USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=13 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 Set 1.1: A 33 TYR OH : rot -39:sc= -0.438 USER MOD Set 1.2: A 67 MET CE :methyl -154:sc= -2.12 (180deg=-0.803) USER MOD Set 2.1: A 57 GLN : amide:sc= -0.193 X(o=-0.19,f=-0.013) USER MOD Set 2.2: A 59 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 7 ASN : amide:sc= -3.91! C(o=-4.7!,f=-12!) USER MOD Set 3.2: A 89 MET CE :methyl -136:sc= -0.831 (180deg=-1.22) 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 15:sc= -0.641 USER MOD Single : A 11 ASN : amide:sc= -0.273 K(o=-0.27,f=-3.8!) USER MOD Single : A 13 ASN :FLIP amide:sc= -0.0075 F(o=-0.74,f=-0.0075) USER MOD Single : A 16 GLN : amide:sc= -0.403 X(o=-0.4,f=-0.079) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.0813 X(o=-0.081,f=-0.071) USER MOD Single : A 23 LYS NZ :NH3+ 155:sc= -0.0606 (180deg=-1.01) USER MOD Single : A 27 GLN : amide:sc= -0.695 X(o=-0.69,f=-0.47) USER MOD Single : A 32 ASN : amide:sc= -0.4 X(o=-0.4,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 123:sc= -0.0276 (180deg=-0.428) 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 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.301 K(o=-0.3,f=-4.3!) USER MOD Single : A 73 ASN : amide:sc= -0.0427 K(o=-0.043,f=-1.8!) USER MOD Single : A 84 ASN : amide:sc= 0.245 K(o=0.24,f=-5.1!) USER MOD Single : A 92 LYS NZ :NH3+ -159:sc= -0.231 (180deg=-1.51!) USER MOD Single : A 93 SER OG : rot -41:sc= 0.654! USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 100 ASN : amide:sc= -1.43 X(o=-1.4,f=-0.95) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.667 -12.130 4.831 1.00 0.00 N ATOM 2 CA MET A 1 -6.762 -13.017 4.045 1.00 0.00 C ATOM 3 C MET A 1 -5.465 -12.281 3.703 1.00 0.00 C ATOM 4 O MET A 1 -4.465 -12.415 4.381 1.00 0.00 O ATOM 5 CB MET A 1 -7.541 -13.346 2.772 1.00 0.00 C ATOM 6 CG MET A 1 -8.073 -14.778 2.852 1.00 0.00 C ATOM 7 SD MET A 1 -9.773 -14.757 3.473 1.00 0.00 S ATOM 8 CE MET A 1 -10.497 -15.822 2.202 1.00 0.00 C ATOM 0 H1 MET A 1 -8.544 -12.641 5.057 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.195 -11.846 5.713 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.894 -11.283 4.272 1.00 0.00 H new ATOM 0 HA MET A 1 -6.482 -13.914 4.597 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.368 -12.646 2.648 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.896 -13.235 1.900 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.040 -15.245 1.868 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.442 -15.376 3.510 1.00 0.00 H new ATOM 0 HE1 MET A 1 -11.563 -15.946 2.395 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.356 -15.366 1.222 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.009 -16.796 2.222 1.00 0.00 H new ATOM 20 N ARG A 2 -5.473 -11.499 2.658 1.00 0.00 N ATOM 21 CA ARG A 2 -4.241 -10.752 2.274 1.00 0.00 C ATOM 22 C ARG A 2 -4.456 -9.249 2.478 1.00 0.00 C ATOM 23 O ARG A 2 -5.559 -8.800 2.718 1.00 0.00 O ATOM 24 CB ARG A 2 -4.028 -11.067 0.793 1.00 0.00 C ATOM 25 CG ARG A 2 -4.080 -12.582 0.583 1.00 0.00 C ATOM 26 CD ARG A 2 -4.065 -12.893 -0.916 1.00 0.00 C ATOM 27 NE ARG A 2 -3.517 -14.274 -1.016 1.00 0.00 N ATOM 28 CZ ARG A 2 -2.851 -14.637 -2.079 1.00 0.00 C ATOM 29 NH1 ARG A 2 -3.342 -14.413 -3.266 1.00 0.00 N ATOM 30 NH2 ARG A 2 -1.693 -15.226 -1.953 1.00 0.00 N ATOM 0 H ARG A 2 -6.280 -11.345 2.053 1.00 0.00 H new ATOM 0 HA ARG A 2 -3.379 -11.038 2.876 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -4.795 -10.579 0.192 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -3.066 -10.676 0.461 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -3.229 -13.057 1.072 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -4.980 -12.992 1.041 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -5.067 -12.834 -1.342 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -3.445 -12.181 -1.461 1.00 0.00 H new ATOM 0 HE ARG A 2 -3.662 -14.937 -0.254 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -4.247 -13.954 -3.365 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -2.821 -14.697 -4.095 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -1.309 -15.402 -1.025 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -1.172 -15.510 -2.783 1.00 0.00 H new ATOM 44 N ARG A 3 -3.413 -8.470 2.389 1.00 0.00 N ATOM 45 CA ARG A 3 -3.570 -6.999 2.583 1.00 0.00 C ATOM 46 C ARG A 3 -3.508 -6.271 1.238 1.00 0.00 C ATOM 47 O ARG A 3 -2.915 -6.743 0.290 1.00 0.00 O ATOM 48 CB ARG A 3 -2.398 -6.585 3.475 1.00 0.00 C ATOM 49 CG ARG A 3 -1.085 -7.064 2.852 1.00 0.00 C ATOM 50 CD ARG A 3 -0.448 -8.118 3.759 1.00 0.00 C ATOM 51 NE ARG A 3 0.954 -8.239 3.275 1.00 0.00 N ATOM 52 CZ ARG A 3 1.677 -9.268 3.621 1.00 0.00 C ATOM 53 NH1 ARG A 3 1.853 -9.546 4.884 1.00 0.00 N ATOM 54 NH2 ARG A 3 2.220 -10.022 2.705 1.00 0.00 N ATOM 0 H ARG A 3 -2.463 -8.785 2.191 1.00 0.00 H new ATOM 0 HA ARG A 3 -4.531 -6.746 3.032 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -2.382 -5.501 3.593 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -2.517 -7.012 4.471 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -1.270 -7.483 1.863 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -0.404 -6.223 2.719 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -0.480 -7.812 4.805 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -0.974 -9.070 3.689 1.00 0.00 H new ATOM 0 HE ARG A 3 1.350 -7.517 2.673 1.00 0.00 H new ATOM 0 HH11 ARG A 3 1.425 -8.959 5.600 1.00 0.00 H new ATOM 0 HH12 ARG A 3 2.418 -10.351 5.155 1.00 0.00 H new ATOM 0 HH21 ARG A 3 2.079 -9.807 1.718 1.00 0.00 H new ATOM 0 HH22 ARG A 3 2.785 -10.827 2.976 1.00 0.00 H new ATOM 68 N TYR A 4 -4.126 -5.124 1.153 1.00 0.00 N ATOM 69 CA TYR A 4 -4.118 -4.359 -0.120 1.00 0.00 C ATOM 70 C TYR A 4 -3.655 -2.927 0.143 1.00 0.00 C ATOM 71 O TYR A 4 -3.588 -2.483 1.271 1.00 0.00 O ATOM 72 CB TYR A 4 -5.566 -4.372 -0.598 1.00 0.00 C ATOM 73 CG TYR A 4 -6.006 -5.796 -0.838 1.00 0.00 C ATOM 74 CD1 TYR A 4 -6.275 -6.640 0.247 1.00 0.00 C ATOM 75 CD2 TYR A 4 -6.144 -6.273 -2.146 1.00 0.00 C ATOM 76 CE1 TYR A 4 -6.681 -7.961 0.022 1.00 0.00 C ATOM 77 CE2 TYR A 4 -6.550 -7.593 -2.371 1.00 0.00 C ATOM 78 CZ TYR A 4 -6.818 -8.438 -1.287 1.00 0.00 C ATOM 79 OH TYR A 4 -7.219 -9.740 -1.508 1.00 0.00 O ATOM 0 H TYR A 4 -4.638 -4.684 1.917 1.00 0.00 H new ATOM 0 HA TYR A 4 -3.443 -4.787 -0.861 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -6.210 -3.902 0.146 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -5.662 -3.791 -1.515 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -6.169 -6.272 1.257 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -5.937 -5.622 -2.983 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -6.888 -8.612 0.858 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -6.657 -7.960 -3.381 1.00 0.00 H new ATOM 0 HH TYR A 4 -7.590 -10.113 -0.681 1.00 0.00 H new ATOM 89 N GLU A 5 -3.333 -2.204 -0.889 1.00 0.00 N ATOM 90 CA GLU A 5 -2.870 -0.802 -0.691 1.00 0.00 C ATOM 91 C GLU A 5 -3.934 0.178 -1.192 1.00 0.00 C ATOM 92 O GLU A 5 -4.492 0.016 -2.260 1.00 0.00 O ATOM 93 CB GLU A 5 -1.589 -0.695 -1.526 1.00 0.00 C ATOM 94 CG GLU A 5 -1.312 0.770 -1.879 1.00 0.00 C ATOM 95 CD GLU A 5 0.181 0.955 -2.161 1.00 0.00 C ATOM 96 OE1 GLU A 5 0.619 0.536 -3.220 1.00 0.00 O ATOM 97 OE2 GLU A 5 0.859 1.512 -1.315 1.00 0.00 O ATOM 0 H GLU A 5 -3.369 -2.519 -1.858 1.00 0.00 H new ATOM 0 HA GLU A 5 -2.693 -0.561 0.357 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -0.748 -1.109 -0.970 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -1.689 -1.284 -2.438 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -1.896 1.061 -2.752 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -1.621 1.417 -1.058 1.00 0.00 H new ATOM 104 N VAL A 6 -4.214 1.197 -0.427 1.00 0.00 N ATOM 105 CA VAL A 6 -5.239 2.194 -0.857 1.00 0.00 C ATOM 106 C VAL A 6 -4.552 3.443 -1.417 1.00 0.00 C ATOM 107 O VAL A 6 -3.648 3.989 -0.818 1.00 0.00 O ATOM 108 CB VAL A 6 -6.038 2.533 0.404 1.00 0.00 C ATOM 109 CG1 VAL A 6 -6.945 1.355 0.765 1.00 0.00 C ATOM 110 CG2 VAL A 6 -5.083 2.811 1.568 1.00 0.00 C ATOM 0 H VAL A 6 -3.779 1.384 0.476 1.00 0.00 H new ATOM 0 HA VAL A 6 -5.885 1.805 -1.644 1.00 0.00 H new ATOM 0 HB VAL A 6 -6.643 3.420 0.215 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -7.514 1.596 1.663 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -7.632 1.159 -0.058 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -6.336 0.470 0.948 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -5.659 3.051 2.462 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -4.472 1.928 1.757 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -4.437 3.652 1.316 1.00 0.00 H new ATOM 120 N ASN A 7 -4.972 3.893 -2.567 1.00 0.00 N ATOM 121 CA ASN A 7 -4.346 5.099 -3.172 1.00 0.00 C ATOM 122 C ASN A 7 -5.307 6.289 -3.077 1.00 0.00 C ATOM 123 O ASN A 7 -6.189 6.456 -3.896 1.00 0.00 O ATOM 124 CB ASN A 7 -4.089 4.696 -4.631 1.00 0.00 C ATOM 125 CG ASN A 7 -4.072 5.935 -5.523 1.00 0.00 C ATOM 126 OD1 ASN A 7 -4.695 5.956 -6.566 1.00 0.00 O ATOM 127 ND2 ASN A 7 -3.381 6.976 -5.156 1.00 0.00 N ATOM 0 H ASN A 7 -5.724 3.475 -3.114 1.00 0.00 H new ATOM 0 HA ASN A 7 -3.429 5.408 -2.670 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -3.138 4.169 -4.709 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -4.863 4.007 -4.968 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -3.363 7.809 -5.744 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -2.858 6.958 -4.280 1.00 0.00 H new ATOM 134 N ILE A 8 -5.140 7.116 -2.082 1.00 0.00 N ATOM 135 CA ILE A 8 -6.039 8.295 -1.930 1.00 0.00 C ATOM 136 C ILE A 8 -5.402 9.527 -2.580 1.00 0.00 C ATOM 137 O ILE A 8 -4.371 10.004 -2.148 1.00 0.00 O ATOM 138 CB ILE A 8 -6.174 8.492 -0.419 1.00 0.00 C ATOM 139 CG1 ILE A 8 -7.113 7.426 0.149 1.00 0.00 C ATOM 140 CG2 ILE A 8 -6.747 9.880 -0.130 1.00 0.00 C ATOM 141 CD1 ILE A 8 -6.367 6.095 0.260 1.00 0.00 C ATOM 0 H ILE A 8 -4.419 7.026 -1.366 1.00 0.00 H new ATOM 0 HA ILE A 8 -7.007 8.147 -2.410 1.00 0.00 H new ATOM 0 HB ILE A 8 -5.193 8.402 0.047 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -7.478 7.733 1.129 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -7.985 7.314 -0.495 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -6.842 10.017 0.947 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.080 10.641 -0.535 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -7.728 9.973 -0.596 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -7.036 5.336 0.665 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.023 5.787 -0.728 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -5.509 6.213 0.922 1.00 0.00 H new ATOM 153 N VAL A 9 -6.003 10.043 -3.617 1.00 0.00 N ATOM 154 CA VAL A 9 -5.424 11.240 -4.293 1.00 0.00 C ATOM 155 C VAL A 9 -6.334 12.455 -4.100 1.00 0.00 C ATOM 156 O VAL A 9 -7.474 12.466 -4.522 1.00 0.00 O ATOM 157 CB VAL A 9 -5.344 10.860 -5.772 1.00 0.00 C ATOM 158 CG1 VAL A 9 -6.752 10.833 -6.371 1.00 0.00 C ATOM 159 CG2 VAL A 9 -4.495 11.894 -6.516 1.00 0.00 C ATOM 0 H VAL A 9 -6.868 9.689 -4.025 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.449 11.509 -3.887 1.00 0.00 H new ATOM 0 HB VAL A 9 -4.890 9.874 -5.870 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.694 10.562 -7.425 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -7.359 10.099 -5.841 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -7.207 11.819 -6.274 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.436 11.625 -7.571 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.952 12.879 -6.417 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -3.492 11.915 -6.091 1.00 0.00 H new ATOM 169 N LEU A 10 -5.840 13.480 -3.464 1.00 0.00 N ATOM 170 CA LEU A 10 -6.673 14.696 -3.245 1.00 0.00 C ATOM 171 C LEU A 10 -5.896 15.949 -3.640 1.00 0.00 C ATOM 172 O LEU A 10 -4.685 15.938 -3.744 1.00 0.00 O ATOM 173 CB LEU A 10 -6.993 14.719 -1.746 1.00 0.00 C ATOM 174 CG LEU A 10 -5.795 14.206 -0.940 1.00 0.00 C ATOM 175 CD1 LEU A 10 -4.635 15.196 -1.068 1.00 0.00 C ATOM 176 CD2 LEU A 10 -6.190 14.074 0.533 1.00 0.00 C ATOM 0 H LEU A 10 -4.894 13.529 -3.086 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.580 14.675 -3.849 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -7.241 15.734 -1.436 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -7.868 14.101 -1.544 1.00 0.00 H new ATOM 0 HG LEU A 10 -5.489 13.233 -1.323 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.782 14.833 -0.495 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.353 15.293 -2.117 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.943 16.168 -0.684 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -5.338 13.709 1.107 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -6.496 15.048 0.916 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.018 13.371 0.626 1.00 0.00 H new ATOM 188 N ASN A 11 -6.586 17.031 -3.860 1.00 0.00 N ATOM 189 CA ASN A 11 -5.894 18.292 -4.249 1.00 0.00 C ATOM 190 C ASN A 11 -5.544 19.105 -3.001 1.00 0.00 C ATOM 191 O ASN A 11 -6.218 19.018 -1.993 1.00 0.00 O ATOM 192 CB ASN A 11 -6.898 19.047 -5.120 1.00 0.00 C ATOM 193 CG ASN A 11 -6.440 19.008 -6.580 1.00 0.00 C ATOM 194 OD1 ASN A 11 -5.467 19.639 -6.940 1.00 0.00 O ATOM 195 ND2 ASN A 11 -7.106 18.287 -7.440 1.00 0.00 N ATOM 0 H ASN A 11 -7.601 17.098 -3.787 1.00 0.00 H new ATOM 0 HA ASN A 11 -4.960 18.105 -4.779 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -7.887 18.598 -5.026 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -6.984 20.080 -4.782 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -6.809 18.253 -8.415 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -7.923 17.757 -7.137 1.00 0.00 H new ATOM 202 N PRO A 12 -4.492 19.870 -3.113 1.00 0.00 N ATOM 203 CA PRO A 12 -4.035 20.709 -1.986 1.00 0.00 C ATOM 204 C PRO A 12 -4.844 22.003 -1.921 1.00 0.00 C ATOM 205 O PRO A 12 -4.302 23.083 -1.786 1.00 0.00 O ATOM 206 CB PRO A 12 -2.578 20.997 -2.325 1.00 0.00 C ATOM 207 CG PRO A 12 -2.484 20.872 -3.818 1.00 0.00 C ATOM 208 CD PRO A 12 -3.639 20.019 -4.291 1.00 0.00 C ATOM 0 HA PRO A 12 -4.156 20.227 -1.016 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -2.288 21.995 -1.995 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -1.912 20.291 -1.829 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -2.521 21.856 -4.285 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.534 20.419 -4.103 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -4.175 20.497 -5.111 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.294 19.052 -4.656 1.00 0.00 H new ATOM 216 N ASN A 13 -6.135 21.899 -2.012 1.00 0.00 N ATOM 217 CA ASN A 13 -6.989 23.120 -1.951 1.00 0.00 C ATOM 218 C ASN A 13 -7.053 23.635 -0.510 1.00 0.00 C ATOM 219 O ASN A 13 -6.621 24.730 -0.211 1.00 0.00 O ATOM 220 CB ASN A 13 -8.369 22.663 -2.426 1.00 0.00 C ATOM 221 CG ASN A 13 -9.322 23.858 -2.463 1.00 0.00 C ATOM 222 OD1 ASN A 13 -8.873 25.025 -2.839 1.00 0.00 O flip ATOM 223 ND2 ASN A 13 -10.488 23.731 -2.147 1.00 0.00 N flip ATOM 0 H ASN A 13 -6.641 21.021 -2.126 1.00 0.00 H new ATOM 0 HA ASN A 13 -6.602 23.934 -2.565 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -8.293 22.215 -3.417 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -8.759 21.895 -1.758 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -10.840 22.820 -1.853 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -11.115 24.535 -2.176 1.00 0.00 H new ATOM 230 N LEU A 14 -7.584 22.847 0.385 1.00 0.00 N ATOM 231 CA LEU A 14 -7.670 23.284 1.807 1.00 0.00 C ATOM 232 C LEU A 14 -6.267 23.551 2.360 1.00 0.00 C ATOM 233 O LEU A 14 -5.278 23.133 1.792 1.00 0.00 O ATOM 234 CB LEU A 14 -8.313 22.104 2.537 1.00 0.00 C ATOM 235 CG LEU A 14 -9.698 22.502 3.051 1.00 0.00 C ATOM 236 CD1 LEU A 14 -10.464 23.245 1.953 1.00 0.00 C ATOM 237 CD2 LEU A 14 -10.472 21.244 3.443 1.00 0.00 C ATOM 0 H LEU A 14 -7.962 21.919 0.193 1.00 0.00 H new ATOM 0 HA LEU A 14 -8.242 24.204 1.927 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -8.397 21.251 1.864 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -7.682 21.793 3.370 1.00 0.00 H new ATOM 0 HG LEU A 14 -9.587 23.153 3.918 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -11.450 23.526 2.324 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -9.914 24.142 1.669 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -10.575 22.596 1.084 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -11.460 21.524 3.810 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -10.578 20.596 2.573 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -9.931 20.713 4.226 1.00 0.00 H new ATOM 249 N ASP A 15 -6.172 24.236 3.468 1.00 0.00 N ATOM 250 CA ASP A 15 -4.829 24.514 4.054 1.00 0.00 C ATOM 251 C ASP A 15 -4.345 23.293 4.839 1.00 0.00 C ATOM 252 O ASP A 15 -4.980 22.258 4.844 1.00 0.00 O ATOM 253 CB ASP A 15 -5.039 25.705 4.991 1.00 0.00 C ATOM 254 CG ASP A 15 -5.905 25.275 6.177 1.00 0.00 C ATOM 255 OD1 ASP A 15 -6.468 24.195 6.113 1.00 0.00 O ATOM 256 OD2 ASP A 15 -5.990 26.034 7.128 1.00 0.00 O ATOM 0 H ASP A 15 -6.962 24.614 3.991 1.00 0.00 H new ATOM 0 HA ASP A 15 -4.079 24.728 3.292 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -4.077 26.077 5.345 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -5.519 26.523 4.454 1.00 0.00 H new ATOM 261 N GLN A 16 -3.228 23.404 5.503 1.00 0.00 N ATOM 262 CA GLN A 16 -2.712 22.245 6.284 1.00 0.00 C ATOM 263 C GLN A 16 -3.643 21.943 7.462 1.00 0.00 C ATOM 264 O GLN A 16 -3.916 20.799 7.772 1.00 0.00 O ATOM 265 CB GLN A 16 -1.336 22.686 6.785 1.00 0.00 C ATOM 266 CG GLN A 16 -0.773 21.627 7.736 1.00 0.00 C ATOM 267 CD GLN A 16 0.616 21.198 7.257 1.00 0.00 C ATOM 268 OE1 GLN A 16 0.955 20.033 7.306 1.00 0.00 O ATOM 269 NE2 GLN A 16 1.439 22.098 6.793 1.00 0.00 N ATOM 0 H GLN A 16 -2.651 24.245 5.539 1.00 0.00 H new ATOM 0 HA GLN A 16 -2.655 21.336 5.685 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -0.660 22.829 5.942 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -1.414 23.645 7.297 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -0.713 22.027 8.748 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -1.439 20.765 7.773 1.00 0.00 H new ATOM 0 HE21 GLN A 16 1.154 23.077 6.752 1.00 0.00 H new ATOM 0 HE22 GLN A 16 2.367 21.823 6.471 1.00 0.00 H new ATOM 278 N SER A 17 -4.125 22.957 8.126 1.00 0.00 N ATOM 279 CA SER A 17 -5.028 22.728 9.285 1.00 0.00 C ATOM 280 C SER A 17 -6.311 22.022 8.837 1.00 0.00 C ATOM 281 O SER A 17 -6.747 21.066 9.446 1.00 0.00 O ATOM 282 CB SER A 17 -5.341 24.122 9.824 1.00 0.00 C ATOM 283 OG SER A 17 -5.079 24.156 11.220 1.00 0.00 O ATOM 0 H SER A 17 -3.931 23.936 7.914 1.00 0.00 H new ATOM 0 HA SER A 17 -4.570 22.091 10.041 1.00 0.00 H new ATOM 0 HB2 SER A 17 -4.734 24.868 9.310 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.384 24.373 9.632 1.00 0.00 H new ATOM 0 HG SER A 17 -5.277 25.050 11.568 1.00 0.00 H new ATOM 289 N GLN A 18 -6.917 22.483 7.778 1.00 0.00 N ATOM 290 CA GLN A 18 -8.168 21.828 7.299 1.00 0.00 C ATOM 291 C GLN A 18 -7.860 20.409 6.820 1.00 0.00 C ATOM 292 O GLN A 18 -8.590 19.478 7.091 1.00 0.00 O ATOM 293 CB GLN A 18 -8.655 22.696 6.137 1.00 0.00 C ATOM 294 CG GLN A 18 -9.026 24.086 6.659 1.00 0.00 C ATOM 295 CD GLN A 18 -10.286 23.991 7.520 1.00 0.00 C ATOM 296 OE1 GLN A 18 -11.383 23.904 7.005 1.00 0.00 O ATOM 297 NE2 GLN A 18 -10.176 24.004 8.822 1.00 0.00 N ATOM 0 H GLN A 18 -6.603 23.281 7.226 1.00 0.00 H new ATOM 0 HA GLN A 18 -8.921 21.746 8.083 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -7.877 22.777 5.378 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -9.519 22.233 5.660 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -8.204 24.497 7.244 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -9.194 24.766 5.824 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -9.256 24.077 9.255 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -11.011 23.941 9.405 1.00 0.00 H new ATOM 306 N LEU A 19 -6.776 20.239 6.114 1.00 0.00 N ATOM 307 CA LEU A 19 -6.413 18.881 5.621 1.00 0.00 C ATOM 308 C LEU A 19 -6.274 17.915 6.803 1.00 0.00 C ATOM 309 O LEU A 19 -6.609 16.751 6.706 1.00 0.00 O ATOM 310 CB LEU A 19 -5.070 19.070 4.912 1.00 0.00 C ATOM 311 CG LEU A 19 -4.443 17.707 4.611 1.00 0.00 C ATOM 312 CD1 LEU A 19 -4.510 17.436 3.107 1.00 0.00 C ATOM 313 CD2 LEU A 19 -2.981 17.712 5.060 1.00 0.00 C ATOM 0 H LEU A 19 -6.126 20.982 5.857 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.167 18.460 4.956 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.213 19.627 3.986 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.399 19.659 5.537 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.988 16.929 5.146 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.063 16.465 2.892 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.551 17.436 2.783 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.964 18.213 2.573 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.532 16.742 4.847 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.438 18.490 4.523 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.930 17.908 6.131 1.00 0.00 H new ATOM 325 N ALA A 20 -5.777 18.384 7.913 1.00 0.00 N ATOM 326 CA ALA A 20 -5.613 17.492 9.091 1.00 0.00 C ATOM 327 C ALA A 20 -6.969 16.932 9.530 1.00 0.00 C ATOM 328 O ALA A 20 -7.075 15.800 9.958 1.00 0.00 O ATOM 329 CB ALA A 20 -5.021 18.383 10.182 1.00 0.00 C ATOM 0 H ALA A 20 -5.477 19.349 8.054 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.975 16.635 8.873 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.869 17.797 11.088 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -4.065 18.784 9.845 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -5.706 19.205 10.392 1.00 0.00 H new ATOM 335 N LEU A 21 -8.003 17.723 9.442 1.00 0.00 N ATOM 336 CA LEU A 21 -9.345 17.245 9.867 1.00 0.00 C ATOM 337 C LEU A 21 -9.854 16.139 8.932 1.00 0.00 C ATOM 338 O LEU A 21 -10.533 15.223 9.352 1.00 0.00 O ATOM 339 CB LEU A 21 -10.246 18.491 9.814 1.00 0.00 C ATOM 340 CG LEU A 21 -10.929 18.609 8.445 1.00 0.00 C ATOM 341 CD1 LEU A 21 -12.160 17.701 8.409 1.00 0.00 C ATOM 342 CD2 LEU A 21 -11.362 20.058 8.216 1.00 0.00 C ATOM 0 H LEU A 21 -7.974 18.681 9.093 1.00 0.00 H new ATOM 0 HA LEU A 21 -9.329 16.804 10.864 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -11.000 18.434 10.599 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -9.652 19.384 10.008 1.00 0.00 H new ATOM 0 HG LEU A 21 -10.231 18.308 7.664 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -12.645 17.785 7.437 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -11.855 16.668 8.575 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -12.858 18.003 9.190 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -11.847 20.143 7.244 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -12.060 20.357 8.998 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -10.487 20.708 8.243 1.00 0.00 H new ATOM 354 N GLU A 22 -9.544 16.225 7.667 1.00 0.00 N ATOM 355 CA GLU A 22 -10.025 15.184 6.711 1.00 0.00 C ATOM 356 C GLU A 22 -9.405 13.823 7.048 1.00 0.00 C ATOM 357 O GLU A 22 -9.959 12.786 6.740 1.00 0.00 O ATOM 358 CB GLU A 22 -9.582 15.674 5.327 1.00 0.00 C ATOM 359 CG GLU A 22 -8.122 15.291 5.070 1.00 0.00 C ATOM 360 CD GLU A 22 -8.069 14.059 4.166 1.00 0.00 C ATOM 361 OE1 GLU A 22 -8.850 13.150 4.392 1.00 0.00 O ATOM 362 OE2 GLU A 22 -7.251 14.047 3.261 1.00 0.00 O ATOM 0 H GLU A 22 -8.980 16.968 7.254 1.00 0.00 H new ATOM 0 HA GLU A 22 -11.105 15.047 6.756 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.220 15.238 4.558 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.698 16.756 5.262 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.594 16.122 4.602 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -7.618 15.084 6.014 1.00 0.00 H new ATOM 369 N LYS A 23 -8.265 13.817 7.682 1.00 0.00 N ATOM 370 CA LYS A 23 -7.620 12.521 8.042 1.00 0.00 C ATOM 371 C LYS A 23 -8.470 11.793 9.085 1.00 0.00 C ATOM 372 O LYS A 23 -8.607 10.587 9.058 1.00 0.00 O ATOM 373 CB LYS A 23 -6.262 12.902 8.630 1.00 0.00 C ATOM 374 CG LYS A 23 -5.163 12.623 7.603 1.00 0.00 C ATOM 375 CD LYS A 23 -4.691 13.945 6.994 1.00 0.00 C ATOM 376 CE LYS A 23 -3.391 13.715 6.217 1.00 0.00 C ATOM 377 NZ LYS A 23 -3.718 12.655 5.223 1.00 0.00 N ATOM 0 H LYS A 23 -7.752 14.652 7.966 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.517 11.855 7.186 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.257 13.956 8.906 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.076 12.333 9.541 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.327 12.110 8.078 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.539 11.963 6.821 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.457 14.346 6.331 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -4.532 14.683 7.780 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -3.059 14.629 5.724 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -2.586 13.399 6.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -3.073 12.730 4.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -3.611 11.720 5.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -4.699 12.774 4.899 1.00 0.00 H new ATOM 391 N GLU A 24 -9.042 12.522 10.004 1.00 0.00 N ATOM 392 CA GLU A 24 -9.886 11.877 11.049 1.00 0.00 C ATOM 393 C GLU A 24 -11.125 11.244 10.411 1.00 0.00 C ATOM 394 O GLU A 24 -11.599 10.211 10.841 1.00 0.00 O ATOM 395 CB GLU A 24 -10.288 13.017 11.988 1.00 0.00 C ATOM 396 CG GLU A 24 -10.587 12.452 13.378 1.00 0.00 C ATOM 397 CD GLU A 24 -11.469 13.437 14.149 1.00 0.00 C ATOM 398 OE1 GLU A 24 -12.204 14.169 13.509 1.00 0.00 O ATOM 399 OE2 GLU A 24 -11.394 13.439 15.367 1.00 0.00 O ATOM 0 H GLU A 24 -8.961 13.536 10.076 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.359 11.081 11.575 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -9.486 13.753 12.048 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.165 13.532 11.597 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -11.089 11.489 13.291 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.657 12.279 13.920 1.00 0.00 H new ATOM 406 N ILE A 25 -11.653 11.856 9.387 1.00 0.00 N ATOM 407 CA ILE A 25 -12.860 11.295 8.721 1.00 0.00 C ATOM 408 C ILE A 25 -12.530 9.952 8.062 1.00 0.00 C ATOM 409 O ILE A 25 -13.286 9.006 8.151 1.00 0.00 O ATOM 410 CB ILE A 25 -13.239 12.337 7.671 1.00 0.00 C ATOM 411 CG1 ILE A 25 -13.539 13.668 8.364 1.00 0.00 C ATOM 412 CG2 ILE A 25 -14.476 11.868 6.910 1.00 0.00 C ATOM 413 CD1 ILE A 25 -14.763 13.510 9.269 1.00 0.00 C ATOM 0 H ILE A 25 -11.299 12.723 8.982 1.00 0.00 H new ATOM 0 HA ILE A 25 -13.673 11.104 9.421 1.00 0.00 H new ATOM 0 HB ILE A 25 -12.413 12.468 6.972 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -12.678 13.986 8.952 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -13.721 14.444 7.620 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -14.746 12.612 6.161 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -14.263 10.919 6.418 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -15.304 11.738 7.607 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -14.976 14.459 9.762 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -15.623 13.212 8.669 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -14.563 12.747 10.021 1.00 0.00 H new ATOM 425 N ILE A 26 -11.404 9.858 7.408 1.00 0.00 N ATOM 426 CA ILE A 26 -11.032 8.570 6.754 1.00 0.00 C ATOM 427 C ILE A 26 -10.816 7.494 7.819 1.00 0.00 C ATOM 428 O ILE A 26 -11.322 6.394 7.717 1.00 0.00 O ATOM 429 CB ILE A 26 -9.727 8.857 6.012 1.00 0.00 C ATOM 430 CG1 ILE A 26 -9.941 10.009 5.028 1.00 0.00 C ATOM 431 CG2 ILE A 26 -9.291 7.607 5.246 1.00 0.00 C ATOM 432 CD1 ILE A 26 -10.992 9.612 3.988 1.00 0.00 C ATOM 0 H ILE A 26 -10.728 10.614 7.298 1.00 0.00 H new ATOM 0 HA ILE A 26 -11.807 8.208 6.079 1.00 0.00 H new ATOM 0 HB ILE A 26 -8.954 9.132 6.730 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -10.264 10.902 5.563 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -9.002 10.257 4.533 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -8.360 7.811 4.717 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -9.138 6.786 5.946 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -10.064 7.332 4.528 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -11.141 10.435 3.289 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -10.651 8.731 3.444 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -11.933 9.386 4.490 1.00 0.00 H new ATOM 444 N GLN A 27 -10.072 7.806 8.844 1.00 0.00 N ATOM 445 CA GLN A 27 -9.828 6.806 9.920 1.00 0.00 C ATOM 446 C GLN A 27 -11.160 6.367 10.531 1.00 0.00 C ATOM 447 O GLN A 27 -11.368 5.209 10.830 1.00 0.00 O ATOM 448 CB GLN A 27 -8.976 7.543 10.955 1.00 0.00 C ATOM 449 CG GLN A 27 -7.512 7.521 10.516 1.00 0.00 C ATOM 450 CD GLN A 27 -7.043 6.071 10.387 1.00 0.00 C ATOM 451 OE1 GLN A 27 -7.189 5.288 11.303 1.00 0.00 O ATOM 452 NE2 GLN A 27 -6.481 5.678 9.277 1.00 0.00 N ATOM 0 H GLN A 27 -9.622 8.711 8.983 1.00 0.00 H new ATOM 0 HA GLN A 27 -9.332 5.907 9.553 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -9.320 8.572 11.060 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -9.081 7.071 11.932 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -7.399 8.038 9.563 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -6.895 8.051 11.241 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -6.358 6.336 8.507 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -6.165 4.713 9.179 1.00 0.00 H new ATOM 461 N ARG A 28 -12.060 7.291 10.721 1.00 0.00 N ATOM 462 CA ARG A 28 -13.382 6.942 11.313 1.00 0.00 C ATOM 463 C ARG A 28 -14.261 6.200 10.297 1.00 0.00 C ATOM 464 O ARG A 28 -15.089 5.389 10.660 1.00 0.00 O ATOM 465 CB ARG A 28 -14.011 8.284 11.677 1.00 0.00 C ATOM 466 CG ARG A 28 -13.340 8.836 12.936 1.00 0.00 C ATOM 467 CD ARG A 28 -13.838 8.065 14.160 1.00 0.00 C ATOM 468 NE ARG A 28 -12.810 8.308 15.210 1.00 0.00 N ATOM 469 CZ ARG A 28 -12.589 7.407 16.129 1.00 0.00 C ATOM 470 NH1 ARG A 28 -13.562 6.636 16.535 1.00 0.00 N ATOM 471 NH2 ARG A 28 -11.396 7.277 16.640 1.00 0.00 N ATOM 0 H ARG A 28 -11.936 8.277 10.491 1.00 0.00 H new ATOM 0 HA ARG A 28 -13.280 6.281 12.174 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -13.896 8.987 10.852 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -15.081 8.163 11.846 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -12.257 8.746 12.853 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -13.565 9.897 13.045 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -14.819 8.419 14.478 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -13.938 7.001 13.943 1.00 0.00 H new ATOM 0 HE ARG A 28 -12.278 9.179 15.211 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -14.494 6.738 16.134 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -13.389 5.932 17.253 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -10.637 7.879 16.322 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -11.223 6.573 17.358 1.00 0.00 H new ATOM 485 N ALA A 29 -14.111 6.488 9.031 1.00 0.00 N ATOM 486 CA ALA A 29 -14.962 5.817 8.014 1.00 0.00 C ATOM 487 C ALA A 29 -14.599 4.342 7.884 1.00 0.00 C ATOM 488 O ALA A 29 -15.457 3.484 7.939 1.00 0.00 O ATOM 489 CB ALA A 29 -14.690 6.561 6.708 1.00 0.00 C ATOM 0 H ALA A 29 -13.437 7.158 8.661 1.00 0.00 H new ATOM 0 HA ALA A 29 -16.017 5.848 8.287 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -15.285 6.121 5.908 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -14.959 7.611 6.825 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -13.632 6.483 6.458 1.00 0.00 H new ATOM 495 N LEU A 30 -13.345 4.020 7.740 1.00 0.00 N ATOM 496 CA LEU A 30 -12.998 2.577 7.646 1.00 0.00 C ATOM 497 C LEU A 30 -13.589 1.902 8.872 1.00 0.00 C ATOM 498 O LEU A 30 -14.048 0.778 8.831 1.00 0.00 O ATOM 499 CB LEU A 30 -11.470 2.496 7.653 1.00 0.00 C ATOM 500 CG LEU A 30 -10.912 3.310 8.818 1.00 0.00 C ATOM 501 CD1 LEU A 30 -10.646 2.390 10.009 1.00 0.00 C ATOM 502 CD2 LEU A 30 -9.605 3.972 8.386 1.00 0.00 C ATOM 0 H LEU A 30 -12.564 4.674 7.684 1.00 0.00 H new ATOM 0 HA LEU A 30 -13.384 2.092 6.749 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -11.153 1.457 7.739 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -11.073 2.874 6.711 1.00 0.00 H new ATOM 0 HG LEU A 30 -11.634 4.073 9.108 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -10.248 2.974 10.838 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -11.577 1.913 10.315 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -9.923 1.626 9.724 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -9.201 4.555 9.214 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -8.886 3.205 8.098 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.793 4.629 7.537 1.00 0.00 H new ATOM 514 N GLU A 31 -13.608 2.617 9.962 1.00 0.00 N ATOM 515 CA GLU A 31 -14.192 2.079 11.207 1.00 0.00 C ATOM 516 C GLU A 31 -15.705 1.924 11.032 1.00 0.00 C ATOM 517 O GLU A 31 -16.307 1.012 11.564 1.00 0.00 O ATOM 518 CB GLU A 31 -13.877 3.123 12.279 1.00 0.00 C ATOM 519 CG GLU A 31 -12.484 2.862 12.854 1.00 0.00 C ATOM 520 CD GLU A 31 -12.551 1.690 13.836 1.00 0.00 C ATOM 521 OE1 GLU A 31 -13.424 1.708 14.688 1.00 0.00 O ATOM 522 OE2 GLU A 31 -11.730 0.797 13.718 1.00 0.00 O ATOM 0 H GLU A 31 -13.237 3.564 10.037 1.00 0.00 H new ATOM 0 HA GLU A 31 -13.792 1.100 11.472 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -13.923 4.124 11.851 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -14.623 3.081 13.073 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -11.783 2.638 12.050 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -12.114 3.754 13.360 1.00 0.00 H new ATOM 529 N ASN A 32 -16.327 2.805 10.283 1.00 0.00 N ATOM 530 CA ASN A 32 -17.793 2.691 10.079 1.00 0.00 C ATOM 531 C ASN A 32 -18.107 1.340 9.444 1.00 0.00 C ATOM 532 O ASN A 32 -19.049 0.667 9.813 1.00 0.00 O ATOM 533 CB ASN A 32 -18.151 3.834 9.127 1.00 0.00 C ATOM 534 CG ASN A 32 -19.646 4.142 9.236 1.00 0.00 C ATOM 535 OD1 ASN A 32 -20.028 5.212 9.667 1.00 0.00 O ATOM 536 ND2 ASN A 32 -20.515 3.243 8.860 1.00 0.00 N ATOM 0 H ASN A 32 -15.880 3.590 9.810 1.00 0.00 H new ATOM 0 HA ASN A 32 -18.358 2.755 11.009 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -17.568 4.721 9.372 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -17.899 3.560 8.102 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -21.514 3.439 8.928 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -20.195 2.345 8.498 1.00 0.00 H new ATOM 543 N TYR A 33 -17.311 0.940 8.494 1.00 0.00 N ATOM 544 CA TYR A 33 -17.528 -0.354 7.828 1.00 0.00 C ATOM 545 C TYR A 33 -16.843 -1.467 8.634 1.00 0.00 C ATOM 546 O TYR A 33 -16.998 -2.638 8.353 1.00 0.00 O ATOM 547 CB TYR A 33 -16.890 -0.160 6.448 1.00 0.00 C ATOM 548 CG TYR A 33 -16.272 -1.449 5.972 1.00 0.00 C ATOM 549 CD1 TYR A 33 -15.023 -1.830 6.465 1.00 0.00 C ATOM 550 CD2 TYR A 33 -16.942 -2.261 5.053 1.00 0.00 C ATOM 551 CE1 TYR A 33 -14.439 -3.022 6.043 1.00 0.00 C ATOM 552 CE2 TYR A 33 -16.359 -3.458 4.626 1.00 0.00 C ATOM 553 CZ TYR A 33 -15.106 -3.841 5.122 1.00 0.00 C ATOM 554 OH TYR A 33 -14.528 -5.023 4.704 1.00 0.00 O ATOM 0 H TYR A 33 -16.509 1.470 8.152 1.00 0.00 H new ATOM 0 HA TYR A 33 -18.575 -0.646 7.748 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -17.644 0.175 5.735 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -16.130 0.619 6.498 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -14.508 -1.199 7.175 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -17.909 -1.964 4.673 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -13.472 -3.315 6.425 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -16.874 -4.087 3.915 1.00 0.00 H new ATOM 0 HH TYR A 33 -13.564 -4.892 4.585 1.00 0.00 H new ATOM 564 N GLY A 34 -16.085 -1.103 9.633 1.00 0.00 N ATOM 565 CA GLY A 34 -15.389 -2.121 10.458 1.00 0.00 C ATOM 566 C GLY A 34 -14.176 -2.665 9.699 1.00 0.00 C ATOM 567 O GLY A 34 -14.111 -3.833 9.371 1.00 0.00 O ATOM 0 H GLY A 34 -15.919 -0.136 9.912 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -15.070 -1.680 11.403 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -16.072 -2.935 10.700 1.00 0.00 H new ATOM 571 N ALA A 35 -13.211 -1.830 9.422 1.00 0.00 N ATOM 572 CA ALA A 35 -12.001 -2.306 8.690 1.00 0.00 C ATOM 573 C ALA A 35 -10.780 -2.269 9.615 1.00 0.00 C ATOM 574 O ALA A 35 -10.526 -1.289 10.285 1.00 0.00 O ATOM 575 CB ALA A 35 -11.829 -1.326 7.528 1.00 0.00 C ATOM 0 H ALA A 35 -13.208 -0.841 9.670 1.00 0.00 H new ATOM 0 HA ALA A 35 -12.104 -3.333 8.341 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -10.956 -1.609 6.939 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -12.717 -1.351 6.896 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -11.691 -0.318 7.919 1.00 0.00 H new ATOM 581 N ARG A 36 -10.031 -3.337 9.665 1.00 0.00 N ATOM 582 CA ARG A 36 -8.840 -3.379 10.553 1.00 0.00 C ATOM 583 C ARG A 36 -7.596 -2.847 9.855 1.00 0.00 C ATOM 584 O ARG A 36 -7.353 -3.092 8.690 1.00 0.00 O ATOM 585 CB ARG A 36 -8.668 -4.843 10.912 1.00 0.00 C ATOM 586 CG ARG A 36 -7.260 -5.093 11.456 1.00 0.00 C ATOM 587 CD ARG A 36 -7.355 -5.865 12.774 1.00 0.00 C ATOM 588 NE ARG A 36 -6.431 -5.158 13.703 1.00 0.00 N ATOM 589 CZ ARG A 36 -6.383 -5.501 14.961 1.00 0.00 C ATOM 590 NH1 ARG A 36 -7.408 -6.091 15.515 1.00 0.00 N ATOM 591 NH2 ARG A 36 -5.311 -5.257 15.662 1.00 0.00 N ATOM 0 H ARG A 36 -10.196 -4.186 9.125 1.00 0.00 H new ATOM 0 HA ARG A 36 -8.978 -2.749 11.432 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -9.410 -5.132 11.657 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -8.841 -5.463 10.033 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -6.673 -5.658 10.732 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.745 -4.145 11.613 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -8.375 -5.867 13.158 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -7.062 -6.907 12.643 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.836 -4.406 13.356 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -8.245 -6.283 14.964 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -7.372 -6.360 16.498 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -4.511 -4.798 15.227 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.273 -5.525 16.645 1.00 0.00 H new ATOM 605 N VAL A 37 -6.811 -2.123 10.585 1.00 0.00 N ATOM 606 CA VAL A 37 -5.554 -1.551 10.017 1.00 0.00 C ATOM 607 C VAL A 37 -4.342 -2.314 10.556 1.00 0.00 C ATOM 608 O VAL A 37 -4.110 -2.371 11.747 1.00 0.00 O ATOM 609 CB VAL A 37 -5.531 -0.098 10.491 1.00 0.00 C ATOM 610 CG1 VAL A 37 -5.282 -0.056 12.000 1.00 0.00 C ATOM 611 CG2 VAL A 37 -4.411 0.655 9.769 1.00 0.00 C ATOM 0 H VAL A 37 -6.981 -1.895 11.565 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.518 -1.623 8.930 1.00 0.00 H new ATOM 0 HB VAL A 37 -6.489 0.372 10.268 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -5.266 0.980 12.337 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.078 -0.593 12.515 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.324 -0.526 12.224 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -4.393 1.691 10.106 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.453 0.184 9.992 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.587 0.626 8.694 1.00 0.00 H new ATOM 621 N GLU A 38 -3.570 -2.904 9.687 1.00 0.00 N ATOM 622 CA GLU A 38 -2.376 -3.665 10.149 1.00 0.00 C ATOM 623 C GLU A 38 -1.109 -2.824 9.976 1.00 0.00 C ATOM 624 O GLU A 38 -0.119 -3.035 10.649 1.00 0.00 O ATOM 625 CB GLU A 38 -2.325 -4.902 9.250 1.00 0.00 C ATOM 626 CG GLU A 38 -2.964 -6.092 9.972 1.00 0.00 C ATOM 627 CD GLU A 38 -2.072 -6.523 11.138 1.00 0.00 C ATOM 628 OE1 GLU A 38 -0.970 -6.006 11.239 1.00 0.00 O ATOM 629 OE2 GLU A 38 -2.504 -7.364 11.908 1.00 0.00 O ATOM 0 H GLU A 38 -3.714 -2.892 8.677 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.438 -3.928 11.205 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.851 -4.706 8.316 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.292 -5.133 8.992 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -3.953 -5.819 10.339 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.099 -6.922 9.278 1.00 0.00 H new ATOM 636 N LYS A 39 -1.128 -1.872 9.080 1.00 0.00 N ATOM 637 CA LYS A 39 0.087 -1.028 8.872 1.00 0.00 C ATOM 638 C LYS A 39 -0.253 0.237 8.079 1.00 0.00 C ATOM 639 O LYS A 39 -1.046 0.213 7.158 1.00 0.00 O ATOM 640 CB LYS A 39 1.048 -1.911 8.074 1.00 0.00 C ATOM 641 CG LYS A 39 1.983 -2.652 9.031 1.00 0.00 C ATOM 642 CD LYS A 39 1.588 -4.129 9.087 1.00 0.00 C ATOM 643 CE LYS A 39 2.648 -4.969 8.371 1.00 0.00 C ATOM 644 NZ LYS A 39 3.831 -4.943 9.274 1.00 0.00 N ATOM 0 H LYS A 39 -1.926 -1.643 8.487 1.00 0.00 H new ATOM 0 HA LYS A 39 0.515 -0.696 9.818 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.486 -2.626 7.473 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.629 -1.301 7.383 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.016 -2.553 8.697 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.926 -2.211 10.026 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.492 -4.452 10.124 1.00 0.00 H new ATOM 0 HD3 LYS A 39 0.615 -4.274 8.617 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.299 -5.988 8.206 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.888 -4.552 7.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.100 -5.917 9.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.625 -4.476 8.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.595 -4.418 10.140 1.00 0.00 H new ATOM 658 N VAL A 40 0.354 1.340 8.426 1.00 0.00 N ATOM 659 CA VAL A 40 0.086 2.612 7.694 1.00 0.00 C ATOM 660 C VAL A 40 1.410 3.311 7.360 1.00 0.00 C ATOM 661 O VAL A 40 2.240 3.527 8.221 1.00 0.00 O ATOM 662 CB VAL A 40 -0.743 3.459 8.659 1.00 0.00 C ATOM 663 CG1 VAL A 40 -0.106 3.422 10.050 1.00 0.00 C ATOM 664 CG2 VAL A 40 -0.785 4.904 8.160 1.00 0.00 C ATOM 0 H VAL A 40 1.027 1.415 9.189 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.436 2.448 6.751 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.756 3.060 8.712 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.698 4.026 10.737 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.073 2.393 10.408 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.907 3.820 9.997 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.376 5.509 8.847 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.229 5.300 8.107 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.238 4.934 7.169 1.00 0.00 H new ATOM 674 N GLU A 41 1.618 3.662 6.119 1.00 0.00 N ATOM 675 CA GLU A 41 2.893 4.341 5.741 1.00 0.00 C ATOM 676 C GLU A 41 2.636 5.811 5.397 1.00 0.00 C ATOM 677 O GLU A 41 1.742 6.136 4.641 1.00 0.00 O ATOM 678 CB GLU A 41 3.396 3.582 4.511 1.00 0.00 C ATOM 679 CG GLU A 41 4.795 4.082 4.138 1.00 0.00 C ATOM 680 CD GLU A 41 5.286 3.345 2.890 1.00 0.00 C ATOM 681 OE1 GLU A 41 4.517 3.234 1.950 1.00 0.00 O ATOM 682 OE2 GLU A 41 6.424 2.905 2.896 1.00 0.00 O ATOM 0 H GLU A 41 0.963 3.509 5.352 1.00 0.00 H new ATOM 0 HA GLU A 41 3.619 4.331 6.554 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.424 2.512 4.717 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.711 3.728 3.675 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.771 5.156 3.953 1.00 0.00 H new ATOM 0 HG3 GLU A 41 5.484 3.916 4.966 1.00 0.00 H new ATOM 689 N GLU A 42 3.416 6.703 5.944 1.00 0.00 N ATOM 690 CA GLU A 42 3.220 8.151 5.645 1.00 0.00 C ATOM 691 C GLU A 42 4.145 8.581 4.503 1.00 0.00 C ATOM 692 O GLU A 42 5.353 8.543 4.623 1.00 0.00 O ATOM 693 CB GLU A 42 3.587 8.878 6.937 1.00 0.00 C ATOM 694 CG GLU A 42 2.840 8.241 8.111 1.00 0.00 C ATOM 695 CD GLU A 42 2.481 9.320 9.135 1.00 0.00 C ATOM 696 OE1 GLU A 42 3.378 10.029 9.560 1.00 0.00 O ATOM 697 OE2 GLU A 42 1.314 9.419 9.476 1.00 0.00 O ATOM 0 H GLU A 42 4.181 6.492 6.585 1.00 0.00 H new ATOM 0 HA GLU A 42 2.200 8.375 5.331 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.663 8.824 7.104 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.329 9.934 6.858 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.936 7.747 7.755 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.459 7.475 8.577 1.00 0.00 H new ATOM 704 N LEU A 43 3.587 8.987 3.396 1.00 0.00 N ATOM 705 CA LEU A 43 4.434 9.416 2.246 1.00 0.00 C ATOM 706 C LEU A 43 4.804 10.895 2.381 1.00 0.00 C ATOM 707 O LEU A 43 5.826 11.241 2.939 1.00 0.00 O ATOM 708 CB LEU A 43 3.562 9.196 1.009 1.00 0.00 C ATOM 709 CG LEU A 43 3.743 7.765 0.492 1.00 0.00 C ATOM 710 CD1 LEU A 43 5.231 7.480 0.281 1.00 0.00 C ATOM 711 CD2 LEU A 43 3.175 6.775 1.511 1.00 0.00 C ATOM 0 H LEU A 43 2.581 9.040 3.237 1.00 0.00 H new ATOM 0 HA LEU A 43 5.369 8.858 2.193 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.515 9.374 1.255 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.832 9.910 0.231 1.00 0.00 H new ATOM 0 HG LEU A 43 3.214 7.655 -0.455 1.00 0.00 H new ATOM 0 HD11 LEU A 43 5.358 6.462 -0.087 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.636 8.182 -0.448 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.761 7.593 1.227 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.305 5.758 1.141 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.701 6.886 2.459 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.114 6.974 1.660 1.00 0.00 H new ATOM 723 N GLY A 44 3.980 11.768 1.869 1.00 0.00 N ATOM 724 CA GLY A 44 4.284 13.224 1.963 1.00 0.00 C ATOM 725 C GLY A 44 5.024 13.666 0.700 1.00 0.00 C ATOM 726 O GLY A 44 6.063 14.292 0.764 1.00 0.00 O ATOM 0 H GLY A 44 3.110 11.536 1.390 1.00 0.00 H new ATOM 0 HA2 GLY A 44 3.362 13.794 2.077 1.00 0.00 H new ATOM 0 HA3 GLY A 44 4.893 13.424 2.845 1.00 0.00 H new ATOM 730 N LEU A 45 4.496 13.340 -0.448 1.00 0.00 N ATOM 731 CA LEU A 45 5.167 13.735 -1.718 1.00 0.00 C ATOM 732 C LEU A 45 5.323 15.255 -1.793 1.00 0.00 C ATOM 733 O LEU A 45 4.633 15.995 -1.119 1.00 0.00 O ATOM 734 CB LEU A 45 4.237 13.241 -2.825 1.00 0.00 C ATOM 735 CG LEU A 45 4.979 12.233 -3.701 1.00 0.00 C ATOM 736 CD1 LEU A 45 4.065 11.045 -3.997 1.00 0.00 C ATOM 737 CD2 LEU A 45 5.385 12.903 -5.018 1.00 0.00 C ATOM 0 H LEU A 45 3.628 12.817 -0.561 1.00 0.00 H new ATOM 0 HA LEU A 45 6.168 13.311 -1.801 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.351 12.778 -2.391 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.895 14.081 -3.429 1.00 0.00 H new ATOM 0 HG LEU A 45 5.870 11.885 -3.179 1.00 0.00 H new ATOM 0 HD11 LEU A 45 4.594 10.326 -4.622 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.774 10.568 -3.061 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.174 11.393 -4.519 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.915 12.184 -5.644 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.493 13.250 -5.540 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.037 13.751 -4.809 1.00 0.00 H new ATOM 749 N ARG A 46 6.224 15.725 -2.612 1.00 0.00 N ATOM 750 CA ARG A 46 6.426 17.197 -2.740 1.00 0.00 C ATOM 751 C ARG A 46 5.992 17.666 -4.133 1.00 0.00 C ATOM 752 O ARG A 46 5.362 16.939 -4.873 1.00 0.00 O ATOM 753 CB ARG A 46 7.927 17.408 -2.549 1.00 0.00 C ATOM 754 CG ARG A 46 8.165 18.359 -1.374 1.00 0.00 C ATOM 755 CD ARG A 46 8.157 19.805 -1.878 1.00 0.00 C ATOM 756 NE ARG A 46 9.192 20.503 -1.066 1.00 0.00 N ATOM 757 CZ ARG A 46 10.248 21.006 -1.646 1.00 0.00 C ATOM 758 NH1 ARG A 46 10.226 22.232 -2.092 1.00 0.00 N ATOM 759 NH2 ARG A 46 11.327 20.283 -1.779 1.00 0.00 N ATOM 0 H ARG A 46 6.830 15.152 -3.199 1.00 0.00 H new ATOM 0 HA ARG A 46 5.840 17.761 -2.015 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.418 16.453 -2.362 1.00 0.00 H new ATOM 0 HB3 ARG A 46 8.365 17.820 -3.458 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.391 18.222 -0.619 1.00 0.00 H new ATOM 0 HG3 ARG A 46 9.119 18.134 -0.898 1.00 0.00 H new ATOM 0 HD2 ARG A 46 8.391 19.853 -2.941 1.00 0.00 H new ATOM 0 HD3 ARG A 46 7.177 20.263 -1.746 1.00 0.00 H new ATOM 0 HE ARG A 46 9.076 20.588 -0.056 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.384 22.798 -1.988 1.00 0.00 H new ATOM 0 HH12 ARG A 46 11.051 22.625 -2.545 1.00 0.00 H new ATOM 0 HH21 ARG A 46 11.345 19.325 -1.430 1.00 0.00 H new ATOM 0 HH22 ARG A 46 12.152 20.676 -2.232 1.00 0.00 H new ATOM 773 N ARG A 47 6.328 18.873 -4.496 1.00 0.00 N ATOM 774 CA ARG A 47 5.934 19.381 -5.842 1.00 0.00 C ATOM 775 C ARG A 47 6.174 18.305 -6.903 1.00 0.00 C ATOM 776 O ARG A 47 6.885 17.346 -6.678 1.00 0.00 O ATOM 777 CB ARG A 47 6.839 20.585 -6.098 1.00 0.00 C ATOM 778 CG ARG A 47 6.162 21.852 -5.575 1.00 0.00 C ATOM 779 CD ARG A 47 6.955 23.082 -6.025 1.00 0.00 C ATOM 780 NE ARG A 47 6.805 24.060 -4.911 1.00 0.00 N ATOM 781 CZ ARG A 47 7.196 25.295 -5.066 1.00 0.00 C ATOM 782 NH1 ARG A 47 7.115 25.864 -6.237 1.00 0.00 N ATOM 783 NH2 ARG A 47 7.667 25.961 -4.048 1.00 0.00 N ATOM 0 H ARG A 47 6.857 19.529 -3.921 1.00 0.00 H new ATOM 0 HA ARG A 47 4.878 19.648 -5.885 1.00 0.00 H new ATOM 0 HB2 ARG A 47 7.800 20.443 -5.604 1.00 0.00 H new ATOM 0 HB3 ARG A 47 7.041 20.682 -7.165 1.00 0.00 H new ATOM 0 HG2 ARG A 47 5.139 21.910 -5.948 1.00 0.00 H new ATOM 0 HG3 ARG A 47 6.104 21.823 -4.487 1.00 0.00 H new ATOM 0 HD2 ARG A 47 8.003 22.836 -6.197 1.00 0.00 H new ATOM 0 HD3 ARG A 47 6.564 23.484 -6.960 1.00 0.00 H new ATOM 0 HE ARG A 47 6.396 23.763 -4.025 1.00 0.00 H new ATOM 0 HH11 ARG A 47 6.746 25.343 -7.033 1.00 0.00 H new ATOM 0 HH12 ARG A 47 7.421 26.830 -6.357 1.00 0.00 H new ATOM 0 HH21 ARG A 47 7.729 25.516 -3.132 1.00 0.00 H new ATOM 0 HH22 ARG A 47 7.973 26.927 -4.168 1.00 0.00 H new ATOM 797 N LEU A 48 5.590 18.461 -8.058 1.00 0.00 N ATOM 798 CA LEU A 48 5.789 17.451 -9.134 1.00 0.00 C ATOM 799 C LEU A 48 7.079 17.749 -9.900 1.00 0.00 C ATOM 800 O LEU A 48 7.588 18.852 -9.874 1.00 0.00 O ATOM 801 CB LEU A 48 4.575 17.603 -10.050 1.00 0.00 C ATOM 802 CG LEU A 48 3.418 16.769 -9.500 1.00 0.00 C ATOM 803 CD1 LEU A 48 2.090 17.353 -9.987 1.00 0.00 C ATOM 804 CD2 LEU A 48 3.551 15.327 -9.993 1.00 0.00 C ATOM 0 H LEU A 48 4.984 19.244 -8.303 1.00 0.00 H new ATOM 0 HA LEU A 48 5.877 16.438 -8.741 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.284 18.651 -10.115 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.824 17.278 -11.060 1.00 0.00 H new ATOM 0 HG LEU A 48 3.444 16.786 -8.410 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.265 16.758 -9.595 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.994 18.381 -9.637 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.063 17.337 -11.077 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.727 14.731 -9.601 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.525 15.311 -11.083 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.497 14.910 -9.647 1.00 0.00 H new ATOM 816 N ALA A 49 7.609 16.775 -10.585 1.00 0.00 N ATOM 817 CA ALA A 49 8.863 17.004 -11.358 1.00 0.00 C ATOM 818 C ALA A 49 8.553 17.829 -12.608 1.00 0.00 C ATOM 819 O ALA A 49 7.620 17.547 -13.332 1.00 0.00 O ATOM 820 CB ALA A 49 9.352 15.607 -11.744 1.00 0.00 C ATOM 0 H ALA A 49 7.229 15.830 -10.644 1.00 0.00 H new ATOM 0 HA ALA A 49 9.613 17.551 -10.787 1.00 0.00 H new ATOM 0 HB1 ALA A 49 10.275 15.690 -12.318 1.00 0.00 H new ATOM 0 HB2 ALA A 49 9.537 15.024 -10.842 1.00 0.00 H new ATOM 0 HB3 ALA A 49 8.593 15.110 -12.348 1.00 0.00 H new ATOM 826 N TYR A 50 9.320 18.854 -12.862 1.00 0.00 N ATOM 827 CA TYR A 50 9.051 19.698 -14.060 1.00 0.00 C ATOM 828 C TYR A 50 7.623 20.244 -13.994 1.00 0.00 C ATOM 829 O TYR A 50 6.841 19.835 -13.159 1.00 0.00 O ATOM 830 CB TYR A 50 9.208 18.757 -15.256 1.00 0.00 C ATOM 831 CG TYR A 50 10.602 18.887 -15.824 1.00 0.00 C ATOM 832 CD1 TYR A 50 11.161 20.155 -16.027 1.00 0.00 C ATOM 833 CD2 TYR A 50 11.334 17.739 -16.148 1.00 0.00 C ATOM 834 CE1 TYR A 50 12.452 20.274 -16.555 1.00 0.00 C ATOM 835 CE2 TYR A 50 12.627 17.858 -16.677 1.00 0.00 C ATOM 836 CZ TYR A 50 13.186 19.126 -16.879 1.00 0.00 C ATOM 837 OH TYR A 50 14.458 19.245 -17.401 1.00 0.00 O ATOM 0 H TYR A 50 10.117 19.142 -12.295 1.00 0.00 H new ATOM 0 HA TYR A 50 9.724 20.552 -14.128 1.00 0.00 H new ATOM 0 HB2 TYR A 50 9.024 17.728 -14.948 1.00 0.00 H new ATOM 0 HB3 TYR A 50 8.469 18.998 -16.020 1.00 0.00 H new ATOM 0 HD1 TYR A 50 10.596 21.041 -15.776 1.00 0.00 H new ATOM 0 HD2 TYR A 50 10.903 16.761 -15.991 1.00 0.00 H new ATOM 0 HE1 TYR A 50 12.882 21.252 -16.713 1.00 0.00 H new ATOM 0 HE2 TYR A 50 13.192 16.972 -16.929 1.00 0.00 H new ATOM 0 HH TYR A 50 14.828 18.353 -17.569 1.00 0.00 H new ATOM 847 N PRO A 51 7.328 21.151 -14.882 1.00 0.00 N ATOM 848 CA PRO A 51 5.975 21.759 -14.929 1.00 0.00 C ATOM 849 C PRO A 51 4.933 20.711 -15.329 1.00 0.00 C ATOM 850 O PRO A 51 5.142 19.925 -16.232 1.00 0.00 O ATOM 851 CB PRO A 51 6.110 22.852 -15.988 1.00 0.00 C ATOM 852 CG PRO A 51 7.257 22.413 -16.839 1.00 0.00 C ATOM 853 CD PRO A 51 8.208 21.687 -15.924 1.00 0.00 C ATOM 0 HA PRO A 51 5.643 22.153 -13.969 1.00 0.00 H new ATOM 0 HB2 PRO A 51 5.196 22.951 -16.574 1.00 0.00 H new ATOM 0 HB3 PRO A 51 6.303 23.823 -15.533 1.00 0.00 H new ATOM 0 HG2 PRO A 51 6.917 21.761 -17.643 1.00 0.00 H new ATOM 0 HG3 PRO A 51 7.744 23.269 -17.307 1.00 0.00 H new ATOM 0 HD2 PRO A 51 8.743 20.894 -16.447 1.00 0.00 H new ATOM 0 HD3 PRO A 51 8.960 22.359 -15.510 1.00 0.00 H new ATOM 861 N ILE A 52 3.815 20.691 -14.658 1.00 0.00 N ATOM 862 CA ILE A 52 2.760 19.692 -14.991 1.00 0.00 C ATOM 863 C ILE A 52 1.385 20.364 -14.996 1.00 0.00 C ATOM 864 O ILE A 52 0.589 20.177 -14.098 1.00 0.00 O ATOM 865 CB ILE A 52 2.846 18.649 -13.878 1.00 0.00 C ATOM 866 CG1 ILE A 52 4.259 18.067 -13.831 1.00 0.00 C ATOM 867 CG2 ILE A 52 1.845 17.526 -14.150 1.00 0.00 C ATOM 868 CD1 ILE A 52 4.537 17.296 -15.123 1.00 0.00 C ATOM 0 H ILE A 52 3.586 21.324 -13.892 1.00 0.00 H new ATOM 0 HA ILE A 52 2.900 19.249 -15.977 1.00 0.00 H new ATOM 0 HB ILE A 52 2.614 19.121 -12.923 1.00 0.00 H new ATOM 0 HG12 ILE A 52 4.989 18.867 -13.708 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.363 17.406 -12.971 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.907 16.783 -13.355 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.836 17.938 -14.183 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.077 17.056 -15.106 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.544 16.881 -15.090 1.00 0.00 H new ATOM 0 HD12 ILE A 52 3.814 16.487 -15.226 1.00 0.00 H new ATOM 0 HD13 ILE A 52 4.451 17.970 -15.975 1.00 0.00 H new ATOM 880 N ALA A 53 1.103 21.151 -15.999 1.00 0.00 N ATOM 881 CA ALA A 53 -0.219 21.839 -16.056 1.00 0.00 C ATOM 882 C ALA A 53 -0.486 22.566 -14.736 1.00 0.00 C ATOM 883 O ALA A 53 -1.519 22.396 -14.120 1.00 0.00 O ATOM 884 CB ALA A 53 -1.241 20.723 -16.270 1.00 0.00 C ATOM 0 H ALA A 53 1.729 21.347 -16.780 1.00 0.00 H new ATOM 0 HA ALA A 53 -0.264 22.586 -16.849 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -2.242 21.151 -16.323 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.020 20.201 -17.201 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.191 20.019 -15.439 1.00 0.00 H new ATOM 890 N LYS A 54 0.441 23.373 -14.296 1.00 0.00 N ATOM 891 CA LYS A 54 0.243 24.107 -13.015 1.00 0.00 C ATOM 892 C LYS A 54 -0.329 23.163 -11.955 1.00 0.00 C ATOM 893 O LYS A 54 -1.451 23.313 -11.514 1.00 0.00 O ATOM 894 CB LYS A 54 -0.753 25.220 -13.343 1.00 0.00 C ATOM 895 CG LYS A 54 -0.084 26.580 -13.134 1.00 0.00 C ATOM 896 CD LYS A 54 -0.796 27.333 -12.009 1.00 0.00 C ATOM 897 CE LYS A 54 -0.718 28.839 -12.275 1.00 0.00 C ATOM 898 NZ LYS A 54 -1.980 29.170 -12.994 1.00 0.00 N ATOM 0 H LYS A 54 1.326 23.555 -14.769 1.00 0.00 H new ATOM 0 HA LYS A 54 1.176 24.506 -12.616 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.094 25.125 -14.374 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.634 25.134 -12.706 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.969 26.445 -12.886 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.122 27.161 -14.055 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.837 27.017 -11.947 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -0.334 27.098 -11.050 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -0.635 29.400 -11.344 1.00 0.00 H new ATOM 0 HE3 LYS A 54 0.156 29.089 -12.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -1.999 30.187 -13.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -2.028 28.626 -13.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.795 28.928 -12.395 1.00 0.00 H new ATOM 912 N ASP A 55 0.436 22.187 -11.546 1.00 0.00 N ATOM 913 CA ASP A 55 -0.061 21.230 -10.517 1.00 0.00 C ATOM 914 C ASP A 55 0.745 21.378 -9.223 1.00 0.00 C ATOM 915 O ASP A 55 1.959 21.397 -9.249 1.00 0.00 O ATOM 916 CB ASP A 55 0.160 19.845 -11.129 1.00 0.00 C ATOM 917 CG ASP A 55 -1.063 19.453 -11.960 1.00 0.00 C ATOM 918 OD1 ASP A 55 -1.647 20.334 -12.568 1.00 0.00 O ATOM 919 OD2 ASP A 55 -1.392 18.278 -11.976 1.00 0.00 O ATOM 0 H ASP A 55 1.384 22.011 -11.880 1.00 0.00 H new ATOM 0 HA ASP A 55 -1.106 21.403 -10.261 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.052 19.851 -11.756 1.00 0.00 H new ATOM 0 HB3 ASP A 55 0.328 19.110 -10.341 1.00 0.00 H new ATOM 924 N PRO A 56 0.037 21.474 -8.130 1.00 0.00 N ATOM 925 CA PRO A 56 0.694 21.618 -6.808 1.00 0.00 C ATOM 926 C PRO A 56 1.330 20.290 -6.389 1.00 0.00 C ATOM 927 O PRO A 56 1.544 19.413 -7.201 1.00 0.00 O ATOM 928 CB PRO A 56 -0.455 21.991 -5.875 1.00 0.00 C ATOM 929 CG PRO A 56 -1.682 21.447 -6.536 1.00 0.00 C ATOM 930 CD PRO A 56 -1.427 21.458 -8.020 1.00 0.00 C ATOM 0 HA PRO A 56 1.495 22.357 -6.802 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -0.315 21.558 -4.884 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -0.523 23.071 -5.744 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -1.890 20.435 -6.188 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -2.553 22.054 -6.290 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -1.854 20.580 -8.505 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -1.872 22.332 -8.495 1.00 0.00 H new ATOM 938 N GLN A 57 1.629 20.131 -5.130 1.00 0.00 N ATOM 939 CA GLN A 57 2.245 18.854 -4.673 1.00 0.00 C ATOM 940 C GLN A 57 1.196 17.740 -4.664 1.00 0.00 C ATOM 941 O GLN A 57 0.012 17.989 -4.768 1.00 0.00 O ATOM 942 CB GLN A 57 2.746 19.133 -3.255 1.00 0.00 C ATOM 943 CG GLN A 57 3.720 20.312 -3.281 1.00 0.00 C ATOM 944 CD GLN A 57 3.355 21.300 -2.172 1.00 0.00 C ATOM 945 OE1 GLN A 57 3.368 22.498 -2.380 1.00 0.00 O ATOM 946 NE2 GLN A 57 3.028 20.848 -0.992 1.00 0.00 N ATOM 0 H GLN A 57 1.474 20.827 -4.400 1.00 0.00 H new ATOM 0 HA GLN A 57 3.053 18.528 -5.328 1.00 0.00 H new ATOM 0 HB2 GLN A 57 1.905 19.356 -2.598 1.00 0.00 H new ATOM 0 HB3 GLN A 57 3.239 18.249 -2.852 1.00 0.00 H new ATOM 0 HG2 GLN A 57 4.741 19.957 -3.144 1.00 0.00 H new ATOM 0 HG3 GLN A 57 3.682 20.808 -4.251 1.00 0.00 H new ATOM 0 HE21 GLN A 57 3.017 19.843 -0.816 1.00 0.00 H new ATOM 0 HE22 GLN A 57 2.784 21.499 -0.246 1.00 0.00 H new ATOM 955 N GLY A 58 1.623 16.514 -4.545 1.00 0.00 N ATOM 956 CA GLY A 58 0.650 15.384 -4.534 1.00 0.00 C ATOM 957 C GLY A 58 0.796 14.599 -3.230 1.00 0.00 C ATOM 958 O GLY A 58 1.874 14.479 -2.684 1.00 0.00 O ATOM 0 H GLY A 58 2.603 16.245 -4.455 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.367 15.765 -4.630 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.827 14.729 -5.387 1.00 0.00 H new ATOM 962 N TYR A 59 -0.283 14.065 -2.725 1.00 0.00 N ATOM 963 CA TYR A 59 -0.204 13.292 -1.454 1.00 0.00 C ATOM 964 C TYR A 59 -0.722 11.867 -1.665 1.00 0.00 C ATOM 965 O TYR A 59 -1.889 11.653 -1.930 1.00 0.00 O ATOM 966 CB TYR A 59 -1.109 14.045 -0.481 1.00 0.00 C ATOM 967 CG TYR A 59 -0.421 15.307 -0.018 1.00 0.00 C ATOM 968 CD1 TYR A 59 0.614 15.236 0.921 1.00 0.00 C ATOM 969 CD2 TYR A 59 -0.822 16.548 -0.527 1.00 0.00 C ATOM 970 CE1 TYR A 59 1.249 16.407 1.352 1.00 0.00 C ATOM 971 CE2 TYR A 59 -0.187 17.719 -0.095 1.00 0.00 C ATOM 972 CZ TYR A 59 0.848 17.649 0.844 1.00 0.00 C ATOM 973 OH TYR A 59 1.473 18.803 1.271 1.00 0.00 O ATOM 0 H TYR A 59 -1.214 14.131 -3.137 1.00 0.00 H new ATOM 0 HA TYR A 59 0.819 13.208 -1.086 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -2.054 14.291 -0.965 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -1.344 13.413 0.375 1.00 0.00 H new ATOM 0 HD1 TYR A 59 0.923 14.278 1.313 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -1.620 16.602 -1.252 1.00 0.00 H new ATOM 0 HE1 TYR A 59 2.048 16.353 2.076 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -0.496 18.677 -0.487 1.00 0.00 H new ATOM 0 HH TYR A 59 1.075 19.577 0.820 1.00 0.00 H new ATOM 983 N PHE A 60 0.133 10.890 -1.539 1.00 0.00 N ATOM 984 CA PHE A 60 -0.313 9.479 -1.722 1.00 0.00 C ATOM 985 C PHE A 60 -0.185 8.721 -0.398 1.00 0.00 C ATOM 986 O PHE A 60 0.881 8.645 0.181 1.00 0.00 O ATOM 987 CB PHE A 60 0.631 8.895 -2.774 1.00 0.00 C ATOM 988 CG PHE A 60 0.084 9.170 -4.154 1.00 0.00 C ATOM 989 CD1 PHE A 60 0.085 10.475 -4.662 1.00 0.00 C ATOM 990 CD2 PHE A 60 -0.422 8.118 -4.929 1.00 0.00 C ATOM 991 CE1 PHE A 60 -0.421 10.729 -5.943 1.00 0.00 C ATOM 992 CE2 PHE A 60 -0.927 8.372 -6.209 1.00 0.00 C ATOM 993 CZ PHE A 60 -0.927 9.677 -6.717 1.00 0.00 C ATOM 0 H PHE A 60 1.122 11.007 -1.317 1.00 0.00 H new ATOM 0 HA PHE A 60 -1.355 9.407 -2.034 1.00 0.00 H new ATOM 0 HB2 PHE A 60 1.623 9.334 -2.671 1.00 0.00 H new ATOM 0 HB3 PHE A 60 0.741 7.821 -2.623 1.00 0.00 H new ATOM 0 HD1 PHE A 60 0.476 11.286 -4.066 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -0.422 7.111 -4.538 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -0.421 11.736 -6.334 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -1.317 7.561 -6.806 1.00 0.00 H new ATOM 0 HZ PHE A 60 -1.317 9.872 -7.705 1.00 0.00 H new ATOM 1003 N LEU A 61 -1.261 8.169 0.093 1.00 0.00 N ATOM 1004 CA LEU A 61 -1.190 7.429 1.389 1.00 0.00 C ATOM 1005 C LEU A 61 -1.517 5.950 1.174 1.00 0.00 C ATOM 1006 O LEU A 61 -2.319 5.595 0.334 1.00 0.00 O ATOM 1007 CB LEU A 61 -2.239 8.070 2.309 1.00 0.00 C ATOM 1008 CG LEU A 61 -2.438 9.550 1.957 1.00 0.00 C ATOM 1009 CD1 LEU A 61 -3.604 10.114 2.770 1.00 0.00 C ATOM 1010 CD2 LEU A 61 -1.162 10.329 2.284 1.00 0.00 C ATOM 0 H LEU A 61 -2.183 8.197 -0.343 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.191 7.486 1.821 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.186 7.538 2.215 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.923 7.978 3.348 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.657 9.645 0.894 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.746 11.166 2.521 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.513 9.559 2.536 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.385 10.020 3.834 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.303 11.380 2.034 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.941 10.235 3.347 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.331 9.927 1.704 1.00 0.00 H new ATOM 1022 N TRP A 62 -0.902 5.088 1.934 1.00 0.00 N ATOM 1023 CA TRP A 62 -1.172 3.631 1.786 1.00 0.00 C ATOM 1024 C TRP A 62 -1.546 3.031 3.144 1.00 0.00 C ATOM 1025 O TRP A 62 -1.028 3.426 4.170 1.00 0.00 O ATOM 1026 CB TRP A 62 0.145 3.039 1.274 1.00 0.00 C ATOM 1027 CG TRP A 62 0.181 1.568 1.542 1.00 0.00 C ATOM 1028 CD1 TRP A 62 -0.807 0.697 1.231 1.00 0.00 C ATOM 1029 CD2 TRP A 62 1.234 0.784 2.173 1.00 0.00 C ATOM 1030 NE1 TRP A 62 -0.425 -0.573 1.626 1.00 0.00 N ATOM 1031 CE2 TRP A 62 0.825 -0.571 2.212 1.00 0.00 C ATOM 1032 CE3 TRP A 62 2.493 1.112 2.709 1.00 0.00 C ATOM 1033 CZ2 TRP A 62 1.637 -1.564 2.762 1.00 0.00 C ATOM 1034 CZ3 TRP A 62 3.311 0.116 3.264 1.00 0.00 C ATOM 1035 CH2 TRP A 62 2.884 -1.219 3.290 1.00 0.00 C ATOM 0 H TRP A 62 -0.221 5.331 2.654 1.00 0.00 H new ATOM 0 HA TRP A 62 -2.000 3.423 1.108 1.00 0.00 H new ATOM 0 HB2 TRP A 62 0.246 3.225 0.205 1.00 0.00 H new ATOM 0 HB3 TRP A 62 0.988 3.527 1.763 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -1.741 0.952 0.753 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -0.997 -1.408 1.500 1.00 0.00 H new ATOM 0 HE3 TRP A 62 2.832 2.137 2.693 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 1.304 -2.591 2.779 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 4.275 0.379 3.673 1.00 0.00 H new ATOM 0 HH2 TRP A 62 3.519 -1.981 3.718 1.00 0.00 H new ATOM 1046 N TYR A 63 -2.436 2.077 3.161 1.00 0.00 N ATOM 1047 CA TYR A 63 -2.830 1.456 4.453 1.00 0.00 C ATOM 1048 C TYR A 63 -2.896 -0.061 4.295 1.00 0.00 C ATOM 1049 O TYR A 63 -3.317 -0.571 3.276 1.00 0.00 O ATOM 1050 CB TYR A 63 -4.212 2.030 4.762 1.00 0.00 C ATOM 1051 CG TYR A 63 -4.056 3.323 5.528 1.00 0.00 C ATOM 1052 CD1 TYR A 63 -3.703 4.497 4.853 1.00 0.00 C ATOM 1053 CD2 TYR A 63 -4.260 3.345 6.913 1.00 0.00 C ATOM 1054 CE1 TYR A 63 -3.555 5.694 5.563 1.00 0.00 C ATOM 1055 CE2 TYR A 63 -4.111 4.542 7.623 1.00 0.00 C ATOM 1056 CZ TYR A 63 -3.759 5.717 6.947 1.00 0.00 C ATOM 1057 OH TYR A 63 -3.611 6.897 7.648 1.00 0.00 O ATOM 0 H TYR A 63 -2.906 1.702 2.337 1.00 0.00 H new ATOM 0 HA TYR A 63 -2.120 1.664 5.254 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -4.760 2.206 3.837 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -4.793 1.316 5.346 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -3.545 4.479 3.785 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -4.532 2.439 7.433 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -3.283 6.600 5.042 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -4.267 4.560 8.691 1.00 0.00 H new ATOM 0 HH TYR A 63 -3.790 6.738 8.598 1.00 0.00 H new ATOM 1067 N GLN A 64 -2.483 -0.789 5.292 1.00 0.00 N ATOM 1068 CA GLN A 64 -2.525 -2.272 5.188 1.00 0.00 C ATOM 1069 C GLN A 64 -3.838 -2.789 5.772 1.00 0.00 C ATOM 1070 O GLN A 64 -4.228 -2.428 6.865 1.00 0.00 O ATOM 1071 CB GLN A 64 -1.337 -2.762 6.015 1.00 0.00 C ATOM 1072 CG GLN A 64 -0.079 -2.784 5.144 1.00 0.00 C ATOM 1073 CD GLN A 64 0.407 -4.227 4.988 1.00 0.00 C ATOM 1074 OE1 GLN A 64 -0.279 -5.156 5.367 1.00 0.00 O ATOM 1075 NE2 GLN A 64 1.570 -4.455 4.441 1.00 0.00 N ATOM 0 H GLN A 64 -2.119 -0.423 6.172 1.00 0.00 H new ATOM 0 HA GLN A 64 -2.469 -2.623 4.157 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -1.185 -2.109 6.874 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -1.539 -3.760 6.405 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -0.293 -2.353 4.166 1.00 0.00 H new ATOM 0 HG3 GLN A 64 0.701 -2.173 5.598 1.00 0.00 H new ATOM 0 HE21 GLN A 64 2.146 -3.675 4.123 1.00 0.00 H new ATOM 0 HE22 GLN A 64 1.903 -5.413 4.332 1.00 0.00 H new ATOM 1084 N VAL A 65 -4.532 -3.616 5.046 1.00 0.00 N ATOM 1085 CA VAL A 65 -5.829 -4.139 5.548 1.00 0.00 C ATOM 1086 C VAL A 65 -5.814 -5.669 5.590 1.00 0.00 C ATOM 1087 O VAL A 65 -4.925 -6.306 5.063 1.00 0.00 O ATOM 1088 CB VAL A 65 -6.846 -3.635 4.529 1.00 0.00 C ATOM 1089 CG1 VAL A 65 -6.838 -2.108 4.523 1.00 0.00 C ATOM 1090 CG2 VAL A 65 -6.462 -4.135 3.138 1.00 0.00 C ATOM 0 H VAL A 65 -4.256 -3.953 4.124 1.00 0.00 H new ATOM 0 HA VAL A 65 -6.053 -3.810 6.563 1.00 0.00 H new ATOM 0 HB VAL A 65 -7.837 -4.002 4.794 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -7.564 -1.743 3.796 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -7.101 -1.739 5.514 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.844 -1.750 4.254 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -7.188 -3.775 2.409 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -5.471 -3.762 2.878 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.452 -5.225 3.133 1.00 0.00 H new ATOM 1100 N GLU A 66 -6.794 -6.263 6.215 1.00 0.00 N ATOM 1101 CA GLU A 66 -6.837 -7.753 6.289 1.00 0.00 C ATOM 1102 C GLU A 66 -8.170 -8.265 5.743 1.00 0.00 C ATOM 1103 O GLU A 66 -8.810 -9.120 6.323 1.00 0.00 O ATOM 1104 CB GLU A 66 -6.699 -8.083 7.773 1.00 0.00 C ATOM 1105 CG GLU A 66 -7.654 -7.198 8.574 1.00 0.00 C ATOM 1106 CD GLU A 66 -8.300 -8.022 9.689 1.00 0.00 C ATOM 1107 OE1 GLU A 66 -7.578 -8.740 10.363 1.00 0.00 O ATOM 1108 OE2 GLU A 66 -9.504 -7.922 9.851 1.00 0.00 O ATOM 0 H GLU A 66 -7.566 -5.783 6.677 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.050 -8.221 5.698 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.926 -9.135 7.947 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.672 -7.920 8.100 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -7.113 -6.353 8.999 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.422 -6.788 7.919 1.00 0.00 H new ATOM 1115 N MET A 67 -8.584 -7.745 4.628 1.00 0.00 N ATOM 1116 CA MET A 67 -9.871 -8.186 4.018 1.00 0.00 C ATOM 1117 C MET A 67 -9.597 -9.004 2.754 1.00 0.00 C ATOM 1118 O MET A 67 -8.543 -8.893 2.161 1.00 0.00 O ATOM 1119 CB MET A 67 -10.618 -6.896 3.677 1.00 0.00 C ATOM 1120 CG MET A 67 -11.869 -6.790 4.551 1.00 0.00 C ATOM 1121 SD MET A 67 -11.734 -5.339 5.624 1.00 0.00 S ATOM 1122 CE MET A 67 -12.921 -5.879 6.878 1.00 0.00 C ATOM 0 H MET A 67 -8.084 -7.026 4.105 1.00 0.00 H new ATOM 0 HA MET A 67 -10.451 -8.820 4.689 1.00 0.00 H new ATOM 0 HB2 MET A 67 -9.972 -6.034 3.841 1.00 0.00 H new ATOM 0 HB3 MET A 67 -10.895 -6.891 2.623 1.00 0.00 H new ATOM 0 HG2 MET A 67 -12.758 -6.711 3.925 1.00 0.00 H new ATOM 0 HG3 MET A 67 -11.982 -7.692 5.153 1.00 0.00 H new ATOM 0 HE1 MET A 67 -13.348 -5.007 7.374 1.00 0.00 H new ATOM 0 HE2 MET A 67 -13.717 -6.452 6.403 1.00 0.00 H new ATOM 0 HE3 MET A 67 -12.414 -6.503 7.614 1.00 0.00 H new ATOM 1132 N PRO A 68 -10.559 -9.807 2.384 1.00 0.00 N ATOM 1133 CA PRO A 68 -10.417 -10.664 1.179 1.00 0.00 C ATOM 1134 C PRO A 68 -10.320 -9.805 -0.086 1.00 0.00 C ATOM 1135 O PRO A 68 -10.437 -8.596 -0.041 1.00 0.00 O ATOM 1136 CB PRO A 68 -11.688 -11.514 1.193 1.00 0.00 C ATOM 1137 CG PRO A 68 -12.667 -10.716 1.990 1.00 0.00 C ATOM 1138 CD PRO A 68 -11.862 -9.988 3.034 1.00 0.00 C ATOM 0 HA PRO A 68 -9.513 -11.273 1.185 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -12.054 -11.696 0.183 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -11.508 -12.488 1.647 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -13.206 -10.014 1.354 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -13.412 -11.363 2.453 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -12.316 -9.033 3.300 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -11.777 -10.567 3.953 1.00 0.00 H new ATOM 1146 N GLU A 69 -10.082 -10.423 -1.210 1.00 0.00 N ATOM 1147 CA GLU A 69 -9.949 -9.654 -2.481 1.00 0.00 C ATOM 1148 C GLU A 69 -11.282 -9.029 -2.902 1.00 0.00 C ATOM 1149 O GLU A 69 -11.322 -8.140 -3.726 1.00 0.00 O ATOM 1150 CB GLU A 69 -9.501 -10.686 -3.514 1.00 0.00 C ATOM 1151 CG GLU A 69 -10.678 -11.596 -3.869 1.00 0.00 C ATOM 1152 CD GLU A 69 -10.175 -12.787 -4.687 1.00 0.00 C ATOM 1153 OE1 GLU A 69 -9.015 -12.776 -5.061 1.00 0.00 O ATOM 1154 OE2 GLU A 69 -10.959 -13.692 -4.924 1.00 0.00 O ATOM 0 H GLU A 69 -9.973 -11.433 -1.304 1.00 0.00 H new ATOM 0 HA GLU A 69 -9.246 -8.828 -2.376 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.133 -10.184 -4.409 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.676 -11.278 -3.118 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -11.167 -11.946 -2.960 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -11.423 -11.039 -4.438 1.00 0.00 H new ATOM 1161 N ASP A 70 -12.375 -9.494 -2.365 1.00 0.00 N ATOM 1162 CA ASP A 70 -13.693 -8.919 -2.772 1.00 0.00 C ATOM 1163 C ASP A 70 -14.039 -7.683 -1.936 1.00 0.00 C ATOM 1164 O ASP A 70 -14.589 -6.723 -2.439 1.00 0.00 O ATOM 1165 CB ASP A 70 -14.707 -10.035 -2.519 1.00 0.00 C ATOM 1166 CG ASP A 70 -15.772 -10.016 -3.617 1.00 0.00 C ATOM 1167 OD1 ASP A 70 -16.632 -9.153 -3.564 1.00 0.00 O ATOM 1168 OD2 ASP A 70 -15.708 -10.864 -4.491 1.00 0.00 O ATOM 0 H ASP A 70 -12.417 -10.239 -1.669 1.00 0.00 H new ATOM 0 HA ASP A 70 -13.685 -8.594 -3.812 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -14.203 -11.002 -2.503 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -15.174 -9.902 -1.543 1.00 0.00 H new ATOM 1173 N ARG A 71 -13.728 -7.692 -0.672 1.00 0.00 N ATOM 1174 CA ARG A 71 -14.048 -6.519 0.177 1.00 0.00 C ATOM 1175 C ARG A 71 -13.152 -5.335 -0.190 1.00 0.00 C ATOM 1176 O ARG A 71 -13.351 -4.229 0.272 1.00 0.00 O ATOM 1177 CB ARG A 71 -13.770 -6.979 1.610 1.00 0.00 C ATOM 1178 CG ARG A 71 -15.095 -7.249 2.325 1.00 0.00 C ATOM 1179 CD ARG A 71 -15.203 -8.740 2.650 1.00 0.00 C ATOM 1180 NE ARG A 71 -16.616 -8.940 3.076 1.00 0.00 N ATOM 1181 CZ ARG A 71 -16.878 -9.491 4.229 1.00 0.00 C ATOM 1182 NH1 ARG A 71 -16.040 -10.342 4.753 1.00 0.00 N ATOM 1183 NH2 ARG A 71 -17.981 -9.190 4.859 1.00 0.00 N ATOM 0 H ARG A 71 -13.265 -8.463 -0.191 1.00 0.00 H new ATOM 0 HA ARG A 71 -15.078 -6.186 0.047 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -13.159 -7.881 1.601 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -13.205 -6.216 2.145 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -15.153 -6.661 3.241 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -15.930 -6.941 1.695 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -14.962 -9.352 1.781 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -14.508 -9.023 3.441 1.00 0.00 H new ATOM 0 HE ARG A 71 -17.379 -8.646 2.466 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -15.178 -10.578 4.261 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -16.247 -10.772 5.655 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -18.637 -8.525 4.450 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -18.187 -9.620 5.761 1.00 0.00 H new ATOM 1197 N VAL A 72 -12.163 -5.556 -1.013 1.00 0.00 N ATOM 1198 CA VAL A 72 -11.257 -4.437 -1.397 1.00 0.00 C ATOM 1199 C VAL A 72 -11.993 -3.422 -2.274 1.00 0.00 C ATOM 1200 O VAL A 72 -11.901 -2.228 -2.068 1.00 0.00 O ATOM 1201 CB VAL A 72 -10.109 -5.099 -2.162 1.00 0.00 C ATOM 1202 CG1 VAL A 72 -10.552 -5.439 -3.586 1.00 0.00 C ATOM 1203 CG2 VAL A 72 -8.926 -4.138 -2.217 1.00 0.00 C ATOM 0 H VAL A 72 -11.944 -6.459 -1.434 1.00 0.00 H new ATOM 0 HA VAL A 72 -10.897 -3.884 -0.530 1.00 0.00 H new ATOM 0 HB VAL A 72 -9.820 -6.018 -1.651 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -9.727 -5.910 -4.121 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -11.399 -6.124 -3.550 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -10.846 -4.526 -4.103 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -8.104 -4.604 -2.761 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -9.225 -3.222 -2.726 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -8.602 -3.901 -1.204 1.00 0.00 H new ATOM 1213 N ASN A 73 -12.728 -3.885 -3.245 1.00 0.00 N ATOM 1214 CA ASN A 73 -13.474 -2.944 -4.128 1.00 0.00 C ATOM 1215 C ASN A 73 -14.494 -2.160 -3.301 1.00 0.00 C ATOM 1216 O ASN A 73 -14.715 -0.987 -3.517 1.00 0.00 O ATOM 1217 CB ASN A 73 -14.184 -3.837 -5.146 1.00 0.00 C ATOM 1218 CG ASN A 73 -14.882 -2.966 -6.193 1.00 0.00 C ATOM 1219 OD1 ASN A 73 -14.630 -1.780 -6.280 1.00 0.00 O ATOM 1220 ND2 ASN A 73 -15.758 -3.507 -6.997 1.00 0.00 N ATOM 0 H ASN A 73 -12.845 -4.874 -3.466 1.00 0.00 H new ATOM 0 HA ASN A 73 -12.821 -2.217 -4.611 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -13.465 -4.498 -5.629 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -14.913 -4.472 -4.642 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -16.230 -2.934 -7.697 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -15.970 -4.502 -6.925 1.00 0.00 H new ATOM 1227 N ASP A 74 -15.117 -2.810 -2.357 1.00 0.00 N ATOM 1228 CA ASP A 74 -16.125 -2.125 -1.508 1.00 0.00 C ATOM 1229 C ASP A 74 -15.478 -0.991 -0.709 1.00 0.00 C ATOM 1230 O ASP A 74 -15.961 0.124 -0.688 1.00 0.00 O ATOM 1231 CB ASP A 74 -16.632 -3.214 -0.562 1.00 0.00 C ATOM 1232 CG ASP A 74 -17.758 -2.654 0.310 1.00 0.00 C ATOM 1233 OD1 ASP A 74 -17.480 -1.777 1.110 1.00 0.00 O ATOM 1234 OD2 ASP A 74 -18.879 -3.113 0.162 1.00 0.00 O ATOM 0 H ASP A 74 -14.968 -3.795 -2.138 1.00 0.00 H new ATOM 0 HA ASP A 74 -16.924 -1.676 -2.098 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -16.993 -4.068 -1.135 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -15.816 -3.573 0.066 1.00 0.00 H new ATOM 1239 N LEU A 75 -14.398 -1.276 -0.041 1.00 0.00 N ATOM 1240 CA LEU A 75 -13.719 -0.243 0.770 1.00 0.00 C ATOM 1241 C LEU A 75 -13.195 0.900 -0.107 1.00 0.00 C ATOM 1242 O LEU A 75 -13.295 2.060 0.244 1.00 0.00 O ATOM 1243 CB LEU A 75 -12.560 -0.997 1.426 1.00 0.00 C ATOM 1244 CG LEU A 75 -12.499 -0.627 2.902 1.00 0.00 C ATOM 1245 CD1 LEU A 75 -12.616 0.884 3.013 1.00 0.00 C ATOM 1246 CD2 LEU A 75 -13.663 -1.287 3.644 1.00 0.00 C ATOM 0 H LEU A 75 -13.954 -2.194 -0.025 1.00 0.00 H new ATOM 0 HA LEU A 75 -14.388 0.223 1.493 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -12.699 -2.072 1.313 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -11.620 -0.743 0.935 1.00 0.00 H new ATOM 0 HG LEU A 75 -11.562 -0.969 3.341 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -12.575 1.176 4.062 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -11.793 1.353 2.473 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -13.564 1.208 2.583 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -13.618 -1.022 4.700 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -14.607 -0.941 3.222 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -13.594 -2.370 3.539 1.00 0.00 H new ATOM 1258 N ALA A 76 -12.647 0.583 -1.240 1.00 0.00 N ATOM 1259 CA ALA A 76 -12.123 1.648 -2.143 1.00 0.00 C ATOM 1260 C ALA A 76 -13.290 2.493 -2.630 1.00 0.00 C ATOM 1261 O ALA A 76 -13.213 3.701 -2.742 1.00 0.00 O ATOM 1262 CB ALA A 76 -11.468 0.901 -3.305 1.00 0.00 C ATOM 0 H ALA A 76 -12.537 -0.370 -1.585 1.00 0.00 H new ATOM 0 HA ALA A 76 -11.412 2.314 -1.654 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -11.058 1.620 -4.014 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -10.666 0.268 -2.925 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -12.213 0.282 -3.806 1.00 0.00 H new ATOM 1268 N ARG A 77 -14.369 1.837 -2.918 1.00 0.00 N ATOM 1269 CA ARG A 77 -15.586 2.531 -3.403 1.00 0.00 C ATOM 1270 C ARG A 77 -16.039 3.595 -2.401 1.00 0.00 C ATOM 1271 O ARG A 77 -16.554 4.631 -2.771 1.00 0.00 O ATOM 1272 CB ARG A 77 -16.610 1.406 -3.492 1.00 0.00 C ATOM 1273 CG ARG A 77 -17.079 1.250 -4.941 1.00 0.00 C ATOM 1274 CD ARG A 77 -18.575 0.921 -4.964 1.00 0.00 C ATOM 1275 NE ARG A 77 -19.092 1.564 -6.205 1.00 0.00 N ATOM 1276 CZ ARG A 77 -19.962 0.939 -6.953 1.00 0.00 C ATOM 1277 NH1 ARG A 77 -21.167 0.709 -6.504 1.00 0.00 N ATOM 1278 NH2 ARG A 77 -19.628 0.546 -8.152 1.00 0.00 N ATOM 0 H ARG A 77 -14.462 0.825 -2.836 1.00 0.00 H new ATOM 0 HA ARG A 77 -15.435 3.054 -4.348 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -16.171 0.473 -3.139 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -17.460 1.623 -2.846 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -16.890 2.169 -5.496 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -16.515 0.458 -5.433 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -18.742 -0.156 -4.978 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -19.078 1.310 -4.079 1.00 0.00 H new ATOM 0 HE ARG A 77 -18.766 2.493 -6.471 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -21.430 1.018 -5.568 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -21.845 0.221 -7.089 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -18.688 0.727 -8.505 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -20.307 0.058 -8.736 1.00 0.00 H new ATOM 1292 N GLU A 78 -15.855 3.347 -1.133 1.00 0.00 N ATOM 1293 CA GLU A 78 -16.280 4.347 -0.111 1.00 0.00 C ATOM 1294 C GLU A 78 -15.411 5.603 -0.207 1.00 0.00 C ATOM 1295 O GLU A 78 -15.901 6.713 -0.158 1.00 0.00 O ATOM 1296 CB GLU A 78 -16.070 3.657 1.237 1.00 0.00 C ATOM 1297 CG GLU A 78 -16.597 2.223 1.170 1.00 0.00 C ATOM 1298 CD GLU A 78 -17.698 2.034 2.214 1.00 0.00 C ATOM 1299 OE1 GLU A 78 -17.443 2.315 3.373 1.00 0.00 O ATOM 1300 OE2 GLU A 78 -18.779 1.614 1.836 1.00 0.00 O ATOM 0 H GLU A 78 -15.430 2.498 -0.761 1.00 0.00 H new ATOM 0 HA GLU A 78 -17.314 4.661 -0.251 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -15.011 3.654 1.494 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -16.587 4.208 2.023 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -16.986 2.014 0.174 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -15.786 1.518 1.350 1.00 0.00 H new ATOM 1307 N LEU A 79 -14.125 5.435 -0.339 1.00 0.00 N ATOM 1308 CA LEU A 79 -13.225 6.621 -0.433 1.00 0.00 C ATOM 1309 C LEU A 79 -13.642 7.516 -1.605 1.00 0.00 C ATOM 1310 O LEU A 79 -13.644 8.727 -1.501 1.00 0.00 O ATOM 1311 CB LEU A 79 -11.831 6.042 -0.666 1.00 0.00 C ATOM 1312 CG LEU A 79 -11.146 5.804 0.682 1.00 0.00 C ATOM 1313 CD1 LEU A 79 -12.046 4.939 1.565 1.00 0.00 C ATOM 1314 CD2 LEU A 79 -9.813 5.089 0.458 1.00 0.00 C ATOM 0 H LEU A 79 -13.657 4.530 -0.386 1.00 0.00 H new ATOM 0 HA LEU A 79 -13.264 7.240 0.463 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -11.902 5.106 -1.220 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -11.238 6.727 -1.272 1.00 0.00 H new ATOM 0 HG LEU A 79 -10.967 6.761 1.172 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -11.559 4.769 2.525 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -12.996 5.448 1.725 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -12.225 3.982 1.075 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -9.325 4.920 1.418 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -9.991 4.132 -0.032 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -9.171 5.705 -0.171 1.00 0.00 H new ATOM 1326 N ARG A 80 -13.992 6.933 -2.719 1.00 0.00 N ATOM 1327 CA ARG A 80 -14.404 7.756 -3.894 1.00 0.00 C ATOM 1328 C ARG A 80 -15.661 8.565 -3.564 1.00 0.00 C ATOM 1329 O ARG A 80 -15.927 9.588 -4.163 1.00 0.00 O ATOM 1330 CB ARG A 80 -14.695 6.747 -5.006 1.00 0.00 C ATOM 1331 CG ARG A 80 -15.326 7.471 -6.198 1.00 0.00 C ATOM 1332 CD ARG A 80 -14.280 8.370 -6.863 1.00 0.00 C ATOM 1333 NE ARG A 80 -15.069 9.326 -7.688 1.00 0.00 N ATOM 1334 CZ ARG A 80 -15.347 9.043 -8.931 1.00 0.00 C ATOM 1335 NH1 ARG A 80 -14.403 8.634 -9.735 1.00 0.00 N ATOM 1336 NH2 ARG A 80 -16.569 9.166 -9.370 1.00 0.00 N ATOM 0 H ARG A 80 -14.011 5.924 -2.867 1.00 0.00 H new ATOM 0 HA ARG A 80 -13.634 8.471 -4.183 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -13.774 6.252 -5.313 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -15.367 5.971 -4.641 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -15.707 6.746 -6.917 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -16.176 8.068 -5.866 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -13.678 8.892 -6.120 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -13.593 7.789 -7.479 1.00 0.00 H new ATOM 0 HE ARG A 80 -15.393 10.203 -7.281 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -13.448 8.536 -9.391 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -14.621 8.413 -10.707 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -17.307 9.483 -8.742 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -16.787 8.945 -10.342 1.00 0.00 H new ATOM 1350 N ILE A 81 -16.437 8.111 -2.621 1.00 0.00 N ATOM 1351 CA ILE A 81 -17.677 8.847 -2.257 1.00 0.00 C ATOM 1352 C ILE A 81 -17.339 10.153 -1.530 1.00 0.00 C ATOM 1353 O ILE A 81 -18.164 11.038 -1.415 1.00 0.00 O ATOM 1354 CB ILE A 81 -18.435 7.898 -1.329 1.00 0.00 C ATOM 1355 CG1 ILE A 81 -18.928 6.689 -2.128 1.00 0.00 C ATOM 1356 CG2 ILE A 81 -19.628 8.631 -0.720 1.00 0.00 C ATOM 1357 CD1 ILE A 81 -20.086 7.109 -3.034 1.00 0.00 C ATOM 0 H ILE A 81 -16.265 7.260 -2.086 1.00 0.00 H new ATOM 0 HA ILE A 81 -18.262 9.123 -3.134 1.00 0.00 H new ATOM 0 HB ILE A 81 -17.773 7.559 -0.533 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -18.114 6.280 -2.727 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -19.252 5.900 -1.450 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -20.170 7.956 -0.058 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -19.275 9.491 -0.151 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -20.292 8.970 -1.516 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -20.435 6.246 -3.602 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -20.902 7.497 -2.425 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -19.747 7.883 -3.722 1.00 0.00 H new ATOM 1369 N ARG A 82 -16.138 10.283 -1.027 1.00 0.00 N ATOM 1370 CA ARG A 82 -15.778 11.537 -0.303 1.00 0.00 C ATOM 1371 C ARG A 82 -15.635 12.702 -1.273 1.00 0.00 C ATOM 1372 O ARG A 82 -15.492 12.535 -2.467 1.00 0.00 O ATOM 1373 CB ARG A 82 -14.450 11.258 0.391 1.00 0.00 C ATOM 1374 CG ARG A 82 -14.053 12.458 1.253 1.00 0.00 C ATOM 1375 CD ARG A 82 -13.342 11.961 2.516 1.00 0.00 C ATOM 1376 NE ARG A 82 -11.889 12.093 2.218 1.00 0.00 N ATOM 1377 CZ ARG A 82 -11.312 13.263 2.278 1.00 0.00 C ATOM 1378 NH1 ARG A 82 -12.036 14.342 2.413 1.00 0.00 N ATOM 1379 NH2 ARG A 82 -10.013 13.355 2.202 1.00 0.00 N ATOM 0 H ARG A 82 -15.399 9.583 -1.086 1.00 0.00 H new ATOM 0 HA ARG A 82 -16.553 11.814 0.411 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -14.534 10.365 1.011 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -13.676 11.060 -0.351 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -13.398 13.123 0.691 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -14.937 13.035 1.523 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -13.622 12.555 3.386 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -13.607 10.927 2.737 1.00 0.00 H new ATOM 0 HE ARG A 82 -11.344 11.268 1.967 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -13.052 14.271 2.472 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -11.585 15.256 2.460 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -9.447 12.513 2.096 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -9.563 14.269 2.249 1.00 0.00 H new ATOM 1393 N ASP A 83 -15.692 13.884 -0.746 1.00 0.00 N ATOM 1394 CA ASP A 83 -15.579 15.107 -1.594 1.00 0.00 C ATOM 1395 C ASP A 83 -14.144 15.329 -2.087 1.00 0.00 C ATOM 1396 O ASP A 83 -13.913 15.607 -3.247 1.00 0.00 O ATOM 1397 CB ASP A 83 -16.007 16.254 -0.680 1.00 0.00 C ATOM 1398 CG ASP A 83 -17.532 16.257 -0.548 1.00 0.00 C ATOM 1399 OD1 ASP A 83 -18.173 15.544 -1.302 1.00 0.00 O ATOM 1400 OD2 ASP A 83 -18.031 16.972 0.305 1.00 0.00 O ATOM 0 H ASP A 83 -15.814 14.065 0.250 1.00 0.00 H new ATOM 0 HA ASP A 83 -16.194 15.026 -2.490 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -15.546 16.143 0.302 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -15.664 17.205 -1.087 1.00 0.00 H new ATOM 1405 N ASN A 84 -13.182 15.245 -1.207 1.00 0.00 N ATOM 1406 CA ASN A 84 -11.767 15.492 -1.617 1.00 0.00 C ATOM 1407 C ASN A 84 -11.182 14.302 -2.384 1.00 0.00 C ATOM 1408 O ASN A 84 -10.116 14.395 -2.960 1.00 0.00 O ATOM 1409 CB ASN A 84 -11.011 15.707 -0.307 1.00 0.00 C ATOM 1410 CG ASN A 84 -11.447 17.030 0.322 1.00 0.00 C ATOM 1411 OD1 ASN A 84 -11.998 17.050 1.403 1.00 0.00 O ATOM 1412 ND2 ASN A 84 -11.219 18.145 -0.315 1.00 0.00 N ATOM 0 H ASN A 84 -13.314 15.016 -0.222 1.00 0.00 H new ATOM 0 HA ASN A 84 -11.692 16.346 -2.290 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -11.209 14.883 0.379 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -9.937 15.717 -0.492 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -11.504 19.034 0.095 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -10.756 18.128 -1.224 1.00 0.00 H new ATOM 1419 N VAL A 85 -11.854 13.186 -2.402 1.00 0.00 N ATOM 1420 CA VAL A 85 -11.307 12.013 -3.139 1.00 0.00 C ATOM 1421 C VAL A 85 -11.618 12.137 -4.633 1.00 0.00 C ATOM 1422 O VAL A 85 -12.760 12.255 -5.031 1.00 0.00 O ATOM 1423 CB VAL A 85 -12.016 10.801 -2.544 1.00 0.00 C ATOM 1424 CG1 VAL A 85 -11.749 9.585 -3.427 1.00 0.00 C ATOM 1425 CG2 VAL A 85 -11.479 10.536 -1.136 1.00 0.00 C ATOM 0 H VAL A 85 -12.752 13.035 -1.942 1.00 0.00 H new ATOM 0 HA VAL A 85 -10.224 11.936 -3.044 1.00 0.00 H new ATOM 0 HB VAL A 85 -13.088 10.991 -2.492 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -12.253 8.714 -3.008 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -12.127 9.775 -4.432 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -10.676 9.397 -3.473 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -11.986 9.670 -0.710 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -10.408 10.342 -1.186 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -11.661 11.408 -0.507 1.00 0.00 H new ATOM 1435 N ARG A 86 -10.610 12.115 -5.463 1.00 0.00 N ATOM 1436 CA ARG A 86 -10.851 12.236 -6.929 1.00 0.00 C ATOM 1437 C ARG A 86 -10.858 10.854 -7.585 1.00 0.00 C ATOM 1438 O ARG A 86 -11.603 10.600 -8.511 1.00 0.00 O ATOM 1439 CB ARG A 86 -9.679 13.069 -7.451 1.00 0.00 C ATOM 1440 CG ARG A 86 -10.212 14.290 -8.205 1.00 0.00 C ATOM 1441 CD ARG A 86 -10.464 13.919 -9.668 1.00 0.00 C ATOM 1442 NE ARG A 86 -9.183 14.218 -10.367 1.00 0.00 N ATOM 1443 CZ ARG A 86 -9.130 15.172 -11.257 1.00 0.00 C ATOM 1444 NH1 ARG A 86 -9.652 14.991 -12.439 1.00 0.00 N ATOM 1445 NH2 ARG A 86 -8.554 16.305 -10.966 1.00 0.00 N ATOM 0 H ARG A 86 -9.632 12.019 -5.190 1.00 0.00 H new ATOM 0 HA ARG A 86 -11.814 12.695 -7.152 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -9.049 13.388 -6.621 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -9.056 12.465 -8.111 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -11.135 14.640 -7.744 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -9.495 15.109 -8.145 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -10.732 12.867 -9.768 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -11.287 14.499 -10.086 1.00 0.00 H new ATOM 0 HE ARG A 86 -8.346 13.677 -10.150 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -10.101 14.104 -12.668 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -9.611 15.736 -13.134 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -8.144 16.447 -10.043 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -8.513 17.050 -11.662 1.00 0.00 H new ATOM 1459 N ARG A 87 -10.032 9.959 -7.117 1.00 0.00 N ATOM 1460 CA ARG A 87 -9.991 8.598 -7.721 1.00 0.00 C ATOM 1461 C ARG A 87 -9.477 7.581 -6.694 1.00 0.00 C ATOM 1462 O ARG A 87 -8.772 7.920 -5.764 1.00 0.00 O ATOM 1463 CB ARG A 87 -9.029 8.739 -8.914 1.00 0.00 C ATOM 1464 CG ARG A 87 -8.141 7.497 -9.049 1.00 0.00 C ATOM 1465 CD ARG A 87 -7.263 7.628 -10.296 1.00 0.00 C ATOM 1466 NE ARG A 87 -6.036 8.330 -9.829 1.00 0.00 N ATOM 1467 CZ ARG A 87 -4.874 8.015 -10.328 1.00 0.00 C ATOM 1468 NH1 ARG A 87 -4.722 7.925 -11.622 1.00 0.00 N ATOM 1469 NH2 ARG A 87 -3.861 7.788 -9.536 1.00 0.00 N ATOM 0 H ARG A 87 -9.385 10.111 -6.344 1.00 0.00 H new ATOM 0 HA ARG A 87 -10.971 8.238 -8.036 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -9.599 8.885 -9.831 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -8.406 9.624 -8.782 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -7.517 7.385 -8.162 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -8.759 6.602 -9.119 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -7.024 6.651 -10.715 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -7.769 8.195 -11.078 1.00 0.00 H new ATOM 0 HE ARG A 87 -6.105 9.058 -9.118 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -5.513 8.101 -12.242 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -3.813 7.678 -12.013 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -3.978 7.857 -8.525 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -2.952 7.542 -9.928 1.00 0.00 H new ATOM 1483 N VAL A 88 -9.823 6.337 -6.868 1.00 0.00 N ATOM 1484 CA VAL A 88 -9.359 5.286 -5.919 1.00 0.00 C ATOM 1485 C VAL A 88 -8.758 4.116 -6.702 1.00 0.00 C ATOM 1486 O VAL A 88 -9.386 3.559 -7.579 1.00 0.00 O ATOM 1487 CB VAL A 88 -10.612 4.843 -5.162 1.00 0.00 C ATOM 1488 CG1 VAL A 88 -10.927 5.856 -4.060 1.00 0.00 C ATOM 1489 CG2 VAL A 88 -11.798 4.753 -6.127 1.00 0.00 C ATOM 0 H VAL A 88 -10.411 6.000 -7.631 1.00 0.00 H new ATOM 0 HA VAL A 88 -8.590 5.649 -5.238 1.00 0.00 H new ATOM 0 HB VAL A 88 -10.435 3.863 -4.718 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -11.820 5.541 -3.520 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -10.087 5.914 -3.368 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -11.099 6.836 -4.505 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -12.687 4.437 -5.582 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -11.976 5.730 -6.577 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -11.576 4.028 -6.910 1.00 0.00 H new ATOM 1499 N MET A 89 -7.545 3.744 -6.399 1.00 0.00 N ATOM 1500 CA MET A 89 -6.909 2.615 -7.137 1.00 0.00 C ATOM 1501 C MET A 89 -6.815 1.374 -6.247 1.00 0.00 C ATOM 1502 O MET A 89 -6.332 1.430 -5.132 1.00 0.00 O ATOM 1503 CB MET A 89 -5.512 3.120 -7.500 1.00 0.00 C ATOM 1504 CG MET A 89 -5.167 2.684 -8.926 1.00 0.00 C ATOM 1505 SD MET A 89 -3.397 2.933 -9.220 1.00 0.00 S ATOM 1506 CE MET A 89 -3.373 4.719 -8.929 1.00 0.00 C ATOM 0 H MET A 89 -6.968 4.171 -5.675 1.00 0.00 H new ATOM 0 HA MET A 89 -7.484 2.325 -8.017 1.00 0.00 H new ATOM 0 HB2 MET A 89 -5.474 4.207 -7.421 1.00 0.00 H new ATOM 0 HB3 MET A 89 -4.777 2.724 -6.799 1.00 0.00 H new ATOM 0 HG2 MET A 89 -5.427 1.635 -9.070 1.00 0.00 H new ATOM 0 HG3 MET A 89 -5.751 3.259 -9.645 1.00 0.00 H new ATOM 0 HE1 MET A 89 -2.773 5.205 -9.698 1.00 0.00 H new ATOM 0 HE2 MET A 89 -4.391 5.107 -8.964 1.00 0.00 H new ATOM 0 HE3 MET A 89 -2.941 4.922 -7.949 1.00 0.00 H new ATOM 1516 N VAL A 90 -7.264 0.249 -6.736 1.00 0.00 N ATOM 1517 CA VAL A 90 -7.192 -1.000 -5.925 1.00 0.00 C ATOM 1518 C VAL A 90 -6.047 -1.882 -6.432 1.00 0.00 C ATOM 1519 O VAL A 90 -6.076 -2.376 -7.542 1.00 0.00 O ATOM 1520 CB VAL A 90 -8.541 -1.693 -6.132 1.00 0.00 C ATOM 1521 CG1 VAL A 90 -8.633 -2.225 -7.564 1.00 0.00 C ATOM 1522 CG2 VAL A 90 -8.671 -2.858 -5.148 1.00 0.00 C ATOM 0 H VAL A 90 -7.678 0.141 -7.662 1.00 0.00 H new ATOM 0 HA VAL A 90 -7.002 -0.801 -4.870 1.00 0.00 H new ATOM 0 HB VAL A 90 -9.345 -0.977 -5.960 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -9.595 -2.718 -7.708 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -8.541 -1.397 -8.266 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -7.829 -2.940 -7.739 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -9.631 -3.352 -5.294 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -7.865 -3.572 -5.321 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -8.609 -2.481 -4.127 1.00 0.00 H new ATOM 1532 N VAL A 91 -5.032 -2.075 -5.634 1.00 0.00 N ATOM 1533 CA VAL A 91 -3.886 -2.911 -6.078 1.00 0.00 C ATOM 1534 C VAL A 91 -3.532 -3.946 -5.007 1.00 0.00 C ATOM 1535 O VAL A 91 -3.439 -3.634 -3.836 1.00 0.00 O ATOM 1536 CB VAL A 91 -2.743 -1.920 -6.260 1.00 0.00 C ATOM 1537 CG1 VAL A 91 -3.056 -0.985 -7.429 1.00 0.00 C ATOM 1538 CG2 VAL A 91 -2.577 -1.099 -4.980 1.00 0.00 C ATOM 0 H VAL A 91 -4.949 -1.689 -4.694 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.104 -3.468 -6.989 1.00 0.00 H new ATOM 0 HB VAL A 91 -1.821 -2.462 -6.469 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -2.237 -0.277 -7.558 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.176 -1.570 -8.341 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.978 -0.441 -7.223 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.760 -0.389 -5.107 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.500 -0.557 -4.773 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.353 -1.765 -4.147 1.00 0.00 H new ATOM 1548 N LYS A 92 -3.326 -5.174 -5.398 1.00 0.00 N ATOM 1549 CA LYS A 92 -2.972 -6.222 -4.405 1.00 0.00 C ATOM 1550 C LYS A 92 -1.460 -6.201 -4.152 1.00 0.00 C ATOM 1551 O LYS A 92 -0.680 -5.883 -5.028 1.00 0.00 O ATOM 1552 CB LYS A 92 -3.410 -7.536 -5.063 1.00 0.00 C ATOM 1553 CG LYS A 92 -2.565 -8.697 -4.537 1.00 0.00 C ATOM 1554 CD LYS A 92 -3.380 -9.991 -4.590 1.00 0.00 C ATOM 1555 CE LYS A 92 -2.636 -11.097 -3.838 1.00 0.00 C ATOM 1556 NZ LYS A 92 -1.240 -11.037 -4.352 1.00 0.00 N ATOM 0 H LYS A 92 -3.388 -5.495 -6.364 1.00 0.00 H new ATOM 0 HA LYS A 92 -3.452 -6.078 -3.437 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -4.464 -7.721 -4.856 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -3.306 -7.462 -6.145 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -1.660 -8.801 -5.135 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -2.250 -8.496 -3.513 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -4.362 -9.832 -4.145 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -3.543 -10.288 -5.626 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -2.668 -10.933 -2.761 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -3.084 -12.073 -4.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -0.766 -11.946 -4.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -1.254 -10.846 -5.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -0.723 -10.277 -3.865 1.00 0.00 H new ATOM 1570 N SER A 93 -1.041 -6.534 -2.962 1.00 0.00 N ATOM 1571 CA SER A 93 0.419 -6.528 -2.660 1.00 0.00 C ATOM 1572 C SER A 93 1.111 -7.698 -3.367 1.00 0.00 C ATOM 1573 O SER A 93 0.984 -8.840 -2.973 1.00 0.00 O ATOM 1574 CB SER A 93 0.510 -6.678 -1.141 1.00 0.00 C ATOM 1575 OG SER A 93 1.022 -7.965 -0.820 1.00 0.00 O ATOM 0 H SER A 93 -1.645 -6.809 -2.187 1.00 0.00 H new ATOM 0 HA SER A 93 0.911 -5.619 -3.006 1.00 0.00 H new ATOM 0 HB2 SER A 93 1.157 -5.904 -0.727 1.00 0.00 H new ATOM 0 HB3 SER A 93 -0.474 -6.545 -0.692 1.00 0.00 H new ATOM 0 HG SER A 93 0.622 -8.634 -1.415 1.00 0.00 H new ATOM 1581 N GLN A 94 1.843 -7.420 -4.411 1.00 0.00 N ATOM 1582 CA GLN A 94 2.545 -8.512 -5.144 1.00 0.00 C ATOM 1583 C GLN A 94 3.717 -7.938 -5.944 1.00 0.00 C ATOM 1584 O GLN A 94 3.752 -6.765 -6.258 1.00 0.00 O ATOM 1585 CB GLN A 94 1.491 -9.108 -6.078 1.00 0.00 C ATOM 1586 CG GLN A 94 0.903 -8.006 -6.961 1.00 0.00 C ATOM 1587 CD GLN A 94 -0.031 -8.629 -8.000 1.00 0.00 C ATOM 1588 OE1 GLN A 94 -0.219 -9.829 -8.023 1.00 0.00 O ATOM 1589 NE2 GLN A 94 -0.628 -7.860 -8.869 1.00 0.00 N ATOM 0 H GLN A 94 1.985 -6.483 -4.788 1.00 0.00 H new ATOM 0 HA GLN A 94 2.958 -9.264 -4.472 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.938 -9.885 -6.698 1.00 0.00 H new ATOM 0 HB3 GLN A 94 0.701 -9.581 -5.495 1.00 0.00 H new ATOM 0 HG2 GLN A 94 0.357 -7.288 -6.349 1.00 0.00 H new ATOM 0 HG3 GLN A 94 1.703 -7.458 -7.458 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -0.471 -6.852 -8.851 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -1.252 -8.267 -9.566 1.00 0.00 H new ATOM 1598 N GLU A 95 4.680 -8.754 -6.273 1.00 0.00 N ATOM 1599 CA GLU A 95 5.851 -8.253 -7.048 1.00 0.00 C ATOM 1600 C GLU A 95 5.444 -7.956 -8.494 1.00 0.00 C ATOM 1601 O GLU A 95 4.466 -8.483 -8.986 1.00 0.00 O ATOM 1602 CB GLU A 95 6.873 -9.389 -7.000 1.00 0.00 C ATOM 1603 CG GLU A 95 7.944 -9.067 -5.956 1.00 0.00 C ATOM 1604 CD GLU A 95 9.317 -9.023 -6.627 1.00 0.00 C ATOM 1605 OE1 GLU A 95 9.458 -9.618 -7.683 1.00 0.00 O ATOM 1606 OE2 GLU A 95 10.205 -8.396 -6.073 1.00 0.00 O ATOM 0 H GLU A 95 4.707 -9.746 -6.039 1.00 0.00 H new ATOM 0 HA GLU A 95 6.252 -7.327 -6.637 1.00 0.00 H new ATOM 0 HB2 GLU A 95 6.378 -10.328 -6.751 1.00 0.00 H new ATOM 0 HB3 GLU A 95 7.333 -9.521 -7.980 1.00 0.00 H new ATOM 0 HG2 GLU A 95 7.728 -8.109 -5.483 1.00 0.00 H new ATOM 0 HG3 GLU A 95 7.937 -9.821 -5.168 1.00 0.00 H new ATOM 1613 N PRO A 96 6.218 -7.114 -9.126 1.00 0.00 N ATOM 1614 CA PRO A 96 5.943 -6.734 -10.533 1.00 0.00 C ATOM 1615 C PRO A 96 6.295 -7.891 -11.472 1.00 0.00 C ATOM 1616 O PRO A 96 7.222 -7.810 -12.252 1.00 0.00 O ATOM 1617 CB PRO A 96 6.869 -5.544 -10.769 1.00 0.00 C ATOM 1618 CG PRO A 96 7.982 -5.721 -9.786 1.00 0.00 C ATOM 1619 CD PRO A 96 7.409 -6.444 -8.594 1.00 0.00 C ATOM 0 HA PRO A 96 4.896 -6.496 -10.718 1.00 0.00 H new ATOM 0 HB2 PRO A 96 7.244 -5.532 -11.792 1.00 0.00 H new ATOM 0 HB3 PRO A 96 6.348 -4.600 -10.610 1.00 0.00 H new ATOM 0 HG2 PRO A 96 8.799 -6.293 -10.227 1.00 0.00 H new ATOM 0 HG3 PRO A 96 8.392 -4.755 -9.490 1.00 0.00 H new ATOM 0 HD2 PRO A 96 8.120 -7.160 -8.182 1.00 0.00 H new ATOM 0 HD3 PRO A 96 7.153 -5.752 -7.792 1.00 0.00 H new ATOM 1627 N PHE A 97 5.564 -8.968 -11.398 1.00 0.00 N ATOM 1628 CA PHE A 97 5.858 -10.131 -12.284 1.00 0.00 C ATOM 1629 C PHE A 97 4.568 -10.889 -12.606 1.00 0.00 C ATOM 1630 O PHE A 97 4.458 -12.074 -12.365 1.00 0.00 O ATOM 1631 CB PHE A 97 6.811 -11.012 -11.475 1.00 0.00 C ATOM 1632 CG PHE A 97 7.848 -11.613 -12.393 1.00 0.00 C ATOM 1633 CD1 PHE A 97 8.962 -10.857 -12.781 1.00 0.00 C ATOM 1634 CD2 PHE A 97 7.698 -12.926 -12.856 1.00 0.00 C ATOM 1635 CE1 PHE A 97 9.924 -11.415 -13.632 1.00 0.00 C ATOM 1636 CE2 PHE A 97 8.659 -13.484 -13.706 1.00 0.00 C ATOM 1637 CZ PHE A 97 9.773 -12.729 -14.094 1.00 0.00 C ATOM 0 H PHE A 97 4.776 -9.094 -10.763 1.00 0.00 H new ATOM 0 HA PHE A 97 6.293 -9.827 -13.236 1.00 0.00 H new ATOM 0 HB2 PHE A 97 7.297 -10.422 -10.698 1.00 0.00 H new ATOM 0 HB3 PHE A 97 6.253 -11.803 -10.973 1.00 0.00 H new ATOM 0 HD1 PHE A 97 9.079 -9.844 -12.424 1.00 0.00 H new ATOM 0 HD2 PHE A 97 6.839 -13.509 -12.557 1.00 0.00 H new ATOM 0 HE1 PHE A 97 10.782 -10.832 -13.932 1.00 0.00 H new ATOM 0 HE2 PHE A 97 8.542 -14.497 -14.063 1.00 0.00 H new ATOM 0 HZ PHE A 97 10.516 -13.160 -14.749 1.00 0.00 H new ATOM 1647 N LEU A 98 3.591 -10.216 -13.148 1.00 0.00 N ATOM 1648 CA LEU A 98 2.310 -10.903 -13.482 1.00 0.00 C ATOM 1649 C LEU A 98 1.602 -10.180 -14.630 1.00 0.00 C ATOM 1650 O LEU A 98 1.173 -9.052 -14.495 1.00 0.00 O ATOM 1651 CB LEU A 98 1.476 -10.825 -12.203 1.00 0.00 C ATOM 1652 CG LEU A 98 1.149 -12.237 -11.718 1.00 0.00 C ATOM 1653 CD1 LEU A 98 0.397 -12.160 -10.388 1.00 0.00 C ATOM 1654 CD2 LEU A 98 0.272 -12.941 -12.758 1.00 0.00 C ATOM 0 H LEU A 98 3.623 -9.222 -13.374 1.00 0.00 H new ATOM 0 HA LEU A 98 2.466 -11.932 -13.806 1.00 0.00 H new ATOM 0 HB2 LEU A 98 2.023 -10.282 -11.432 1.00 0.00 H new ATOM 0 HB3 LEU A 98 0.556 -10.271 -12.390 1.00 0.00 H new ATOM 0 HG LEU A 98 2.074 -12.797 -11.580 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.164 -13.167 -10.043 1.00 0.00 H new ATOM 0 HD12 LEU A 98 1.019 -11.657 -9.647 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.528 -11.601 -10.525 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.037 -13.948 -12.414 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -0.652 -12.380 -12.894 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.806 -12.997 -13.707 1.00 0.00 H new ATOM 1666 N ALA A 99 1.474 -10.823 -15.758 1.00 0.00 N ATOM 1667 CA ALA A 99 0.791 -10.173 -16.914 1.00 0.00 C ATOM 1668 C ALA A 99 -0.106 -11.184 -17.635 1.00 0.00 C ATOM 1669 O ALA A 99 -0.129 -11.254 -18.847 1.00 0.00 O ATOM 1670 CB ALA A 99 1.920 -9.708 -17.834 1.00 0.00 C ATOM 0 H ALA A 99 1.812 -11.770 -15.930 1.00 0.00 H new ATOM 0 HA ALA A 99 0.153 -9.346 -16.603 1.00 0.00 H new ATOM 0 HB1 ALA A 99 1.496 -9.218 -18.711 1.00 0.00 H new ATOM 0 HB2 ALA A 99 2.559 -9.006 -17.299 1.00 0.00 H new ATOM 0 HB3 ALA A 99 2.510 -10.568 -18.149 1.00 0.00 H new ATOM 1676 N ASN A 100 -0.845 -11.966 -16.897 1.00 0.00 N ATOM 1677 CA ASN A 100 -1.741 -12.970 -17.539 1.00 0.00 C ATOM 1678 C ASN A 100 -2.831 -13.410 -16.558 1.00 0.00 C ATOM 1679 O ASN A 100 -3.417 -14.465 -16.698 1.00 0.00 O ATOM 1680 CB ASN A 100 -0.830 -14.146 -17.892 1.00 0.00 C ATOM 1681 CG ASN A 100 -0.366 -14.017 -19.345 1.00 0.00 C ATOM 1682 OD1 ASN A 100 0.797 -14.201 -19.641 1.00 0.00 O ATOM 1683 ND2 ASN A 100 -1.234 -13.703 -20.267 1.00 0.00 N ATOM 0 H ASN A 100 -0.867 -11.953 -15.877 1.00 0.00 H new ATOM 0 HA ASN A 100 -2.248 -12.570 -18.417 1.00 0.00 H new ATOM 0 HB2 ASN A 100 0.032 -14.165 -17.225 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -1.362 -15.087 -17.752 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -0.936 -13.612 -21.238 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -2.211 -13.549 -20.017 1.00 0.00 H new ATOM 1690 N ALA A 101 -3.108 -12.608 -15.566 1.00 0.00 N ATOM 1691 CA ALA A 101 -4.161 -12.981 -14.578 1.00 0.00 C ATOM 1692 C ALA A 101 -4.797 -11.723 -13.982 1.00 0.00 C ATOM 1693 O ALA A 101 -5.789 -11.269 -14.528 1.00 0.00 O ATOM 1694 CB ALA A 101 -3.427 -13.776 -13.498 1.00 0.00 C ATOM 1695 OXT ALA A 101 -4.282 -11.236 -12.989 1.00 0.00 O ATOM 0 H ALA A 101 -2.651 -11.712 -15.397 1.00 0.00 H new ATOM 0 HA ALA A 101 -4.967 -13.558 -15.031 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -4.136 -14.088 -12.731 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.965 -14.656 -13.945 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -2.656 -13.151 -13.047 1.00 0.00 H new TER 1701 ALA A 101