USER MOD reduce.3.24.130724 H: found=0, std=0, add=724, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 722 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 79 GLN : amide:sc= -5.88! C(o=-6!,f=-9.7!) USER MOD Set 1.2: A 85 THR OG1 : rot 110:sc= -0.0987 USER MOD Set 2.1: A 19 MET CE :methyl 163:sc= 0 (180deg=-0.267) USER MOD Set 2.2: A 20 ASN : amide:sc= -0.0888 K(o=-0.089,f=-1.9!) USER MOD Set 3.1: A 13 SER OG : rot -170:sc= 0.011 USER MOD Set 3.2: A 67 LYS NZ :NH3+ -128:sc= 0.0055 (180deg=-0.0185) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -2.22! C(o=-2.2!,f=-3.5!) USER MOD Single : A 27 GLN :FLIP amide:sc= -2.41! C(o=-3.1!,f=-2.4!) USER MOD Single : A 33 GLN : amide:sc= -0.18 K(o=-0.18,f=-2.4!) USER MOD Single : A 34 TYR OH : rot 180:sc= -5.34! USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc=-0.00118 USER MOD Single : A 39 GLN : amide:sc= -0.448 K(o=-0.45,f=-1.4) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= -0.428 X(o=-0.43,f=-0.23) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl -112:sc= -4.31! (180deg=-6.54!) USER MOD Single : A 51 SER OG : rot -53:sc= 0.441 USER MOD Single : A 57 THR OG1 : rot 72:sc= 0.095 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc= -0.0772 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 0:sc= 1 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc=-0.000524 (180deg=-0.000524) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HD1:sc= -2.13! X(o=-2.1!,f=-1.7) USER MOD Single : A 76 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.316) USER MOD Single : A 81 MET CE :methyl 140:sc= -5.19! (180deg=-9.64!) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 108:sc= 0.126 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.383 3.973 -1.041 1.00 0.00 N ATOM 2 CA GLY A 1 12.266 2.900 -0.622 1.00 0.00 C ATOM 3 C GLY A 1 11.520 1.762 0.045 1.00 0.00 C ATOM 4 O GLY A 1 10.843 1.962 1.054 1.00 0.00 O ATOM 0 H1 GLY A 1 11.941 4.726 -1.491 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.687 3.605 -1.721 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.887 4.358 -0.212 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.805 2.518 -1.489 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.011 3.296 0.068 1.00 0.00 H new ATOM 8 N SER A 2 11.643 0.565 -0.519 1.00 0.00 N ATOM 9 CA SER A 2 10.970 -0.609 0.025 1.00 0.00 C ATOM 10 C SER A 2 11.594 -1.026 1.354 1.00 0.00 C ATOM 11 O SER A 2 12.596 -0.457 1.787 1.00 0.00 O ATOM 12 CB SER A 2 11.039 -1.769 -0.970 1.00 0.00 C ATOM 13 OG SER A 2 12.379 -2.038 -1.347 1.00 0.00 O ATOM 0 H SER A 2 12.202 0.382 -1.352 1.00 0.00 H new ATOM 0 HA SER A 2 9.926 -0.351 0.199 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.597 -2.661 -0.525 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.450 -1.529 -1.855 1.00 0.00 H new ATOM 0 HG SER A 2 12.397 -2.784 -1.982 1.00 0.00 H new ATOM 19 N SER A 3 10.993 -2.023 1.995 1.00 0.00 N ATOM 20 CA SER A 3 11.486 -2.514 3.277 1.00 0.00 C ATOM 21 C SER A 3 11.347 -4.031 3.367 1.00 0.00 C ATOM 22 O SER A 3 10.366 -4.605 2.895 1.00 0.00 O ATOM 23 CB SER A 3 10.726 -1.852 4.428 1.00 0.00 C ATOM 24 OG SER A 3 9.365 -2.244 4.432 1.00 0.00 O ATOM 0 H SER A 3 10.165 -2.507 1.648 1.00 0.00 H new ATOM 0 HA SER A 3 12.543 -2.257 3.354 1.00 0.00 H new ATOM 0 HB2 SER A 3 11.189 -2.123 5.377 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.795 -0.768 4.338 1.00 0.00 H new ATOM 0 HG SER A 3 8.901 -1.809 5.178 1.00 0.00 H new ATOM 30 N GLY A 4 12.338 -4.675 3.976 1.00 0.00 N ATOM 31 CA GLY A 4 12.309 -6.119 4.117 1.00 0.00 C ATOM 32 C GLY A 4 11.576 -6.564 5.368 1.00 0.00 C ATOM 33 O GLY A 4 10.690 -7.416 5.306 1.00 0.00 O ATOM 0 H GLY A 4 13.161 -4.222 4.374 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.828 -6.557 3.242 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.330 -6.499 4.143 1.00 0.00 H new ATOM 37 N SER A 5 11.948 -5.988 6.506 1.00 0.00 N ATOM 38 CA SER A 5 11.324 -6.335 7.778 1.00 0.00 C ATOM 39 C SER A 5 10.961 -7.816 7.818 1.00 0.00 C ATOM 40 O SER A 5 9.879 -8.189 8.272 1.00 0.00 O ATOM 41 CB SER A 5 10.073 -5.484 8.004 1.00 0.00 C ATOM 42 OG SER A 5 10.385 -4.102 7.990 1.00 0.00 O ATOM 0 H SER A 5 12.678 -5.279 6.574 1.00 0.00 H new ATOM 0 HA SER A 5 12.040 -6.133 8.574 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.337 -5.701 7.230 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.618 -5.747 8.959 1.00 0.00 H new ATOM 0 HG SER A 5 9.568 -3.581 8.135 1.00 0.00 H new ATOM 48 N SER A 6 11.873 -8.656 7.340 1.00 0.00 N ATOM 49 CA SER A 6 11.648 -10.097 7.318 1.00 0.00 C ATOM 50 C SER A 6 11.656 -10.670 8.732 1.00 0.00 C ATOM 51 O SER A 6 12.693 -10.709 9.392 1.00 0.00 O ATOM 52 CB SER A 6 12.718 -10.788 6.470 1.00 0.00 C ATOM 53 OG SER A 6 12.390 -12.148 6.246 1.00 0.00 O ATOM 0 H SER A 6 12.775 -8.364 6.963 1.00 0.00 H new ATOM 0 HA SER A 6 10.669 -10.280 6.876 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.819 -10.273 5.515 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.683 -10.721 6.972 1.00 0.00 H new ATOM 0 HG SER A 6 13.088 -12.567 5.700 1.00 0.00 H new ATOM 59 N GLY A 7 10.489 -11.113 9.191 1.00 0.00 N ATOM 60 CA GLY A 7 10.383 -11.678 10.523 1.00 0.00 C ATOM 61 C GLY A 7 9.896 -13.114 10.507 1.00 0.00 C ATOM 62 O GLY A 7 10.633 -14.022 10.122 1.00 0.00 O ATOM 0 H GLY A 7 9.616 -11.090 8.664 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.356 -11.633 11.012 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.699 -11.072 11.118 1.00 0.00 H new ATOM 66 N ARG A 8 8.652 -13.320 10.927 1.00 0.00 N ATOM 67 CA ARG A 8 8.069 -14.656 10.962 1.00 0.00 C ATOM 68 C ARG A 8 7.124 -14.868 9.783 1.00 0.00 C ATOM 69 O ARG A 8 5.934 -14.560 9.864 1.00 0.00 O ATOM 70 CB ARG A 8 7.319 -14.874 12.277 1.00 0.00 C ATOM 71 CG ARG A 8 7.241 -16.332 12.699 1.00 0.00 C ATOM 72 CD ARG A 8 6.345 -16.513 13.914 1.00 0.00 C ATOM 73 NE ARG A 8 7.077 -16.336 15.166 1.00 0.00 N ATOM 74 CZ ARG A 8 6.490 -16.242 16.354 1.00 0.00 C ATOM 75 NH1 ARG A 8 5.169 -16.310 16.452 1.00 0.00 N ATOM 76 NH2 ARG A 8 7.224 -16.082 17.447 1.00 0.00 N ATOM 0 H ARG A 8 8.029 -12.579 11.248 1.00 0.00 H new ATOM 0 HA ARG A 8 8.880 -15.381 10.890 1.00 0.00 H new ATOM 0 HB2 ARG A 8 7.810 -14.302 13.065 1.00 0.00 H new ATOM 0 HB3 ARG A 8 6.308 -14.478 12.179 1.00 0.00 H new ATOM 0 HG2 ARG A 8 6.860 -16.931 11.872 1.00 0.00 H new ATOM 0 HG3 ARG A 8 8.242 -16.700 12.925 1.00 0.00 H new ATOM 0 HD2 ARG A 8 5.525 -15.797 13.869 1.00 0.00 H new ATOM 0 HD3 ARG A 8 5.901 -17.508 13.892 1.00 0.00 H new ATOM 0 HE ARG A 8 8.095 -16.282 15.126 1.00 0.00 H new ATOM 0 HH11 ARG A 8 4.601 -16.435 15.614 1.00 0.00 H new ATOM 0 HH12 ARG A 8 4.721 -16.238 17.365 1.00 0.00 H new ATOM 0 HH21 ARG A 8 8.240 -16.031 17.376 1.00 0.00 H new ATOM 0 HH22 ARG A 8 6.772 -16.010 18.359 1.00 0.00 H new ATOM 90 N LYS A 9 7.661 -15.394 8.688 1.00 0.00 N ATOM 91 CA LYS A 9 6.866 -15.647 7.492 1.00 0.00 C ATOM 92 C LYS A 9 6.211 -17.024 7.555 1.00 0.00 C ATOM 93 O LYS A 9 5.856 -17.600 6.527 1.00 0.00 O ATOM 94 CB LYS A 9 7.742 -15.546 6.241 1.00 0.00 C ATOM 95 CG LYS A 9 8.905 -16.524 6.231 1.00 0.00 C ATOM 96 CD LYS A 9 8.513 -17.848 5.599 1.00 0.00 C ATOM 97 CE LYS A 9 9.736 -18.689 5.265 1.00 0.00 C ATOM 98 NZ LYS A 9 9.411 -19.786 4.311 1.00 0.00 N ATOM 0 H LYS A 9 8.644 -15.654 8.604 1.00 0.00 H new ATOM 0 HA LYS A 9 6.082 -14.892 7.442 1.00 0.00 H new ATOM 0 HB2 LYS A 9 7.124 -15.720 5.360 1.00 0.00 H new ATOM 0 HB3 LYS A 9 8.131 -14.531 6.161 1.00 0.00 H new ATOM 0 HG2 LYS A 9 9.741 -16.091 5.682 1.00 0.00 H new ATOM 0 HG3 LYS A 9 9.248 -16.694 7.252 1.00 0.00 H new ATOM 0 HD2 LYS A 9 7.865 -18.400 6.280 1.00 0.00 H new ATOM 0 HD3 LYS A 9 7.938 -17.663 4.692 1.00 0.00 H new ATOM 0 HE2 LYS A 9 10.509 -18.052 4.836 1.00 0.00 H new ATOM 0 HE3 LYS A 9 10.146 -19.114 6.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 10.270 -20.336 4.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 8.692 -20.409 4.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 9.044 -19.380 3.427 1.00 0.00 H new ATOM 112 N ILE A 10 6.054 -17.543 8.768 1.00 0.00 N ATOM 113 CA ILE A 10 5.439 -18.850 8.965 1.00 0.00 C ATOM 114 C ILE A 10 3.988 -18.713 9.413 1.00 0.00 C ATOM 115 O ILE A 10 3.566 -19.336 10.389 1.00 0.00 O ATOM 116 CB ILE A 10 6.209 -19.684 10.005 1.00 0.00 C ATOM 117 CG1 ILE A 10 7.661 -19.878 9.562 1.00 0.00 C ATOM 118 CG2 ILE A 10 5.529 -21.028 10.215 1.00 0.00 C ATOM 119 CD1 ILE A 10 7.800 -20.669 8.280 1.00 0.00 C ATOM 0 H ILE A 10 6.344 -17.079 9.629 1.00 0.00 H new ATOM 0 HA ILE A 10 5.473 -19.362 8.004 1.00 0.00 H new ATOM 0 HB ILE A 10 6.207 -19.146 10.953 1.00 0.00 H new ATOM 0 HG12 ILE A 10 8.126 -18.901 9.429 1.00 0.00 H new ATOM 0 HG13 ILE A 10 8.210 -20.387 10.355 1.00 0.00 H new ATOM 0 HG21 ILE A 10 6.085 -21.606 10.953 1.00 0.00 H new ATOM 0 HG22 ILE A 10 4.511 -20.869 10.571 1.00 0.00 H new ATOM 0 HG23 ILE A 10 5.503 -21.574 9.272 1.00 0.00 H new ATOM 0 HD11 ILE A 10 8.855 -20.768 8.026 1.00 0.00 H new ATOM 0 HD12 ILE A 10 7.365 -21.659 8.415 1.00 0.00 H new ATOM 0 HD13 ILE A 10 7.280 -20.151 7.474 1.00 0.00 H new ATOM 131 N LEU A 11 3.227 -17.895 8.695 1.00 0.00 N ATOM 132 CA LEU A 11 1.821 -17.677 9.017 1.00 0.00 C ATOM 133 C LEU A 11 0.994 -17.490 7.749 1.00 0.00 C ATOM 134 O LEU A 11 1.379 -16.741 6.850 1.00 0.00 O ATOM 135 CB LEU A 11 1.669 -16.454 9.924 1.00 0.00 C ATOM 136 CG LEU A 11 1.983 -16.673 11.404 1.00 0.00 C ATOM 137 CD1 LEU A 11 2.093 -15.341 12.129 1.00 0.00 C ATOM 138 CD2 LEU A 11 0.920 -17.548 12.051 1.00 0.00 C ATOM 0 H LEU A 11 3.560 -17.371 7.885 1.00 0.00 H new ATOM 0 HA LEU A 11 1.453 -18.559 9.541 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.320 -15.665 9.548 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.645 -16.090 9.840 1.00 0.00 H new ATOM 0 HG LEU A 11 2.942 -17.185 11.480 1.00 0.00 H new ATOM 0 HD11 LEU A 11 2.317 -15.517 13.181 1.00 0.00 H new ATOM 0 HD12 LEU A 11 2.891 -14.748 11.682 1.00 0.00 H new ATOM 0 HD13 LEU A 11 1.150 -14.801 12.044 1.00 0.00 H new ATOM 0 HD21 LEU A 11 1.160 -17.693 13.104 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.053 -17.064 11.964 1.00 0.00 H new ATOM 0 HD23 LEU A 11 0.890 -18.515 11.549 1.00 0.00 H new ATOM 150 N ASP A 12 -0.143 -18.173 7.684 1.00 0.00 N ATOM 151 CA ASP A 12 -1.026 -18.080 6.528 1.00 0.00 C ATOM 152 C ASP A 12 -2.485 -18.242 6.944 1.00 0.00 C ATOM 153 O ASP A 12 -2.799 -19.005 7.857 1.00 0.00 O ATOM 154 CB ASP A 12 -0.658 -19.141 5.491 1.00 0.00 C ATOM 155 CG ASP A 12 -1.106 -18.765 4.092 1.00 0.00 C ATOM 156 OD1 ASP A 12 -0.648 -17.721 3.583 1.00 0.00 O ATOM 157 OD2 ASP A 12 -1.917 -19.515 3.507 1.00 0.00 O ATOM 0 H ASP A 12 -0.475 -18.798 8.419 1.00 0.00 H new ATOM 0 HA ASP A 12 -0.901 -17.092 6.085 1.00 0.00 H new ATOM 0 HB2 ASP A 12 0.422 -19.290 5.496 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -1.112 -20.091 5.771 1.00 0.00 H new ATOM 162 N SER A 13 -3.372 -17.518 6.268 1.00 0.00 N ATOM 163 CA SER A 13 -4.797 -17.578 6.571 1.00 0.00 C ATOM 164 C SER A 13 -5.610 -17.845 5.307 1.00 0.00 C ATOM 165 O SER A 13 -5.158 -17.573 4.195 1.00 0.00 O ATOM 166 CB SER A 13 -5.257 -16.272 7.221 1.00 0.00 C ATOM 167 OG SER A 13 -5.043 -16.296 8.621 1.00 0.00 O ATOM 0 H SER A 13 -3.129 -16.883 5.507 1.00 0.00 H new ATOM 0 HA SER A 13 -4.961 -18.400 7.268 1.00 0.00 H new ATOM 0 HB2 SER A 13 -4.717 -15.434 6.782 1.00 0.00 H new ATOM 0 HB3 SER A 13 -6.315 -16.112 7.014 1.00 0.00 H new ATOM 0 HG SER A 13 -5.485 -15.524 9.033 1.00 0.00 H new ATOM 173 N LYS A 14 -6.813 -18.378 5.487 1.00 0.00 N ATOM 174 CA LYS A 14 -7.692 -18.682 4.364 1.00 0.00 C ATOM 175 C LYS A 14 -8.544 -17.470 3.997 1.00 0.00 C ATOM 176 O LYS A 14 -9.067 -16.780 4.871 1.00 0.00 O ATOM 177 CB LYS A 14 -8.595 -19.870 4.703 1.00 0.00 C ATOM 178 CG LYS A 14 -7.836 -21.165 4.931 1.00 0.00 C ATOM 179 CD LYS A 14 -7.229 -21.691 3.641 1.00 0.00 C ATOM 180 CE LYS A 14 -6.522 -23.019 3.858 1.00 0.00 C ATOM 181 NZ LYS A 14 -7.463 -24.170 3.770 1.00 0.00 N ATOM 0 H LYS A 14 -7.202 -18.609 6.401 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.070 -18.940 3.507 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -9.171 -19.634 5.598 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -9.310 -20.015 3.893 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -7.047 -21.001 5.665 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -8.509 -21.913 5.349 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -8.012 -21.813 2.893 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -6.522 -20.961 3.247 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -5.734 -23.137 3.114 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -6.040 -23.018 4.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -6.942 -25.057 3.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -8.201 -24.072 4.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -7.904 -24.186 2.828 1.00 0.00 H new ATOM 195 N ALA A 15 -8.679 -17.219 2.699 1.00 0.00 N ATOM 196 CA ALA A 15 -9.471 -16.094 2.217 1.00 0.00 C ATOM 197 C ALA A 15 -10.132 -16.419 0.882 1.00 0.00 C ATOM 198 O ALA A 15 -9.527 -17.054 0.018 1.00 0.00 O ATOM 199 CB ALA A 15 -8.600 -14.853 2.089 1.00 0.00 C ATOM 0 H ALA A 15 -8.250 -17.779 1.962 1.00 0.00 H new ATOM 0 HA ALA A 15 -10.259 -15.898 2.944 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -9.204 -14.020 1.728 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -8.180 -14.601 3.063 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -7.791 -15.047 1.384 1.00 0.00 H new ATOM 205 N ILE A 16 -11.376 -15.981 0.721 1.00 0.00 N ATOM 206 CA ILE A 16 -12.118 -16.226 -0.509 1.00 0.00 C ATOM 207 C ILE A 16 -12.374 -14.926 -1.265 1.00 0.00 C ATOM 208 O ILE A 16 -13.347 -14.221 -0.995 1.00 0.00 O ATOM 209 CB ILE A 16 -13.465 -16.916 -0.226 1.00 0.00 C ATOM 210 CG1 ILE A 16 -13.261 -18.123 0.692 1.00 0.00 C ATOM 211 CG2 ILE A 16 -14.127 -17.341 -1.529 1.00 0.00 C ATOM 212 CD1 ILE A 16 -14.458 -18.426 1.566 1.00 0.00 C ATOM 0 H ILE A 16 -11.891 -15.455 1.427 1.00 0.00 H new ATOM 0 HA ILE A 16 -11.503 -16.885 -1.122 1.00 0.00 H new ATOM 0 HB ILE A 16 -14.121 -16.206 0.278 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -13.035 -18.998 0.083 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -12.393 -17.944 1.327 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -15.078 -17.827 -1.312 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -14.302 -16.463 -2.152 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -13.476 -18.037 -2.058 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -14.243 -19.293 2.190 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -14.672 -17.566 2.201 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -15.323 -18.637 0.938 1.00 0.00 H new ATOM 224 N ASP A 17 -11.497 -14.616 -2.212 1.00 0.00 N ATOM 225 CA ASP A 17 -11.629 -13.402 -3.010 1.00 0.00 C ATOM 226 C ASP A 17 -11.340 -12.164 -2.167 1.00 0.00 C ATOM 227 O ASP A 17 -12.002 -11.135 -2.308 1.00 0.00 O ATOM 228 CB ASP A 17 -13.034 -13.310 -3.608 1.00 0.00 C ATOM 229 CG ASP A 17 -13.649 -14.674 -3.854 1.00 0.00 C ATOM 230 OD1 ASP A 17 -12.886 -15.638 -4.072 1.00 0.00 O ATOM 231 OD2 ASP A 17 -14.894 -14.777 -3.829 1.00 0.00 O ATOM 0 H ASP A 17 -10.686 -15.188 -2.447 1.00 0.00 H new ATOM 0 HA ASP A 17 -10.900 -13.447 -3.819 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -13.676 -12.741 -2.935 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -12.990 -12.759 -4.548 1.00 0.00 H new ATOM 236 N LEU A 18 -10.349 -12.271 -1.289 1.00 0.00 N ATOM 237 CA LEU A 18 -9.972 -11.160 -0.421 1.00 0.00 C ATOM 238 C LEU A 18 -8.533 -10.728 -0.684 1.00 0.00 C ATOM 239 O LEU A 18 -8.271 -9.570 -1.006 1.00 0.00 O ATOM 240 CB LEU A 18 -10.138 -11.555 1.047 1.00 0.00 C ATOM 241 CG LEU A 18 -11.504 -12.119 1.440 1.00 0.00 C ATOM 242 CD1 LEU A 18 -11.465 -12.675 2.855 1.00 0.00 C ATOM 243 CD2 LEU A 18 -12.579 -11.049 1.315 1.00 0.00 C ATOM 0 H LEU A 18 -9.792 -13.115 -1.159 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.630 -10.319 -0.641 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -9.377 -12.296 1.291 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -9.938 -10.678 1.663 1.00 0.00 H new ATOM 0 HG LEU A 18 -11.749 -12.933 0.758 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -12.446 -13.072 3.117 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.724 -13.472 2.912 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -11.197 -11.880 3.551 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -13.544 -11.468 1.599 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -12.339 -10.213 1.973 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -12.625 -10.698 0.284 1.00 0.00 H new ATOM 255 N MET A 19 -7.604 -11.669 -0.547 1.00 0.00 N ATOM 256 CA MET A 19 -6.191 -11.385 -0.773 1.00 0.00 C ATOM 257 C MET A 19 -5.997 -10.575 -2.050 1.00 0.00 C ATOM 258 O MET A 19 -4.979 -9.906 -2.223 1.00 0.00 O ATOM 259 CB MET A 19 -5.395 -12.689 -0.855 1.00 0.00 C ATOM 260 CG MET A 19 -5.690 -13.504 -2.104 1.00 0.00 C ATOM 261 SD MET A 19 -7.150 -14.547 -1.924 1.00 0.00 S ATOM 262 CE MET A 19 -8.042 -14.143 -3.423 1.00 0.00 C ATOM 0 H MET A 19 -7.804 -12.633 -0.281 1.00 0.00 H new ATOM 0 HA MET A 19 -5.824 -10.796 0.068 1.00 0.00 H new ATOM 0 HB2 MET A 19 -4.330 -12.458 -0.825 1.00 0.00 H new ATOM 0 HB3 MET A 19 -5.614 -13.295 0.024 1.00 0.00 H new ATOM 0 HG2 MET A 19 -5.832 -12.829 -2.948 1.00 0.00 H new ATOM 0 HG3 MET A 19 -4.828 -14.129 -2.337 1.00 0.00 H new ATOM 0 HE1 MET A 19 -8.798 -14.905 -3.613 1.00 0.00 H new ATOM 0 HE2 MET A 19 -8.526 -13.173 -3.308 1.00 0.00 H new ATOM 0 HE3 MET A 19 -7.346 -14.105 -4.261 1.00 0.00 H new ATOM 272 N ASN A 20 -6.980 -10.641 -2.943 1.00 0.00 N ATOM 273 CA ASN A 20 -6.915 -9.913 -4.205 1.00 0.00 C ATOM 274 C ASN A 20 -6.518 -8.458 -3.975 1.00 0.00 C ATOM 275 O ASN A 20 -5.508 -7.990 -4.498 1.00 0.00 O ATOM 276 CB ASN A 20 -8.264 -9.978 -4.924 1.00 0.00 C ATOM 277 CG ASN A 20 -8.369 -11.173 -5.851 1.00 0.00 C ATOM 278 OD1 ASN A 20 -7.487 -12.032 -5.877 1.00 0.00 O ATOM 279 ND2 ASN A 20 -9.451 -11.234 -6.619 1.00 0.00 N ATOM 0 H ASN A 20 -7.830 -11.191 -2.816 1.00 0.00 H new ATOM 0 HA ASN A 20 -6.155 -10.383 -4.829 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -9.064 -10.023 -4.185 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -8.411 -9.063 -5.498 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -9.576 -12.015 -7.263 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -10.157 -10.500 -6.565 1.00 0.00 H new ATOM 286 N ALA A 21 -7.320 -7.749 -3.188 1.00 0.00 N ATOM 287 CA ALA A 21 -7.052 -6.348 -2.886 1.00 0.00 C ATOM 288 C ALA A 21 -5.552 -6.083 -2.801 1.00 0.00 C ATOM 289 O ALA A 21 -5.022 -5.223 -3.505 1.00 0.00 O ATOM 290 CB ALA A 21 -7.735 -5.948 -1.587 1.00 0.00 C ATOM 0 H ALA A 21 -8.161 -8.122 -2.748 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.457 -5.743 -3.697 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.526 -4.900 -1.374 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.811 -6.092 -1.683 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.358 -6.566 -0.772 1.00 0.00 H new ATOM 296 N LEU A 22 -4.873 -6.827 -1.934 1.00 0.00 N ATOM 297 CA LEU A 22 -3.434 -6.672 -1.755 1.00 0.00 C ATOM 298 C LEU A 22 -2.723 -6.600 -3.103 1.00 0.00 C ATOM 299 O LEU A 22 -1.965 -5.666 -3.367 1.00 0.00 O ATOM 300 CB LEU A 22 -2.874 -7.833 -0.932 1.00 0.00 C ATOM 301 CG LEU A 22 -2.887 -7.647 0.586 1.00 0.00 C ATOM 302 CD1 LEU A 22 -2.561 -8.956 1.287 1.00 0.00 C ATOM 303 CD2 LEU A 22 -1.905 -6.560 0.998 1.00 0.00 C ATOM 0 H LEU A 22 -5.296 -7.543 -1.344 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.258 -5.738 -1.221 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.443 -8.731 -1.173 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.846 -8.013 -1.247 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.888 -7.338 0.887 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.575 -8.804 2.366 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.302 -9.708 1.017 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.572 -9.296 0.981 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.927 -6.441 2.081 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.899 -6.840 0.684 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.184 -5.619 0.524 1.00 0.00 H new ATOM 315 N MET A 23 -2.974 -7.590 -3.953 1.00 0.00 N ATOM 316 CA MET A 23 -2.361 -7.637 -5.275 1.00 0.00 C ATOM 317 C MET A 23 -2.846 -6.478 -6.140 1.00 0.00 C ATOM 318 O MET A 23 -2.072 -5.891 -6.897 1.00 0.00 O ATOM 319 CB MET A 23 -2.676 -8.968 -5.960 1.00 0.00 C ATOM 320 CG MET A 23 -1.804 -10.118 -5.483 1.00 0.00 C ATOM 321 SD MET A 23 -2.557 -11.730 -5.780 1.00 0.00 S ATOM 322 CE MET A 23 -2.667 -12.365 -4.109 1.00 0.00 C ATOM 0 H MET A 23 -3.598 -8.371 -3.750 1.00 0.00 H new ATOM 0 HA MET A 23 -1.282 -7.548 -5.151 1.00 0.00 H new ATOM 0 HB2 MET A 23 -3.722 -9.219 -5.785 1.00 0.00 H new ATOM 0 HB3 MET A 23 -2.552 -8.851 -7.037 1.00 0.00 H new ATOM 0 HG2 MET A 23 -0.840 -10.073 -5.990 1.00 0.00 H new ATOM 0 HG3 MET A 23 -1.609 -10.003 -4.417 1.00 0.00 H new ATOM 0 HE1 MET A 23 -3.114 -13.359 -4.126 1.00 0.00 H new ATOM 0 HE2 MET A 23 -1.669 -12.424 -3.676 1.00 0.00 H new ATOM 0 HE3 MET A 23 -3.285 -11.699 -3.507 1.00 0.00 H new ATOM 332 N ARG A 24 -4.130 -6.156 -6.024 1.00 0.00 N ATOM 333 CA ARG A 24 -4.717 -5.069 -6.798 1.00 0.00 C ATOM 334 C ARG A 24 -4.107 -3.727 -6.400 1.00 0.00 C ATOM 335 O ARG A 24 -4.171 -2.756 -7.155 1.00 0.00 O ATOM 336 CB ARG A 24 -6.233 -5.032 -6.595 1.00 0.00 C ATOM 337 CG ARG A 24 -7.002 -5.870 -7.604 1.00 0.00 C ATOM 338 CD ARG A 24 -6.682 -7.349 -7.458 1.00 0.00 C ATOM 339 NE ARG A 24 -7.150 -8.125 -8.604 1.00 0.00 N ATOM 340 CZ ARG A 24 -6.845 -9.404 -8.798 1.00 0.00 C ATOM 341 NH1 ARG A 24 -6.078 -10.046 -7.928 1.00 0.00 N ATOM 342 NH2 ARG A 24 -7.309 -10.042 -9.865 1.00 0.00 N ATOM 0 H ARG A 24 -4.783 -6.632 -5.402 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.502 -5.248 -7.851 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -6.465 -5.384 -5.590 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -6.575 -3.999 -6.658 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.072 -5.713 -7.469 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -6.757 -5.541 -8.614 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -5.605 -7.478 -7.348 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -7.144 -7.732 -6.548 1.00 0.00 H new ATOM 0 HE ARG A 24 -7.743 -7.660 -9.292 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -5.720 -9.558 -7.107 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -5.846 -11.028 -8.080 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -7.900 -9.551 -10.536 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -7.075 -11.024 -10.014 1.00 0.00 H new ATOM 356 N LEU A 25 -3.518 -3.681 -5.211 1.00 0.00 N ATOM 357 CA LEU A 25 -2.897 -2.459 -4.712 1.00 0.00 C ATOM 358 C LEU A 25 -1.478 -2.309 -5.253 1.00 0.00 C ATOM 359 O LEU A 25 -1.040 -1.206 -5.576 1.00 0.00 O ATOM 360 CB LEU A 25 -2.874 -2.462 -3.183 1.00 0.00 C ATOM 361 CG LEU A 25 -2.835 -1.090 -2.509 1.00 0.00 C ATOM 362 CD1 LEU A 25 -4.151 -0.357 -2.714 1.00 0.00 C ATOM 363 CD2 LEU A 25 -2.526 -1.232 -1.026 1.00 0.00 C ATOM 0 H LEU A 25 -3.457 -4.475 -4.574 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.490 -1.612 -5.058 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.756 -2.994 -2.827 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.004 -3.031 -2.854 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.041 -0.503 -2.970 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.104 0.617 -2.227 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.330 -0.222 -3.781 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.964 -0.940 -2.281 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.502 -0.245 -0.563 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.297 -1.838 -0.550 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.557 -1.715 -0.901 1.00 0.00 H new ATOM 375 N ASN A 26 -0.766 -3.427 -5.349 1.00 0.00 N ATOM 376 CA ASN A 26 0.603 -3.421 -5.852 1.00 0.00 C ATOM 377 C ASN A 26 0.622 -3.335 -7.376 1.00 0.00 C ATOM 378 O ASN A 26 1.428 -2.608 -7.955 1.00 0.00 O ATOM 379 CB ASN A 26 1.343 -4.678 -5.392 1.00 0.00 C ATOM 380 CG ASN A 26 1.961 -4.514 -4.016 1.00 0.00 C ATOM 381 OD1 ASN A 26 2.719 -3.575 -3.772 1.00 0.00 O ATOM 382 ND2 ASN A 26 1.638 -5.429 -3.110 1.00 0.00 N ATOM 0 H ASN A 26 -1.114 -4.349 -5.085 1.00 0.00 H new ATOM 0 HA ASN A 26 1.108 -2.543 -5.450 1.00 0.00 H new ATOM 0 HB2 ASN A 26 0.650 -5.520 -5.378 1.00 0.00 H new ATOM 0 HB3 ASN A 26 2.125 -4.920 -6.112 1.00 0.00 H new ATOM 0 HD21 ASN A 26 2.022 -5.371 -2.167 1.00 0.00 H new ATOM 0 HD22 ASN A 26 1.006 -6.190 -3.357 1.00 0.00 H new ATOM 389 N GLN A 27 -0.272 -4.082 -8.016 1.00 0.00 N ATOM 390 CA GLN A 27 -0.357 -4.090 -9.472 1.00 0.00 C ATOM 391 C GLN A 27 -0.314 -2.670 -10.027 1.00 0.00 C ATOM 392 O GLN A 27 0.261 -2.425 -11.088 1.00 0.00 O ATOM 393 CB GLN A 27 -1.639 -4.789 -9.925 1.00 0.00 C ATOM 394 CG GLN A 27 -2.908 -4.067 -9.502 1.00 0.00 C ATOM 395 CD GLN A 27 -4.158 -4.689 -10.092 1.00 0.00 C ATOM 396 OE1 GLN A 27 -4.220 -6.015 -10.085 1.00 0.00 O flip ATOM 397 NE2 GLN A 27 -5.059 -3.985 -10.551 1.00 0.00 N flip ATOM 0 H GLN A 27 -0.947 -4.689 -7.550 1.00 0.00 H new ATOM 0 HA GLN A 27 0.503 -4.638 -9.858 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -1.628 -4.881 -11.011 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -1.654 -5.801 -9.519 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -2.981 -4.076 -8.414 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -2.847 -3.023 -9.809 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -4.970 -2.969 -10.536 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -5.894 -4.418 -10.946 1.00 0.00 H new ATOM 406 N ILE A 28 -0.927 -1.738 -9.304 1.00 0.00 N ATOM 407 CA ILE A 28 -0.958 -0.343 -9.725 1.00 0.00 C ATOM 408 C ILE A 28 0.191 0.444 -9.104 1.00 0.00 C ATOM 409 O ILE A 28 0.791 1.302 -9.752 1.00 0.00 O ATOM 410 CB ILE A 28 -2.290 0.330 -9.346 1.00 0.00 C ATOM 411 CG1 ILE A 28 -2.666 -0.010 -7.903 1.00 0.00 C ATOM 412 CG2 ILE A 28 -3.392 -0.104 -10.302 1.00 0.00 C ATOM 413 CD1 ILE A 28 -3.771 0.859 -7.345 1.00 0.00 C ATOM 0 H ILE A 28 -1.409 -1.924 -8.424 1.00 0.00 H new ATOM 0 HA ILE A 28 -0.854 -0.338 -10.810 1.00 0.00 H new ATOM 0 HB ILE A 28 -2.170 1.410 -9.425 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.976 -1.054 -7.853 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.782 0.091 -7.273 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.328 0.380 -10.022 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.125 0.183 -11.319 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.513 -1.186 -10.250 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.985 0.561 -6.319 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -3.457 1.903 -7.362 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -4.669 0.740 -7.952 1.00 0.00 H new ATOM 425 N ARG A 29 0.493 0.145 -7.845 1.00 0.00 N ATOM 426 CA ARG A 29 1.571 0.824 -7.135 1.00 0.00 C ATOM 427 C ARG A 29 2.579 -0.181 -6.587 1.00 0.00 C ATOM 428 O ARG A 29 2.475 -0.647 -5.452 1.00 0.00 O ATOM 429 CB ARG A 29 1.005 1.669 -5.993 1.00 0.00 C ATOM 430 CG ARG A 29 -0.257 2.430 -6.365 1.00 0.00 C ATOM 431 CD ARG A 29 0.068 3.782 -6.980 1.00 0.00 C ATOM 432 NE ARG A 29 0.677 3.651 -8.301 1.00 0.00 N ATOM 433 CZ ARG A 29 1.103 4.683 -9.020 1.00 0.00 C ATOM 434 NH1 ARG A 29 0.987 5.917 -8.548 1.00 0.00 N ATOM 435 NH2 ARG A 29 1.647 4.483 -10.213 1.00 0.00 N ATOM 0 H ARG A 29 0.006 -0.563 -7.295 1.00 0.00 H new ATOM 0 HA ARG A 29 2.083 1.477 -7.842 1.00 0.00 H new ATOM 0 HB2 ARG A 29 0.791 1.020 -5.144 1.00 0.00 H new ATOM 0 HB3 ARG A 29 1.765 2.380 -5.667 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -0.844 1.841 -7.069 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -0.873 2.572 -5.477 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -0.844 4.373 -7.059 1.00 0.00 H new ATOM 0 HD3 ARG A 29 0.745 4.326 -6.321 1.00 0.00 H new ATOM 0 HE ARG A 29 0.781 2.715 -8.693 1.00 0.00 H new ATOM 0 HH11 ARG A 29 0.570 6.075 -7.631 1.00 0.00 H new ATOM 0 HH12 ARG A 29 1.315 6.708 -9.102 1.00 0.00 H new ATOM 0 HH21 ARG A 29 1.739 3.535 -10.579 1.00 0.00 H new ATOM 0 HH22 ARG A 29 1.974 5.277 -10.764 1.00 0.00 H new ATOM 449 N PRO A 30 3.580 -0.525 -7.412 1.00 0.00 N ATOM 450 CA PRO A 30 4.627 -1.478 -7.032 1.00 0.00 C ATOM 451 C PRO A 30 5.565 -0.916 -5.969 1.00 0.00 C ATOM 452 O PRO A 30 5.873 0.275 -5.967 1.00 0.00 O ATOM 453 CB PRO A 30 5.383 -1.716 -8.341 1.00 0.00 C ATOM 454 CG PRO A 30 5.146 -0.483 -9.144 1.00 0.00 C ATOM 455 CD PRO A 30 3.767 -0.009 -8.778 1.00 0.00 C ATOM 0 HA PRO A 30 4.212 -2.385 -6.593 1.00 0.00 H new ATOM 0 HB2 PRO A 30 6.447 -1.873 -8.161 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.013 -2.602 -8.857 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.893 0.279 -8.919 1.00 0.00 H new ATOM 0 HG3 PRO A 30 5.216 -0.693 -10.211 1.00 0.00 H new ATOM 0 HD2 PRO A 30 3.694 1.078 -8.810 1.00 0.00 H new ATOM 0 HD3 PRO A 30 3.013 -0.400 -9.462 1.00 0.00 H new ATOM 463 N GLY A 31 6.016 -1.782 -5.066 1.00 0.00 N ATOM 464 CA GLY A 31 6.915 -1.352 -4.011 1.00 0.00 C ATOM 465 C GLY A 31 6.221 -0.492 -2.973 1.00 0.00 C ATOM 466 O GLY A 31 6.553 0.683 -2.807 1.00 0.00 O ATOM 0 H GLY A 31 5.775 -2.773 -5.046 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.345 -2.228 -3.525 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.742 -0.792 -4.448 1.00 0.00 H new ATOM 470 N LEU A 32 5.255 -1.076 -2.274 1.00 0.00 N ATOM 471 CA LEU A 32 4.511 -0.355 -1.247 1.00 0.00 C ATOM 472 C LEU A 32 5.083 -0.635 0.139 1.00 0.00 C ATOM 473 O LEU A 32 5.730 -1.659 0.357 1.00 0.00 O ATOM 474 CB LEU A 32 3.033 -0.747 -1.290 1.00 0.00 C ATOM 475 CG LEU A 32 2.229 -0.206 -2.472 1.00 0.00 C ATOM 476 CD1 LEU A 32 1.061 -1.127 -2.790 1.00 0.00 C ATOM 477 CD2 LEU A 32 1.734 1.204 -2.180 1.00 0.00 C ATOM 0 H LEU A 32 4.968 -2.047 -2.399 1.00 0.00 H new ATOM 0 HA LEU A 32 4.604 0.712 -1.449 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.967 -1.835 -1.299 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.561 -0.406 -0.369 1.00 0.00 H new ATOM 0 HG LEU A 32 2.883 -0.167 -3.343 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.500 -0.725 -3.634 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.438 -2.118 -3.043 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.407 -1.198 -1.921 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.164 1.573 -3.032 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.097 1.190 -1.296 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.587 1.860 -2.003 1.00 0.00 H new ATOM 489 N GLN A 33 4.839 0.280 1.071 1.00 0.00 N ATOM 490 CA GLN A 33 5.329 0.130 2.436 1.00 0.00 C ATOM 491 C GLN A 33 4.225 0.424 3.446 1.00 0.00 C ATOM 492 O GLN A 33 3.840 1.577 3.642 1.00 0.00 O ATOM 493 CB GLN A 33 6.519 1.059 2.678 1.00 0.00 C ATOM 494 CG GLN A 33 6.178 2.534 2.540 1.00 0.00 C ATOM 495 CD GLN A 33 7.404 3.400 2.330 1.00 0.00 C ATOM 496 OE1 GLN A 33 8.473 2.906 1.969 1.00 0.00 O ATOM 497 NE2 GLN A 33 7.256 4.700 2.555 1.00 0.00 N ATOM 0 H GLN A 33 4.305 1.133 0.906 1.00 0.00 H new ATOM 0 HA GLN A 33 5.651 -0.903 2.568 1.00 0.00 H new ATOM 0 HB2 GLN A 33 6.913 0.878 3.678 1.00 0.00 H new ATOM 0 HB3 GLN A 33 7.312 0.811 1.973 1.00 0.00 H new ATOM 0 HG2 GLN A 33 5.495 2.668 1.701 1.00 0.00 H new ATOM 0 HG3 GLN A 33 5.652 2.867 3.435 1.00 0.00 H new ATOM 0 HE21 GLN A 33 6.352 5.066 2.853 1.00 0.00 H new ATOM 0 HE22 GLN A 33 8.046 5.332 2.430 1.00 0.00 H new ATOM 506 N TYR A 34 3.720 -0.626 4.085 1.00 0.00 N ATOM 507 CA TYR A 34 2.658 -0.480 5.073 1.00 0.00 C ATOM 508 C TYR A 34 3.236 -0.356 6.480 1.00 0.00 C ATOM 509 O TYR A 34 3.943 -1.246 6.954 1.00 0.00 O ATOM 510 CB TYR A 34 1.702 -1.672 5.006 1.00 0.00 C ATOM 511 CG TYR A 34 1.170 -1.944 3.617 1.00 0.00 C ATOM 512 CD1 TYR A 34 0.014 -1.323 3.161 1.00 0.00 C ATOM 513 CD2 TYR A 34 1.824 -2.820 2.760 1.00 0.00 C ATOM 514 CE1 TYR A 34 -0.477 -1.569 1.893 1.00 0.00 C ATOM 515 CE2 TYR A 34 1.342 -3.071 1.490 1.00 0.00 C ATOM 516 CZ TYR A 34 0.191 -2.443 1.061 1.00 0.00 C ATOM 517 OH TYR A 34 -0.293 -2.689 -0.203 1.00 0.00 O ATOM 0 H TYR A 34 4.029 -1.587 3.936 1.00 0.00 H new ATOM 0 HA TYR A 34 2.107 0.432 4.844 1.00 0.00 H new ATOM 0 HB2 TYR A 34 2.217 -2.561 5.369 1.00 0.00 H new ATOM 0 HB3 TYR A 34 0.863 -1.493 5.679 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -0.510 -0.636 3.809 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.725 -3.314 3.092 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -1.379 -1.080 1.555 1.00 0.00 H new ATOM 0 HE2 TYR A 34 1.863 -3.755 0.837 1.00 0.00 H new ATOM 0 HH TYR A 34 0.294 -3.327 -0.660 1.00 0.00 H new ATOM 527 N LYS A 35 2.929 0.753 7.143 1.00 0.00 N ATOM 528 CA LYS A 35 3.415 0.995 8.496 1.00 0.00 C ATOM 529 C LYS A 35 2.311 0.756 9.522 1.00 0.00 C ATOM 530 O LYS A 35 1.140 1.036 9.265 1.00 0.00 O ATOM 531 CB LYS A 35 3.941 2.427 8.623 1.00 0.00 C ATOM 532 CG LYS A 35 4.156 2.871 10.059 1.00 0.00 C ATOM 533 CD LYS A 35 3.941 4.367 10.218 1.00 0.00 C ATOM 534 CE LYS A 35 5.246 5.136 10.076 1.00 0.00 C ATOM 535 NZ LYS A 35 6.056 5.090 11.324 1.00 0.00 N ATOM 0 H LYS A 35 2.345 1.499 6.765 1.00 0.00 H new ATOM 0 HA LYS A 35 4.228 0.296 8.693 1.00 0.00 H new ATOM 0 HB2 LYS A 35 4.884 2.508 8.082 1.00 0.00 H new ATOM 0 HB3 LYS A 35 3.238 3.107 8.143 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.471 2.332 10.714 1.00 0.00 H new ATOM 0 HG3 LYS A 35 5.167 2.612 10.373 1.00 0.00 H new ATOM 0 HD2 LYS A 35 3.229 4.715 9.469 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.502 4.571 11.195 1.00 0.00 H new ATOM 0 HE2 LYS A 35 5.825 4.719 9.252 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.030 6.174 9.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.937 5.626 11.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 5.514 5.511 12.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 6.284 4.102 11.554 1.00 0.00 H new ATOM 549 N LEU A 36 2.692 0.237 10.684 1.00 0.00 N ATOM 550 CA LEU A 36 1.735 -0.039 11.749 1.00 0.00 C ATOM 551 C LEU A 36 1.634 1.141 12.710 1.00 0.00 C ATOM 552 O LEU A 36 2.406 1.246 13.665 1.00 0.00 O ATOM 553 CB LEU A 36 2.141 -1.300 12.513 1.00 0.00 C ATOM 554 CG LEU A 36 1.015 -2.040 13.236 1.00 0.00 C ATOM 555 CD1 LEU A 36 0.114 -2.748 12.236 1.00 0.00 C ATOM 556 CD2 LEU A 36 1.585 -3.032 14.239 1.00 0.00 C ATOM 0 H LEU A 36 3.657 -0.001 10.912 1.00 0.00 H new ATOM 0 HA LEU A 36 0.758 -0.197 11.293 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.610 -1.990 11.812 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.899 -1.027 13.247 1.00 0.00 H new ATOM 0 HG LEU A 36 0.417 -1.309 13.780 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.682 -3.269 12.768 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.323 -2.015 11.558 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.700 -3.468 11.664 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.769 -3.549 14.744 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.208 -3.759 13.718 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.187 -2.500 14.975 1.00 0.00 H new ATOM 568 N LEU A 37 0.678 2.027 12.454 1.00 0.00 N ATOM 569 CA LEU A 37 0.475 3.199 13.297 1.00 0.00 C ATOM 570 C LEU A 37 0.650 2.847 14.771 1.00 0.00 C ATOM 571 O LEU A 37 1.395 3.509 15.493 1.00 0.00 O ATOM 572 CB LEU A 37 -0.919 3.785 13.064 1.00 0.00 C ATOM 573 CG LEU A 37 -1.268 4.129 11.616 1.00 0.00 C ATOM 574 CD1 LEU A 37 -2.726 4.550 11.504 1.00 0.00 C ATOM 575 CD2 LEU A 37 -0.353 5.226 11.092 1.00 0.00 C ATOM 0 H LEU A 37 0.031 1.956 11.669 1.00 0.00 H new ATOM 0 HA LEU A 37 1.225 3.943 13.028 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.657 3.074 13.436 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.016 4.689 13.665 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.120 3.238 11.006 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.956 4.791 10.466 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.367 3.734 11.838 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.900 5.427 12.128 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.616 5.457 10.060 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.468 6.120 11.705 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.682 4.888 11.135 1.00 0.00 H new ATOM 587 N SER A 38 -0.039 1.799 15.210 1.00 0.00 N ATOM 588 CA SER A 38 0.039 1.359 16.598 1.00 0.00 C ATOM 589 C SER A 38 -0.733 0.059 16.800 1.00 0.00 C ATOM 590 O SER A 38 -1.558 -0.320 15.969 1.00 0.00 O ATOM 591 CB SER A 38 -0.508 2.441 17.530 1.00 0.00 C ATOM 592 OG SER A 38 -0.211 2.147 18.884 1.00 0.00 O ATOM 0 H SER A 38 -0.658 1.238 14.624 1.00 0.00 H new ATOM 0 HA SER A 38 1.087 1.180 16.838 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.079 3.407 17.262 1.00 0.00 H new ATOM 0 HB3 SER A 38 -1.587 2.525 17.401 1.00 0.00 H new ATOM 0 HG SER A 38 -0.570 2.855 19.459 1.00 0.00 H new ATOM 598 N GLN A 39 -0.459 -0.619 17.910 1.00 0.00 N ATOM 599 CA GLN A 39 -1.127 -1.877 18.222 1.00 0.00 C ATOM 600 C GLN A 39 -1.611 -1.892 19.668 1.00 0.00 C ATOM 601 O GLN A 39 -0.836 -1.657 20.595 1.00 0.00 O ATOM 602 CB GLN A 39 -0.183 -3.055 17.975 1.00 0.00 C ATOM 603 CG GLN A 39 -0.889 -4.400 17.929 1.00 0.00 C ATOM 604 CD GLN A 39 -0.001 -5.541 18.384 1.00 0.00 C ATOM 605 OE1 GLN A 39 0.942 -5.924 17.690 1.00 0.00 O ATOM 606 NE2 GLN A 39 -0.297 -6.092 19.556 1.00 0.00 N ATOM 0 H GLN A 39 0.221 -0.318 18.608 1.00 0.00 H new ATOM 0 HA GLN A 39 -1.993 -1.972 17.567 1.00 0.00 H new ATOM 0 HB2 GLN A 39 0.343 -2.897 17.033 1.00 0.00 H new ATOM 0 HB3 GLN A 39 0.571 -3.077 18.761 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -1.777 -4.362 18.560 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -1.229 -4.593 16.912 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -1.087 -5.743 20.098 1.00 0.00 H new ATOM 0 HE22 GLN A 39 0.266 -6.864 19.913 1.00 0.00 H new ATOM 615 N SER A 40 -2.898 -2.170 19.853 1.00 0.00 N ATOM 616 CA SER A 40 -3.487 -2.212 21.186 1.00 0.00 C ATOM 617 C SER A 40 -4.379 -3.439 21.348 1.00 0.00 C ATOM 618 O SER A 40 -4.750 -4.084 20.368 1.00 0.00 O ATOM 619 CB SER A 40 -4.295 -0.941 21.450 1.00 0.00 C ATOM 620 OG SER A 40 -4.395 -0.678 22.839 1.00 0.00 O ATOM 0 H SER A 40 -3.552 -2.369 19.096 1.00 0.00 H new ATOM 0 HA SER A 40 -2.677 -2.276 21.912 1.00 0.00 H new ATOM 0 HB2 SER A 40 -3.822 -0.096 20.950 1.00 0.00 H new ATOM 0 HB3 SER A 40 -5.293 -1.046 21.024 1.00 0.00 H new ATOM 0 HG SER A 40 -4.915 0.141 22.980 1.00 0.00 H new ATOM 626 N GLY A 41 -4.721 -3.755 22.593 1.00 0.00 N ATOM 627 CA GLY A 41 -5.567 -4.903 22.862 1.00 0.00 C ATOM 628 C GLY A 41 -4.803 -6.054 23.484 1.00 0.00 C ATOM 629 O GLY A 41 -3.625 -5.934 23.822 1.00 0.00 O ATOM 0 H GLY A 41 -4.427 -3.236 23.421 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -6.376 -4.606 23.529 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -6.027 -5.237 21.932 1.00 0.00 H new ATOM 633 N PRO A 42 -5.479 -7.200 23.646 1.00 0.00 N ATOM 634 CA PRO A 42 -4.876 -8.400 24.234 1.00 0.00 C ATOM 635 C PRO A 42 -3.831 -9.031 23.320 1.00 0.00 C ATOM 636 O PRO A 42 -3.620 -8.577 22.195 1.00 0.00 O ATOM 637 CB PRO A 42 -6.067 -9.343 24.417 1.00 0.00 C ATOM 638 CG PRO A 42 -7.059 -8.903 23.396 1.00 0.00 C ATOM 639 CD PRO A 42 -6.886 -7.415 23.266 1.00 0.00 C ATOM 0 HA PRO A 42 -4.346 -8.178 25.160 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -5.776 -10.382 24.264 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -6.477 -9.272 25.424 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -6.885 -9.401 22.442 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -8.074 -9.152 23.705 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -7.084 -7.075 22.250 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -7.567 -6.873 23.922 1.00 0.00 H new ATOM 647 N VAL A 43 -3.179 -10.081 23.810 1.00 0.00 N ATOM 648 CA VAL A 43 -2.157 -10.775 23.037 1.00 0.00 C ATOM 649 C VAL A 43 -2.786 -11.734 22.032 1.00 0.00 C ATOM 650 O VAL A 43 -2.205 -12.023 20.986 1.00 0.00 O ATOM 651 CB VAL A 43 -1.199 -11.562 23.951 1.00 0.00 C ATOM 652 CG1 VAL A 43 -1.911 -12.756 24.569 1.00 0.00 C ATOM 653 CG2 VAL A 43 0.031 -12.007 23.175 1.00 0.00 C ATOM 0 H VAL A 43 -3.341 -10.469 24.739 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.591 -10.012 22.502 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.873 -10.906 24.758 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.219 -13.300 25.211 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -2.758 -12.408 25.161 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.267 -13.416 23.778 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.697 -12.562 23.836 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.273 -12.647 22.346 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.552 -11.132 22.786 1.00 0.00 H new ATOM 663 N HIS A 44 -3.978 -12.226 22.357 1.00 0.00 N ATOM 664 CA HIS A 44 -4.687 -13.152 21.482 1.00 0.00 C ATOM 665 C HIS A 44 -5.605 -12.400 20.523 1.00 0.00 C ATOM 666 O HIS A 44 -5.952 -12.905 19.456 1.00 0.00 O ATOM 667 CB HIS A 44 -5.500 -14.147 22.310 1.00 0.00 C ATOM 668 CG HIS A 44 -6.859 -13.642 22.689 1.00 0.00 C ATOM 669 ND1 HIS A 44 -7.116 -12.993 23.878 1.00 0.00 N ATOM 670 CD2 HIS A 44 -8.038 -13.692 22.027 1.00 0.00 C ATOM 671 CE1 HIS A 44 -8.395 -12.667 23.932 1.00 0.00 C ATOM 672 NE2 HIS A 44 -8.977 -13.080 22.820 1.00 0.00 N ATOM 0 H HIS A 44 -4.472 -11.999 23.220 1.00 0.00 H new ATOM 0 HA HIS A 44 -3.947 -13.697 20.896 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -5.610 -15.073 21.745 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -4.946 -14.391 23.217 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -8.209 -14.132 21.055 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -8.882 -12.151 24.746 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -9.963 -12.963 22.588 1.00 0.00 H new ATOM 681 N ALA A 45 -5.994 -11.190 20.912 1.00 0.00 N ATOM 682 CA ALA A 45 -6.870 -10.368 20.086 1.00 0.00 C ATOM 683 C ALA A 45 -6.289 -8.972 19.890 1.00 0.00 C ATOM 684 O ALA A 45 -6.944 -7.960 20.139 1.00 0.00 O ATOM 685 CB ALA A 45 -8.255 -10.282 20.710 1.00 0.00 C ATOM 0 H ALA A 45 -5.717 -10.758 21.793 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.953 -10.839 19.107 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -8.899 -9.665 20.083 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -8.680 -11.283 20.793 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -8.180 -9.837 21.702 1.00 0.00 H new ATOM 691 N PRO A 46 -5.029 -8.913 19.434 1.00 0.00 N ATOM 692 CA PRO A 46 -4.332 -7.646 19.194 1.00 0.00 C ATOM 693 C PRO A 46 -4.903 -6.887 18.002 1.00 0.00 C ATOM 694 O PRO A 46 -5.396 -7.489 17.048 1.00 0.00 O ATOM 695 CB PRO A 46 -2.892 -8.082 18.911 1.00 0.00 C ATOM 696 CG PRO A 46 -3.011 -9.476 18.400 1.00 0.00 C ATOM 697 CD PRO A 46 -4.188 -10.080 19.116 1.00 0.00 C ATOM 0 HA PRO A 46 -4.427 -6.962 20.037 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -2.418 -7.430 18.177 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -2.282 -8.042 19.813 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -3.164 -9.484 17.321 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -2.101 -10.043 18.597 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -4.716 -10.797 18.487 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -3.881 -10.612 20.017 1.00 0.00 H new ATOM 705 N VAL A 47 -4.833 -5.561 18.062 1.00 0.00 N ATOM 706 CA VAL A 47 -5.342 -4.718 16.986 1.00 0.00 C ATOM 707 C VAL A 47 -4.201 -4.112 16.177 1.00 0.00 C ATOM 708 O VAL A 47 -3.600 -3.116 16.581 1.00 0.00 O ATOM 709 CB VAL A 47 -6.229 -3.584 17.533 1.00 0.00 C ATOM 710 CG1 VAL A 47 -6.814 -2.767 16.392 1.00 0.00 C ATOM 711 CG2 VAL A 47 -7.331 -4.149 18.416 1.00 0.00 C ATOM 0 H VAL A 47 -4.429 -5.047 18.845 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.942 -5.358 16.339 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.611 -2.923 18.141 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -7.438 -1.970 16.797 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -6.006 -2.332 15.805 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -7.418 -3.413 15.755 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -7.948 -3.334 18.794 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -7.949 -4.832 17.834 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.886 -4.686 19.254 1.00 0.00 H new ATOM 721 N PHE A 48 -3.907 -4.718 15.032 1.00 0.00 N ATOM 722 CA PHE A 48 -2.838 -4.238 14.164 1.00 0.00 C ATOM 723 C PHE A 48 -3.344 -3.141 13.233 1.00 0.00 C ATOM 724 O PHE A 48 -4.032 -3.413 12.249 1.00 0.00 O ATOM 725 CB PHE A 48 -2.261 -5.394 13.344 1.00 0.00 C ATOM 726 CG PHE A 48 -1.327 -6.275 14.123 1.00 0.00 C ATOM 727 CD1 PHE A 48 -1.822 -7.276 14.944 1.00 0.00 C ATOM 728 CD2 PHE A 48 0.045 -6.104 14.034 1.00 0.00 C ATOM 729 CE1 PHE A 48 -0.966 -8.088 15.663 1.00 0.00 C ATOM 730 CE2 PHE A 48 0.906 -6.913 14.750 1.00 0.00 C ATOM 731 CZ PHE A 48 0.400 -7.907 15.565 1.00 0.00 C ATOM 0 H PHE A 48 -4.394 -5.543 14.683 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.052 -3.821 14.794 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -3.081 -5.999 12.958 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -1.731 -4.988 12.482 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -2.889 -7.423 15.023 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.446 -5.329 13.397 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -1.364 -8.863 16.301 1.00 0.00 H new ATOM 0 HE2 PHE A 48 1.973 -6.769 14.673 1.00 0.00 H new ATOM 0 HZ PHE A 48 1.071 -8.542 16.125 1.00 0.00 H new ATOM 741 N THR A 49 -2.999 -1.897 13.551 1.00 0.00 N ATOM 742 CA THR A 49 -3.418 -0.757 12.746 1.00 0.00 C ATOM 743 C THR A 49 -2.391 -0.439 11.666 1.00 0.00 C ATOM 744 O THR A 49 -1.319 0.094 11.953 1.00 0.00 O ATOM 745 CB THR A 49 -3.637 0.495 13.615 1.00 0.00 C ATOM 746 OG1 THR A 49 -4.545 0.199 14.682 1.00 0.00 O ATOM 747 CG2 THR A 49 -4.184 1.644 12.782 1.00 0.00 C ATOM 0 H THR A 49 -2.430 -1.654 14.362 1.00 0.00 H new ATOM 0 HA THR A 49 -4.362 -1.033 12.276 1.00 0.00 H new ATOM 0 HB THR A 49 -2.674 0.794 14.030 1.00 0.00 H new ATOM 0 HG1 THR A 49 -4.677 1.000 15.231 1.00 0.00 H new ATOM 0 HG21 THR A 49 -4.330 2.517 13.418 1.00 0.00 H new ATOM 0 HG22 THR A 49 -3.477 1.887 11.989 1.00 0.00 H new ATOM 0 HG23 THR A 49 -5.137 1.352 12.341 1.00 0.00 H new ATOM 755 N MET A 50 -2.724 -0.769 10.422 1.00 0.00 N ATOM 756 CA MET A 50 -1.830 -0.516 9.299 1.00 0.00 C ATOM 757 C MET A 50 -2.196 0.787 8.595 1.00 0.00 C ATOM 758 O MET A 50 -3.278 1.334 8.807 1.00 0.00 O ATOM 759 CB MET A 50 -1.883 -1.679 8.305 1.00 0.00 C ATOM 760 CG MET A 50 -0.863 -2.769 8.591 1.00 0.00 C ATOM 761 SD MET A 50 0.812 -2.293 8.125 1.00 0.00 S ATOM 762 CE MET A 50 1.773 -3.227 9.314 1.00 0.00 C ATOM 0 H MET A 50 -3.607 -1.212 10.167 1.00 0.00 H new ATOM 0 HA MET A 50 -0.816 -0.426 9.688 1.00 0.00 H new ATOM 0 HB2 MET A 50 -2.882 -2.114 8.321 1.00 0.00 H new ATOM 0 HB3 MET A 50 -1.719 -1.294 7.299 1.00 0.00 H new ATOM 0 HG2 MET A 50 -0.885 -3.012 9.653 1.00 0.00 H new ATOM 0 HG3 MET A 50 -1.143 -3.674 8.051 1.00 0.00 H new ATOM 0 HE1 MET A 50 2.253 -2.542 10.012 1.00 0.00 H new ATOM 0 HE2 MET A 50 1.116 -3.903 9.862 1.00 0.00 H new ATOM 0 HE3 MET A 50 2.535 -3.806 8.792 1.00 0.00 H new ATOM 772 N SER A 51 -1.287 1.277 7.758 1.00 0.00 N ATOM 773 CA SER A 51 -1.514 2.518 7.026 1.00 0.00 C ATOM 774 C SER A 51 -0.675 2.559 5.753 1.00 0.00 C ATOM 775 O SER A 51 0.457 2.075 5.725 1.00 0.00 O ATOM 776 CB SER A 51 -1.181 3.723 7.909 1.00 0.00 C ATOM 777 OG SER A 51 0.176 3.696 8.318 1.00 0.00 O ATOM 0 H SER A 51 -0.388 0.834 7.570 1.00 0.00 H new ATOM 0 HA SER A 51 -2.567 2.560 6.748 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.381 4.645 7.363 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.828 3.725 8.786 1.00 0.00 H new ATOM 0 HG SER A 51 0.376 2.830 8.732 1.00 0.00 H new ATOM 783 N VAL A 52 -1.239 3.140 4.699 1.00 0.00 N ATOM 784 CA VAL A 52 -0.544 3.245 3.421 1.00 0.00 C ATOM 785 C VAL A 52 -0.763 4.615 2.788 1.00 0.00 C ATOM 786 O VAL A 52 -1.782 5.264 3.024 1.00 0.00 O ATOM 787 CB VAL A 52 -1.010 2.156 2.437 1.00 0.00 C ATOM 788 CG1 VAL A 52 -2.327 2.552 1.787 1.00 0.00 C ATOM 789 CG2 VAL A 52 0.057 1.898 1.384 1.00 0.00 C ATOM 0 H VAL A 52 -2.175 3.545 4.705 1.00 0.00 H new ATOM 0 HA VAL A 52 0.518 3.108 3.626 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.170 1.232 2.993 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.641 1.771 1.095 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.088 2.682 2.557 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.197 3.488 1.243 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.289 1.126 0.697 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.251 2.816 0.830 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.975 1.567 1.870 1.00 0.00 H new ATOM 799 N ASP A 53 0.200 5.048 1.982 1.00 0.00 N ATOM 800 CA ASP A 53 0.113 6.341 1.312 1.00 0.00 C ATOM 801 C ASP A 53 0.009 6.164 -0.199 1.00 0.00 C ATOM 802 O ASP A 53 0.940 5.679 -0.843 1.00 0.00 O ATOM 803 CB ASP A 53 1.330 7.201 1.656 1.00 0.00 C ATOM 804 CG ASP A 53 2.637 6.459 1.456 1.00 0.00 C ATOM 805 OD1 ASP A 53 3.016 6.226 0.289 1.00 0.00 O ATOM 806 OD2 ASP A 53 3.283 6.113 2.468 1.00 0.00 O ATOM 0 H ASP A 53 1.050 4.523 1.776 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.788 6.845 1.663 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.325 8.097 1.035 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.257 7.531 2.692 1.00 0.00 H new ATOM 811 N VAL A 54 -1.129 6.560 -0.760 1.00 0.00 N ATOM 812 CA VAL A 54 -1.354 6.445 -2.196 1.00 0.00 C ATOM 813 C VAL A 54 -2.007 7.705 -2.752 1.00 0.00 C ATOM 814 O VAL A 54 -2.976 8.215 -2.189 1.00 0.00 O ATOM 815 CB VAL A 54 -2.241 5.230 -2.530 1.00 0.00 C ATOM 816 CG1 VAL A 54 -2.447 5.116 -4.032 1.00 0.00 C ATOM 817 CG2 VAL A 54 -1.631 3.955 -1.968 1.00 0.00 C ATOM 0 H VAL A 54 -1.910 6.963 -0.242 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.377 6.310 -2.660 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.216 5.375 -2.064 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.076 4.252 -4.249 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.931 6.019 -4.402 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.482 4.994 -4.523 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.270 3.107 -2.213 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.643 3.802 -2.402 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.542 4.041 -0.885 1.00 0.00 H new ATOM 827 N ASP A 55 -1.471 8.203 -3.861 1.00 0.00 N ATOM 828 CA ASP A 55 -2.002 9.403 -4.495 1.00 0.00 C ATOM 829 C ASP A 55 -2.275 10.490 -3.460 1.00 0.00 C ATOM 830 O ASP A 55 -3.333 11.118 -3.469 1.00 0.00 O ATOM 831 CB ASP A 55 -3.285 9.076 -5.261 1.00 0.00 C ATOM 832 CG ASP A 55 -3.489 9.978 -6.462 1.00 0.00 C ATOM 833 OD1 ASP A 55 -3.486 11.214 -6.283 1.00 0.00 O ATOM 834 OD2 ASP A 55 -3.651 9.448 -7.581 1.00 0.00 O ATOM 0 H ASP A 55 -0.669 7.793 -4.339 1.00 0.00 H new ATOM 0 HA ASP A 55 -1.254 9.774 -5.196 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.253 8.038 -5.592 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.139 9.170 -4.590 1.00 0.00 H new ATOM 839 N GLY A 56 -1.314 10.704 -2.567 1.00 0.00 N ATOM 840 CA GLY A 56 -1.471 11.714 -1.536 1.00 0.00 C ATOM 841 C GLY A 56 -2.646 11.432 -0.622 1.00 0.00 C ATOM 842 O GLY A 56 -3.238 12.352 -0.056 1.00 0.00 O ATOM 0 H GLY A 56 -0.430 10.196 -2.539 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -0.558 11.768 -0.943 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.605 12.689 -2.004 1.00 0.00 H new ATOM 846 N THR A 57 -2.989 10.155 -0.478 1.00 0.00 N ATOM 847 CA THR A 57 -4.103 9.754 0.372 1.00 0.00 C ATOM 848 C THR A 57 -3.681 8.670 1.357 1.00 0.00 C ATOM 849 O THR A 57 -3.518 7.507 0.985 1.00 0.00 O ATOM 850 CB THR A 57 -5.289 9.238 -0.465 1.00 0.00 C ATOM 851 OG1 THR A 57 -5.455 10.051 -1.632 1.00 0.00 O ATOM 852 CG2 THR A 57 -6.572 9.248 0.353 1.00 0.00 C ATOM 0 H THR A 57 -2.511 9.381 -0.939 1.00 0.00 H new ATOM 0 HA THR A 57 -4.415 10.640 0.924 1.00 0.00 H new ATOM 0 HB THR A 57 -5.075 8.212 -0.765 1.00 0.00 H new ATOM 0 HG1 THR A 57 -4.725 9.873 -2.261 1.00 0.00 H new ATOM 0 HG21 THR A 57 -7.396 8.880 -0.258 1.00 0.00 H new ATOM 0 HG22 THR A 57 -6.452 8.606 1.226 1.00 0.00 H new ATOM 0 HG23 THR A 57 -6.788 10.266 0.678 1.00 0.00 H new ATOM 860 N THR A 58 -3.506 9.057 2.617 1.00 0.00 N ATOM 861 CA THR A 58 -3.103 8.118 3.656 1.00 0.00 C ATOM 862 C THR A 58 -4.302 7.348 4.197 1.00 0.00 C ATOM 863 O THR A 58 -5.231 7.936 4.752 1.00 0.00 O ATOM 864 CB THR A 58 -2.401 8.839 4.822 1.00 0.00 C ATOM 865 OG1 THR A 58 -1.233 9.517 4.348 1.00 0.00 O ATOM 866 CG2 THR A 58 -2.012 7.852 5.913 1.00 0.00 C ATOM 0 H THR A 58 -3.637 10.015 2.942 1.00 0.00 H new ATOM 0 HA THR A 58 -2.404 7.419 3.197 1.00 0.00 H new ATOM 0 HB THR A 58 -3.097 9.566 5.242 1.00 0.00 H new ATOM 0 HG1 THR A 58 -0.794 9.974 5.096 1.00 0.00 H new ATOM 0 HG21 THR A 58 -1.518 8.384 6.726 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.907 7.359 6.293 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.333 7.105 5.502 1.00 0.00 H new ATOM 874 N TYR A 59 -4.276 6.030 4.032 1.00 0.00 N ATOM 875 CA TYR A 59 -5.363 5.180 4.503 1.00 0.00 C ATOM 876 C TYR A 59 -5.003 4.521 5.831 1.00 0.00 C ATOM 877 O TYR A 59 -3.831 4.441 6.199 1.00 0.00 O ATOM 878 CB TYR A 59 -5.687 4.108 3.461 1.00 0.00 C ATOM 879 CG TYR A 59 -6.205 4.669 2.156 1.00 0.00 C ATOM 880 CD1 TYR A 59 -5.341 5.243 1.231 1.00 0.00 C ATOM 881 CD2 TYR A 59 -7.559 4.625 1.847 1.00 0.00 C ATOM 882 CE1 TYR A 59 -5.810 5.757 0.038 1.00 0.00 C ATOM 883 CE2 TYR A 59 -8.037 5.136 0.655 1.00 0.00 C ATOM 884 CZ TYR A 59 -7.158 5.701 -0.245 1.00 0.00 C ATOM 885 OH TYR A 59 -7.629 6.212 -1.433 1.00 0.00 O ATOM 0 H TYR A 59 -3.515 5.527 3.576 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.241 5.807 4.656 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.789 3.522 3.264 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -6.430 3.425 3.873 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -4.284 5.288 1.449 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -8.250 4.184 2.550 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -5.125 6.200 -0.669 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -9.092 5.093 0.430 1.00 0.00 H new ATOM 0 HH TYR A 59 -6.937 6.130 -2.122 1.00 0.00 H new ATOM 895 N GLU A 60 -6.020 4.050 6.545 1.00 0.00 N ATOM 896 CA GLU A 60 -5.812 3.398 7.833 1.00 0.00 C ATOM 897 C GLU A 60 -6.872 2.329 8.080 1.00 0.00 C ATOM 898 O GLU A 60 -8.070 2.609 8.047 1.00 0.00 O ATOM 899 CB GLU A 60 -5.840 4.430 8.962 1.00 0.00 C ATOM 900 CG GLU A 60 -4.784 5.514 8.823 1.00 0.00 C ATOM 901 CD GLU A 60 -5.081 6.731 9.676 1.00 0.00 C ATOM 902 OE1 GLU A 60 -4.895 6.651 10.908 1.00 0.00 O ATOM 903 OE2 GLU A 60 -5.500 7.764 9.112 1.00 0.00 O ATOM 0 H GLU A 60 -6.996 4.107 6.254 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.834 2.917 7.814 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.825 4.896 8.992 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.700 3.918 9.914 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.812 5.107 9.103 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.714 5.816 7.778 1.00 0.00 H new ATOM 910 N ALA A 61 -6.422 1.103 8.326 1.00 0.00 N ATOM 911 CA ALA A 61 -7.331 -0.008 8.580 1.00 0.00 C ATOM 912 C ALA A 61 -6.706 -1.022 9.531 1.00 0.00 C ATOM 913 O ALA A 61 -5.674 -1.619 9.226 1.00 0.00 O ATOM 914 CB ALA A 61 -7.722 -0.679 7.271 1.00 0.00 C ATOM 0 H ALA A 61 -5.433 0.854 8.355 1.00 0.00 H new ATOM 0 HA ALA A 61 -8.228 0.389 9.054 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -8.401 -1.507 7.475 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -8.217 0.045 6.624 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -6.828 -1.057 6.775 1.00 0.00 H new ATOM 920 N SER A 62 -7.338 -1.212 10.685 1.00 0.00 N ATOM 921 CA SER A 62 -6.840 -2.152 11.683 1.00 0.00 C ATOM 922 C SER A 62 -7.642 -3.449 11.655 1.00 0.00 C ATOM 923 O SER A 62 -8.812 -3.461 11.276 1.00 0.00 O ATOM 924 CB SER A 62 -6.906 -1.528 13.079 1.00 0.00 C ATOM 925 OG SER A 62 -8.248 -1.396 13.515 1.00 0.00 O ATOM 0 H SER A 62 -8.195 -0.728 10.952 1.00 0.00 H new ATOM 0 HA SER A 62 -5.802 -2.382 11.444 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.350 -2.146 13.784 1.00 0.00 H new ATOM 0 HB3 SER A 62 -6.426 -0.549 13.067 1.00 0.00 H new ATOM 0 HG SER A 62 -8.263 -0.997 14.410 1.00 0.00 H new ATOM 931 N GLY A 63 -7.002 -4.542 12.060 1.00 0.00 N ATOM 932 CA GLY A 63 -7.670 -5.831 12.074 1.00 0.00 C ATOM 933 C GLY A 63 -7.169 -6.732 13.185 1.00 0.00 C ATOM 934 O GLY A 63 -6.410 -6.312 14.059 1.00 0.00 O ATOM 0 H GLY A 63 -6.033 -4.558 12.379 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -8.743 -5.679 12.190 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -7.520 -6.325 11.114 1.00 0.00 H new ATOM 938 N PRO A 64 -7.598 -8.002 13.160 1.00 0.00 N ATOM 939 CA PRO A 64 -7.201 -8.992 14.167 1.00 0.00 C ATOM 940 C PRO A 64 -5.732 -9.382 14.047 1.00 0.00 C ATOM 941 O PRO A 64 -5.180 -10.037 14.932 1.00 0.00 O ATOM 942 CB PRO A 64 -8.100 -10.191 13.859 1.00 0.00 C ATOM 943 CG PRO A 64 -8.440 -10.050 12.416 1.00 0.00 C ATOM 944 CD PRO A 64 -8.503 -8.572 12.148 1.00 0.00 C ATOM 0 HA PRO A 64 -7.312 -8.609 15.182 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.585 -11.132 14.054 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -8.996 -10.183 14.479 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -7.687 -10.529 11.789 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -9.393 -10.528 12.191 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -8.176 -8.333 11.136 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -9.517 -8.187 12.254 1.00 0.00 H new ATOM 952 N SER A 65 -5.104 -8.977 12.948 1.00 0.00 N ATOM 953 CA SER A 65 -3.699 -9.288 12.712 1.00 0.00 C ATOM 954 C SER A 65 -3.135 -8.430 11.583 1.00 0.00 C ATOM 955 O SER A 65 -3.872 -7.718 10.900 1.00 0.00 O ATOM 956 CB SER A 65 -3.533 -10.770 12.372 1.00 0.00 C ATOM 957 OG SER A 65 -3.838 -11.587 13.490 1.00 0.00 O ATOM 0 H SER A 65 -5.546 -8.433 12.207 1.00 0.00 H new ATOM 0 HA SER A 65 -3.145 -9.067 13.625 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.185 -11.030 11.538 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.510 -10.960 12.047 1.00 0.00 H new ATOM 0 HG SER A 65 -4.092 -11.021 14.249 1.00 0.00 H new ATOM 963 N LYS A 66 -1.822 -8.503 11.393 1.00 0.00 N ATOM 964 CA LYS A 66 -1.156 -7.735 10.347 1.00 0.00 C ATOM 965 C LYS A 66 -1.563 -8.233 8.964 1.00 0.00 C ATOM 966 O LYS A 66 -2.005 -7.455 8.117 1.00 0.00 O ATOM 967 CB LYS A 66 0.363 -7.827 10.507 1.00 0.00 C ATOM 968 CG LYS A 66 1.108 -6.634 9.933 1.00 0.00 C ATOM 969 CD LYS A 66 2.613 -6.803 10.060 1.00 0.00 C ATOM 970 CE LYS A 66 3.082 -6.562 11.486 1.00 0.00 C ATOM 971 NZ LYS A 66 3.425 -5.132 11.723 1.00 0.00 N ATOM 0 H LYS A 66 -1.198 -9.086 11.950 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.463 -6.694 10.444 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.603 -7.920 11.566 1.00 0.00 H new ATOM 0 HB3 LYS A 66 0.717 -8.735 10.019 1.00 0.00 H new ATOM 0 HG2 LYS A 66 0.842 -6.509 8.883 1.00 0.00 H new ATOM 0 HG3 LYS A 66 0.798 -5.727 10.451 1.00 0.00 H new ATOM 0 HD2 LYS A 66 2.895 -7.809 9.748 1.00 0.00 H new ATOM 0 HD3 LYS A 66 3.116 -6.108 9.388 1.00 0.00 H new ATOM 0 HE2 LYS A 66 2.301 -6.868 12.182 1.00 0.00 H new ATOM 0 HE3 LYS A 66 3.954 -7.183 11.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 3.740 -5.009 12.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 4.188 -4.846 11.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 2.587 -4.541 11.552 1.00 0.00 H new ATOM 985 N LYS A 67 -1.413 -9.534 8.740 1.00 0.00 N ATOM 986 CA LYS A 67 -1.768 -10.137 7.461 1.00 0.00 C ATOM 987 C LYS A 67 -3.075 -9.557 6.930 1.00 0.00 C ATOM 988 O LYS A 67 -3.195 -9.258 5.741 1.00 0.00 O ATOM 989 CB LYS A 67 -1.893 -11.655 7.607 1.00 0.00 C ATOM 990 CG LYS A 67 -2.808 -12.084 8.741 1.00 0.00 C ATOM 991 CD LYS A 67 -2.908 -13.597 8.836 1.00 0.00 C ATOM 992 CE LYS A 67 -1.839 -14.170 9.755 1.00 0.00 C ATOM 993 NZ LYS A 67 -2.173 -15.552 10.199 1.00 0.00 N ATOM 0 H LYS A 67 -1.047 -10.192 9.429 1.00 0.00 H new ATOM 0 HA LYS A 67 -0.975 -9.911 6.748 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.267 -12.072 6.672 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -0.902 -12.079 7.771 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -2.433 -11.684 9.683 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -3.801 -11.662 8.588 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -3.895 -13.875 9.206 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -2.806 -14.033 7.842 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -0.880 -14.177 9.237 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -1.726 -13.526 10.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -2.113 -15.608 11.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -3.139 -15.791 9.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -1.501 -16.224 9.777 1.00 0.00 H new ATOM 1007 N THR A 68 -4.052 -9.400 7.817 1.00 0.00 N ATOM 1008 CA THR A 68 -5.349 -8.856 7.438 1.00 0.00 C ATOM 1009 C THR A 68 -5.294 -7.337 7.317 1.00 0.00 C ATOM 1010 O THR A 68 -5.666 -6.773 6.288 1.00 0.00 O ATOM 1011 CB THR A 68 -6.439 -9.240 8.456 1.00 0.00 C ATOM 1012 OG1 THR A 68 -6.412 -10.651 8.694 1.00 0.00 O ATOM 1013 CG2 THR A 68 -7.816 -8.831 7.955 1.00 0.00 C ATOM 0 H THR A 68 -3.969 -9.642 8.804 1.00 0.00 H new ATOM 0 HA THR A 68 -5.601 -9.286 6.469 1.00 0.00 H new ATOM 0 HB THR A 68 -6.237 -8.711 9.388 1.00 0.00 H new ATOM 0 HG1 THR A 68 -7.107 -10.887 9.344 1.00 0.00 H new ATOM 0 HG21 THR A 68 -8.569 -9.113 8.691 1.00 0.00 H new ATOM 0 HG22 THR A 68 -7.842 -7.752 7.803 1.00 0.00 H new ATOM 0 HG23 THR A 68 -8.024 -9.335 7.011 1.00 0.00 H new ATOM 1021 N ALA A 69 -4.827 -6.681 8.374 1.00 0.00 N ATOM 1022 CA ALA A 69 -4.721 -5.227 8.385 1.00 0.00 C ATOM 1023 C ALA A 69 -4.318 -4.696 7.013 1.00 0.00 C ATOM 1024 O ALA A 69 -5.074 -3.965 6.372 1.00 0.00 O ATOM 1025 CB ALA A 69 -3.723 -4.778 9.441 1.00 0.00 C ATOM 0 H ALA A 69 -4.516 -7.133 9.234 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.701 -4.818 8.631 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.654 -3.690 9.438 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.054 -5.118 10.422 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.744 -5.204 9.221 1.00 0.00 H new ATOM 1031 N LYS A 70 -3.123 -5.067 6.569 1.00 0.00 N ATOM 1032 CA LYS A 70 -2.618 -4.629 5.273 1.00 0.00 C ATOM 1033 C LYS A 70 -3.670 -4.824 4.185 1.00 0.00 C ATOM 1034 O LYS A 70 -3.901 -3.935 3.364 1.00 0.00 O ATOM 1035 CB LYS A 70 -1.346 -5.398 4.911 1.00 0.00 C ATOM 1036 CG LYS A 70 -0.071 -4.728 5.394 1.00 0.00 C ATOM 1037 CD LYS A 70 1.042 -5.738 5.613 1.00 0.00 C ATOM 1038 CE LYS A 70 1.614 -6.232 4.293 1.00 0.00 C ATOM 1039 NZ LYS A 70 2.989 -6.782 4.455 1.00 0.00 N ATOM 0 H LYS A 70 -2.485 -5.671 7.088 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.385 -3.566 5.343 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -1.404 -6.400 5.337 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.298 -5.514 3.828 1.00 0.00 H new ATOM 0 HG2 LYS A 70 0.250 -3.985 4.664 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -0.269 -4.196 6.325 1.00 0.00 H new ATOM 0 HD2 LYS A 70 1.835 -5.284 6.207 1.00 0.00 H new ATOM 0 HD3 LYS A 70 0.660 -6.584 6.185 1.00 0.00 H new ATOM 0 HE2 LYS A 70 0.962 -7.001 3.880 1.00 0.00 H new ATOM 0 HE3 LYS A 70 1.633 -5.411 3.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 3.343 -7.108 3.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 3.618 -6.041 4.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 2.967 -7.582 5.120 1.00 0.00 H new ATOM 1053 N LEU A 71 -4.304 -5.991 4.185 1.00 0.00 N ATOM 1054 CA LEU A 71 -5.333 -6.302 3.199 1.00 0.00 C ATOM 1055 C LEU A 71 -6.516 -5.349 3.327 1.00 0.00 C ATOM 1056 O LEU A 71 -7.100 -4.928 2.327 1.00 0.00 O ATOM 1057 CB LEU A 71 -5.807 -7.747 3.366 1.00 0.00 C ATOM 1058 CG LEU A 71 -7.015 -8.159 2.524 1.00 0.00 C ATOM 1059 CD1 LEU A 71 -6.571 -8.626 1.146 1.00 0.00 C ATOM 1060 CD2 LEU A 71 -7.810 -9.248 3.228 1.00 0.00 C ATOM 0 H LEU A 71 -4.124 -6.737 4.856 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.899 -6.181 2.207 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.977 -8.411 3.124 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -6.049 -7.910 4.416 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.660 -7.289 2.400 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.444 -8.915 0.561 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -6.046 -7.816 0.639 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.904 -9.482 1.249 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.666 -9.528 2.614 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.174 -10.119 3.384 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.161 -8.878 4.191 1.00 0.00 H new ATOM 1072 N HIS A 72 -6.865 -5.010 4.564 1.00 0.00 N ATOM 1073 CA HIS A 72 -7.978 -4.103 4.823 1.00 0.00 C ATOM 1074 C HIS A 72 -7.717 -2.732 4.205 1.00 0.00 C ATOM 1075 O HIS A 72 -8.478 -2.267 3.357 1.00 0.00 O ATOM 1076 CB HIS A 72 -8.208 -3.961 6.328 1.00 0.00 C ATOM 1077 CG HIS A 72 -9.110 -5.012 6.897 1.00 0.00 C ATOM 1078 ND1 HIS A 72 -9.968 -4.777 7.951 1.00 0.00 N ATOM 1079 CD2 HIS A 72 -9.286 -6.309 6.553 1.00 0.00 C ATOM 1080 CE1 HIS A 72 -10.632 -5.885 8.231 1.00 0.00 C ATOM 1081 NE2 HIS A 72 -10.236 -6.830 7.397 1.00 0.00 N ATOM 0 H HIS A 72 -6.394 -5.349 5.402 1.00 0.00 H new ATOM 0 HA HIS A 72 -8.872 -4.525 4.364 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -7.247 -4.003 6.840 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -8.635 -2.979 6.531 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -8.774 -6.837 5.762 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -11.372 -5.999 9.009 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -10.580 -7.790 7.382 1.00 0.00 H new ATOM 1090 N VAL A 73 -6.637 -2.090 4.637 1.00 0.00 N ATOM 1091 CA VAL A 73 -6.275 -0.773 4.126 1.00 0.00 C ATOM 1092 C VAL A 73 -6.408 -0.717 2.608 1.00 0.00 C ATOM 1093 O VAL A 73 -7.118 0.131 2.068 1.00 0.00 O ATOM 1094 CB VAL A 73 -4.835 -0.395 4.519 1.00 0.00 C ATOM 1095 CG1 VAL A 73 -4.340 0.772 3.676 1.00 0.00 C ATOM 1096 CG2 VAL A 73 -4.756 -0.063 6.001 1.00 0.00 C ATOM 0 H VAL A 73 -5.997 -2.460 5.340 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.965 -0.059 4.575 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.189 -1.251 4.327 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -3.321 1.025 3.968 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.357 0.493 2.622 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -4.987 1.635 3.833 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.731 0.202 6.260 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -5.415 0.777 6.221 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -5.066 -0.930 6.585 1.00 0.00 H new ATOM 1106 N ALA A 74 -5.721 -1.626 1.926 1.00 0.00 N ATOM 1107 CA ALA A 74 -5.764 -1.682 0.470 1.00 0.00 C ATOM 1108 C ALA A 74 -7.199 -1.608 -0.040 1.00 0.00 C ATOM 1109 O ALA A 74 -7.513 -0.812 -0.925 1.00 0.00 O ATOM 1110 CB ALA A 74 -5.089 -2.951 -0.030 1.00 0.00 C ATOM 0 H ALA A 74 -5.128 -2.334 2.358 1.00 0.00 H new ATOM 0 HA ALA A 74 -5.223 -0.819 0.082 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.129 -2.979 -1.119 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.049 -2.962 0.296 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.605 -3.821 0.375 1.00 0.00 H new ATOM 1116 N VAL A 75 -8.066 -2.442 0.523 1.00 0.00 N ATOM 1117 CA VAL A 75 -9.469 -2.471 0.126 1.00 0.00 C ATOM 1118 C VAL A 75 -10.062 -1.066 0.101 1.00 0.00 C ATOM 1119 O VAL A 75 -10.875 -0.739 -0.763 1.00 0.00 O ATOM 1120 CB VAL A 75 -10.303 -3.352 1.074 1.00 0.00 C ATOM 1121 CG1 VAL A 75 -11.760 -3.376 0.638 1.00 0.00 C ATOM 1122 CG2 VAL A 75 -9.732 -4.761 1.132 1.00 0.00 C ATOM 0 H VAL A 75 -7.822 -3.108 1.256 1.00 0.00 H new ATOM 0 HA VAL A 75 -9.505 -2.896 -0.877 1.00 0.00 H new ATOM 0 HB VAL A 75 -10.256 -2.924 2.075 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -12.334 -4.004 1.320 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -12.161 -2.363 0.653 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -11.831 -3.779 -0.372 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -10.334 -5.370 1.807 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -9.747 -5.201 0.135 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.705 -4.723 1.496 1.00 0.00 H new ATOM 1132 N LYS A 76 -9.649 -0.239 1.056 1.00 0.00 N ATOM 1133 CA LYS A 76 -10.137 1.132 1.144 1.00 0.00 C ATOM 1134 C LYS A 76 -9.602 1.975 -0.009 1.00 0.00 C ATOM 1135 O LYS A 76 -10.329 2.781 -0.591 1.00 0.00 O ATOM 1136 CB LYS A 76 -9.725 1.756 2.479 1.00 0.00 C ATOM 1137 CG LYS A 76 -10.342 1.071 3.687 1.00 0.00 C ATOM 1138 CD LYS A 76 -9.693 1.532 4.981 1.00 0.00 C ATOM 1139 CE LYS A 76 -10.398 2.752 5.554 1.00 0.00 C ATOM 1140 NZ LYS A 76 -9.817 4.022 5.039 1.00 0.00 N ATOM 0 H LYS A 76 -8.977 -0.495 1.780 1.00 0.00 H new ATOM 0 HA LYS A 76 -11.225 1.109 1.080 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -8.639 1.721 2.567 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -10.011 2.808 2.483 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -11.411 1.282 3.720 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -10.233 -0.009 3.589 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.716 0.722 5.710 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -8.644 1.768 4.800 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -11.458 2.710 5.303 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -10.327 2.735 6.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.012 4.791 5.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -8.789 3.913 4.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -10.244 4.251 4.119 1.00 0.00 H new ATOM 1154 N VAL A 77 -8.328 1.783 -0.336 1.00 0.00 N ATOM 1155 CA VAL A 77 -7.697 2.524 -1.422 1.00 0.00 C ATOM 1156 C VAL A 77 -8.400 2.259 -2.749 1.00 0.00 C ATOM 1157 O VAL A 77 -8.895 3.183 -3.397 1.00 0.00 O ATOM 1158 CB VAL A 77 -6.208 2.157 -1.561 1.00 0.00 C ATOM 1159 CG1 VAL A 77 -5.544 3.015 -2.627 1.00 0.00 C ATOM 1160 CG2 VAL A 77 -5.496 2.306 -0.225 1.00 0.00 C ATOM 0 H VAL A 77 -7.712 1.120 0.136 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.781 3.582 -1.174 1.00 0.00 H new ATOM 0 HB VAL A 77 -6.136 1.114 -1.871 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.492 2.742 -2.711 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.039 2.853 -3.585 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.624 4.066 -2.350 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.445 2.043 -0.342 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.576 3.338 0.117 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -5.957 1.644 0.509 1.00 0.00 H new ATOM 1170 N LEU A 78 -8.442 0.993 -3.148 1.00 0.00 N ATOM 1171 CA LEU A 78 -9.085 0.605 -4.399 1.00 0.00 C ATOM 1172 C LEU A 78 -10.504 1.161 -4.476 1.00 0.00 C ATOM 1173 O LEU A 78 -10.896 1.748 -5.484 1.00 0.00 O ATOM 1174 CB LEU A 78 -9.114 -0.918 -4.529 1.00 0.00 C ATOM 1175 CG LEU A 78 -7.778 -1.635 -4.328 1.00 0.00 C ATOM 1176 CD1 LEU A 78 -7.992 -3.135 -4.199 1.00 0.00 C ATOM 1177 CD2 LEU A 78 -6.830 -1.326 -5.477 1.00 0.00 C ATOM 0 H LEU A 78 -8.038 0.217 -2.623 1.00 0.00 H new ATOM 0 HA LEU A 78 -8.505 1.022 -5.222 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -9.827 -1.311 -3.804 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -9.494 -1.171 -5.519 1.00 0.00 H new ATOM 0 HG LEU A 78 -7.327 -1.273 -3.404 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -7.031 -3.629 -4.057 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -8.635 -3.338 -3.343 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -8.464 -3.514 -5.105 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -5.884 -1.844 -5.318 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.274 -1.660 -6.415 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -6.652 -0.252 -5.523 1.00 0.00 H new ATOM 1189 N GLN A 79 -11.266 0.973 -3.404 1.00 0.00 N ATOM 1190 CA GLN A 79 -12.641 1.457 -3.351 1.00 0.00 C ATOM 1191 C GLN A 79 -12.699 2.961 -3.603 1.00 0.00 C ATOM 1192 O GLN A 79 -13.521 3.438 -4.384 1.00 0.00 O ATOM 1193 CB GLN A 79 -13.267 1.131 -1.994 1.00 0.00 C ATOM 1194 CG GLN A 79 -13.497 -0.355 -1.772 1.00 0.00 C ATOM 1195 CD GLN A 79 -13.584 -0.719 -0.302 1.00 0.00 C ATOM 1196 OE1 GLN A 79 -13.037 -0.024 0.554 1.00 0.00 O ATOM 1197 NE2 GLN A 79 -14.273 -1.814 -0.003 1.00 0.00 N ATOM 0 H GLN A 79 -10.956 0.490 -2.561 1.00 0.00 H new ATOM 0 HA GLN A 79 -13.207 0.953 -4.135 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -12.620 1.512 -1.204 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -14.219 1.655 -1.907 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -14.418 -0.655 -2.272 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -12.686 -0.917 -2.234 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -14.710 -2.360 -0.745 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -14.365 -2.109 0.969 1.00 0.00 H new ATOM 1206 N ALA A 80 -11.820 3.701 -2.935 1.00 0.00 N ATOM 1207 CA ALA A 80 -11.771 5.150 -3.088 1.00 0.00 C ATOM 1208 C ALA A 80 -11.403 5.539 -4.516 1.00 0.00 C ATOM 1209 O ALA A 80 -12.020 6.426 -5.105 1.00 0.00 O ATOM 1210 CB ALA A 80 -10.778 5.751 -2.103 1.00 0.00 C ATOM 0 H ALA A 80 -11.133 3.322 -2.283 1.00 0.00 H new ATOM 0 HA ALA A 80 -12.764 5.547 -2.875 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -10.751 6.833 -2.228 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -11.085 5.511 -1.085 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -9.786 5.340 -2.290 1.00 0.00 H new ATOM 1216 N MET A 81 -10.395 4.871 -5.065 1.00 0.00 N ATOM 1217 CA MET A 81 -9.946 5.148 -6.425 1.00 0.00 C ATOM 1218 C MET A 81 -11.021 4.769 -7.440 1.00 0.00 C ATOM 1219 O MET A 81 -11.059 5.305 -8.547 1.00 0.00 O ATOM 1220 CB MET A 81 -8.655 4.384 -6.724 1.00 0.00 C ATOM 1221 CG MET A 81 -7.499 4.764 -5.812 1.00 0.00 C ATOM 1222 SD MET A 81 -5.894 4.582 -6.612 1.00 0.00 S ATOM 1223 CE MET A 81 -5.876 2.821 -6.939 1.00 0.00 C ATOM 0 H MET A 81 -9.873 4.134 -4.590 1.00 0.00 H new ATOM 0 HA MET A 81 -9.754 6.218 -6.507 1.00 0.00 H new ATOM 0 HB2 MET A 81 -8.845 3.315 -6.630 1.00 0.00 H new ATOM 0 HB3 MET A 81 -8.366 4.566 -7.759 1.00 0.00 H new ATOM 0 HG2 MET A 81 -7.623 5.797 -5.486 1.00 0.00 H new ATOM 0 HG3 MET A 81 -7.527 4.142 -4.918 1.00 0.00 H new ATOM 0 HE1 MET A 81 -5.441 2.638 -7.922 1.00 0.00 H new ATOM 0 HE2 MET A 81 -5.280 2.316 -6.179 1.00 0.00 H new ATOM 0 HE3 MET A 81 -6.896 2.436 -6.916 1.00 0.00 H new ATOM 1233 N GLY A 82 -11.893 3.843 -7.054 1.00 0.00 N ATOM 1234 CA GLY A 82 -12.955 3.409 -7.942 1.00 0.00 C ATOM 1235 C GLY A 82 -12.632 2.101 -8.637 1.00 0.00 C ATOM 1236 O GLY A 82 -12.896 1.942 -9.829 1.00 0.00 O ATOM 0 H GLY A 82 -11.883 3.386 -6.142 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -13.877 3.296 -7.372 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -13.136 4.180 -8.691 1.00 0.00 H new ATOM 1240 N TYR A 83 -12.059 1.163 -7.892 1.00 0.00 N ATOM 1241 CA TYR A 83 -11.695 -0.136 -8.445 1.00 0.00 C ATOM 1242 C TYR A 83 -12.582 -1.239 -7.875 1.00 0.00 C ATOM 1243 O TYR A 83 -13.158 -1.111 -6.794 1.00 0.00 O ATOM 1244 CB TYR A 83 -10.226 -0.446 -8.151 1.00 0.00 C ATOM 1245 CG TYR A 83 -9.268 0.161 -9.151 1.00 0.00 C ATOM 1246 CD1 TYR A 83 -8.766 1.445 -8.971 1.00 0.00 C ATOM 1247 CD2 TYR A 83 -8.863 -0.548 -10.275 1.00 0.00 C ATOM 1248 CE1 TYR A 83 -7.891 2.004 -9.882 1.00 0.00 C ATOM 1249 CE2 TYR A 83 -7.987 0.002 -11.190 1.00 0.00 C ATOM 1250 CZ TYR A 83 -7.505 1.279 -10.990 1.00 0.00 C ATOM 1251 OH TYR A 83 -6.632 1.831 -11.899 1.00 0.00 O ATOM 0 H TYR A 83 -11.836 1.278 -6.903 1.00 0.00 H new ATOM 0 HA TYR A 83 -11.843 -0.097 -9.524 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -9.978 -0.080 -7.155 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -10.087 -1.527 -8.137 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -9.065 2.015 -8.104 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -9.240 -1.547 -10.436 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -7.511 3.003 -9.728 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -7.681 -0.564 -12.057 1.00 0.00 H new ATOM 0 HH TYR A 83 -6.462 1.190 -12.620 1.00 0.00 H new ATOM 1261 N PRO A 84 -12.696 -2.349 -8.619 1.00 0.00 N ATOM 1262 CA PRO A 84 -13.510 -3.497 -8.208 1.00 0.00 C ATOM 1263 C PRO A 84 -12.910 -4.238 -7.018 1.00 0.00 C ATOM 1264 O PRO A 84 -11.846 -4.849 -7.126 1.00 0.00 O ATOM 1265 CB PRO A 84 -13.513 -4.392 -9.450 1.00 0.00 C ATOM 1266 CG PRO A 84 -12.263 -4.033 -10.178 1.00 0.00 C ATOM 1267 CD PRO A 84 -12.038 -2.570 -9.918 1.00 0.00 C ATOM 0 HA PRO A 84 -14.505 -3.195 -7.881 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -13.523 -5.447 -9.178 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -14.395 -4.213 -10.065 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -11.421 -4.626 -9.823 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -12.363 -4.229 -11.246 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -10.976 -2.328 -9.877 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -12.476 -1.951 -10.701 1.00 0.00 H new ATOM 1275 N THR A 85 -13.598 -4.180 -5.882 1.00 0.00 N ATOM 1276 CA THR A 85 -13.132 -4.845 -4.672 1.00 0.00 C ATOM 1277 C THR A 85 -14.084 -5.961 -4.257 1.00 0.00 C ATOM 1278 O THR A 85 -13.678 -7.114 -4.114 1.00 0.00 O ATOM 1279 CB THR A 85 -12.987 -3.850 -3.505 1.00 0.00 C ATOM 1280 OG1 THR A 85 -14.208 -3.122 -3.327 1.00 0.00 O ATOM 1281 CG2 THR A 85 -11.845 -2.879 -3.761 1.00 0.00 C ATOM 0 H THR A 85 -14.480 -3.679 -5.775 1.00 0.00 H new ATOM 0 HA THR A 85 -12.155 -5.270 -4.901 1.00 0.00 H new ATOM 0 HB THR A 85 -12.766 -4.415 -2.600 1.00 0.00 H new ATOM 0 HG1 THR A 85 -14.639 -3.406 -2.494 1.00 0.00 H new ATOM 0 HG21 THR A 85 -11.762 -2.186 -2.924 1.00 0.00 H new ATOM 0 HG22 THR A 85 -10.913 -3.434 -3.867 1.00 0.00 H new ATOM 0 HG23 THR A 85 -12.041 -2.320 -4.676 1.00 0.00 H new ATOM 1289 N GLY A 86 -15.352 -5.612 -4.066 1.00 0.00 N ATOM 1290 CA GLY A 86 -16.342 -6.597 -3.670 1.00 0.00 C ATOM 1291 C GLY A 86 -16.453 -6.734 -2.165 1.00 0.00 C ATOM 1292 O GLY A 86 -16.687 -5.751 -1.460 1.00 0.00 O ATOM 0 H GLY A 86 -15.712 -4.664 -4.178 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -17.313 -6.317 -4.079 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -16.081 -7.563 -4.102 1.00 0.00 H new ATOM 1296 N PHE A 87 -16.287 -7.956 -1.669 1.00 0.00 N ATOM 1297 CA PHE A 87 -16.373 -8.218 -0.238 1.00 0.00 C ATOM 1298 C PHE A 87 -17.770 -7.905 0.290 1.00 0.00 C ATOM 1299 O PHE A 87 -17.924 -7.267 1.332 1.00 0.00 O ATOM 1300 CB PHE A 87 -15.333 -7.389 0.518 1.00 0.00 C ATOM 1301 CG PHE A 87 -15.290 -7.679 1.991 1.00 0.00 C ATOM 1302 CD1 PHE A 87 -15.069 -8.967 2.451 1.00 0.00 C ATOM 1303 CD2 PHE A 87 -15.470 -6.663 2.916 1.00 0.00 C ATOM 1304 CE1 PHE A 87 -15.031 -9.237 3.806 1.00 0.00 C ATOM 1305 CE2 PHE A 87 -15.432 -6.926 4.272 1.00 0.00 C ATOM 1306 CZ PHE A 87 -15.211 -8.215 4.718 1.00 0.00 C ATOM 0 H PHE A 87 -16.092 -8.780 -2.238 1.00 0.00 H new ATOM 0 HA PHE A 87 -16.171 -9.277 -0.076 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -14.349 -7.578 0.090 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -15.547 -6.330 0.370 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -14.925 -9.769 1.743 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -15.642 -5.653 2.573 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -14.861 -10.246 4.152 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -15.575 -6.125 4.982 1.00 0.00 H new ATOM 0 HZ PHE A 87 -15.179 -8.423 5.777 1.00 0.00 H new ATOM 1316 N ASP A 88 -18.786 -8.357 -0.437 1.00 0.00 N ATOM 1317 CA ASP A 88 -20.171 -8.126 -0.044 1.00 0.00 C ATOM 1318 C ASP A 88 -21.000 -9.397 -0.203 1.00 0.00 C ATOM 1319 O ASP A 88 -20.961 -10.048 -1.246 1.00 0.00 O ATOM 1320 CB ASP A 88 -20.779 -6.997 -0.878 1.00 0.00 C ATOM 1321 CG ASP A 88 -19.900 -5.763 -0.909 1.00 0.00 C ATOM 1322 OD1 ASP A 88 -19.451 -5.326 0.171 1.00 0.00 O ATOM 1323 OD2 ASP A 88 -19.661 -5.232 -2.015 1.00 0.00 O ATOM 0 H ASP A 88 -18.676 -8.886 -1.302 1.00 0.00 H new ATOM 0 HA ASP A 88 -20.181 -7.836 1.007 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -20.942 -7.349 -1.897 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -21.755 -6.734 -0.471 1.00 0.00 H new ATOM 1328 N ALA A 89 -21.749 -9.743 0.839 1.00 0.00 N ATOM 1329 CA ALA A 89 -22.588 -10.935 0.814 1.00 0.00 C ATOM 1330 C ALA A 89 -23.924 -10.651 0.137 1.00 0.00 C ATOM 1331 O ALA A 89 -24.986 -10.919 0.700 1.00 0.00 O ATOM 1332 CB ALA A 89 -22.810 -11.453 2.227 1.00 0.00 C ATOM 0 H ALA A 89 -21.792 -9.215 1.711 1.00 0.00 H new ATOM 0 HA ALA A 89 -22.072 -11.701 0.235 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -23.438 -12.343 2.194 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -21.850 -11.703 2.678 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -23.302 -10.684 2.823 1.00 0.00 H new ATOM 1338 N ASP A 90 -23.865 -10.108 -1.074 1.00 0.00 N ATOM 1339 CA ASP A 90 -25.071 -9.788 -1.829 1.00 0.00 C ATOM 1340 C ASP A 90 -24.738 -9.506 -3.291 1.00 0.00 C ATOM 1341 O ASP A 90 -24.072 -8.520 -3.607 1.00 0.00 O ATOM 1342 CB ASP A 90 -25.779 -8.581 -1.212 1.00 0.00 C ATOM 1343 CG ASP A 90 -26.796 -7.964 -2.152 1.00 0.00 C ATOM 1344 OD1 ASP A 90 -27.820 -8.621 -2.433 1.00 0.00 O ATOM 1345 OD2 ASP A 90 -26.568 -6.823 -2.606 1.00 0.00 O ATOM 0 H ASP A 90 -22.994 -9.880 -1.554 1.00 0.00 H new ATOM 0 HA ASP A 90 -25.736 -10.650 -1.787 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -26.277 -8.887 -0.292 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -25.038 -7.829 -0.939 1.00 0.00 H new ATOM 1350 N ILE A 91 -25.206 -10.378 -4.178 1.00 0.00 N ATOM 1351 CA ILE A 91 -24.958 -10.222 -5.605 1.00 0.00 C ATOM 1352 C ILE A 91 -25.754 -9.054 -6.177 1.00 0.00 C ATOM 1353 O ILE A 91 -26.958 -8.940 -5.951 1.00 0.00 O ATOM 1354 CB ILE A 91 -25.317 -11.503 -6.382 1.00 0.00 C ATOM 1355 CG1 ILE A 91 -24.488 -12.684 -5.872 1.00 0.00 C ATOM 1356 CG2 ILE A 91 -25.095 -11.298 -7.873 1.00 0.00 C ATOM 1357 CD1 ILE A 91 -25.064 -14.032 -6.246 1.00 0.00 C ATOM 0 H ILE A 91 -25.759 -11.199 -3.933 1.00 0.00 H new ATOM 0 HA ILE A 91 -23.892 -10.023 -5.720 1.00 0.00 H new ATOM 0 HB ILE A 91 -26.371 -11.726 -6.219 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -23.477 -12.607 -6.271 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -24.409 -12.620 -4.787 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -25.353 -12.212 -8.408 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -25.724 -10.481 -8.226 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -24.048 -11.054 -8.055 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -24.425 -14.823 -5.852 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -26.064 -14.130 -5.824 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -25.118 -14.116 -7.331 1.00 0.00 H new ATOM 1369 N SER A 92 -25.073 -8.189 -6.922 1.00 0.00 N ATOM 1370 CA SER A 92 -25.716 -7.028 -7.525 1.00 0.00 C ATOM 1371 C SER A 92 -25.002 -6.618 -8.810 1.00 0.00 C ATOM 1372 O SER A 92 -24.003 -7.222 -9.198 1.00 0.00 O ATOM 1373 CB SER A 92 -25.730 -5.857 -6.541 1.00 0.00 C ATOM 1374 OG SER A 92 -26.474 -6.176 -5.379 1.00 0.00 O ATOM 0 H SER A 92 -24.076 -8.271 -7.122 1.00 0.00 H new ATOM 0 HA SER A 92 -26.743 -7.299 -7.770 1.00 0.00 H new ATOM 0 HB2 SER A 92 -24.708 -5.600 -6.263 1.00 0.00 H new ATOM 0 HB3 SER A 92 -26.160 -4.979 -7.022 1.00 0.00 H new ATOM 0 HG SER A 92 -25.862 -6.310 -4.625 1.00 0.00 H new ATOM 1380 N GLY A 93 -25.524 -5.586 -9.467 1.00 0.00 N ATOM 1381 CA GLY A 93 -24.925 -5.113 -10.701 1.00 0.00 C ATOM 1382 C GLY A 93 -23.777 -4.153 -10.458 1.00 0.00 C ATOM 1383 O GLY A 93 -23.405 -3.873 -9.318 1.00 0.00 O ATOM 0 H GLY A 93 -26.351 -5.070 -9.166 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -24.566 -5.966 -11.277 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -25.686 -4.619 -11.305 1.00 0.00 H new ATOM 1387 N PRO A 94 -23.195 -3.632 -11.548 1.00 0.00 N ATOM 1388 CA PRO A 94 -22.073 -2.691 -11.473 1.00 0.00 C ATOM 1389 C PRO A 94 -22.494 -1.331 -10.928 1.00 0.00 C ATOM 1390 O PRO A 94 -21.653 -0.473 -10.658 1.00 0.00 O ATOM 1391 CB PRO A 94 -21.618 -2.566 -12.929 1.00 0.00 C ATOM 1392 CG PRO A 94 -22.827 -2.898 -13.734 1.00 0.00 C ATOM 1393 CD PRO A 94 -23.587 -3.922 -12.938 1.00 0.00 C ATOM 0 HA PRO A 94 -21.293 -3.039 -10.797 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -21.261 -1.559 -13.147 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -20.797 -3.249 -13.147 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -23.435 -2.010 -13.909 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -22.549 -3.292 -14.712 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -24.663 -3.824 -13.081 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -23.318 -4.938 -13.228 1.00 0.00 H new ATOM 1401 N SER A 95 -23.799 -1.140 -10.768 1.00 0.00 N ATOM 1402 CA SER A 95 -24.331 0.118 -10.257 1.00 0.00 C ATOM 1403 C SER A 95 -23.692 0.475 -8.919 1.00 0.00 C ATOM 1404 O SER A 95 -24.201 0.110 -7.859 1.00 0.00 O ATOM 1405 CB SER A 95 -25.851 0.029 -10.103 1.00 0.00 C ATOM 1406 OG SER A 95 -26.477 -0.210 -11.351 1.00 0.00 O ATOM 0 H SER A 95 -24.508 -1.840 -10.985 1.00 0.00 H new ATOM 0 HA SER A 95 -24.092 0.903 -10.974 1.00 0.00 H new ATOM 0 HB2 SER A 95 -26.103 -0.771 -9.407 1.00 0.00 H new ATOM 0 HB3 SER A 95 -26.231 0.956 -9.674 1.00 0.00 H new ATOM 0 HG SER A 95 -27.447 -0.264 -11.225 1.00 0.00 H new ATOM 1412 N SER A 96 -22.574 1.190 -8.976 1.00 0.00 N ATOM 1413 CA SER A 96 -21.862 1.593 -7.768 1.00 0.00 C ATOM 1414 C SER A 96 -20.773 2.612 -8.094 1.00 0.00 C ATOM 1415 O SER A 96 -20.140 2.545 -9.147 1.00 0.00 O ATOM 1416 CB SER A 96 -21.245 0.373 -7.082 1.00 0.00 C ATOM 1417 OG SER A 96 -20.377 0.762 -6.032 1.00 0.00 O ATOM 0 H SER A 96 -22.141 1.503 -9.845 1.00 0.00 H new ATOM 0 HA SER A 96 -22.580 2.057 -7.091 1.00 0.00 H new ATOM 0 HB2 SER A 96 -22.036 -0.264 -6.687 1.00 0.00 H new ATOM 0 HB3 SER A 96 -20.694 -0.219 -7.813 1.00 0.00 H new ATOM 0 HG SER A 96 -19.997 -0.036 -5.609 1.00 0.00 H new ATOM 1423 N GLY A 97 -20.562 3.555 -7.181 1.00 0.00 N ATOM 1424 CA GLY A 97 -19.550 4.575 -7.389 1.00 0.00 C ATOM 1425 C GLY A 97 -20.131 5.975 -7.399 1.00 0.00 C ATOM 1426 O GLY A 97 -19.741 6.821 -6.595 1.00 0.00 O ATOM 0 H GLY A 97 -21.073 3.631 -6.302 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -18.799 4.502 -6.603 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -19.041 4.390 -8.335 1.00 0.00 H new TER 1430 GLY A 97