2.430 -9.874 1.701 1.00 0.00 H new ATOM 0 HA ARG A 3 -3.875 -7.601 3.081 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -0.967 -8.499 2.649 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -1.352 -6.889 3.223 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -1.428 -7.769 5.330 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -2.927 -8.548 4.865 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -0.558 -10.020 3.848 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -0.552 -9.887 5.595 1.00 0.00 H new ATOM 0 HE ARG A 3 -3.086 -10.749 4.133 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -0.800 -12.775 4.830 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -1.443 -13.461 6.326 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -3.790 -10.910 6.779 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -3.120 -12.414 7.419 1.00 0.00 H new ATOM 68 N TYR A 4 -3.668 -5.982 1.222 1.00 0.00 N ATOM 69 CA TYR A 4 -3.665 -5.103 0.025 1.00 0.00 C ATOM 70 C TYR A 4 -3.306 -3.676 0.426 1.00 0.00 C ATOM 71 O TYR A 4 -3.333 -3.318 1.586 1.00 0.00 O ATOM 72 CB TYR A 4 -5.089 -5.150 -0.510 1.00 0.00 C ATOM 73 CG TYR A 4 -5.419 -6.551 -0.966 1.00 0.00 C ATOM 74 CD1 TYR A 4 -5.735 -7.540 -0.027 1.00 0.00 C ATOM 75 CD2 TYR A 4 -5.411 -6.858 -2.330 1.00 0.00 C ATOM 76 CE1 TYR A 4 -6.042 -8.837 -0.454 1.00 0.00 C ATOM 77 CE2 TYR A 4 -5.718 -8.154 -2.758 1.00 0.00 C ATOM 78 CZ TYR A 4 -6.033 -9.144 -1.821 1.00 0.00 C ATOM 79 OH TYR A 4 -6.337 -10.423 -2.243 1.00 0.00 O ATOM 0 H TYR A 4 -4.197 -5.628 2.019 1.00 0.00 H new ATOM 0 HA TYR A 4 -2.937 -5.427 -0.719 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -5.789 -4.836 0.265 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -5.198 -4.452 -1.340 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -5.742 -7.302 1.026 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -5.168 -6.094 -3.054 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -6.286 -9.601 0.270 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -5.712 -8.390 -3.812 1.00 0.00 H new ATOM 0 HH TYR A 4 -6.302 -10.462 -3.222 1.00 0.00 H new ATOM 89 N GLU A 5 -2.976 -2.857 -0.526 1.00 0.00 N ATOM 90 CA GLU A 5 -2.622 -1.450 -0.200 1.00 0.00 C ATOM 91 C GLU A 5 -3.663 -0.498 -0.790 1.00 0.00 C ATOM 92 O GLU A 5 -4.067 -0.628 -1.928 1.00 0.00 O ATOM 93 CB GLU A 5 -1.257 -1.225 -0.851 1.00 0.00 C ATOM 94 CG GLU A 5 -1.405 -1.241 -2.373 1.00 0.00 C ATOM 95 CD GLU A 5 -0.204 -1.957 -2.994 1.00 0.00 C ATOM 96 OE1 GLU A 5 0.911 -1.637 -2.617 1.00 0.00 O ATOM 97 OE2 GLU A 5 -0.420 -2.813 -3.836 1.00 0.00 O ATOM 0 H GLU A 5 -2.935 -3.099 -1.516 1.00 0.00 H new ATOM 0 HA GLU A 5 -2.595 -1.266 0.874 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -0.841 -0.271 -0.526 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -0.560 -2.001 -0.535 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -2.329 -1.747 -2.654 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -1.471 -0.222 -2.754 1.00 0.00 H new ATOM 104 N VAL A 6 -4.098 0.461 -0.022 1.00 0.00 N ATOM 105 CA VAL A 6 -5.111 1.427 -0.537 1.00 0.00 C ATOM 106 C VAL A 6 -4.415 2.705 -1.011 1.00 0.00 C ATOM 107 O VAL A 6 -3.815 3.416 -0.234 1.00 0.00 O ATOM 108 CB VAL A 6 -6.023 1.720 0.657 1.00 0.00 C ATOM 109 CG1 VAL A 6 -7.016 2.824 0.286 1.00 0.00 C ATOM 110 CG2 VAL A 6 -6.792 0.453 1.034 1.00 0.00 C ATOM 0 H VAL A 6 -3.797 0.619 0.940 1.00 0.00 H new ATOM 0 HA VAL A 6 -5.671 1.033 -1.385 1.00 0.00 H new ATOM 0 HB VAL A 6 -5.417 2.045 1.503 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -7.664 3.031 1.137 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -6.471 3.728 0.017 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -7.621 2.500 -0.561 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -7.442 0.661 1.884 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -7.396 0.128 0.187 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -6.087 -0.335 1.300 1.00 0.00 H new ATOM 120 N ASN A 7 -4.484 3.001 -2.279 1.00 0.00 N ATOM 121 CA ASN A 7 -3.816 4.234 -2.785 1.00 0.00 C ATOM 122 C ASN A 7 -4.858 5.263 -3.228 1.00 0.00 C ATOM 123 O ASN A 7 -5.426 5.169 -4.298 1.00 0.00 O ATOM 124 CB ASN A 7 -2.973 3.771 -3.974 1.00 0.00 C ATOM 125 CG ASN A 7 -1.544 3.495 -3.503 1.00 0.00 C ATOM 126 OD1 ASN A 7 -1.290 3.398 -2.319 1.00 0.00 O ATOM 127 ND2 ASN A 7 -0.592 3.368 -4.387 1.00 0.00 N ATOM 0 H ASN A 7 -4.971 2.447 -2.984 1.00 0.00 H new ATOM 0 HA ASN A 7 -3.208 4.715 -2.019 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -3.404 2.871 -4.412 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -2.971 4.534 -4.752 1.00 0.00 H new ATOM 0 HD21 ASN A 7 0.365 3.187 -4.084 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -0.805 3.449 -5.381 1.00 0.00 H new ATOM 134 N ILE A 8 -5.110 6.248 -2.410 1.00 0.00 N ATOM 135 CA ILE A 8 -6.113 7.290 -2.776 1.00 0.00 C ATOM 136 C ILE A 8 -5.446 8.668 -2.809 1.00 0.00 C ATOM 137 O ILE A 8 -4.655 9.005 -1.950 1.00 0.00 O ATOM 138 CB ILE A 8 -7.168 7.231 -1.673 1.00 0.00 C ATOM 139 CG1 ILE A 8 -7.977 5.937 -1.810 1.00 0.00 C ATOM 140 CG2 ILE A 8 -8.105 8.433 -1.798 1.00 0.00 C ATOM 141 CD1 ILE A 8 -8.876 5.762 -0.584 1.00 0.00 C ATOM 0 H ILE A 8 -4.664 6.377 -1.502 1.00 0.00 H new ATOM 0 HA ILE A 8 -6.548 7.120 -3.761 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.678 7.253 -0.700 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -8.582 5.969 -2.716 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -7.305 5.084 -1.905 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -8.858 8.391 -1.011 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -7.530 9.354 -1.701 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -8.596 8.412 -2.771 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -9.451 4.841 -0.683 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -8.261 5.711 0.314 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -9.558 6.609 -0.509 1.00 0.00 H new ATOM 153 N VAL A 9 -5.754 9.466 -3.796 1.00 0.00 N ATOM 154 CA VAL A 9 -5.131 10.818 -3.877 1.00 0.00 C ATOM 155 C VAL A 9 -6.169 11.899 -3.561 1.00 0.00 C ATOM 156 O VAL A 9 -7.205 11.980 -4.189 1.00 0.00 O ATOM 157 CB VAL A 9 -4.641 10.942 -5.321 1.00 0.00 C ATOM 158 CG1 VAL A 9 -5.832 11.169 -6.252 1.00 0.00 C ATOM 159 CG2 VAL A 9 -3.678 12.125 -5.431 1.00 0.00 C ATOM 0 H VAL A 9 -6.407 9.241 -4.546 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.319 10.944 -3.161 1.00 0.00 H new ATOM 0 HB VAL A 9 -4.128 10.024 -5.608 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.479 11.257 -7.280 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.520 10.327 -6.175 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.348 12.086 -5.966 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.328 12.215 -6.459 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.193 13.041 -5.142 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.826 11.963 -4.771 1.00 0.00 H new ATOM 169 N LEU A 10 -5.900 12.727 -2.588 1.00 0.00 N ATOM 170 CA LEU A 10 -6.873 13.799 -2.230 1.00 0.00 C ATOM 171 C LEU A 10 -6.390 15.154 -2.755 1.00 0.00 C ATOM 172 O LEU A 10 -5.215 15.358 -2.986 1.00 0.00 O ATOM 173 CB LEU A 10 -6.911 13.804 -0.702 1.00 0.00 C ATOM 174 CG LEU A 10 -7.585 12.527 -0.202 1.00 0.00 C ATOM 175 CD1 LEU A 10 -7.746 12.598 1.318 1.00 0.00 C ATOM 176 CD2 LEU A 10 -8.962 12.389 -0.854 1.00 0.00 C ATOM 0 H LEU A 10 -5.049 12.708 -2.026 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.857 13.622 -2.665 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.899 13.873 -0.303 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -7.455 14.678 -0.345 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.971 11.665 -0.463 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -8.227 11.688 1.676 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -6.765 12.698 1.783 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -8.361 13.459 1.579 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -9.444 11.478 -0.498 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -9.576 13.250 -0.592 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -8.849 12.340 -1.937 1.00 0.00 H new ATOM 188 N ASN A 11 -7.289 16.084 -2.937 1.00 0.00 N ATOM 189 CA ASN A 11 -6.881 17.427 -3.439 1.00 0.00 C ATOM 190 C ASN A 11 -6.612 18.366 -2.257 1.00 0.00 C ATOM 191 O ASN A 11 -7.472 18.576 -1.425 1.00 0.00 O ATOM 192 CB ASN A 11 -8.073 17.923 -4.259 1.00 0.00 C ATOM 193 CG ASN A 11 -7.783 17.727 -5.747 1.00 0.00 C ATOM 194 OD1 ASN A 11 -8.055 16.679 -6.298 1.00 0.00 O ATOM 195 ND2 ASN A 11 -7.238 18.700 -6.427 1.00 0.00 N ATOM 0 H ASN A 11 -8.287 15.971 -2.760 1.00 0.00 H new ATOM 0 HA ASN A 11 -5.968 17.390 -4.033 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -8.974 17.378 -3.978 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -8.260 18.976 -4.049 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -7.041 18.580 -7.421 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -7.010 19.580 -5.964 1.00 0.00 H new ATOM 202 N PRO A 12 -5.419 18.899 -2.221 1.00 0.00 N ATOM 203 CA PRO A 12 -5.028 19.821 -1.131 1.00 0.00 C ATOM 204 C PRO A 12 -5.562 21.227 -1.401 1.00 0.00 C ATOM 205 O PRO A 12 -4.854 22.207 -1.281 1.00 0.00 O ATOM 206 CB PRO A 12 -3.505 19.802 -1.177 1.00 0.00 C ATOM 207 CG PRO A 12 -3.155 19.428 -2.587 1.00 0.00 C ATOM 208 CD PRO A 12 -4.334 18.691 -3.180 1.00 0.00 C ATOM 0 HA PRO A 12 -5.425 19.528 -0.159 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -3.092 20.776 -0.914 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -3.099 19.081 -0.467 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -2.929 20.319 -3.173 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -2.264 18.800 -2.605 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -4.593 19.084 -4.163 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -4.115 17.631 -3.308 1.00 0.00 H new ATOM 216 N ASN A 13 -6.807 21.332 -1.758 1.00 0.00 N ATOM 217 CA ASN A 13 -7.393 22.675 -2.030 1.00 0.00 C ATOM 218 C ASN A 13 -7.491 23.473 -0.729 1.00 0.00 C ATOM 219 O ASN A 13 -7.333 24.678 -0.712 1.00 0.00 O ATOM 220 CB ASN A 13 -8.786 22.395 -2.593 1.00 0.00 C ATOM 221 CG ASN A 13 -9.501 23.719 -2.869 1.00 0.00 C ATOM 222 OD1 ASN A 13 -8.797 24.779 -3.159 1.00 0.00 O flip ATOM 223 ND2 ASN A 13 -10.713 23.790 -2.820 1.00 0.00 N flip ATOM 0 H ASN A 13 -7.448 20.547 -1.874 1.00 0.00 H new ATOM 0 HA ASN A 13 -6.787 23.260 -2.722 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -8.708 21.813 -3.511 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -9.363 21.799 -1.886 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -11.264 22.962 -2.593 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -11.180 24.678 -3.005 1.00 0.00 H new ATOM 230 N LEU A 14 -7.749 22.808 0.362 1.00 0.00 N ATOM 231 CA LEU A 14 -7.857 23.520 1.666 1.00 0.00 C ATOM 232 C LEU A 14 -6.463 23.818 2.223 1.00 0.00 C ATOM 233 O LEU A 14 -5.477 23.249 1.796 1.00 0.00 O ATOM 234 CB LEU A 14 -8.609 22.548 2.578 1.00 0.00 C ATOM 235 CG LEU A 14 -10.036 23.054 2.819 1.00 0.00 C ATOM 236 CD1 LEU A 14 -10.627 23.594 1.512 1.00 0.00 C ATOM 237 CD2 LEU A 14 -10.902 21.897 3.322 1.00 0.00 C ATOM 0 H LEU A 14 -7.890 21.799 0.407 1.00 0.00 H new ATOM 0 HA LEU A 14 -8.370 24.478 1.578 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -8.637 21.558 2.124 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -8.084 22.448 3.528 1.00 0.00 H new ATOM 0 HG LEU A 14 -10.013 23.853 3.560 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -11.641 23.952 1.692 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -10.012 24.416 1.147 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -10.649 22.799 0.767 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -11.918 22.252 3.495 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -10.917 21.103 2.576 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -10.489 21.512 4.254 1.00 0.00 H new ATOM 249 N ASP A 15 -6.373 24.707 3.173 1.00 0.00 N ATOM 250 CA ASP A 15 -5.042 25.044 3.755 1.00 0.00 C ATOM 251 C ASP A 15 -4.601 23.950 4.731 1.00 0.00 C ATOM 252 O ASP A 15 -5.246 22.930 4.866 1.00 0.00 O ATOM 253 CB ASP A 15 -5.254 26.368 4.490 1.00 0.00 C ATOM 254 CG ASP A 15 -6.437 26.235 5.450 1.00 0.00 C ATOM 255 OD1 ASP A 15 -6.690 25.129 5.898 1.00 0.00 O ATOM 256 OD2 ASP A 15 -7.070 27.243 5.722 1.00 0.00 O ATOM 0 H ASP A 15 -7.163 25.215 3.572 1.00 0.00 H new ATOM 0 HA ASP A 15 -4.265 25.122 2.994 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -4.353 26.638 5.041 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -5.441 27.168 3.774 1.00 0.00 H new ATOM 261 N GLN A 16 -3.506 24.152 5.410 1.00 0.00 N ATOM 262 CA GLN A 16 -3.028 23.118 6.372 1.00 0.00 C ATOM 263 C GLN A 16 -4.060 22.914 7.482 1.00 0.00 C ATOM 264 O GLN A 16 -4.425 21.802 7.807 1.00 0.00 O ATOM 265 CB GLN A 16 -1.727 23.681 6.946 1.00 0.00 C ATOM 266 CG GLN A 16 -0.854 24.210 5.806 1.00 0.00 C ATOM 267 CD GLN A 16 0.604 23.822 6.054 1.00 0.00 C ATOM 268 OE1 GLN A 16 1.081 23.886 7.169 1.00 0.00 O ATOM 269 NE2 GLN A 16 1.338 23.420 5.053 1.00 0.00 N ATOM 0 H GLN A 16 -2.922 24.986 5.341 1.00 0.00 H new ATOM 0 HA GLN A 16 -2.877 22.149 5.896 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -1.945 24.481 7.653 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -1.194 22.906 7.497 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -1.193 23.800 4.855 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -0.946 25.294 5.737 1.00 0.00 H new ATOM 0 HE21 GLN A 16 0.938 23.366 4.116 1.00 0.00 H new ATOM 0 HE22 GLN A 16 2.312 23.160 5.207 1.00 0.00 H new ATOM 278 N SER A 17 -4.532 23.979 8.066 1.00 0.00 N ATOM 279 CA SER A 17 -5.538 23.846 9.154 1.00 0.00 C ATOM 280 C SER A 17 -6.753 23.056 8.661 1.00 0.00 C ATOM 281 O SER A 17 -7.231 22.157 9.324 1.00 0.00 O ATOM 282 CB SER A 17 -5.935 25.279 9.502 1.00 0.00 C ATOM 283 OG SER A 17 -5.041 25.789 10.483 1.00 0.00 O ATOM 0 H SER A 17 -4.264 24.936 7.836 1.00 0.00 H new ATOM 0 HA SER A 17 -5.143 23.311 10.018 1.00 0.00 H new ATOM 0 HB2 SER A 17 -5.908 25.903 8.609 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.958 25.304 9.877 1.00 0.00 H new ATOM 0 HG SER A 17 -5.292 26.709 10.707 1.00 0.00 H new ATOM 289 N GLN A 18 -7.254 23.383 7.502 1.00 0.00 N ATOM 290 CA GLN A 18 -8.435 22.648 6.967 1.00 0.00 C ATOM 291 C GLN A 18 -8.064 21.185 6.717 1.00 0.00 C ATOM 292 O GLN A 18 -8.798 20.279 7.059 1.00 0.00 O ATOM 293 CB GLN A 18 -8.776 23.348 5.652 1.00 0.00 C ATOM 294 CG GLN A 18 -9.511 24.658 5.945 1.00 0.00 C ATOM 295 CD GLN A 18 -10.999 24.374 6.151 1.00 0.00 C ATOM 296 OE1 GLN A 18 -11.639 23.779 5.307 1.00 0.00 O ATOM 297 NE2 GLN A 18 -11.582 24.776 7.248 1.00 0.00 N ATOM 0 H GLN A 18 -6.897 24.127 6.902 1.00 0.00 H new ATOM 0 HA GLN A 18 -9.278 22.653 7.658 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -7.865 23.548 5.088 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -9.398 22.700 5.034 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -9.094 25.130 6.834 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -9.374 25.356 5.119 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -11.045 25.276 7.957 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -12.574 24.590 7.396 1.00 0.00 H new ATOM 306 N LEU A 19 -6.927 20.951 6.123 1.00 0.00 N ATOM 307 CA LEU A 19 -6.500 19.551 5.849 1.00 0.00 C ATOM 308 C LEU A 19 -6.477 18.742 7.148 1.00 0.00 C ATOM 309 O LEU A 19 -6.800 17.570 7.166 1.00 0.00 O ATOM 310 CB LEU A 19 -5.091 19.677 5.269 1.00 0.00 C ATOM 311 CG LEU A 19 -4.572 18.293 4.879 1.00 0.00 C ATOM 312 CD1 LEU A 19 -4.676 18.115 3.363 1.00 0.00 C ATOM 313 CD2 LEU A 19 -3.108 18.160 5.306 1.00 0.00 C ATOM 0 H LEU A 19 -6.274 21.671 5.815 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.177 19.036 5.168 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.103 20.331 4.397 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.425 20.133 6.001 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.169 17.529 5.376 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.306 17.128 3.086 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.717 18.211 3.056 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.079 18.879 2.865 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.736 17.174 5.029 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.513 18.925 4.808 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.031 18.286 6.386 1.00 0.00 H new ATOM 325 N ALA A 20 -6.097 19.355 8.237 1.00 0.00 N ATOM 326 CA ALA A 20 -6.055 18.619 9.527 1.00 0.00 C ATOM 327 C ALA A 20 -7.456 18.132 9.904 1.00 0.00 C ATOM 328 O ALA A 20 -7.632 17.037 10.401 1.00 0.00 O ATOM 329 CB ALA A 20 -5.547 19.635 10.550 1.00 0.00 C ATOM 0 H ALA A 20 -5.814 20.334 8.286 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.415 17.738 9.477 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.488 19.165 11.532 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -4.557 19.984 10.255 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -6.232 20.481 10.593 1.00 0.00 H new ATOM 335 N LEU A 21 -8.454 18.940 9.676 1.00 0.00 N ATOM 336 CA LEU A 21 -9.839 18.532 10.024 1.00 0.00 C ATOM 337 C LEU A 21 -10.290 17.365 9.136 1.00 0.00 C ATOM 338 O LEU A 21 -11.102 16.551 9.528 1.00 0.00 O ATOM 339 CB LEU A 21 -10.691 19.795 9.797 1.00 0.00 C ATOM 340 CG LEU A 21 -11.392 19.748 8.434 1.00 0.00 C ATOM 341 CD1 LEU A 21 -12.753 19.066 8.580 1.00 0.00 C ATOM 342 CD2 LEU A 21 -11.593 21.173 7.913 1.00 0.00 C ATOM 0 H LEU A 21 -8.367 19.868 9.262 1.00 0.00 H new ATOM 0 HA LEU A 21 -9.930 18.175 11.050 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -11.434 19.884 10.589 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -10.058 20.680 9.854 1.00 0.00 H new ATOM 0 HG LEU A 21 -10.777 19.186 7.732 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -13.250 19.034 7.610 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -12.613 18.050 8.950 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -13.368 19.627 9.284 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -12.091 21.139 6.944 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -12.207 21.735 8.617 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -10.624 21.661 7.806 1.00 0.00 H new ATOM 354 N GLU A 22 -9.764 17.279 7.946 1.00 0.00 N ATOM 355 CA GLU A 22 -10.160 16.162 7.035 1.00 0.00 C ATOM 356 C GLU A 22 -9.560 14.854 7.542 1.00 0.00 C ATOM 357 O GLU A 22 -10.153 13.799 7.434 1.00 0.00 O ATOM 358 CB GLU A 22 -9.579 16.514 5.660 1.00 0.00 C ATOM 359 CG GLU A 22 -9.695 18.018 5.413 1.00 0.00 C ATOM 360 CD GLU A 22 -9.632 18.297 3.910 1.00 0.00 C ATOM 361 OE1 GLU A 22 -10.217 17.532 3.161 1.00 0.00 O ATOM 362 OE2 GLU A 22 -9.001 19.272 3.535 1.00 0.00 O ATOM 0 H GLU A 22 -9.079 17.930 7.563 1.00 0.00 H new ATOM 0 HA GLU A 22 -11.242 16.037 6.988 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -8.534 16.208 5.608 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -10.110 15.967 4.881 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -10.632 18.393 5.824 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -8.889 18.544 5.925 1.00 0.00 H new ATOM 369 N LYS A 23 -8.383 14.917 8.100 1.00 0.00 N ATOM 370 CA LYS A 23 -7.741 13.678 8.622 1.00 0.00 C ATOM 371 C LYS A 23 -8.670 13.000 9.629 1.00 0.00 C ATOM 372 O LYS A 23 -8.741 11.790 9.709 1.00 0.00 O ATOM 373 CB LYS A 23 -6.459 14.153 9.310 1.00 0.00 C ATOM 374 CG LYS A 23 -5.243 13.550 8.601 1.00 0.00 C ATOM 375 CD LYS A 23 -5.308 13.872 7.106 1.00 0.00 C ATOM 376 CE LYS A 23 -4.326 15.001 6.784 1.00 0.00 C ATOM 377 NZ LYS A 23 -4.493 15.252 5.326 1.00 0.00 N ATOM 0 H LYS A 23 -7.838 15.772 8.217 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.532 12.953 7.835 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.404 15.241 9.287 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.466 13.856 10.359 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.324 13.950 9.030 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.221 12.470 8.750 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.064 12.985 6.521 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -6.321 14.167 6.830 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.548 15.895 7.366 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.302 14.713 7.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -3.640 15.716 4.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -4.639 14.348 4.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -5.317 15.868 5.172 1.00 0.00 H new ATOM 391 N GLU A 24 -9.386 13.776 10.395 1.00 0.00 N ATOM 392 CA GLU A 24 -10.318 13.181 11.396 1.00 0.00 C ATOM 393 C GLU A 24 -11.392 12.352 10.686 1.00 0.00 C ATOM 394 O GLU A 24 -11.845 11.344 11.191 1.00 0.00 O ATOM 395 CB GLU A 24 -10.948 14.376 12.112 1.00 0.00 C ATOM 396 CG GLU A 24 -12.083 13.889 13.016 1.00 0.00 C ATOM 397 CD GLU A 24 -13.399 13.899 12.236 1.00 0.00 C ATOM 398 OE1 GLU A 24 -13.389 14.344 11.101 1.00 0.00 O ATOM 399 OE2 GLU A 24 -14.395 13.463 12.790 1.00 0.00 O ATOM 0 H GLU A 24 -9.367 14.796 10.372 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.808 12.514 12.091 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.195 14.897 12.704 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.331 15.090 11.383 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -11.869 12.882 13.375 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -12.164 14.530 13.894 1.00 0.00 H new ATOM 406 N ILE A 25 -11.801 12.767 9.519 1.00 0.00 N ATOM 407 CA ILE A 25 -12.841 12.002 8.778 1.00 0.00 C ATOM 408 C ILE A 25 -12.294 10.635 8.360 1.00 0.00 C ATOM 409 O ILE A 25 -12.930 9.618 8.547 1.00 0.00 O ATOM 410 CB ILE A 25 -13.149 12.859 7.554 1.00 0.00 C ATOM 411 CG1 ILE A 25 -13.872 14.131 8.002 1.00 0.00 C ATOM 412 CG2 ILE A 25 -14.040 12.073 6.595 1.00 0.00 C ATOM 413 CD1 ILE A 25 -13.790 15.186 6.897 1.00 0.00 C ATOM 0 H ILE A 25 -11.459 13.604 9.047 1.00 0.00 H new ATOM 0 HA ILE A 25 -13.730 11.812 9.379 1.00 0.00 H new ATOM 0 HB ILE A 25 -12.222 13.125 7.047 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -14.915 13.908 8.229 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -13.422 14.514 8.918 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -14.261 12.684 5.720 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -13.525 11.164 6.282 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -14.971 11.809 7.097 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -14.306 16.091 7.219 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -12.745 15.418 6.692 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -14.261 14.802 5.992 1.00 0.00 H new ATOM 425 N ILE A 26 -11.116 10.604 7.800 1.00 0.00 N ATOM 426 CA ILE A 26 -10.528 9.300 7.377 1.00 0.00 C ATOM 427 C ILE A 26 -10.405 8.370 8.584 1.00 0.00 C ATOM 428 O ILE A 26 -10.752 7.207 8.523 1.00 0.00 O ATOM 429 CB ILE A 26 -9.143 9.645 6.836 1.00 0.00 C ATOM 430 CG1 ILE A 26 -9.286 10.446 5.539 1.00 0.00 C ATOM 431 CG2 ILE A 26 -8.370 8.354 6.556 1.00 0.00 C ATOM 432 CD1 ILE A 26 -9.959 9.577 4.477 1.00 0.00 C ATOM 0 H ILE A 26 -10.536 11.423 7.617 1.00 0.00 H new ATOM 0 HA ILE A 26 -11.142 8.791 6.634 1.00 0.00 H new ATOM 0 HB ILE A 26 -8.603 10.240 7.572 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -9.877 11.345 5.717 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -8.306 10.772 5.190 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.381 8.599 6.170 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -8.268 7.783 7.479 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -8.910 7.759 5.820 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -10.062 10.146 3.553 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -9.351 8.692 4.292 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -10.945 9.273 4.827 1.00 0.00 H new ATOM 444 N GLN A 27 -9.913 8.878 9.680 1.00 0.00 N ATOM 445 CA GLN A 27 -9.761 8.031 10.895 1.00 0.00 C ATOM 446 C GLN A 27 -11.102 7.395 11.261 1.00 0.00 C ATOM 447 O GLN A 27 -11.181 6.229 11.591 1.00 0.00 O ATOM 448 CB GLN A 27 -9.310 8.997 11.991 1.00 0.00 C ATOM 449 CG GLN A 27 -7.787 9.129 11.954 1.00 0.00 C ATOM 450 CD GLN A 27 -7.150 7.820 12.423 1.00 0.00 C ATOM 451 OE1 GLN A 27 -6.616 7.018 11.543 1.00 0.00 O flip ATOM 452 NE2 GLN A 27 -7.137 7.525 13.601 1.00 0.00 N flip ATOM 0 H GLN A 27 -9.609 9.846 9.786 1.00 0.00 H new ATOM 0 HA GLN A 27 -9.051 7.217 10.750 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -9.775 9.972 11.846 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -9.631 8.633 12.967 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -7.456 9.365 10.943 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -7.467 9.951 12.594 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -7.555 8.152 14.288 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -6.709 6.650 13.903 1.00 0.00 H new ATOM 461 N ARG A 28 -12.157 8.158 11.208 1.00 0.00 N ATOM 462 CA ARG A 28 -13.498 7.607 11.554 1.00 0.00 C ATOM 463 C ARG A 28 -14.019 6.686 10.445 1.00 0.00 C ATOM 464 O ARG A 28 -14.744 5.747 10.703 1.00 0.00 O ATOM 465 CB ARG A 28 -14.401 8.832 11.697 1.00 0.00 C ATOM 466 CG ARG A 28 -13.806 9.786 12.734 1.00 0.00 C ATOM 467 CD ARG A 28 -14.791 9.959 13.893 1.00 0.00 C ATOM 468 NE ARG A 28 -14.253 9.104 14.985 1.00 0.00 N ATOM 469 CZ ARG A 28 -15.062 8.358 15.688 1.00 0.00 C ATOM 470 NH1 ARG A 28 -15.470 7.212 15.216 1.00 0.00 N ATOM 471 NH2 ARG A 28 -15.463 8.759 16.861 1.00 0.00 N ATOM 0 H ARG A 28 -12.149 9.142 10.939 1.00 0.00 H new ATOM 0 HA ARG A 28 -13.465 7.006 12.463 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -14.500 9.338 10.737 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -15.402 8.526 12.001 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -12.859 9.394 13.103 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -13.594 10.752 12.276 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -14.856 11.002 14.204 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -15.796 9.648 13.607 1.00 0.00 H new ATOM 0 HE ARG A 28 -13.253 9.100 15.185 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -15.157 6.898 14.297 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -16.102 6.630 15.766 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -15.145 9.655 17.230 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -16.095 8.177 17.411 1.00 0.00 H new ATOM 485 N ALA A 29 -13.680 6.956 9.212 1.00 0.00 N ATOM 486 CA ALA A 29 -14.188 6.102 8.107 1.00 0.00 C ATOM 487 C ALA A 29 -13.520 4.731 8.118 1.00 0.00 C ATOM 488 O ALA A 29 -14.187 3.717 8.061 1.00 0.00 O ATOM 489 CB ALA A 29 -13.856 6.862 6.823 1.00 0.00 C ATOM 0 H ALA A 29 -13.077 7.727 8.927 1.00 0.00 H new ATOM 0 HA ALA A 29 -15.258 5.916 8.203 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -14.202 6.290 5.962 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -14.351 7.833 6.837 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -12.778 7.005 6.753 1.00 0.00 H new ATOM 495 N LEU A 30 -12.221 4.667 8.216 1.00 0.00 N ATOM 496 CA LEU A 30 -11.591 3.320 8.254 1.00 0.00 C ATOM 497 C LEU A 30 -12.250 2.552 9.391 1.00 0.00 C ATOM 498 O LEU A 30 -12.477 1.361 9.315 1.00 0.00 O ATOM 499 CB LEU A 30 -10.098 3.541 8.519 1.00 0.00 C ATOM 500 CG LEU A 30 -9.907 4.403 9.765 1.00 0.00 C ATOM 501 CD1 LEU A 30 -9.662 3.502 10.977 1.00 0.00 C ATOM 502 CD2 LEU A 30 -8.696 5.312 9.566 1.00 0.00 C ATOM 0 H LEU A 30 -11.586 5.463 8.270 1.00 0.00 H new ATOM 0 HA LEU A 30 -11.713 2.756 7.329 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -9.598 2.581 8.651 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -9.636 4.025 7.658 1.00 0.00 H new ATOM 0 HG LEU A 30 -10.800 5.005 9.931 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -9.526 4.117 11.866 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -10.518 2.843 11.120 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -8.767 2.903 10.810 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -8.555 5.930 10.453 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -7.807 4.703 9.403 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -8.861 5.953 8.700 1.00 0.00 H new ATOM 514 N GLU A 31 -12.587 3.254 10.438 1.00 0.00 N ATOM 515 CA GLU A 31 -13.269 2.615 11.585 1.00 0.00 C ATOM 516 C GLU A 31 -14.684 2.198 11.176 1.00 0.00 C ATOM 517 O GLU A 31 -15.201 1.196 11.629 1.00 0.00 O ATOM 518 CB GLU A 31 -13.322 3.692 12.669 1.00 0.00 C ATOM 519 CG GLU A 31 -11.935 3.864 13.291 1.00 0.00 C ATOM 520 CD GLU A 31 -11.451 2.518 13.833 1.00 0.00 C ATOM 521 OE1 GLU A 31 -11.751 2.219 14.977 1.00 0.00 O ATOM 522 OE2 GLU A 31 -10.789 1.807 13.094 1.00 0.00 O ATOM 0 H GLU A 31 -12.414 4.254 10.543 1.00 0.00 H new ATOM 0 HA GLU A 31 -12.753 1.719 11.931 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -13.659 4.636 12.241 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -14.044 3.414 13.437 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -11.235 4.242 12.546 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -11.973 4.600 14.094 1.00 0.00 H new ATOM 529 N ASN A 32 -15.324 2.967 10.326 1.00 0.00 N ATOM 530 CA ASN A 32 -16.703 2.615 9.906 1.00 0.00 C ATOM 531 C ASN A 32 -16.707 1.274 9.174 1.00 0.00 C ATOM 532 O ASN A 32 -17.546 0.428 9.409 1.00 0.00 O ATOM 533 CB ASN A 32 -17.131 3.739 8.962 1.00 0.00 C ATOM 534 CG ASN A 32 -18.656 3.745 8.839 1.00 0.00 C ATOM 535 OD1 ASN A 32 -19.277 2.702 8.780 1.00 0.00 O ATOM 536 ND2 ASN A 32 -19.290 4.885 8.800 1.00 0.00 N ATOM 0 H ASN A 32 -14.946 3.818 9.911 1.00 0.00 H new ATOM 0 HA ASN A 32 -17.379 2.516 10.756 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -16.782 4.700 9.340 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -16.676 3.598 7.981 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -20.307 4.901 8.720 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -18.769 5.760 8.850 1.00 0.00 H new ATOM 543 N TYR A 33 -15.777 1.078 8.283 1.00 0.00 N ATOM 544 CA TYR A 33 -15.715 -0.182 7.529 1.00 0.00 C ATOM 545 C TYR A 33 -15.150 -1.306 8.404 1.00 0.00 C ATOM 546 O TYR A 33 -14.974 -2.423 7.959 1.00 0.00 O ATOM 547 CB TYR A 33 -14.781 0.153 6.379 1.00 0.00 C ATOM 548 CG TYR A 33 -15.473 -0.129 5.071 1.00 0.00 C ATOM 549 CD1 TYR A 33 -15.577 -1.440 4.593 1.00 0.00 C ATOM 550 CD2 TYR A 33 -16.017 0.930 4.339 1.00 0.00 C ATOM 551 CE1 TYR A 33 -16.230 -1.690 3.380 1.00 0.00 C ATOM 552 CE2 TYR A 33 -16.667 0.682 3.127 1.00 0.00 C ATOM 553 CZ TYR A 33 -16.775 -0.629 2.646 1.00 0.00 C ATOM 554 OH TYR A 33 -17.418 -0.875 1.449 1.00 0.00 O ATOM 0 H TYR A 33 -15.050 1.754 8.049 1.00 0.00 H new ATOM 0 HA TYR A 33 -16.688 -0.538 7.191 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -14.487 1.202 6.429 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -13.868 -0.438 6.454 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -15.154 -2.257 5.159 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -15.935 1.941 4.710 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -16.313 -2.701 3.010 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -17.086 1.501 2.561 1.00 0.00 H new ATOM 0 HH TYR A 33 -18.212 -0.305 1.381 1.00 0.00 H new ATOM 564 N GLY A 34 -14.868 -1.019 9.646 1.00 0.00 N ATOM 565 CA GLY A 34 -14.323 -2.065 10.551 1.00 0.00 C ATOM 566 C GLY A 34 -13.073 -2.691 9.930 1.00 0.00 C ATOM 567 O GLY A 34 -12.950 -3.898 9.842 1.00 0.00 O ATOM 0 H GLY A 34 -14.993 -0.101 10.072 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -14.079 -1.629 11.520 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -15.076 -2.833 10.728 1.00 0.00 H new ATOM 571 N ALA A 35 -12.145 -1.882 9.501 1.00 0.00 N ATOM 572 CA ALA A 35 -10.900 -2.429 8.888 1.00 0.00 C ATOM 573 C ALA A 35 -9.699 -2.153 9.797 1.00 0.00 C ATOM 574 O ALA A 35 -9.567 -1.084 10.359 1.00 0.00 O ATOM 575 CB ALA A 35 -10.751 -1.685 7.560 1.00 0.00 C ATOM 0 H ALA A 35 -12.194 -0.864 9.548 1.00 0.00 H new ATOM 0 HA ALA A 35 -10.949 -3.509 8.746 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -9.854 -2.033 7.047 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -11.624 -1.877 6.936 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -10.669 -0.615 7.750 1.00 0.00 H new ATOM 581 N ARG A 36 -8.823 -3.110 9.947 1.00 0.00 N ATOM 582 CA ARG A 36 -7.631 -2.901 10.821 1.00 0.00 C ATOM 583 C ARG A 36 -6.365 -2.801 9.969 1.00 0.00 C ATOM 584 O ARG A 36 -6.189 -3.520 9.006 1.00 0.00 O ATOM 585 CB ARG A 36 -7.549 -4.127 11.727 1.00 0.00 C ATOM 586 CG ARG A 36 -8.955 -4.636 12.068 1.00 0.00 C ATOM 587 CD ARG A 36 -8.945 -5.276 13.459 1.00 0.00 C ATOM 588 NE ARG A 36 -10.382 -5.432 13.818 1.00 0.00 N ATOM 589 CZ ARG A 36 -10.729 -5.614 15.064 1.00 0.00 C ATOM 590 NH1 ARG A 36 -10.277 -4.814 15.991 1.00 0.00 N ATOM 591 NH2 ARG A 36 -11.527 -6.596 15.382 1.00 0.00 N ATOM 0 H ARG A 36 -8.880 -4.027 9.503 1.00 0.00 H new ATOM 0 HA ARG A 36 -7.718 -1.980 11.397 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -6.980 -4.915 11.233 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -7.015 -3.875 12.643 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -9.668 -3.812 12.041 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -9.280 -5.363 11.324 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -8.434 -6.239 13.448 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -8.423 -4.647 14.180 1.00 0.00 H new ATOM 0 HE ARG A 36 -11.096 -5.397 13.090 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -9.653 -4.047 15.742 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -10.548 -4.956 16.964 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -11.880 -7.221 14.658 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -11.798 -6.738 16.355 1.00 0.00 H new ATOM 605 N VAL A 37 -5.488 -1.909 10.321 1.00 0.00 N ATOM 606 CA VAL A 37 -4.224 -1.744 9.542 1.00 0.00 C ATOM 607 C VAL A 37 -3.080 -2.516 10.209 1.00 0.00 C ATOM 608 O VAL A 37 -2.719 -2.255 11.339 1.00 0.00 O ATOM 609 CB VAL A 37 -3.939 -0.242 9.565 1.00 0.00 C ATOM 610 CG1 VAL A 37 -3.959 0.259 11.009 1.00 0.00 C ATOM 611 CG2 VAL A 37 -2.561 0.026 8.954 1.00 0.00 C ATOM 0 H VAL A 37 -5.588 -1.281 11.119 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.315 -2.129 8.526 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.702 0.280 8.987 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -3.756 1.330 11.025 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -4.939 0.069 11.447 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.196 -0.264 11.586 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.358 1.097 8.970 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.799 -0.497 9.532 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.544 -0.331 7.924 1.00 0.00 H new ATOM 621 N GLU A 38 -2.506 -3.461 9.515 1.00 0.00 N ATOM 622 CA GLU A 38 -1.384 -4.245 10.107 1.00 0.00 C ATOM 623 C GLU A 38 -0.077 -3.454 10.001 1.00 0.00 C ATOM 624 O GLU A 38 0.850 -3.662 10.757 1.00 0.00 O ATOM 625 CB GLU A 38 -1.302 -5.519 9.267 1.00 0.00 C ATOM 626 CG GLU A 38 -2.659 -6.225 9.272 1.00 0.00 C ATOM 627 CD GLU A 38 -2.575 -7.486 10.134 1.00 0.00 C ATOM 628 OE1 GLU A 38 -2.016 -8.463 9.664 1.00 0.00 O ATOM 629 OE2 GLU A 38 -3.070 -7.453 11.248 1.00 0.00 O ATOM 0 H GLU A 38 -2.765 -3.724 8.564 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.545 -4.462 11.163 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.011 -5.275 8.245 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.534 -6.182 9.667 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -3.427 -5.556 9.661 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.949 -6.486 8.254 1.00 0.00 H new ATOM 636 N LYS A 39 0.002 -2.548 9.064 1.00 0.00 N ATOM 637 CA LYS A 39 1.250 -1.746 8.906 1.00 0.00 C ATOM 638 C LYS A 39 0.920 -0.337 8.406 1.00 0.00 C ATOM 639 O LYS A 39 -0.106 -0.108 7.796 1.00 0.00 O ATOM 640 CB LYS A 39 2.074 -2.500 7.863 1.00 0.00 C ATOM 641 CG LYS A 39 3.412 -2.919 8.473 1.00 0.00 C ATOM 642 CD LYS A 39 3.173 -3.991 9.536 1.00 0.00 C ATOM 643 CE LYS A 39 4.287 -5.039 9.464 1.00 0.00 C ATOM 644 NZ LYS A 39 3.658 -6.304 9.939 1.00 0.00 N ATOM 0 H LYS A 39 -0.742 -2.329 8.402 1.00 0.00 H new ATOM 0 HA LYS A 39 1.785 -1.630 9.849 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.528 -3.379 7.519 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.242 -1.868 6.991 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.074 -3.303 7.696 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.908 -2.056 8.917 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.150 -3.537 10.527 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.204 -4.464 9.379 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.665 -5.144 8.447 1.00 0.00 H new ATOM 0 HE3 LYS A 39 5.133 -4.759 10.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.361 -7.070 9.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.314 -6.176 10.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.860 -6.549 9.319 1.00 0.00 H new ATOM 658 N VAL A 40 1.783 0.609 8.657 1.00 0.00 N ATOM 659 CA VAL A 40 1.521 2.003 8.192 1.00 0.00 C ATOM 660 C VAL A 40 2.770 2.582 7.520 1.00 0.00 C ATOM 661 O VAL A 40 3.872 2.446 8.014 1.00 0.00 O ATOM 662 CB VAL A 40 1.186 2.788 9.460 1.00 0.00 C ATOM 663 CG1 VAL A 40 2.265 2.539 10.516 1.00 0.00 C ATOM 664 CG2 VAL A 40 1.129 4.282 9.134 1.00 0.00 C ATOM 0 H VAL A 40 2.658 0.478 9.164 1.00 0.00 H new ATOM 0 HA VAL A 40 0.716 2.047 7.459 1.00 0.00 H new ATOM 0 HB VAL A 40 0.220 2.461 9.844 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.026 3.099 11.420 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.308 1.475 10.749 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.232 2.865 10.132 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.890 4.843 10.038 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.096 4.608 8.750 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.361 4.461 8.382 1.00 0.00 H new ATOM 674 N GLU A 41 2.608 3.230 6.396 1.00 0.00 N ATOM 675 CA GLU A 41 3.788 3.818 5.696 1.00 0.00 C ATOM 676 C GLU A 41 3.756 5.345 5.801 1.00 0.00 C ATOM 677 O GLU A 41 2.720 5.962 5.646 1.00 0.00 O ATOM 678 CB GLU A 41 3.645 3.377 4.239 1.00 0.00 C ATOM 679 CG GLU A 41 5.000 2.903 3.710 1.00 0.00 C ATOM 680 CD GLU A 41 4.956 2.845 2.182 1.00 0.00 C ATOM 681 OE1 GLU A 41 4.742 3.882 1.576 1.00 0.00 O ATOM 682 OE2 GLU A 41 5.135 1.765 1.644 1.00 0.00 O ATOM 0 H GLU A 41 1.711 3.377 5.933 1.00 0.00 H new ATOM 0 HA GLU A 41 4.732 3.489 6.130 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.912 2.574 4.162 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.276 4.204 3.633 1.00 0.00 H new ATOM 0 HG2 GLU A 41 5.788 3.581 4.037 1.00 0.00 H new ATOM 0 HG3 GLU A 41 5.238 1.920 4.116 1.00 0.00 H new ATOM 689 N GLU A 42 4.877 5.964 6.058 1.00 0.00 N ATOM 690 CA GLU A 42 4.885 7.452 6.165 1.00 0.00 C ATOM 691 C GLU A 42 4.935 8.074 4.768 1.00 0.00 C ATOM 692 O GLU A 42 5.905 7.944 4.049 1.00 0.00 O ATOM 693 CB GLU A 42 6.154 7.793 6.951 1.00 0.00 C ATOM 694 CG GLU A 42 7.355 7.081 6.323 1.00 0.00 C ATOM 695 CD GLU A 42 8.540 8.045 6.245 1.00 0.00 C ATOM 696 OE1 GLU A 42 8.671 8.866 7.138 1.00 0.00 O ATOM 697 OE2 GLU A 42 9.297 7.945 5.292 1.00 0.00 O ATOM 0 H GLU A 42 5.779 5.509 6.197 1.00 0.00 H new ATOM 0 HA GLU A 42 3.991 7.836 6.657 1.00 0.00 H new ATOM 0 HB2 GLU A 42 6.316 8.871 6.949 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.042 7.489 7.992 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.623 6.207 6.916 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.098 6.723 5.326 1.00 0.00 H new ATOM 704 N LEU A 43 3.887 8.745 4.382 1.00 0.00 N ATOM 705 CA LEU A 43 3.855 9.377 3.033 1.00 0.00 C ATOM 706 C LEU A 43 4.343 10.826 3.097 1.00 0.00 C ATOM 707 O LEU A 43 3.638 11.708 3.547 1.00 0.00 O ATOM 708 CB LEU A 43 2.389 9.323 2.610 1.00 0.00 C ATOM 709 CG LEU A 43 1.515 9.921 3.715 1.00 0.00 C ATOM 710 CD1 LEU A 43 0.533 10.922 3.105 1.00 0.00 C ATOM 711 CD2 LEU A 43 0.737 8.801 4.414 1.00 0.00 C ATOM 0 H LEU A 43 3.047 8.884 4.944 1.00 0.00 H new ATOM 0 HA LEU A 43 4.508 8.864 2.327 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.247 9.875 1.681 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.093 8.292 2.416 1.00 0.00 H new ATOM 0 HG LEU A 43 2.148 10.431 4.441 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.089 11.347 3.892 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.087 11.719 2.610 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.100 10.414 2.378 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.115 9.227 5.201 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.105 8.289 3.688 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.437 8.089 4.851 1.00 0.00 H new ATOM 723 N GLY A 44 5.536 11.086 2.640 1.00 0.00 N ATOM 724 CA GLY A 44 6.047 12.486 2.668 1.00 0.00 C ATOM 725 C GLY A 44 4.968 13.421 2.119 1.00 0.00 C ATOM 726 O GLY A 44 4.352 13.145 1.109 1.00 0.00 O ATOM 0 H GLY A 44 6.177 10.395 2.250 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.309 12.771 3.687 1.00 0.00 H new ATOM 0 HA3 GLY A 44 6.955 12.567 2.071 1.00 0.00 H new ATOM 730 N LEU A 45 4.723 14.519 2.778 1.00 0.00 N ATOM 731 CA LEU A 45 3.673 15.463 2.296 1.00 0.00 C ATOM 732 C LEU A 45 3.987 15.948 0.876 1.00 0.00 C ATOM 733 O LEU A 45 4.631 15.268 0.102 1.00 0.00 O ATOM 734 CB LEU A 45 3.705 16.628 3.282 1.00 0.00 C ATOM 735 CG LEU A 45 2.324 16.791 3.920 1.00 0.00 C ATOM 736 CD1 LEU A 45 2.482 17.271 5.363 1.00 0.00 C ATOM 737 CD2 LEU A 45 1.514 17.819 3.125 1.00 0.00 C ATOM 0 H LEU A 45 5.204 14.805 3.631 1.00 0.00 H new ATOM 0 HA LEU A 45 2.691 14.991 2.251 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.455 16.447 4.052 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.991 17.546 2.768 1.00 0.00 H new ATOM 0 HG LEU A 45 1.804 15.833 3.912 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.498 17.387 5.818 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.059 16.539 5.929 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.002 18.229 5.373 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.530 17.936 3.578 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.034 18.777 3.133 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.401 17.477 2.096 1.00 0.00 H new ATOM 749 N ARG A 46 3.527 17.120 0.528 1.00 0.00 N ATOM 750 CA ARG A 46 3.783 17.651 -0.843 1.00 0.00 C ATOM 751 C ARG A 46 5.162 18.316 -0.918 1.00 0.00 C ATOM 752 O ARG A 46 5.704 18.766 0.071 1.00 0.00 O ATOM 753 CB ARG A 46 2.684 18.692 -1.073 1.00 0.00 C ATOM 754 CG ARG A 46 1.690 18.174 -2.117 1.00 0.00 C ATOM 755 CD ARG A 46 1.308 19.313 -3.067 1.00 0.00 C ATOM 756 NE ARG A 46 1.673 18.821 -4.425 1.00 0.00 N ATOM 757 CZ ARG A 46 1.027 19.259 -5.473 1.00 0.00 C ATOM 758 NH1 ARG A 46 -0.273 19.164 -5.526 1.00 0.00 N ATOM 759 NH2 ARG A 46 1.684 19.791 -6.467 1.00 0.00 N ATOM 0 H ARG A 46 2.984 17.734 1.135 1.00 0.00 H new ATOM 0 HA ARG A 46 3.772 16.861 -1.593 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.166 18.901 -0.137 1.00 0.00 H new ATOM 0 HB3 ARG A 46 3.124 19.630 -1.410 1.00 0.00 H new ATOM 0 HG2 ARG A 46 2.132 17.351 -2.678 1.00 0.00 H new ATOM 0 HG3 ARG A 46 0.800 17.783 -1.625 1.00 0.00 H new ATOM 0 HD2 ARG A 46 0.244 19.541 -3.002 1.00 0.00 H new ATOM 0 HD3 ARG A 46 1.845 20.229 -2.821 1.00 0.00 H new ATOM 0 HE ARG A 46 2.427 18.143 -4.537 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -0.786 18.748 -4.749 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -0.776 19.506 -6.344 1.00 0.00 H new ATOM 0 HH21 ARG A 46 2.700 19.865 -6.425 1.00 0.00 H new ATOM 0 HH22 ARG A 46 1.181 20.133 -7.286 1.00 0.00 H new ATOM 773 N ARG A 47 5.723 18.386 -2.093 1.00 0.00 N ATOM 774 CA ARG A 47 7.059 19.029 -2.256 1.00 0.00 C ATOM 775 C ARG A 47 8.067 18.485 -1.240 1.00 0.00 C ATOM 776 O ARG A 47 8.276 19.062 -0.190 1.00 0.00 O ATOM 777 CB ARG A 47 6.806 20.515 -2.012 1.00 0.00 C ATOM 778 CG ARG A 47 6.226 21.145 -3.279 1.00 0.00 C ATOM 779 CD ARG A 47 5.994 22.640 -3.048 1.00 0.00 C ATOM 780 NE ARG A 47 7.102 23.318 -3.777 1.00 0.00 N ATOM 781 CZ ARG A 47 7.953 24.063 -3.126 1.00 0.00 C ATOM 782 NH1 ARG A 47 8.382 23.692 -1.952 1.00 0.00 N ATOM 783 NH2 ARG A 47 8.375 25.182 -3.651 1.00 0.00 N ATOM 0 H ARG A 47 5.312 18.024 -2.953 1.00 0.00 H new ATOM 0 HA ARG A 47 7.484 18.832 -3.240 1.00 0.00 H new ATOM 0 HB2 ARG A 47 6.116 20.646 -1.179 1.00 0.00 H new ATOM 0 HB3 ARG A 47 7.736 21.013 -1.737 1.00 0.00 H new ATOM 0 HG2 ARG A 47 6.908 20.998 -4.116 1.00 0.00 H new ATOM 0 HG3 ARG A 47 5.288 20.657 -3.543 1.00 0.00 H new ATOM 0 HD2 ARG A 47 5.022 22.952 -3.429 1.00 0.00 H new ATOM 0 HD3 ARG A 47 6.013 22.883 -1.986 1.00 0.00 H new ATOM 0 HE ARG A 47 7.196 23.200 -4.786 1.00 0.00 H new ATOM 0 HH11 ARG A 47 8.052 22.818 -1.541 1.00 0.00 H new ATOM 0 HH12 ARG A 47 9.047 24.275 -1.444 1.00 0.00 H new ATOM 0 HH21 ARG A 47 8.039 25.473 -4.569 1.00 0.00 H new ATOM 0 HH22 ARG A 47 9.040 25.765 -3.143 1.00 0.00 H new ATOM 797 N LEU A 48 8.710 17.392 -1.549 1.00 0.00 N ATOM 798 CA LEU A 48 9.720 16.831 -0.604 1.00 0.00 C ATOM 799 C LEU A 48 10.943 17.754 -0.560 1.00 0.00 C ATOM 800 O LEU A 48 11.411 18.226 -1.577 1.00 0.00 O ATOM 801 CB LEU A 48 10.089 15.464 -1.181 1.00 0.00 C ATOM 802 CG LEU A 48 10.844 15.648 -2.497 1.00 0.00 C ATOM 803 CD1 LEU A 48 12.348 15.540 -2.245 1.00 0.00 C ATOM 804 CD2 LEU A 48 10.416 14.559 -3.485 1.00 0.00 C ATOM 0 H LEU A 48 8.581 16.864 -2.412 1.00 0.00 H new ATOM 0 HA LEU A 48 9.344 16.744 0.415 1.00 0.00 H new ATOM 0 HB2 LEU A 48 10.705 14.913 -0.471 1.00 0.00 H new ATOM 0 HB3 LEU A 48 9.188 14.873 -1.347 1.00 0.00 H new ATOM 0 HG LEU A 48 10.615 16.630 -2.911 1.00 0.00 H new ATOM 0 HD11 LEU A 48 12.885 15.671 -3.185 1.00 0.00 H new ATOM 0 HD12 LEU A 48 12.655 16.313 -1.540 1.00 0.00 H new ATOM 0 HD13 LEU A 48 12.578 14.559 -1.830 1.00 0.00 H new ATOM 0 HD21 LEU A 48 10.953 14.688 -4.424 1.00 0.00 H new ATOM 0 HD22 LEU A 48 10.646 13.579 -3.068 1.00 0.00 H new ATOM 0 HD23 LEU A 48 9.344 14.634 -3.667 1.00 0.00 H new ATOM 816 N ALA A 49 11.455 18.033 0.609 1.00 0.00 N ATOM 817 CA ALA A 49 12.633 18.944 0.709 1.00 0.00 C ATOM 818 C ALA A 49 13.950 18.162 0.630 1.00 0.00 C ATOM 819 O ALA A 49 14.042 17.028 1.056 1.00 0.00 O ATOM 820 CB ALA A 49 12.492 19.609 2.077 1.00 0.00 C ATOM 0 H ALA A 49 11.110 17.670 1.498 1.00 0.00 H new ATOM 0 HA ALA A 49 12.657 19.665 -0.108 1.00 0.00 H new ATOM 0 HB1 ALA A 49 13.321 20.299 2.234 1.00 0.00 H new ATOM 0 HB2 ALA A 49 11.551 20.157 2.120 1.00 0.00 H new ATOM 0 HB3 ALA A 49 12.503 18.846 2.855 1.00 0.00 H new ATOM 826 N TYR A 50 14.972 18.775 0.093 1.00 0.00 N ATOM 827 CA TYR A 50 16.295 18.096 -0.013 1.00 0.00 C ATOM 828 C TYR A 50 16.604 17.301 1.262 1.00 0.00 C ATOM 829 O TYR A 50 16.907 16.127 1.195 1.00 0.00 O ATOM 830 CB TYR A 50 17.305 19.230 -0.189 1.00 0.00 C ATOM 831 CG TYR A 50 17.397 19.599 -1.650 1.00 0.00 C ATOM 832 CD1 TYR A 50 18.012 18.725 -2.555 1.00 0.00 C ATOM 833 CD2 TYR A 50 16.863 20.812 -2.101 1.00 0.00 C ATOM 834 CE1 TYR A 50 18.095 19.065 -3.910 1.00 0.00 C ATOM 835 CE2 TYR A 50 16.946 21.152 -3.456 1.00 0.00 C ATOM 836 CZ TYR A 50 17.563 20.279 -4.361 1.00 0.00 C ATOM 837 OH TYR A 50 17.644 20.615 -5.697 1.00 0.00 O ATOM 0 H TYR A 50 14.945 19.724 -0.279 1.00 0.00 H new ATOM 0 HA TYR A 50 16.322 17.384 -0.838 1.00 0.00 H new ATOM 0 HB2 TYR A 50 17.001 20.097 0.398 1.00 0.00 H new ATOM 0 HB3 TYR A 50 18.283 18.922 0.182 1.00 0.00 H new ATOM 0 HD1 TYR A 50 18.422 17.788 -2.207 1.00 0.00 H new ATOM 0 HD2 TYR A 50 16.387 21.485 -1.403 1.00 0.00 H new ATOM 0 HE1 TYR A 50 18.569 18.391 -4.608 1.00 0.00 H new ATOM 0 HE2 TYR A 50 16.534 22.088 -3.804 1.00 0.00 H new ATOM 0 HH TYR A 50 17.225 21.489 -5.840 1.00 0.00 H new ATOM 847 N PRO A 51 16.516 17.967 2.388 1.00 0.00 N ATOM 848 CA PRO A 51 16.794 17.302 3.688 1.00 0.00 C ATOM 849 C PRO A 51 15.746 16.224 3.968 1.00 0.00 C ATOM 850 O PRO A 51 14.635 16.302 3.489 1.00 0.00 O ATOM 851 CB PRO A 51 16.730 18.442 4.703 1.00 0.00 C ATOM 852 CG PRO A 51 15.886 19.485 4.051 1.00 0.00 C ATOM 853 CD PRO A 51 16.148 19.379 2.570 1.00 0.00 C ATOM 0 HA PRO A 51 17.755 16.788 3.716 1.00 0.00 H new ATOM 0 HB2 PRO A 51 16.292 18.110 5.644 1.00 0.00 H new ATOM 0 HB3 PRO A 51 17.725 18.824 4.932 1.00 0.00 H new ATOM 0 HG2 PRO A 51 14.831 19.324 4.271 1.00 0.00 H new ATOM 0 HG3 PRO A 51 16.141 20.478 4.421 1.00 0.00 H new ATOM 0 HD2 PRO A 51 15.266 19.643 1.986 1.00 0.00 H new ATOM 0 HD3 PRO A 51 16.950 20.047 2.255 1.00 0.00 H new ATOM 861 N ILE A 52 16.126 15.214 4.724 1.00 0.00 N ATOM 862 CA ILE A 52 15.212 14.069 5.058 1.00 0.00 C ATOM 863 C ILE A 52 13.843 14.197 4.367 1.00 0.00 C ATOM 864 O ILE A 52 13.048 15.065 4.668 1.00 0.00 O ATOM 865 CB ILE A 52 15.098 14.105 6.597 1.00 0.00 C ATOM 866 CG1 ILE A 52 15.117 12.674 7.134 1.00 0.00 C ATOM 867 CG2 ILE A 52 13.806 14.797 7.049 1.00 0.00 C ATOM 868 CD1 ILE A 52 13.976 11.875 6.502 1.00 0.00 C ATOM 0 H ILE A 52 17.057 15.135 5.133 1.00 0.00 H new ATOM 0 HA ILE A 52 15.602 13.116 4.701 1.00 0.00 H new ATOM 0 HB ILE A 52 15.942 14.672 6.989 1.00 0.00 H new ATOM 0 HG12 ILE A 52 16.073 12.203 6.908 1.00 0.00 H new ATOM 0 HG13 ILE A 52 15.013 12.680 8.219 1.00 0.00 H new ATOM 0 HG21 ILE A 52 13.759 14.804 8.138 1.00 0.00 H new ATOM 0 HG22 ILE A 52 13.793 15.822 6.678 1.00 0.00 H new ATOM 0 HG23 ILE A 52 12.946 14.257 6.652 1.00 0.00 H new ATOM 0 HD11 ILE A 52 13.990 10.855 6.885 1.00 0.00 H new ATOM 0 HD12 ILE A 52 13.023 12.343 6.750 1.00 0.00 H new ATOM 0 HD13 ILE A 52 14.100 11.857 5.419 1.00 0.00 H new ATOM 880 N ALA A 53 13.578 13.335 3.420 1.00 0.00 N ATOM 881 CA ALA A 53 12.280 13.393 2.685 1.00 0.00 C ATOM 882 C ALA A 53 12.346 12.505 1.438 1.00 0.00 C ATOM 883 O ALA A 53 12.071 12.943 0.339 1.00 0.00 O ATOM 884 CB ALA A 53 12.109 14.859 2.281 1.00 0.00 C ATOM 0 H ALA A 53 14.208 12.590 3.123 1.00 0.00 H new ATOM 0 HA ALA A 53 11.448 13.040 3.294 1.00 0.00 H new ATOM 0 HB1 ALA A 53 11.173 14.979 1.735 1.00 0.00 H new ATOM 0 HB2 ALA A 53 12.090 15.483 3.175 1.00 0.00 H new ATOM 0 HB3 ALA A 53 12.942 15.161 1.645 1.00 0.00 H new ATOM 890 N LYS A 54 12.710 11.259 1.596 1.00 0.00 N ATOM 891 CA LYS A 54 12.792 10.355 0.411 1.00 0.00 C ATOM 892 C LYS A 54 11.412 9.779 0.094 1.00 0.00 C ATOM 893 O LYS A 54 11.252 8.595 -0.123 1.00 0.00 O ATOM 894 CB LYS A 54 13.761 9.244 0.818 1.00 0.00 C ATOM 895 CG LYS A 54 13.133 8.391 1.922 1.00 0.00 C ATOM 896 CD LYS A 54 12.931 6.962 1.413 1.00 0.00 C ATOM 897 CE LYS A 54 14.004 6.050 2.013 1.00 0.00 C ATOM 898 NZ LYS A 54 13.652 4.681 1.543 1.00 0.00 N ATOM 0 H LYS A 54 12.953 10.830 2.489 1.00 0.00 H new ATOM 0 HA LYS A 54 13.132 10.877 -0.483 1.00 0.00 H new ATOM 0 HB2 LYS A 54 13.999 8.622 -0.045 1.00 0.00 H new ATOM 0 HB3 LYS A 54 14.699 9.676 1.168 1.00 0.00 H new ATOM 0 HG2 LYS A 54 13.775 8.387 2.803 1.00 0.00 H new ATOM 0 HG3 LYS A 54 12.177 8.818 2.227 1.00 0.00 H new ATOM 0 HD2 LYS A 54 11.939 6.604 1.688 1.00 0.00 H new ATOM 0 HD3 LYS A 54 12.988 6.941 0.325 1.00 0.00 H new ATOM 0 HE2 LYS A 54 15.000 6.339 1.678 1.00 0.00 H new ATOM 0 HE3 LYS A 54 14.006 6.105 3.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 14.343 3.998 1.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 12.702 4.431 1.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 13.665 4.657 0.503 1.00 0.00 H new ATOM 912 N ASP A 55 10.419 10.618 0.065 1.00 0.00 N ATOM 913 CA ASP A 55 9.041 10.144 -0.239 1.00 0.00 C ATOM 914 C ASP A 55 8.562 10.748 -1.562 1.00 0.00 C ATOM 915 O ASP A 55 9.162 11.671 -2.073 1.00 0.00 O ATOM 916 CB ASP A 55 8.191 10.654 0.924 1.00 0.00 C ATOM 917 CG ASP A 55 8.500 9.834 2.178 1.00 0.00 C ATOM 918 OD1 ASP A 55 8.806 8.661 2.036 1.00 0.00 O ATOM 919 OD2 ASP A 55 8.427 10.393 3.260 1.00 0.00 O ATOM 0 H ASP A 55 10.502 11.619 0.240 1.00 0.00 H new ATOM 0 HA ASP A 55 8.982 9.061 -0.344 1.00 0.00 H new ATOM 0 HB2 ASP A 55 8.399 11.709 1.105 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.132 10.576 0.677 1.00 0.00 H new ATOM 924 N PRO A 56 7.488 10.207 -2.070 1.00 0.00 N ATOM 925 CA PRO A 56 6.919 10.707 -3.345 1.00 0.00 C ATOM 926 C PRO A 56 6.259 12.073 -3.132 1.00 0.00 C ATOM 927 O PRO A 56 5.924 12.444 -2.024 1.00 0.00 O ATOM 928 CB PRO A 56 5.881 9.650 -3.711 1.00 0.00 C ATOM 929 CG PRO A 56 5.504 9.012 -2.412 1.00 0.00 C ATOM 930 CD PRO A 56 6.712 9.093 -1.515 1.00 0.00 C ATOM 0 HA PRO A 56 7.667 10.849 -4.125 1.00 0.00 H new ATOM 0 HB2 PRO A 56 5.014 10.099 -4.196 1.00 0.00 H new ATOM 0 HB3 PRO A 56 6.292 8.918 -4.406 1.00 0.00 H new ATOM 0 HG2 PRO A 56 4.654 9.526 -1.962 1.00 0.00 H new ATOM 0 HG3 PRO A 56 5.205 7.975 -2.564 1.00 0.00 H new ATOM 0 HD2 PRO A 56 6.429 9.280 -0.479 1.00 0.00 H new ATOM 0 HD3 PRO A 56 7.282 8.164 -1.527 1.00 0.00 H new ATOM 938 N GLN A 57 6.071 12.826 -4.182 1.00 0.00 N ATOM 939 CA GLN A 57 5.432 14.167 -4.035 1.00 0.00 C ATOM 940 C GLN A 57 3.911 14.019 -3.946 1.00 0.00 C ATOM 941 O GLN A 57 3.290 13.400 -4.788 1.00 0.00 O ATOM 942 CB GLN A 57 5.822 14.933 -5.299 1.00 0.00 C ATOM 943 CG GLN A 57 5.131 14.306 -6.511 1.00 0.00 C ATOM 944 CD GLN A 57 6.112 14.244 -7.683 1.00 0.00 C ATOM 945 OE1 GLN A 57 7.283 14.530 -7.526 1.00 0.00 O ATOM 946 NE2 GLN A 57 5.682 13.880 -8.860 1.00 0.00 N ATOM 0 H GLN A 57 6.332 12.572 -5.135 1.00 0.00 H new ATOM 0 HA GLN A 57 5.756 14.682 -3.131 1.00 0.00 H new ATOM 0 HB2 GLN A 57 5.535 15.980 -5.205 1.00 0.00 H new ATOM 0 HB3 GLN A 57 6.904 14.910 -5.432 1.00 0.00 H new ATOM 0 HG2 GLN A 57 4.779 13.304 -6.264 1.00 0.00 H new ATOM 0 HG3 GLN A 57 4.255 14.893 -6.787 1.00 0.00 H new ATOM 0 HE21 GLN A 57 4.700 13.640 -8.992 1.00 0.00 H new ATOM 0 HE22 GLN A 57 6.328 13.836 -9.648 1.00 0.00 H new ATOM 955 N GLY A 58 3.305 14.583 -2.938 1.00 0.00 N ATOM 956 CA GLY A 58 1.825 14.471 -2.803 1.00 0.00 C ATOM 957 C GLY A 58 1.482 13.686 -1.536 1.00 0.00 C ATOM 958 O GLY A 58 2.352 13.190 -0.847 1.00 0.00 O ATOM 0 H GLY A 58 3.770 15.116 -2.203 1.00 0.00 H new ATOM 0 HA2 GLY A 58 1.378 15.464 -2.760 1.00 0.00 H new ATOM 0 HA3 GLY A 58 1.407 13.971 -3.677 1.00 0.00 H new ATOM 962 N TYR A 59 0.220 13.569 -1.223 1.00 0.00 N ATOM 963 CA TYR A 59 -0.177 12.814 0.001 1.00 0.00 C ATOM 964 C TYR A 59 -0.657 11.409 -0.377 1.00 0.00 C ATOM 965 O TYR A 59 -1.677 11.242 -1.017 1.00 0.00 O ATOM 966 CB TYR A 59 -1.319 13.633 0.602 1.00 0.00 C ATOM 967 CG TYR A 59 -1.530 13.238 2.043 1.00 0.00 C ATOM 968 CD1 TYR A 59 -0.690 13.750 3.039 1.00 0.00 C ATOM 969 CD2 TYR A 59 -2.567 12.363 2.385 1.00 0.00 C ATOM 970 CE1 TYR A 59 -0.887 13.387 4.377 1.00 0.00 C ATOM 971 CE2 TYR A 59 -2.766 12.000 3.722 1.00 0.00 C ATOM 972 CZ TYR A 59 -1.925 12.512 4.719 1.00 0.00 C ATOM 973 OH TYR A 59 -2.121 12.153 6.037 1.00 0.00 O ATOM 0 H TYR A 59 -0.552 13.963 -1.760 1.00 0.00 H new ATOM 0 HA TYR A 59 0.648 12.684 0.701 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -1.089 14.696 0.537 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.234 13.470 0.033 1.00 0.00 H new ATOM 0 HD1 TYR A 59 0.110 14.425 2.775 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -3.215 11.967 1.616 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.238 13.782 5.145 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -3.567 11.326 3.985 1.00 0.00 H new ATOM 0 HH TYR A 59 -2.884 11.541 6.099 1.00 0.00 H new ATOM 983 N PHE A 60 0.070 10.401 0.019 1.00 0.00 N ATOM 984 CA PHE A 60 -0.339 9.004 -0.309 1.00 0.00 C ATOM 985 C PHE A 60 -0.605 8.221 0.980 1.00 0.00 C ATOM 986 O PHE A 60 0.091 8.377 1.961 1.00 0.00 O ATOM 987 CB PHE A 60 0.855 8.410 -1.060 1.00 0.00 C ATOM 988 CG PHE A 60 0.468 8.117 -2.491 1.00 0.00 C ATOM 989 CD1 PHE A 60 -0.289 9.045 -3.217 1.00 0.00 C ATOM 990 CD2 PHE A 60 0.868 6.917 -3.091 1.00 0.00 C ATOM 991 CE1 PHE A 60 -0.643 8.772 -4.546 1.00 0.00 C ATOM 992 CE2 PHE A 60 0.513 6.645 -4.418 1.00 0.00 C ATOM 993 CZ PHE A 60 -0.243 7.572 -5.145 1.00 0.00 C ATOM 0 H PHE A 60 0.932 10.484 0.557 1.00 0.00 H new ATOM 0 HA PHE A 60 -1.253 8.966 -0.902 1.00 0.00 H new ATOM 0 HB2 PHE A 60 1.694 9.106 -1.036 1.00 0.00 H new ATOM 0 HB3 PHE A 60 1.186 7.495 -0.569 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -0.600 9.970 -2.754 1.00 0.00 H new ATOM 0 HD2 PHE A 60 1.450 6.201 -2.530 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -1.225 9.488 -5.108 1.00 0.00 H new ATOM 0 HE2 PHE A 60 0.823 5.720 -4.881 1.00 0.00 H new ATOM 0 HZ PHE A 60 -0.518 7.361 -6.168 1.00 0.00 H new ATOM 1003 N LEU A 61 -1.596 7.373 0.988 1.00 0.00 N ATOM 1004 CA LEU A 61 -1.881 6.582 2.221 1.00 0.00 C ATOM 1005 C LEU A 61 -1.665 5.090 1.941 1.00 0.00 C ATOM 1006 O LEU A 61 -2.246 4.532 1.036 1.00 0.00 O ATOM 1007 CB LEU A 61 -3.347 6.880 2.560 1.00 0.00 C ATOM 1008 CG LEU A 61 -4.273 6.072 1.649 1.00 0.00 C ATOM 1009 CD1 LEU A 61 -4.604 4.736 2.317 1.00 0.00 C ATOM 1010 CD2 LEU A 61 -5.567 6.854 1.413 1.00 0.00 C ATOM 0 H LEU A 61 -2.218 7.193 0.200 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.224 6.844 3.050 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.544 6.633 3.603 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.546 7.945 2.441 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.777 5.892 0.695 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -5.264 4.159 1.669 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.684 4.177 2.488 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.100 4.919 3.270 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.227 6.278 0.764 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.063 7.034 2.367 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.334 7.808 0.940 1.00 0.00 H new ATOM 1022 N TRP A 62 -0.824 4.439 2.701 1.00 0.00 N ATOM 1023 CA TRP A 62 -0.575 2.987 2.455 1.00 0.00 C ATOM 1024 C TRP A 62 -0.778 2.191 3.744 1.00 0.00 C ATOM 1025 O TRP A 62 -0.106 2.410 4.732 1.00 0.00 O ATOM 1026 CB TRP A 62 0.883 2.910 1.997 1.00 0.00 C ATOM 1027 CG TRP A 62 1.175 1.542 1.467 1.00 0.00 C ATOM 1028 CD1 TRP A 62 1.175 1.201 0.158 1.00 0.00 C ATOM 1029 CD2 TRP A 62 1.512 0.332 2.207 1.00 0.00 C ATOM 1030 NE1 TRP A 62 1.492 -0.142 0.047 1.00 0.00 N ATOM 1031 CE2 TRP A 62 1.709 -0.721 1.281 1.00 0.00 C ATOM 1032 CE3 TRP A 62 1.665 0.049 3.576 1.00 0.00 C ATOM 1033 CZ2 TRP A 62 2.047 -2.009 1.700 1.00 0.00 C ATOM 1034 CZ3 TRP A 62 2.005 -1.246 4.001 1.00 0.00 C ATOM 1035 CH2 TRP A 62 2.194 -2.273 3.064 1.00 0.00 C ATOM 0 H TRP A 62 -0.302 4.846 3.477 1.00 0.00 H new ATOM 0 HA TRP A 62 -1.257 2.568 1.715 1.00 0.00 H new ATOM 0 HB2 TRP A 62 1.072 3.657 1.226 1.00 0.00 H new ATOM 0 HB3 TRP A 62 1.548 3.137 2.830 1.00 0.00 H new ATOM 0 HD1 TRP A 62 0.963 1.867 -0.665 1.00 0.00 H new ATOM 0 HE1 TRP A 62 1.557 -0.643 -0.839 1.00 0.00 H new ATOM 0 HE3 TRP A 62 1.520 0.832 4.305 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 2.194 -2.796 0.975 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 2.122 -1.452 5.055 1.00 0.00 H new ATOM 0 HH2 TRP A 62 2.453 -3.267 3.397 1.00 0.00 H new ATOM 1046 N TYR A 63 -1.706 1.273 3.749 1.00 0.00 N ATOM 1047 CA TYR A 63 -1.955 0.480 4.975 1.00 0.00 C ATOM 1048 C TYR A 63 -2.107 -0.999 4.628 1.00 0.00 C ATOM 1049 O TYR A 63 -2.603 -1.352 3.577 1.00 0.00 O ATOM 1050 CB TYR A 63 -3.270 1.031 5.515 1.00 0.00 C ATOM 1051 CG TYR A 63 -3.074 2.461 5.952 1.00 0.00 C ATOM 1052 CD1 TYR A 63 -2.088 2.776 6.893 1.00 0.00 C ATOM 1053 CD2 TYR A 63 -3.878 3.473 5.413 1.00 0.00 C ATOM 1054 CE1 TYR A 63 -1.904 4.105 7.296 1.00 0.00 C ATOM 1055 CE2 TYR A 63 -3.695 4.801 5.816 1.00 0.00 C ATOM 1056 CZ TYR A 63 -2.708 5.118 6.758 1.00 0.00 C ATOM 1057 OH TYR A 63 -2.525 6.428 7.154 1.00 0.00 O ATOM 0 H TYR A 63 -2.301 1.041 2.953 1.00 0.00 H new ATOM 0 HA TYR A 63 -1.140 0.554 5.695 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -4.042 0.977 4.747 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -3.612 0.426 6.355 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -1.469 1.995 7.309 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -4.639 3.229 4.687 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -1.142 4.349 8.022 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -4.315 5.582 5.400 1.00 0.00 H new ATOM 0 HH TYR A 63 -3.164 7.004 6.684 1.00 0.00 H new ATOM 1067 N GLN A 64 -1.709 -1.870 5.512 1.00 0.00 N ATOM 1068 CA GLN A 64 -1.861 -3.323 5.232 1.00 0.00 C ATOM 1069 C GLN A 64 -3.194 -3.788 5.814 1.00 0.00 C ATOM 1070 O GLN A 64 -3.536 -3.464 6.934 1.00 0.00 O ATOM 1071 CB GLN A 64 -0.685 -4.000 5.938 1.00 0.00 C ATOM 1072 CG GLN A 64 0.435 -4.257 4.927 1.00 0.00 C ATOM 1073 CD GLN A 64 1.073 -5.619 5.205 1.00 0.00 C ATOM 1074 OE1 GLN A 64 0.518 -6.643 4.863 1.00 0.00 O ATOM 1075 NE2 GLN A 64 2.225 -5.674 5.815 1.00 0.00 N ATOM 0 H GLN A 64 -1.287 -1.640 6.412 1.00 0.00 H new ATOM 0 HA GLN A 64 -1.859 -3.560 4.168 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -0.321 -3.369 6.748 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -1.008 -4.940 6.386 1.00 0.00 H new ATOM 0 HG2 GLN A 64 0.036 -4.231 3.913 1.00 0.00 H new ATOM 0 HG3 GLN A 64 1.187 -3.471 4.994 1.00 0.00 H new ATOM 0 HE21 GLN A 64 2.691 -4.814 6.102 1.00 0.00 H new ATOM 0 HE22 GLN A 64 2.659 -6.577 6.004 1.00 0.00 H new ATOM 1084 N VAL A 65 -3.970 -4.507 5.056 1.00 0.00 N ATOM 1085 CA VAL A 65 -5.297 -4.940 5.564 1.00 0.00 C ATOM 1086 C VAL A 65 -5.444 -6.462 5.534 1.00 0.00 C ATOM 1087 O VAL A 65 -4.622 -7.170 4.989 1.00 0.00 O ATOM 1088 CB VAL A 65 -6.276 -4.287 4.593 1.00 0.00 C ATOM 1089 CG1 VAL A 65 -6.109 -2.771 4.656 1.00 0.00 C ATOM 1090 CG2 VAL A 65 -5.965 -4.753 3.171 1.00 0.00 C ATOM 0 H VAL A 65 -3.743 -4.813 4.110 1.00 0.00 H new ATOM 0 HA VAL A 65 -5.459 -4.653 6.603 1.00 0.00 H new ATOM 0 HB VAL A 65 -7.295 -4.565 4.863 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.806 -2.299 3.964 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -6.313 -2.424 5.669 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.088 -2.506 4.380 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -6.663 -4.288 2.475 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.946 -4.467 2.909 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.063 -5.837 3.114 1.00 0.00 H new ATOM 1100 N GLU A 66 -6.499 -6.964 6.115 1.00 0.00 N ATOM 1101 CA GLU A 66 -6.728 -8.436 6.123 1.00 0.00 C ATOM 1102 C GLU A 66 -8.128 -8.731 5.590 1.00 0.00 C ATOM 1103 O GLU A 66 -8.884 -9.491 6.164 1.00 0.00 O ATOM 1104 CB GLU A 66 -6.609 -8.849 7.590 1.00 0.00 C ATOM 1105 CG GLU A 66 -7.697 -8.145 8.403 1.00 0.00 C ATOM 1106 CD GLU A 66 -7.064 -7.057 9.272 1.00 0.00 C ATOM 1107 OE1 GLU A 66 -6.336 -7.404 10.187 1.00 0.00 O ATOM 1108 OE2 GLU A 66 -7.320 -5.893 9.008 1.00 0.00 O ATOM 0 H GLU A 66 -7.216 -6.414 6.587 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.019 -8.979 5.497 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.710 -9.930 7.685 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.624 -8.586 7.975 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -8.438 -7.706 7.735 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.221 -8.866 9.030 1.00 0.00 H new ATOM 1115 N MET A 67 -8.476 -8.121 4.494 1.00 0.00 N ATOM 1116 CA MET A 67 -9.826 -8.337 3.901 1.00 0.00 C ATOM 1117 C MET A 67 -9.697 -8.857 2.469 1.00 0.00 C ATOM 1118 O MET A 67 -8.682 -8.666 1.828 1.00 0.00 O ATOM 1119 CB MET A 67 -10.489 -6.959 3.911 1.00 0.00 C ATOM 1120 CG MET A 67 -10.775 -6.536 5.353 1.00 0.00 C ATOM 1121 SD MET A 67 -12.125 -7.540 6.019 1.00 0.00 S ATOM 1122 CE MET A 67 -12.182 -6.784 7.663 1.00 0.00 C ATOM 0 H MET A 67 -7.878 -7.476 3.978 1.00 0.00 H new ATOM 0 HA MET A 67 -10.407 -9.074 4.456 1.00 0.00 H new ATOM 0 HB2 MET A 67 -9.839 -6.228 3.429 1.00 0.00 H new ATOM 0 HB3 MET A 67 -11.416 -6.987 3.339 1.00 0.00 H new ATOM 0 HG2 MET A 67 -9.881 -6.659 5.964 1.00 0.00 H new ATOM 0 HG3 MET A 67 -11.042 -5.480 5.387 1.00 0.00 H new ATOM 0 HE1 MET A 67 -12.962 -7.261 8.256 1.00 0.00 H new ATOM 0 HE2 MET A 67 -11.219 -6.915 8.157 1.00 0.00 H new ATOM 0 HE3 MET A 67 -12.399 -5.720 7.567 1.00 0.00 H new ATOM 1132 N PRO A 68 -10.734 -9.505 2.015 1.00 0.00 N ATOM 1133 CA PRO A 68 -10.740 -10.068 0.642 1.00 0.00 C ATOM 1134 C PRO A 68 -10.785 -8.945 -0.400 1.00 0.00 C ATOM 1135 O PRO A 68 -11.249 -7.853 -0.137 1.00 0.00 O ATOM 1136 CB PRO A 68 -12.013 -10.910 0.606 1.00 0.00 C ATOM 1137 CG PRO A 68 -12.897 -10.312 1.652 1.00 0.00 C ATOM 1138 CD PRO A 68 -11.990 -9.769 2.725 1.00 0.00 C ATOM 0 HA PRO A 68 -9.848 -10.650 0.412 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -12.483 -10.874 -0.377 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -11.800 -11.958 0.820 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -13.515 -9.520 1.230 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -13.575 -11.061 2.061 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -12.396 -8.862 3.172 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -11.850 -10.487 3.533 1.00 0.00 H new ATOM 1146 N GLU A 69 -10.296 -9.211 -1.579 1.00 0.00 N ATOM 1147 CA GLU A 69 -10.293 -8.171 -2.650 1.00 0.00 C ATOM 1148 C GLU A 69 -11.709 -7.927 -3.180 1.00 0.00 C ATOM 1149 O GLU A 69 -11.974 -6.937 -3.831 1.00 0.00 O ATOM 1150 CB GLU A 69 -9.408 -8.752 -3.751 1.00 0.00 C ATOM 1151 CG GLU A 69 -9.920 -10.142 -4.136 1.00 0.00 C ATOM 1152 CD GLU A 69 -8.768 -11.147 -4.071 1.00 0.00 C ATOM 1153 OE1 GLU A 69 -7.877 -11.052 -4.899 1.00 0.00 O ATOM 1154 OE2 GLU A 69 -8.797 -11.996 -3.195 1.00 0.00 O ATOM 0 H GLU A 69 -9.895 -10.109 -1.850 1.00 0.00 H new ATOM 0 HA GLU A 69 -9.930 -7.211 -2.284 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.414 -8.096 -4.622 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.376 -8.815 -3.407 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.720 -10.446 -3.461 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.341 -10.120 -5.141 1.00 0.00 H new ATOM 1161 N ASP A 70 -12.618 -8.823 -2.918 1.00 0.00 N ATOM 1162 CA ASP A 70 -14.008 -8.637 -3.421 1.00 0.00 C ATOM 1163 C ASP A 70 -14.579 -7.310 -2.916 1.00 0.00 C ATOM 1164 O ASP A 70 -15.305 -6.630 -3.613 1.00 0.00 O ATOM 1165 CB ASP A 70 -14.803 -9.818 -2.856 1.00 0.00 C ATOM 1166 CG ASP A 70 -14.551 -9.942 -1.350 1.00 0.00 C ATOM 1167 OD1 ASP A 70 -13.791 -9.147 -0.826 1.00 0.00 O ATOM 1168 OD2 ASP A 70 -15.128 -10.833 -0.747 1.00 0.00 O ATOM 0 H ASP A 70 -12.460 -9.674 -2.379 1.00 0.00 H new ATOM 0 HA ASP A 70 -14.051 -8.607 -4.510 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -15.867 -9.675 -3.045 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -14.510 -10.739 -3.360 1.00 0.00 H new ATOM 1173 N ARG A 71 -14.255 -6.936 -1.710 1.00 0.00 N ATOM 1174 CA ARG A 71 -14.776 -5.657 -1.162 1.00 0.00 C ATOM 1175 C ARG A 71 -14.107 -4.467 -1.862 1.00 0.00 C ATOM 1176 O ARG A 71 -14.435 -3.324 -1.615 1.00 0.00 O ATOM 1177 CB ARG A 71 -14.434 -5.689 0.336 1.00 0.00 C ATOM 1178 CG ARG A 71 -13.005 -5.182 0.568 1.00 0.00 C ATOM 1179 CD ARG A 71 -12.743 -5.065 2.072 1.00 0.00 C ATOM 1180 NE ARG A 71 -11.355 -4.535 2.181 1.00 0.00 N ATOM 1181 CZ ARG A 71 -11.145 -3.353 2.693 1.00 0.00 C ATOM 1182 NH1 ARG A 71 -11.834 -2.955 3.726 1.00 0.00 N ATOM 1183 NH2 ARG A 71 -10.243 -2.567 2.171 1.00 0.00 N ATOM 0 H ARG A 71 -13.650 -7.463 -1.080 1.00 0.00 H new ATOM 0 HA ARG A 71 -15.848 -5.544 -1.321 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -15.141 -5.071 0.890 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -14.533 -6.706 0.717 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -12.287 -5.866 0.115 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -12.869 -4.213 0.088 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -13.460 -4.395 2.547 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -12.836 -6.032 2.565 1.00 0.00 H new ATOM 0 HE ARG A 71 -10.568 -5.096 1.855 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -12.539 -3.568 4.136 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -11.668 -2.031 4.124 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -9.703 -2.877 1.363 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -10.079 -1.643 2.571 1.00 0.00 H new ATOM 1197 N VAL A 72 -13.165 -4.730 -2.728 1.00 0.00 N ATOM 1198 CA VAL A 72 -12.466 -3.622 -3.436 1.00 0.00 C ATOM 1199 C VAL A 72 -13.467 -2.716 -4.150 1.00 0.00 C ATOM 1200 O VAL A 72 -13.376 -1.506 -4.088 1.00 0.00 O ATOM 1201 CB VAL A 72 -11.561 -4.322 -4.451 1.00 0.00 C ATOM 1202 CG1 VAL A 72 -12.408 -5.018 -5.517 1.00 0.00 C ATOM 1203 CG2 VAL A 72 -10.659 -3.290 -5.121 1.00 0.00 C ATOM 0 H VAL A 72 -12.850 -5.668 -2.975 1.00 0.00 H new ATOM 0 HA VAL A 72 -11.908 -2.985 -2.750 1.00 0.00 H new ATOM 0 HB VAL A 72 -10.954 -5.065 -3.934 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -11.754 -5.513 -6.235 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -13.053 -5.758 -5.043 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -13.021 -4.280 -6.034 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -10.013 -3.787 -5.845 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -11.272 -2.547 -5.631 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -10.046 -2.797 -4.366 1.00 0.00 H new ATOM 1213 N ASN A 73 -14.421 -3.286 -4.825 1.00 0.00 N ATOM 1214 CA ASN A 73 -15.420 -2.443 -5.535 1.00 0.00 C ATOM 1215 C ASN A 73 -16.259 -1.676 -4.513 1.00 0.00 C ATOM 1216 O ASN A 73 -16.610 -0.532 -4.714 1.00 0.00 O ATOM 1217 CB ASN A 73 -16.286 -3.425 -6.324 1.00 0.00 C ATOM 1218 CG ASN A 73 -17.116 -2.659 -7.356 1.00 0.00 C ATOM 1219 OD1 ASN A 73 -18.329 -2.644 -7.287 1.00 0.00 O ATOM 1220 ND2 ASN A 73 -16.510 -2.017 -8.319 1.00 0.00 N ATOM 0 H ASN A 73 -14.553 -4.293 -4.917 1.00 0.00 H new ATOM 0 HA ASN A 73 -14.957 -1.706 -6.191 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -15.656 -4.162 -6.823 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -16.942 -3.972 -5.647 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -17.055 -1.504 -9.012 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -15.492 -2.029 -8.378 1.00 0.00 H new ATOM 1227 N ASP A 74 -16.580 -2.304 -3.416 1.00 0.00 N ATOM 1228 CA ASP A 74 -17.393 -1.632 -2.372 1.00 0.00 C ATOM 1229 C ASP A 74 -16.583 -0.529 -1.681 1.00 0.00 C ATOM 1230 O ASP A 74 -17.050 0.578 -1.498 1.00 0.00 O ATOM 1231 CB ASP A 74 -17.739 -2.740 -1.376 1.00 0.00 C ATOM 1232 CG ASP A 74 -18.830 -2.250 -0.422 1.00 0.00 C ATOM 1233 OD1 ASP A 74 -19.253 -1.116 -0.569 1.00 0.00 O ATOM 1234 OD2 ASP A 74 -19.222 -3.020 0.440 1.00 0.00 O ATOM 0 H ASP A 74 -16.310 -3.263 -3.199 1.00 0.00 H new ATOM 0 HA ASP A 74 -18.280 -1.154 -2.788 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -18.079 -3.628 -1.908 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -16.851 -3.027 -0.813 1.00 0.00 H new ATOM 1239 N LEU A 75 -15.378 -0.831 -1.283 1.00 0.00 N ATOM 1240 CA LEU A 75 -14.536 0.173 -0.593 1.00 0.00 C ATOM 1241 C LEU A 75 -14.231 1.366 -1.504 1.00 0.00 C ATOM 1242 O LEU A 75 -14.334 2.509 -1.107 1.00 0.00 O ATOM 1243 CB LEU A 75 -13.250 -0.589 -0.261 1.00 0.00 C ATOM 1244 CG LEU A 75 -12.874 -0.345 1.197 1.00 0.00 C ATOM 1245 CD1 LEU A 75 -13.057 1.134 1.506 1.00 0.00 C ATOM 1246 CD2 LEU A 75 -13.787 -1.173 2.106 1.00 0.00 C ATOM 0 H LEU A 75 -14.940 -1.743 -1.410 1.00 0.00 H new ATOM 0 HA LEU A 75 -15.027 0.587 0.288 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -13.391 -1.655 -0.437 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -12.442 -0.262 -0.915 1.00 0.00 H new ATOM 0 HG LEU A 75 -11.838 -0.637 1.368 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -12.792 1.324 2.546 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -12.413 1.724 0.854 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -14.097 1.414 1.340 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -13.518 -0.999 3.148 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -14.824 -0.879 1.945 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -13.669 -2.231 1.873 1.00 0.00 H new ATOM 1258 N ALA A 76 -13.862 1.104 -2.721 1.00 0.00 N ATOM 1259 CA ALA A 76 -13.553 2.212 -3.673 1.00 0.00 C ATOM 1260 C ALA A 76 -14.825 3.006 -3.915 1.00 0.00 C ATOM 1261 O ALA A 76 -14.826 4.216 -4.024 1.00 0.00 O ATOM 1262 CB ALA A 76 -13.090 1.526 -4.959 1.00 0.00 C ATOM 0 H ALA A 76 -13.759 0.165 -3.105 1.00 0.00 H new ATOM 0 HA ALA A 76 -12.792 2.898 -3.301 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -12.845 2.281 -5.706 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -12.207 0.921 -4.751 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -13.887 0.886 -5.337 1.00 0.00 H new ATOM 1268 N ARG A 77 -15.907 2.302 -4.000 1.00 0.00 N ATOM 1269 CA ARG A 77 -17.225 2.932 -4.238 1.00 0.00 C ATOM 1270 C ARG A 77 -17.523 3.992 -3.171 1.00 0.00 C ATOM 1271 O ARG A 77 -17.897 5.105 -3.479 1.00 0.00 O ATOM 1272 CB ARG A 77 -18.179 1.754 -4.106 1.00 0.00 C ATOM 1273 CG ARG A 77 -18.674 1.335 -5.491 1.00 0.00 C ATOM 1274 CD ARG A 77 -20.089 1.873 -5.712 1.00 0.00 C ATOM 1275 NE ARG A 77 -20.034 2.568 -7.028 1.00 0.00 N ATOM 1276 CZ ARG A 77 -21.134 2.998 -7.583 1.00 0.00 C ATOM 1277 NH1 ARG A 77 -21.820 2.211 -8.364 1.00 0.00 N ATOM 1278 NH2 ARG A 77 -21.545 4.216 -7.358 1.00 0.00 N ATOM 0 H ARG A 77 -15.935 1.286 -3.912 1.00 0.00 H new ATOM 0 HA ARG A 77 -17.295 3.448 -5.196 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -17.675 0.918 -3.621 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -19.024 2.027 -3.474 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -18.003 1.719 -6.260 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -18.669 0.248 -5.577 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -20.821 1.066 -5.722 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -20.380 2.558 -4.915 1.00 0.00 H new ATOM 0 HE ARG A 77 -19.138 2.708 -7.495 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -21.497 1.260 -8.541 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -22.680 2.546 -8.798 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -21.006 4.832 -6.749 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -22.405 4.552 -7.792 1.00 0.00 H new ATOM 1292 N GLU A 78 -17.365 3.657 -1.921 1.00 0.00 N ATOM 1293 CA GLU A 78 -17.644 4.652 -0.844 1.00 0.00 C ATOM 1294 C GLU A 78 -16.566 5.739 -0.836 1.00 0.00 C ATOM 1295 O GLU A 78 -16.855 6.913 -0.716 1.00 0.00 O ATOM 1296 CB GLU A 78 -17.609 3.851 0.458 1.00 0.00 C ATOM 1297 CG GLU A 78 -18.388 2.548 0.277 1.00 0.00 C ATOM 1298 CD GLU A 78 -19.247 2.290 1.516 1.00 0.00 C ATOM 1299 OE1 GLU A 78 -19.501 3.236 2.243 1.00 0.00 O ATOM 1300 OE2 GLU A 78 -19.637 1.151 1.716 1.00 0.00 O ATOM 0 H GLU A 78 -17.056 2.740 -1.597 1.00 0.00 H new ATOM 0 HA GLU A 78 -18.601 5.155 -0.985 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -16.578 3.635 0.737 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -18.042 4.436 1.269 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -19.019 2.610 -0.610 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -17.698 1.718 0.120 1.00 0.00 H new ATOM 1307 N LEU A 79 -15.327 5.356 -0.960 1.00 0.00 N ATOM 1308 CA LEU A 79 -14.228 6.365 -0.956 1.00 0.00 C ATOM 1309 C LEU A 79 -14.286 7.230 -2.221 1.00 0.00 C ATOM 1310 O LEU A 79 -14.144 8.436 -2.166 1.00 0.00 O ATOM 1311 CB LEU A 79 -12.941 5.541 -0.926 1.00 0.00 C ATOM 1312 CG LEU A 79 -12.854 4.778 0.396 1.00 0.00 C ATOM 1313 CD1 LEU A 79 -11.522 4.030 0.467 1.00 0.00 C ATOM 1314 CD2 LEU A 79 -12.944 5.767 1.560 1.00 0.00 C ATOM 0 H LEU A 79 -15.026 4.387 -1.064 1.00 0.00 H new ATOM 0 HA LEU A 79 -14.299 7.048 -0.109 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -12.924 4.843 -1.763 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -12.076 6.194 -1.039 1.00 0.00 H new ATOM 0 HG LEU A 79 -13.675 4.064 0.459 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -11.460 3.486 1.410 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -11.455 3.327 -0.363 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -10.700 4.743 0.405 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -12.882 5.225 2.504 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -12.122 6.480 1.496 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -13.892 6.302 1.510 1.00 0.00 H new ATOM 1326 N ARG A 80 -14.487 6.624 -3.360 1.00 0.00 N ATOM 1327 CA ARG A 80 -14.546 7.413 -4.628 1.00 0.00 C ATOM 1328 C ARG A 80 -15.744 8.366 -4.614 1.00 0.00 C ATOM 1329 O ARG A 80 -15.668 9.482 -5.088 1.00 0.00 O ATOM 1330 CB ARG A 80 -14.707 6.373 -5.737 1.00 0.00 C ATOM 1331 CG ARG A 80 -14.921 7.083 -7.075 1.00 0.00 C ATOM 1332 CD ARG A 80 -16.300 6.717 -7.633 1.00 0.00 C ATOM 1333 NE ARG A 80 -16.864 7.999 -8.137 1.00 0.00 N ATOM 1334 CZ ARG A 80 -18.099 8.048 -8.558 1.00 0.00 C ATOM 1335 NH1 ARG A 80 -18.996 7.251 -8.045 1.00 0.00 N ATOM 1336 NH2 ARG A 80 -18.436 8.893 -9.494 1.00 0.00 N ATOM 0 H ARG A 80 -14.613 5.618 -3.469 1.00 0.00 H new ATOM 0 HA ARG A 80 -13.656 8.027 -4.767 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -13.822 5.739 -5.787 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -15.553 5.722 -5.519 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -14.845 8.162 -6.942 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -14.143 6.793 -7.781 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -16.220 5.980 -8.432 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -16.935 6.282 -6.861 1.00 0.00 H new ATOM 0 HE ARG A 80 -16.286 8.839 -8.153 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -18.732 6.589 -7.315 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -19.961 7.290 -8.374 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -17.735 9.515 -9.896 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -19.401 8.931 -9.823 1.00 0.00 H new ATOM 1350 N ILE A 81 -16.851 7.929 -4.083 1.00 0.00 N ATOM 1351 CA ILE A 81 -18.058 8.798 -4.046 1.00 0.00 C ATOM 1352 C ILE A 81 -17.831 10.011 -3.136 1.00 0.00 C ATOM 1353 O ILE A 81 -18.556 10.984 -3.199 1.00 0.00 O ATOM 1354 CB ILE A 81 -19.156 7.902 -3.479 1.00 0.00 C ATOM 1355 CG1 ILE A 81 -19.598 6.903 -4.550 1.00 0.00 C ATOM 1356 CG2 ILE A 81 -20.347 8.760 -3.054 1.00 0.00 C ATOM 1357 CD1 ILE A 81 -20.556 5.883 -3.933 1.00 0.00 C ATOM 0 H ILE A 81 -16.972 7.004 -3.672 1.00 0.00 H new ATOM 0 HA ILE A 81 -18.309 9.196 -5.029 1.00 0.00 H new ATOM 0 HB ILE A 81 -18.775 7.361 -2.613 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -20.087 7.427 -5.371 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -18.729 6.395 -4.969 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -21.131 8.120 -2.649 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -20.029 9.471 -2.291 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -20.732 9.302 -3.918 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -20.871 5.171 -4.696 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -20.051 5.351 -3.127 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -21.430 6.399 -3.535 1.00 0.00 H new ATOM 1369 N ARG A 82 -16.842 9.964 -2.285 1.00 0.00 N ATOM 1370 CA ARG A 82 -16.603 11.120 -1.375 1.00 0.00 C ATOM 1371 C ARG A 82 -16.243 12.373 -2.166 1.00 0.00 C ATOM 1372 O ARG A 82 -15.875 12.322 -3.323 1.00 0.00 O ATOM 1373 CB ARG A 82 -15.437 10.720 -0.484 1.00 0.00 C ATOM 1374 CG ARG A 82 -15.042 11.898 0.406 1.00 0.00 C ATOM 1375 CD ARG A 82 -14.228 11.383 1.595 1.00 0.00 C ATOM 1376 NE ARG A 82 -13.175 12.412 1.812 1.00 0.00 N ATOM 1377 CZ ARG A 82 -13.423 13.450 2.561 1.00 0.00 C ATOM 1378 NH1 ARG A 82 -14.351 14.299 2.213 1.00 0.00 N ATOM 1379 NH2 ARG A 82 -12.747 13.637 3.661 1.00 0.00 N ATOM 0 H ARG A 82 -16.195 9.183 -2.181 1.00 0.00 H new ATOM 0 HA ARG A 82 -17.498 11.350 -0.797 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -15.714 9.864 0.131 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -14.588 10.413 -1.095 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -14.457 12.620 -0.165 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -15.933 12.417 0.758 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -14.853 11.264 2.480 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -13.790 10.408 1.381 1.00 0.00 H new ATOM 0 HE ARG A 82 -12.260 12.305 1.375 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -14.882 14.151 1.355 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -14.545 15.111 2.799 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -12.024 12.971 3.935 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -12.941 14.449 4.247 1.00 0.00 H new ATOM 1393 N ASP A 83 -16.361 13.495 -1.530 1.00 0.00 N ATOM 1394 CA ASP A 83 -16.043 14.792 -2.199 1.00 0.00 C ATOM 1395 C ASP A 83 -14.530 14.987 -2.362 1.00 0.00 C ATOM 1396 O ASP A 83 -14.053 15.365 -3.412 1.00 0.00 O ATOM 1397 CB ASP A 83 -16.617 15.863 -1.272 1.00 0.00 C ATOM 1398 CG ASP A 83 -16.564 17.223 -1.970 1.00 0.00 C ATOM 1399 OD1 ASP A 83 -16.421 17.239 -3.182 1.00 0.00 O ATOM 1400 OD2 ASP A 83 -16.665 18.225 -1.282 1.00 0.00 O ATOM 0 H ASP A 83 -16.668 13.578 -0.561 1.00 0.00 H new ATOM 0 HA ASP A 83 -16.464 14.835 -3.203 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -17.646 15.617 -1.008 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -16.049 15.897 -0.342 1.00 0.00 H new ATOM 1405 N ASN A 84 -13.779 14.763 -1.318 1.00 0.00 N ATOM 1406 CA ASN A 84 -12.302 14.969 -1.395 1.00 0.00 C ATOM 1407 C ASN A 84 -11.616 13.848 -2.180 1.00 0.00 C ATOM 1408 O ASN A 84 -10.564 14.044 -2.754 1.00 0.00 O ATOM 1409 CB ASN A 84 -11.831 14.967 0.058 1.00 0.00 C ATOM 1410 CG ASN A 84 -12.234 16.282 0.728 1.00 0.00 C ATOM 1411 OD1 ASN A 84 -13.315 16.393 1.273 1.00 0.00 O ATOM 1412 ND2 ASN A 84 -11.408 17.292 0.708 1.00 0.00 N ATOM 0 H ASN A 84 -14.124 14.445 -0.412 1.00 0.00 H new ATOM 0 HA ASN A 84 -12.055 15.894 -1.915 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -12.270 14.125 0.593 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -10.749 14.842 0.100 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -11.670 18.174 1.149 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -10.501 17.200 0.251 1.00 0.00 H new ATOM 1419 N VAL A 85 -12.187 12.677 -2.207 1.00 0.00 N ATOM 1420 CA VAL A 85 -11.541 11.562 -2.951 1.00 0.00 C ATOM 1421 C VAL A 85 -11.849 11.673 -4.446 1.00 0.00 C ATOM 1422 O VAL A 85 -12.993 11.718 -4.854 1.00 0.00 O ATOM 1423 CB VAL A 85 -12.160 10.294 -2.367 1.00 0.00 C ATOM 1424 CG1 VAL A 85 -11.559 9.074 -3.057 1.00 0.00 C ATOM 1425 CG2 VAL A 85 -11.864 10.228 -0.867 1.00 0.00 C ATOM 0 H VAL A 85 -13.068 12.445 -1.749 1.00 0.00 H new ATOM 0 HA VAL A 85 -10.455 11.571 -2.853 1.00 0.00 H new ATOM 0 HB VAL A 85 -13.238 10.308 -2.525 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -11.999 8.167 -2.642 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -11.767 9.122 -4.126 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -10.481 9.060 -2.897 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -12.305 9.323 -0.449 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -10.786 10.212 -0.709 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -12.290 11.101 -0.373 1.00 0.00 H new ATOM 1435 N ARG A 86 -10.833 11.724 -5.266 1.00 0.00 N ATOM 1436 CA ARG A 86 -11.066 11.840 -6.734 1.00 0.00 C ATOM 1437 C ARG A 86 -10.976 10.467 -7.404 1.00 0.00 C ATOM 1438 O ARG A 86 -11.706 10.171 -8.329 1.00 0.00 O ATOM 1439 CB ARG A 86 -9.948 12.754 -7.238 1.00 0.00 C ATOM 1440 CG ARG A 86 -9.894 12.695 -8.765 1.00 0.00 C ATOM 1441 CD ARG A 86 -11.169 13.310 -9.345 1.00 0.00 C ATOM 1442 NE ARG A 86 -10.795 13.749 -10.717 1.00 0.00 N ATOM 1443 CZ ARG A 86 -11.562 13.452 -11.729 1.00 0.00 C ATOM 1444 NH1 ARG A 86 -12.779 13.920 -11.784 1.00 0.00 N ATOM 1445 NH2 ARG A 86 -11.113 12.687 -12.687 1.00 0.00 N ATOM 0 H ARG A 86 -9.854 11.690 -4.983 1.00 0.00 H new ATOM 0 HA ARG A 86 -12.056 12.235 -6.961 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -10.124 13.778 -6.909 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -8.992 12.444 -6.817 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -9.019 13.234 -9.130 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -9.793 11.661 -9.096 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -11.981 12.584 -9.371 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -11.512 14.150 -8.741 1.00 0.00 H new ATOM 0 HE ARG A 86 -9.938 14.282 -10.866 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -13.130 14.518 -11.036 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -13.379 13.688 -12.575 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -10.162 12.321 -12.644 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -11.713 12.455 -13.478 1.00 0.00 H new ATOM 1459 N ARG A 87 -10.091 9.620 -6.950 1.00 0.00 N ATOM 1460 CA ARG A 87 -9.973 8.271 -7.573 1.00 0.00 C ATOM 1461 C ARG A 87 -9.604 7.227 -6.511 1.00 0.00 C ATOM 1462 O ARG A 87 -8.941 7.522 -5.537 1.00 0.00 O ATOM 1463 CB ARG A 87 -8.873 8.428 -8.643 1.00 0.00 C ATOM 1464 CG ARG A 87 -7.551 7.801 -8.177 1.00 0.00 C ATOM 1465 CD ARG A 87 -6.495 7.963 -9.274 1.00 0.00 C ATOM 1466 NE ARG A 87 -6.721 6.820 -10.202 1.00 0.00 N ATOM 1467 CZ ARG A 87 -5.822 6.520 -11.099 1.00 0.00 C ATOM 1468 NH1 ARG A 87 -4.585 6.310 -10.739 1.00 0.00 N ATOM 1469 NH2 ARG A 87 -6.158 6.431 -12.358 1.00 0.00 N ATOM 0 H ARG A 87 -9.448 9.803 -6.179 1.00 0.00 H new ATOM 0 HA ARG A 87 -10.906 7.923 -8.017 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -9.195 7.956 -9.571 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -8.721 9.485 -8.859 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -7.213 8.280 -7.258 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -7.697 6.745 -7.951 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -6.605 8.917 -9.789 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -5.488 7.940 -8.858 1.00 0.00 H new ATOM 0 HE ARG A 87 -7.579 6.272 -10.136 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -4.321 6.380 -9.756 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -3.883 6.075 -11.440 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -7.124 6.596 -12.641 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -5.454 6.196 -13.058 1.00 0.00 H new ATOM 1483 N VAL A 88 -10.031 6.008 -6.695 1.00 0.00 N ATOM 1484 CA VAL A 88 -9.711 4.945 -5.704 1.00 0.00 C ATOM 1485 C VAL A 88 -9.011 3.775 -6.398 1.00 0.00 C ATOM 1486 O VAL A 88 -9.507 3.229 -7.364 1.00 0.00 O ATOM 1487 CB VAL A 88 -11.065 4.509 -5.152 1.00 0.00 C ATOM 1488 CG1 VAL A 88 -11.609 5.593 -4.222 1.00 0.00 C ATOM 1489 CG2 VAL A 88 -12.042 4.296 -6.312 1.00 0.00 C ATOM 0 H VAL A 88 -10.589 5.703 -7.492 1.00 0.00 H new ATOM 0 HA VAL A 88 -9.042 5.294 -4.918 1.00 0.00 H new ATOM 0 HB VAL A 88 -10.949 3.578 -4.597 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -12.576 5.282 -3.827 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -10.913 5.748 -3.397 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -11.726 6.524 -4.777 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -13.010 3.984 -5.920 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -12.158 5.228 -6.866 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -11.655 3.524 -6.977 1.00 0.00 H new ATOM 1499 N MET A 89 -7.863 3.387 -5.917 1.00 0.00 N ATOM 1500 CA MET A 89 -7.135 2.253 -6.555 1.00 0.00 C ATOM 1501 C MET A 89 -6.736 1.217 -5.500 1.00 0.00 C ATOM 1502 O MET A 89 -5.968 1.496 -4.601 1.00 0.00 O ATOM 1503 CB MET A 89 -5.892 2.883 -7.185 1.00 0.00 C ATOM 1504 CG MET A 89 -5.807 2.481 -8.658 1.00 0.00 C ATOM 1505 SD MET A 89 -4.070 2.294 -9.132 1.00 0.00 S ATOM 1506 CE MET A 89 -4.027 3.615 -10.369 1.00 0.00 C ATOM 0 H MET A 89 -7.397 3.805 -5.111 1.00 0.00 H new ATOM 0 HA MET A 89 -7.747 1.734 -7.293 1.00 0.00 H new ATOM 0 HB2 MET A 89 -5.936 3.968 -7.095 1.00 0.00 H new ATOM 0 HB3 MET A 89 -4.997 2.556 -6.656 1.00 0.00 H new ATOM 0 HG2 MET A 89 -6.343 1.546 -8.823 1.00 0.00 H new ATOM 0 HG3 MET A 89 -6.286 3.237 -9.281 1.00 0.00 H new ATOM 0 HE1 MET A 89 -3.672 3.213 -11.318 1.00 0.00 H new ATOM 0 HE2 MET A 89 -5.029 4.024 -10.500 1.00 0.00 H new ATOM 0 HE3 MET A 89 -3.354 4.405 -10.035 1.00 0.00 H new ATOM 1516 N VAL A 90 -7.251 0.025 -5.605 1.00 0.00 N ATOM 1517 CA VAL A 90 -6.898 -1.027 -4.610 1.00 0.00 C ATOM 1518 C VAL A 90 -6.135 -2.160 -5.299 1.00 0.00 C ATOM 1519 O VAL A 90 -6.647 -2.816 -6.185 1.00 0.00 O ATOM 1520 CB VAL A 90 -8.236 -1.526 -4.073 1.00 0.00 C ATOM 1521 CG1 VAL A 90 -7.997 -2.702 -3.123 1.00 0.00 C ATOM 1522 CG2 VAL A 90 -8.936 -0.393 -3.321 1.00 0.00 C ATOM 0 H VAL A 90 -7.900 -0.267 -6.335 1.00 0.00 H new ATOM 0 HA VAL A 90 -6.258 -0.650 -3.812 1.00 0.00 H new ATOM 0 HB VAL A 90 -8.864 -1.853 -4.902 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -8.952 -3.059 -2.739 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -7.498 -3.508 -3.660 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -7.370 -2.377 -2.292 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -9.892 -0.748 -2.937 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -8.310 -0.066 -2.491 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -9.105 0.444 -3.999 1.00 0.00 H new ATOM 1532 N VAL A 91 -4.915 -2.393 -4.904 1.00 0.00 N ATOM 1533 CA VAL A 91 -4.123 -3.482 -5.544 1.00 0.00 C ATOM 1534 C VAL A 91 -3.481 -4.374 -4.486 1.00 0.00 C ATOM 1535 O VAL A 91 -3.230 -3.963 -3.369 1.00 0.00 O ATOM 1536 CB VAL A 91 -3.054 -2.781 -6.390 1.00 0.00 C ATOM 1537 CG1 VAL A 91 -2.544 -1.532 -5.665 1.00 0.00 C ATOM 1538 CG2 VAL A 91 -1.880 -3.733 -6.640 1.00 0.00 C ATOM 0 H VAL A 91 -4.432 -1.878 -4.168 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.752 -4.128 -6.156 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.498 -2.490 -7.342 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.785 -1.042 -6.275 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.373 -0.845 -5.496 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.110 -1.819 -4.707 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.124 -3.228 -7.242 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.445 -4.032 -5.687 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.235 -4.617 -7.170 1.00 0.00 H new ATOM 1548 N LYS A 92 -3.213 -5.594 -4.842 1.00 0.00 N ATOM 1549 CA LYS A 92 -2.581 -6.539 -3.878 1.00 0.00 C ATOM 1550 C LYS A 92 -1.106 -6.181 -3.678 1.00 0.00 C ATOM 1551 O LYS A 92 -0.491 -5.551 -4.516 1.00 0.00 O ATOM 1552 CB LYS A 92 -2.717 -7.915 -4.533 1.00 0.00 C ATOM 1553 CG LYS A 92 -1.767 -8.009 -5.728 1.00 0.00 C ATOM 1554 CD LYS A 92 -1.720 -9.453 -6.231 1.00 0.00 C ATOM 1555 CE LYS A 92 -1.682 -9.461 -7.760 1.00 0.00 C ATOM 1556 NZ LYS A 92 -0.286 -9.078 -8.109 1.00 0.00 N ATOM 0 H LYS A 92 -3.405 -5.983 -5.765 1.00 0.00 H new ATOM 0 HA LYS A 92 -3.050 -6.506 -2.895 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -2.487 -8.698 -3.810 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -3.745 -8.074 -4.859 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -2.102 -7.346 -6.525 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -0.769 -7.681 -5.439 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -0.841 -9.959 -5.832 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -2.592 -10.001 -5.876 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -1.933 -10.445 -8.157 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -2.401 -8.756 -8.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -0.300 -8.256 -8.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 0.234 -8.835 -7.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 0.185 -9.875 -8.583 1.00 0.00 H new ATOM 1570 N SER A 93 -0.535 -6.577 -2.574 1.00 0.00 N ATOM 1571 CA SER A 93 0.900 -6.259 -2.321 1.00 0.00 C ATOM 1572 C SER A 93 1.724 -7.548 -2.264 1.00 0.00 C ATOM 1573 O SER A 93 1.594 -8.339 -1.351 1.00 0.00 O ATOM 1574 CB SER A 93 0.913 -5.552 -0.967 1.00 0.00 C ATOM 1575 OG SER A 93 1.845 -4.480 -1.007 1.00 0.00 O ATOM 0 H SER A 93 -0.999 -7.107 -1.836 1.00 0.00 H new ATOM 0 HA SER A 93 1.333 -5.641 -3.107 1.00 0.00 H new ATOM 0 HB2 SER A 93 -0.082 -5.175 -0.731 1.00 0.00 H new ATOM 0 HB3 SER A 93 1.183 -6.255 -0.179 1.00 0.00 H new ATOM 0 HG SER A 93 1.456 -3.727 -1.498 1.00 0.00 H new ATOM 1581 N GLN A 94 2.569 -7.769 -3.234 1.00 0.00 N ATOM 1582 CA GLN A 94 3.397 -9.010 -3.236 1.00 0.00 C ATOM 1583 C GLN A 94 4.635 -8.829 -2.354 1.00 0.00 C ATOM 1584 O GLN A 94 5.245 -7.778 -2.331 1.00 0.00 O ATOM 1585 CB GLN A 94 3.804 -9.214 -4.695 1.00 0.00 C ATOM 1586 CG GLN A 94 4.468 -7.940 -5.224 1.00 0.00 C ATOM 1587 CD GLN A 94 3.500 -7.200 -6.150 1.00 0.00 C ATOM 1588 OE1 GLN A 94 3.181 -6.051 -5.919 1.00 0.00 O ATOM 1589 NE2 GLN A 94 3.016 -7.813 -7.195 1.00 0.00 N ATOM 0 H GLN A 94 2.722 -7.144 -4.026 1.00 0.00 H new ATOM 0 HA GLN A 94 2.851 -9.867 -2.840 1.00 0.00 H new ATOM 0 HB2 GLN A 94 4.491 -10.056 -4.777 1.00 0.00 H new ATOM 0 HB3 GLN A 94 2.929 -9.457 -5.297 1.00 0.00 H new ATOM 0 HG2 GLN A 94 4.755 -7.296 -4.393 1.00 0.00 H new ATOM 0 HG3 GLN A 94 5.382 -8.191 -5.763 1.00 0.00 H new ATOM 0 HE21 GLN A 94 3.283 -8.778 -7.390 1.00 0.00 H new ATOM 0 HE22 GLN A 94 2.370 -7.327 -7.817 1.00 0.00 H new ATOM 1598 N GLU A 95 5.015 -9.849 -1.630 1.00 0.00 N ATOM 1599 CA GLU A 95 6.216 -9.736 -0.752 1.00 0.00 C ATOM 1600 C GLU A 95 7.288 -10.738 -1.189 1.00 0.00 C ATOM 1601 O GLU A 95 6.981 -11.777 -1.740 1.00 0.00 O ATOM 1602 CB GLU A 95 5.714 -10.066 0.654 1.00 0.00 C ATOM 1603 CG GLU A 95 4.923 -8.878 1.206 1.00 0.00 C ATOM 1604 CD GLU A 95 5.362 -8.595 2.644 1.00 0.00 C ATOM 1605 OE1 GLU A 95 4.869 -9.266 3.536 1.00 0.00 O ATOM 1606 OE2 GLU A 95 6.182 -7.711 2.829 1.00 0.00 O ATOM 0 H GLU A 95 4.546 -10.754 -1.609 1.00 0.00 H new ATOM 0 HA GLU A 95 6.669 -8.746 -0.800 1.00 0.00 H new ATOM 0 HB2 GLU A 95 5.084 -10.955 0.627 1.00 0.00 H new ATOM 0 HB3 GLU A 95 6.556 -10.292 1.309 1.00 0.00 H new ATOM 0 HG2 GLU A 95 5.088 -7.998 0.585 1.00 0.00 H new ATOM 0 HG3 GLU A 95 3.855 -9.094 1.177 1.00 0.00 H new ATOM 1613 N PRO A 96 8.515 -10.388 -0.922 1.00 0.00 N ATOM 1614 CA PRO A 96 9.654 -11.261 -1.288 1.00 0.00 C ATOM 1615 C PRO A 96 9.772 -12.425 -0.300 1.00 0.00 C ATOM 1616 O PRO A 96 8.898 -12.655 0.511 1.00 0.00 O ATOM 1617 CB PRO A 96 10.861 -10.336 -1.176 1.00 0.00 C ATOM 1618 CG PRO A 96 10.454 -9.271 -0.207 1.00 0.00 C ATOM 1619 CD PRO A 96 8.951 -9.153 -0.264 1.00 0.00 C ATOM 0 HA PRO A 96 9.552 -11.708 -2.277 1.00 0.00 H new ATOM 0 HB2 PRO A 96 11.739 -10.876 -0.821 1.00 0.00 H new ATOM 0 HB3 PRO A 96 11.120 -9.908 -2.145 1.00 0.00 H new ATOM 0 HG2 PRO A 96 10.780 -9.526 0.801 1.00 0.00 H new ATOM 0 HG3 PRO A 96 10.923 -8.321 -0.463 1.00 0.00 H new ATOM 0 HD2 PRO A 96 8.521 -9.061 0.733 1.00 0.00 H new ATOM 0 HD3 PRO A 96 8.642 -8.272 -0.827 1.00 0.00 H new ATOM 1627 N PHE A 97 10.849 -13.158 -0.361 1.00 0.00 N ATOM 1628 CA PHE A 97 11.026 -14.305 0.576 1.00 0.00 C ATOM 1629 C PHE A 97 11.290 -13.793 1.996 1.00 0.00 C ATOM 1630 O PHE A 97 11.206 -12.612 2.264 1.00 0.00 O ATOM 1631 CB PHE A 97 12.241 -15.068 0.048 1.00 0.00 C ATOM 1632 CG PHE A 97 12.079 -15.310 -1.433 1.00 0.00 C ATOM 1633 CD1 PHE A 97 10.932 -15.950 -1.916 1.00 0.00 C ATOM 1634 CD2 PHE A 97 13.077 -14.894 -2.325 1.00 0.00 C ATOM 1635 CE1 PHE A 97 10.781 -16.175 -3.290 1.00 0.00 C ATOM 1636 CE2 PHE A 97 12.926 -15.118 -3.698 1.00 0.00 C ATOM 1637 CZ PHE A 97 11.777 -15.758 -4.181 1.00 0.00 C ATOM 0 H PHE A 97 11.615 -13.013 -1.019 1.00 0.00 H new ATOM 0 HA PHE A 97 10.139 -14.937 0.625 1.00 0.00 H new ATOM 0 HB2 PHE A 97 13.151 -14.499 0.237 1.00 0.00 H new ATOM 0 HB3 PHE A 97 12.344 -16.018 0.573 1.00 0.00 H new ATOM 0 HD1 PHE A 97 10.163 -16.271 -1.229 1.00 0.00 H new ATOM 0 HD2 PHE A 97 13.963 -14.401 -1.953 1.00 0.00 H new ATOM 0 HE1 PHE A 97 9.896 -16.670 -3.662 1.00 0.00 H new ATOM 0 HE2 PHE A 97 13.695 -14.798 -4.385 1.00 0.00 H new ATOM 0 HZ PHE A 97 11.660 -15.930 -5.241 1.00 0.00 H new ATOM 1647 N LEU A 98 11.610 -14.674 2.904 1.00 0.00 N ATOM 1648 CA LEU A 98 11.878 -14.238 4.305 1.00 0.00 C ATOM 1649 C LEU A 98 13.270 -14.701 4.743 1.00 0.00 C ATOM 1650 O LEU A 98 13.417 -15.673 5.457 1.00 0.00 O ATOM 1651 CB LEU A 98 10.798 -14.919 5.144 1.00 0.00 C ATOM 1652 CG LEU A 98 9.885 -13.860 5.762 1.00 0.00 C ATOM 1653 CD1 LEU A 98 8.706 -13.590 4.825 1.00 0.00 C ATOM 1654 CD2 LEU A 98 9.360 -14.364 7.108 1.00 0.00 C ATOM 0 H LEU A 98 11.698 -15.676 2.737 1.00 0.00 H new ATOM 0 HA LEU A 98 11.854 -13.154 4.413 1.00 0.00 H new ATOM 0 HB2 LEU A 98 10.215 -15.598 4.522 1.00 0.00 H new ATOM 0 HB3 LEU A 98 11.258 -15.520 5.929 1.00 0.00 H new ATOM 0 HG LEU A 98 10.448 -12.939 5.911 1.00 0.00 H new ATOM 0 HD11 LEU A 98 8.056 -12.835 5.267 1.00 0.00 H new ATOM 0 HD12 LEU A 98 9.079 -13.232 3.865 1.00 0.00 H new ATOM 0 HD13 LEU A 98 8.143 -14.511 4.675 1.00 0.00 H new ATOM 0 HD21 LEU A 98 8.709 -13.610 7.550 1.00 0.00 H new ATOM 0 HD22 LEU A 98 8.798 -15.286 6.957 1.00 0.00 H new ATOM 0 HD23 LEU A 98 10.199 -14.556 7.777 1.00 0.00 H new ATOM 1666 N ALA A 99 14.295 -14.015 4.316 1.00 0.00 N ATOM 1667 CA ALA A 99 15.677 -14.418 4.705 1.00 0.00 C ATOM 1668 C ALA A 99 16.622 -13.215 4.642 1.00 0.00 C ATOM 1669 O ALA A 99 17.311 -12.905 5.592 1.00 0.00 O ATOM 1670 CB ALA A 99 16.082 -15.473 3.676 1.00 0.00 C ATOM 0 H ALA A 99 14.236 -13.193 3.715 1.00 0.00 H new ATOM 0 HA ALA A 99 15.724 -14.800 5.725 1.00 0.00 H new ATOM 0 HB1 ALA A 99 17.091 -15.823 3.892 1.00 0.00 H new ATOM 0 HB2 ALA A 99 15.389 -16.313 3.724 1.00 0.00 H new ATOM 0 HB3 ALA A 99 16.055 -15.037 2.678 1.00 0.00 H new ATOM 1676 N ASN A 100 16.662 -12.535 3.527 1.00 0.00 N ATOM 1677 CA ASN A 100 17.566 -11.356 3.404 1.00 0.00 C ATOM 1678 C ASN A 100 17.019 -10.179 4.220 1.00 0.00 C ATOM 1679 O ASN A 100 16.148 -10.340 5.053 1.00 0.00 O ATOM 1680 CB ASN A 100 17.582 -11.023 1.910 1.00 0.00 C ATOM 1681 CG ASN A 100 16.296 -10.285 1.528 1.00 0.00 C ATOM 1682 OD1 ASN A 100 16.207 -9.082 1.673 1.00 0.00 O ATOM 1683 ND2 ASN A 100 15.290 -10.959 1.040 1.00 0.00 N ATOM 0 H ASN A 100 16.108 -12.745 2.697 1.00 0.00 H new ATOM 0 HA ASN A 100 18.567 -11.560 3.784 1.00 0.00 H new ATOM 0 HB2 ASN A 100 18.449 -10.406 1.675 1.00 0.00 H new ATOM 0 HB3 ASN A 100 17.674 -11.938 1.325 1.00 0.00 H new ATOM 0 HD21 ASN A 100 14.430 -10.476 0.781 1.00 0.00 H new ATOM 0 HD22 ASN A 100 15.364 -11.969 0.918 1.00 0.00 H new ATOM 1690 N ALA A 101 17.525 -8.997 3.989 1.00 0.00 N ATOM 1691 CA ALA A 101 17.034 -7.814 4.752 1.00 0.00 C ATOM 1692 C ALA A 101 16.556 -6.722 3.790 1.00 0.00 C ATOM 1693 O ALA A 101 17.172 -5.669 3.768 1.00 0.00 O ATOM 1694 CB ALA A 101 18.244 -7.331 5.552 1.00 0.00 C ATOM 1695 OXT ALA A 101 15.584 -6.959 3.093 1.00 0.00 O ATOM 0 H ALA A 101 18.256 -8.800 3.306 1.00 0.00 H new ATOM 0 HA ALA A 101 16.189 -8.060 5.396 1.00 0.00 H new ATOM 0 HB1 ALA A 101 17.965 -6.459 6.143 1.00 0.00 H new ATOM 0 HB2 ALA A 101 18.582 -8.126 6.216 1.00 0.00 H new ATOM 0 HB3 ALA A 101 19.049 -7.063 4.868 1.00 0.00 H new TER 1701 ALA A 101