USER MOD reduce.3.24.130724 H: found=0, std=0, add=725, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 723 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 64 SER OG : rot 172:sc= 2.4 USER MOD Set 1.2: A 67 SER OG : rot 58:sc= 1.24 USER MOD Single : A 1 MET CE :methyl -179:sc= 0 (180deg=-0.000148) USER MOD Single : A 1 MET N :NH3+ -109:sc= 0.0402 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 2.08 K(o=2.1,f=-0.013) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 1.46 K(o=1.5,f=-0.55) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0.731 K(o=0.73,f=-0.38) USER MOD Single : A 23 MET CE :methyl 177:sc= 0 (180deg=-0.0275) USER MOD Single : A 27 LYS NZ :NH3+ -178:sc= 1.28 (180deg=1.16) USER MOD Single : A 29 LYS NZ :NH3+ 174:sc= 1.22 (180deg=1.11) USER MOD Single : A 35 LYS NZ :NH3+ 167:sc= 2.36 (180deg=1.99) USER MOD Single : A 36 ASN : amide:sc= 1.15 K(o=1.2,f=-1) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 55 SER OG : rot -71:sc= 1.69 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= 1.02 K(o=1,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0367 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0.00673 USER MOD Single : A 83 HIS : no HE2:sc= 1.03 K(o=1.3,f=-5.8!) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.614 -12.817 -0.215 1.00 0.00 N ATOM 2 CA MET A 1 -5.675 -13.085 0.904 1.00 0.00 C ATOM 3 C MET A 1 -6.400 -13.741 2.081 1.00 0.00 C ATOM 4 O MET A 1 -7.599 -13.524 2.295 1.00 0.00 O ATOM 5 CB MET A 1 -4.941 -11.812 1.377 1.00 0.00 C ATOM 6 CG MET A 1 -3.764 -11.430 0.467 1.00 0.00 C ATOM 7 SD MET A 1 -2.426 -12.659 0.368 1.00 0.00 S ATOM 8 CE MET A 1 -1.657 -12.459 2.000 1.00 0.00 C ATOM 0 H1 MET A 1 -6.412 -13.467 -1.001 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.591 -12.961 0.110 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.497 -11.835 -0.538 1.00 0.00 H new ATOM 0 HA MET A 1 -4.922 -13.773 0.519 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.648 -10.984 1.415 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.575 -11.965 2.392 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.146 -11.252 -0.538 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.344 -10.488 0.820 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.806 -13.135 2.086 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.317 -11.430 2.118 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.386 -12.692 2.777 1.00 0.00 H new ATOM 20 N LEU A 2 -5.668 -14.553 2.847 1.00 0.00 N ATOM 21 CA LEU A 2 -6.138 -15.312 4.000 1.00 0.00 C ATOM 22 C LEU A 2 -4.935 -15.512 4.934 1.00 0.00 C ATOM 23 O LEU A 2 -3.785 -15.444 4.483 1.00 0.00 O ATOM 24 CB LEU A 2 -6.688 -16.652 3.465 1.00 0.00 C ATOM 25 CG LEU A 2 -7.275 -17.640 4.492 1.00 0.00 C ATOM 26 CD1 LEU A 2 -8.509 -17.065 5.191 1.00 0.00 C ATOM 27 CD2 LEU A 2 -7.685 -18.927 3.770 1.00 0.00 C ATOM 0 H LEU A 2 -4.676 -14.705 2.666 1.00 0.00 H new ATOM 0 HA LEU A 2 -6.928 -14.809 4.558 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -7.463 -16.429 2.732 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -5.882 -17.158 2.933 1.00 0.00 H new ATOM 0 HG LEU A 2 -6.510 -17.835 5.244 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -8.893 -17.792 5.907 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -8.237 -16.149 5.715 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -9.277 -16.845 4.450 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -8.101 -19.631 4.490 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -8.434 -18.696 3.013 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -6.811 -19.370 3.292 1.00 0.00 H new ATOM 39 N GLN A 3 -5.193 -15.779 6.213 1.00 0.00 N ATOM 40 CA GLN A 3 -4.198 -16.123 7.222 1.00 0.00 C ATOM 41 C GLN A 3 -4.605 -17.470 7.819 1.00 0.00 C ATOM 42 O GLN A 3 -5.781 -17.681 8.127 1.00 0.00 O ATOM 43 CB GLN A 3 -4.158 -15.029 8.309 1.00 0.00 C ATOM 44 CG GLN A 3 -3.209 -15.340 9.477 1.00 0.00 C ATOM 45 CD GLN A 3 -3.315 -14.312 10.608 1.00 0.00 C ATOM 46 OE1 GLN A 3 -3.961 -14.557 11.625 1.00 0.00 O ATOM 47 NE2 GLN A 3 -2.672 -13.168 10.482 1.00 0.00 N ATOM 0 H GLN A 3 -6.141 -15.760 6.588 1.00 0.00 H new ATOM 0 HA GLN A 3 -3.201 -16.192 6.786 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -3.856 -14.087 7.851 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -5.165 -14.885 8.701 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -3.434 -16.332 9.869 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -2.183 -15.367 9.110 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -2.139 -12.973 9.635 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -2.708 -12.478 11.232 1.00 0.00 H new ATOM 56 N TYR A 4 -3.623 -18.344 8.037 1.00 0.00 N ATOM 57 CA TYR A 4 -3.722 -19.525 8.883 1.00 0.00 C ATOM 58 C TYR A 4 -2.853 -19.286 10.119 1.00 0.00 C ATOM 59 O TYR A 4 -1.794 -18.658 10.029 1.00 0.00 O ATOM 60 CB TYR A 4 -3.173 -20.772 8.159 1.00 0.00 C ATOM 61 CG TYR A 4 -4.073 -21.528 7.192 1.00 0.00 C ATOM 62 CD1 TYR A 4 -5.231 -20.956 6.627 1.00 0.00 C ATOM 63 CD2 TYR A 4 -3.731 -22.855 6.863 1.00 0.00 C ATOM 64 CE1 TYR A 4 -6.046 -21.706 5.760 1.00 0.00 C ATOM 65 CE2 TYR A 4 -4.534 -23.604 5.989 1.00 0.00 C ATOM 66 CZ TYR A 4 -5.701 -23.037 5.436 1.00 0.00 C ATOM 67 OH TYR A 4 -6.475 -23.776 4.592 1.00 0.00 O ATOM 0 H TYR A 4 -2.702 -18.242 7.611 1.00 0.00 H new ATOM 0 HA TYR A 4 -4.768 -19.693 9.139 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -2.284 -20.466 7.608 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -2.847 -21.478 8.923 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -5.494 -19.935 6.861 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -2.843 -23.300 7.287 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -6.938 -21.263 5.341 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -4.257 -24.618 5.739 1.00 0.00 H new ATOM 0 HH TYR A 4 -6.083 -24.668 4.484 1.00 0.00 H new ATOM 77 N ARG A 5 -3.235 -19.902 11.235 1.00 0.00 N ATOM 78 CA ARG A 5 -2.328 -20.283 12.316 1.00 0.00 C ATOM 79 C ARG A 5 -2.421 -21.802 12.390 1.00 0.00 C ATOM 80 O ARG A 5 -3.516 -22.342 12.233 1.00 0.00 O ATOM 81 CB ARG A 5 -2.749 -19.618 13.638 1.00 0.00 C ATOM 82 CG ARG A 5 -1.710 -19.786 14.765 1.00 0.00 C ATOM 83 CD ARG A 5 -2.330 -19.377 16.108 1.00 0.00 C ATOM 84 NE ARG A 5 -1.383 -19.484 17.235 1.00 0.00 N ATOM 85 CZ ARG A 5 -1.698 -19.274 18.523 1.00 0.00 C ATOM 86 NH1 ARG A 5 -2.917 -18.855 18.861 1.00 0.00 N ATOM 87 NH2 ARG A 5 -0.797 -19.484 19.477 1.00 0.00 N ATOM 0 H ARG A 5 -4.206 -20.156 11.418 1.00 0.00 H new ATOM 0 HA ARG A 5 -1.304 -19.957 12.136 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -2.917 -18.555 13.464 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -3.699 -20.042 13.963 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -1.373 -20.822 14.810 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -0.832 -19.174 14.557 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -2.690 -18.350 16.039 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -3.198 -20.006 16.308 1.00 0.00 H new ATOM 0 HE ARG A 5 -0.418 -19.736 17.019 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -3.619 -18.692 18.139 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -3.149 -18.698 19.842 1.00 0.00 H new ATOM 0 HH21 ARG A 5 0.139 -19.806 19.232 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -1.042 -19.323 20.454 1.00 0.00 H new ATOM 101 N ILE A 6 -1.307 -22.493 12.608 1.00 0.00 N ATOM 102 CA ILE A 6 -1.254 -23.950 12.662 1.00 0.00 C ATOM 103 C ILE A 6 -0.475 -24.300 13.928 1.00 0.00 C ATOM 104 O ILE A 6 0.488 -23.609 14.268 1.00 0.00 O ATOM 105 CB ILE A 6 -0.606 -24.561 11.388 1.00 0.00 C ATOM 106 CG1 ILE A 6 -0.954 -23.800 10.082 1.00 0.00 C ATOM 107 CG2 ILE A 6 -1.002 -26.047 11.269 1.00 0.00 C ATOM 108 CD1 ILE A 6 -0.277 -24.336 8.814 1.00 0.00 C ATOM 0 H ILE A 6 -0.400 -22.049 12.755 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.258 -24.374 12.693 1.00 0.00 H new ATOM 0 HB ILE A 6 0.473 -24.465 11.508 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -2.034 -23.831 9.939 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -0.679 -22.753 10.206 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.547 -26.474 10.375 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -0.653 -26.588 12.148 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -2.087 -26.130 11.199 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.584 -23.737 7.957 1.00 0.00 H new ATOM 0 HD12 ILE A 6 0.806 -24.278 8.927 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.570 -25.374 8.656 1.00 0.00 H new ATOM 120 N ILE A 7 -0.871 -25.372 14.608 1.00 0.00 N ATOM 121 CA ILE A 7 -0.247 -25.882 15.821 1.00 0.00 C ATOM 122 C ILE A 7 -0.076 -27.385 15.579 1.00 0.00 C ATOM 123 O ILE A 7 -0.991 -28.017 15.046 1.00 0.00 O ATOM 124 CB ILE A 7 -1.140 -25.570 17.050 1.00 0.00 C ATOM 125 CG1 ILE A 7 -1.501 -24.072 17.222 1.00 0.00 C ATOM 126 CG2 ILE A 7 -0.500 -26.110 18.340 1.00 0.00 C ATOM 127 CD1 ILE A 7 -0.324 -23.147 17.552 1.00 0.00 C ATOM 0 H ILE A 7 -1.671 -25.932 14.314 1.00 0.00 H new ATOM 0 HA ILE A 7 0.716 -25.418 16.035 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.082 -26.083 16.855 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.971 -23.721 16.303 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.244 -23.983 18.014 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.143 -25.880 19.189 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.377 -27.190 18.260 1.00 0.00 H new ATOM 0 HG23 ILE A 7 0.474 -25.643 18.486 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.683 -22.123 17.652 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.136 -23.463 18.488 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.413 -23.197 16.751 1.00 0.00 H new ATOM 139 N VAL A 8 1.077 -27.955 15.932 1.00 0.00 N ATOM 140 CA VAL A 8 1.427 -29.337 15.601 1.00 0.00 C ATOM 141 C VAL A 8 2.068 -29.985 16.829 1.00 0.00 C ATOM 142 O VAL A 8 2.794 -29.310 17.562 1.00 0.00 O ATOM 143 CB VAL A 8 2.391 -29.388 14.387 1.00 0.00 C ATOM 144 CG1 VAL A 8 2.257 -30.732 13.660 1.00 0.00 C ATOM 145 CG2 VAL A 8 2.207 -28.262 13.352 1.00 0.00 C ATOM 0 H VAL A 8 1.800 -27.466 16.460 1.00 0.00 H new ATOM 0 HA VAL A 8 0.526 -29.885 15.324 1.00 0.00 H new ATOM 0 HB VAL A 8 3.382 -29.254 14.821 1.00 0.00 H new ATOM 0 HG11 VAL A 8 2.939 -30.755 12.810 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.504 -31.543 14.346 1.00 0.00 H new ATOM 0 HG13 VAL A 8 1.233 -30.854 13.307 1.00 0.00 H new ATOM 0 HG21 VAL A 8 2.928 -28.389 12.544 1.00 0.00 H new ATOM 0 HG22 VAL A 8 1.196 -28.303 12.946 1.00 0.00 H new ATOM 0 HG23 VAL A 8 2.366 -27.297 13.832 1.00 0.00 H new ATOM 155 N ASP A 9 1.852 -31.285 17.037 1.00 0.00 N ATOM 156 CA ASP A 9 2.423 -32.058 18.136 1.00 0.00 C ATOM 157 C ASP A 9 2.832 -33.446 17.636 1.00 0.00 C ATOM 158 O ASP A 9 2.302 -33.930 16.631 1.00 0.00 O ATOM 159 CB ASP A 9 1.401 -32.195 19.272 1.00 0.00 C ATOM 160 CG ASP A 9 1.990 -32.894 20.511 1.00 0.00 C ATOM 161 OD1 ASP A 9 3.187 -32.695 20.818 1.00 0.00 O ATOM 162 OD2 ASP A 9 1.246 -33.627 21.199 1.00 0.00 O ATOM 0 H ASP A 9 1.257 -31.844 16.426 1.00 0.00 H new ATOM 0 HA ASP A 9 3.303 -31.538 18.514 1.00 0.00 H new ATOM 0 HB2 ASP A 9 1.040 -31.206 19.554 1.00 0.00 H new ATOM 0 HB3 ASP A 9 0.539 -32.759 18.915 1.00 0.00 H new ATOM 167 N GLY A 10 3.784 -34.074 18.324 1.00 0.00 N ATOM 168 CA GLY A 10 4.366 -35.360 17.977 1.00 0.00 C ATOM 169 C GLY A 10 5.872 -35.322 18.207 1.00 0.00 C ATOM 170 O GLY A 10 6.376 -34.506 18.986 1.00 0.00 O ATOM 0 H GLY A 10 4.185 -33.679 19.175 1.00 0.00 H new ATOM 0 HA2 GLY A 10 3.916 -36.148 18.581 1.00 0.00 H new ATOM 0 HA3 GLY A 10 4.154 -35.597 16.934 1.00 0.00 H new ATOM 174 N ARG A 11 6.611 -36.174 17.496 1.00 0.00 N ATOM 175 CA ARG A 11 8.050 -36.014 17.322 1.00 0.00 C ATOM 176 C ARG A 11 8.232 -34.908 16.280 1.00 0.00 C ATOM 177 O ARG A 11 8.438 -35.191 15.099 1.00 0.00 O ATOM 178 CB ARG A 11 8.670 -37.369 16.920 1.00 0.00 C ATOM 179 CG ARG A 11 10.201 -37.384 16.760 1.00 0.00 C ATOM 180 CD ARG A 11 11.004 -37.256 18.063 1.00 0.00 C ATOM 181 NE ARG A 11 11.159 -35.858 18.520 1.00 0.00 N ATOM 182 CZ ARG A 11 10.804 -35.360 19.712 1.00 0.00 C ATOM 183 NH1 ARG A 11 10.114 -36.086 20.588 1.00 0.00 N ATOM 184 NH2 ARG A 11 11.141 -34.111 20.008 1.00 0.00 N ATOM 0 H ARG A 11 6.227 -36.993 17.026 1.00 0.00 H new ATOM 0 HA ARG A 11 8.568 -35.720 18.235 1.00 0.00 H new ATOM 0 HB2 ARG A 11 8.395 -38.110 17.670 1.00 0.00 H new ATOM 0 HB3 ARG A 11 8.222 -37.687 15.979 1.00 0.00 H new ATOM 0 HG2 ARG A 11 10.488 -38.313 16.267 1.00 0.00 H new ATOM 0 HG3 ARG A 11 10.487 -36.569 16.096 1.00 0.00 H new ATOM 0 HD2 ARG A 11 10.510 -37.834 18.844 1.00 0.00 H new ATOM 0 HD3 ARG A 11 11.991 -37.695 17.918 1.00 0.00 H new ATOM 0 HE ARG A 11 11.580 -35.205 17.859 1.00 0.00 H new ATOM 0 HH11 ARG A 11 9.845 -37.042 20.358 1.00 0.00 H new ATOM 0 HH12 ARG A 11 9.855 -35.686 21.490 1.00 0.00 H new ATOM 0 HH21 ARG A 11 11.661 -33.549 19.333 1.00 0.00 H new ATOM 0 HH22 ARG A 11 10.880 -33.713 20.910 1.00 0.00 H new ATOM 198 N VAL A 12 8.094 -33.652 16.707 1.00 0.00 N ATOM 199 CA VAL A 12 8.031 -32.487 15.822 1.00 0.00 C ATOM 200 C VAL A 12 9.067 -31.421 16.211 1.00 0.00 C ATOM 201 O VAL A 12 8.979 -30.285 15.755 1.00 0.00 O ATOM 202 CB VAL A 12 6.585 -31.937 15.750 1.00 0.00 C ATOM 203 CG1 VAL A 12 5.615 -32.974 15.165 1.00 0.00 C ATOM 204 CG2 VAL A 12 6.041 -31.457 17.106 1.00 0.00 C ATOM 0 H VAL A 12 8.022 -33.411 17.695 1.00 0.00 H new ATOM 0 HA VAL A 12 8.300 -32.802 14.814 1.00 0.00 H new ATOM 0 HB VAL A 12 6.647 -31.071 15.090 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.610 -32.553 15.130 1.00 0.00 H new ATOM 0 HG12 VAL A 12 5.932 -33.241 14.157 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.613 -33.865 15.793 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.024 -31.085 16.979 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.038 -32.288 17.812 1.00 0.00 H new ATOM 0 HG23 VAL A 12 6.674 -30.657 17.490 1.00 0.00 H new ATOM 214 N GLN A 13 10.051 -31.768 17.046 1.00 0.00 N ATOM 215 CA GLN A 13 11.196 -30.916 17.352 1.00 0.00 C ATOM 216 C GLN A 13 12.438 -31.802 17.361 1.00 0.00 C ATOM 217 O GLN A 13 12.343 -32.982 17.729 1.00 0.00 O ATOM 218 CB GLN A 13 11.039 -30.230 18.721 1.00 0.00 C ATOM 219 CG GLN A 13 9.813 -29.308 18.845 1.00 0.00 C ATOM 220 CD GLN A 13 9.851 -28.423 20.100 1.00 0.00 C ATOM 221 OE1 GLN A 13 10.719 -28.540 20.963 1.00 0.00 O ATOM 222 NE2 GLN A 13 8.918 -27.494 20.234 1.00 0.00 N ATOM 0 H GLN A 13 10.071 -32.663 17.534 1.00 0.00 H new ATOM 0 HA GLN A 13 11.275 -30.129 16.602 1.00 0.00 H new ATOM 0 HB2 GLN A 13 10.977 -30.998 19.492 1.00 0.00 H new ATOM 0 HB3 GLN A 13 11.937 -29.646 18.924 1.00 0.00 H new ATOM 0 HG2 GLN A 13 9.752 -28.673 17.961 1.00 0.00 H new ATOM 0 HG3 GLN A 13 8.909 -29.916 18.863 1.00 0.00 H new ATOM 0 HE21 GLN A 13 8.195 -27.391 19.522 1.00 0.00 H new ATOM 0 HE22 GLN A 13 8.922 -26.881 21.049 1.00 0.00 H new ATOM 231 N GLY A 14 13.592 -31.244 17.015 1.00 0.00 N ATOM 232 CA GLY A 14 14.839 -31.982 16.911 1.00 0.00 C ATOM 233 C GLY A 14 14.856 -32.876 15.669 1.00 0.00 C ATOM 234 O GLY A 14 15.467 -33.947 15.701 1.00 0.00 O ATOM 0 H GLY A 14 13.686 -30.252 16.796 1.00 0.00 H new ATOM 0 HA2 GLY A 14 15.675 -31.283 16.870 1.00 0.00 H new ATOM 0 HA3 GLY A 14 14.978 -32.593 17.803 1.00 0.00 H new ATOM 238 N VAL A 15 14.166 -32.476 14.599 1.00 0.00 N ATOM 239 CA VAL A 15 13.933 -33.269 13.392 1.00 0.00 C ATOM 240 C VAL A 15 14.068 -32.425 12.112 1.00 0.00 C ATOM 241 O VAL A 15 13.948 -32.967 11.010 1.00 0.00 O ATOM 242 CB VAL A 15 12.563 -33.984 13.477 1.00 0.00 C ATOM 243 CG1 VAL A 15 12.562 -35.083 14.547 1.00 0.00 C ATOM 244 CG2 VAL A 15 11.386 -33.035 13.741 1.00 0.00 C ATOM 0 H VAL A 15 13.737 -31.552 14.549 1.00 0.00 H new ATOM 0 HA VAL A 15 14.709 -34.033 13.333 1.00 0.00 H new ATOM 0 HB VAL A 15 12.420 -34.425 12.490 1.00 0.00 H new ATOM 0 HG11 VAL A 15 11.583 -35.561 14.576 1.00 0.00 H new ATOM 0 HG12 VAL A 15 13.322 -35.826 14.306 1.00 0.00 H new ATOM 0 HG13 VAL A 15 12.780 -34.643 15.520 1.00 0.00 H new ATOM 0 HG21 VAL A 15 10.460 -33.608 13.787 1.00 0.00 H new ATOM 0 HG22 VAL A 15 11.541 -32.518 14.688 1.00 0.00 H new ATOM 0 HG23 VAL A 15 11.320 -32.304 12.935 1.00 0.00 H new ATOM 254 N GLY A 16 14.341 -31.126 12.224 1.00 0.00 N ATOM 255 CA GLY A 16 14.447 -30.201 11.114 1.00 0.00 C ATOM 256 C GLY A 16 13.089 -29.581 10.799 1.00 0.00 C ATOM 257 O GLY A 16 12.887 -29.149 9.663 1.00 0.00 O ATOM 0 H GLY A 16 14.499 -30.679 13.127 1.00 0.00 H new ATOM 0 HA2 GLY A 16 15.164 -29.416 11.355 1.00 0.00 H new ATOM 0 HA3 GLY A 16 14.828 -30.721 10.235 1.00 0.00 H new ATOM 261 N PHE A 17 12.139 -29.583 11.740 1.00 0.00 N ATOM 262 CA PHE A 17 10.770 -29.172 11.472 1.00 0.00 C ATOM 263 C PHE A 17 10.726 -27.700 11.062 1.00 0.00 C ATOM 264 O PHE A 17 10.057 -27.369 10.082 1.00 0.00 O ATOM 265 CB PHE A 17 9.854 -29.445 12.676 1.00 0.00 C ATOM 266 CG PHE A 17 8.405 -29.712 12.298 1.00 0.00 C ATOM 267 CD1 PHE A 17 7.567 -28.671 11.858 1.00 0.00 C ATOM 268 CD2 PHE A 17 7.889 -31.020 12.382 1.00 0.00 C ATOM 269 CE1 PHE A 17 6.233 -28.940 11.493 1.00 0.00 C ATOM 270 CE2 PHE A 17 6.563 -31.292 12.007 1.00 0.00 C ATOM 271 CZ PHE A 17 5.734 -30.252 11.556 1.00 0.00 C ATOM 0 H PHE A 17 12.304 -29.870 12.705 1.00 0.00 H new ATOM 0 HA PHE A 17 10.394 -29.769 10.641 1.00 0.00 H new ATOM 0 HB2 PHE A 17 10.240 -30.303 13.227 1.00 0.00 H new ATOM 0 HB3 PHE A 17 9.892 -28.590 13.351 1.00 0.00 H new ATOM 0 HD1 PHE A 17 7.948 -27.662 11.800 1.00 0.00 H new ATOM 0 HD2 PHE A 17 8.519 -31.822 12.738 1.00 0.00 H new ATOM 0 HE1 PHE A 17 5.592 -28.135 11.164 1.00 0.00 H new ATOM 0 HE2 PHE A 17 6.181 -32.301 12.065 1.00 0.00 H new ATOM 0 HZ PHE A 17 4.717 -30.460 11.259 1.00 0.00 H new ATOM 281 N ARG A 18 11.446 -26.806 11.754 1.00 0.00 N ATOM 282 CA ARG A 18 11.421 -25.382 11.411 1.00 0.00 C ATOM 283 C ARG A 18 11.932 -25.167 9.990 1.00 0.00 C ATOM 284 O ARG A 18 11.281 -24.471 9.212 1.00 0.00 O ATOM 285 CB ARG A 18 12.252 -24.580 12.423 1.00 0.00 C ATOM 286 CG ARG A 18 11.536 -24.458 13.778 1.00 0.00 C ATOM 287 CD ARG A 18 12.480 -23.970 14.880 1.00 0.00 C ATOM 288 NE ARG A 18 13.391 -25.034 15.317 1.00 0.00 N ATOM 289 CZ ARG A 18 14.349 -24.926 16.238 1.00 0.00 C ATOM 290 NH1 ARG A 18 14.670 -23.739 16.757 1.00 0.00 N ATOM 291 NH2 ARG A 18 14.970 -26.019 16.645 1.00 0.00 N ATOM 0 H ARG A 18 12.045 -27.042 12.545 1.00 0.00 H new ATOM 0 HA ARG A 18 10.392 -25.026 11.455 1.00 0.00 H new ATOM 0 HB2 ARG A 18 13.219 -25.064 12.565 1.00 0.00 H new ATOM 0 HB3 ARG A 18 12.449 -23.585 12.025 1.00 0.00 H new ATOM 0 HG2 ARG A 18 10.698 -23.767 13.685 1.00 0.00 H new ATOM 0 HG3 ARG A 18 11.121 -25.426 14.058 1.00 0.00 H new ATOM 0 HD2 ARG A 18 13.058 -23.121 14.516 1.00 0.00 H new ATOM 0 HD3 ARG A 18 11.897 -23.617 15.730 1.00 0.00 H new ATOM 0 HE ARG A 18 13.281 -25.945 14.873 1.00 0.00 H new ATOM 0 HH11 ARG A 18 14.180 -22.899 16.450 1.00 0.00 H new ATOM 0 HH12 ARG A 18 15.405 -23.672 17.461 1.00 0.00 H new ATOM 0 HH21 ARG A 18 14.714 -26.926 16.255 1.00 0.00 H new ATOM 0 HH22 ARG A 18 15.705 -25.956 17.349 1.00 0.00 H new ATOM 305 N TYR A 19 13.060 -25.783 9.633 1.00 0.00 N ATOM 306 CA TYR A 19 13.643 -25.649 8.308 1.00 0.00 C ATOM 307 C TYR A 19 12.725 -26.244 7.242 1.00 0.00 C ATOM 308 O TYR A 19 12.527 -25.618 6.202 1.00 0.00 O ATOM 309 CB TYR A 19 15.025 -26.308 8.294 1.00 0.00 C ATOM 310 CG TYR A 19 16.068 -25.507 9.054 1.00 0.00 C ATOM 311 CD1 TYR A 19 16.629 -24.357 8.465 1.00 0.00 C ATOM 312 CD2 TYR A 19 16.452 -25.884 10.356 1.00 0.00 C ATOM 313 CE1 TYR A 19 17.568 -23.585 9.171 1.00 0.00 C ATOM 314 CE2 TYR A 19 17.392 -25.117 11.068 1.00 0.00 C ATOM 315 CZ TYR A 19 17.955 -23.960 10.477 1.00 0.00 C ATOM 316 OH TYR A 19 18.867 -23.204 11.151 1.00 0.00 O ATOM 0 H TYR A 19 13.591 -26.388 10.259 1.00 0.00 H new ATOM 0 HA TYR A 19 13.758 -24.591 8.071 1.00 0.00 H new ATOM 0 HB2 TYR A 19 14.951 -27.305 8.729 1.00 0.00 H new ATOM 0 HB3 TYR A 19 15.352 -26.434 7.262 1.00 0.00 H new ATOM 0 HD1 TYR A 19 16.336 -24.067 7.467 1.00 0.00 H new ATOM 0 HD2 TYR A 19 16.023 -26.765 10.809 1.00 0.00 H new ATOM 0 HE1 TYR A 19 17.994 -22.704 8.714 1.00 0.00 H new ATOM 0 HE2 TYR A 19 17.684 -25.411 12.065 1.00 0.00 H new ATOM 0 HH TYR A 19 19.026 -23.594 12.036 1.00 0.00 H new ATOM 326 N PHE A 20 12.124 -27.409 7.506 1.00 0.00 N ATOM 327 CA PHE A 20 11.158 -28.024 6.606 1.00 0.00 C ATOM 328 C PHE A 20 10.011 -27.054 6.327 1.00 0.00 C ATOM 329 O PHE A 20 9.740 -26.763 5.166 1.00 0.00 O ATOM 330 CB PHE A 20 10.654 -29.351 7.197 1.00 0.00 C ATOM 331 CG PHE A 20 9.453 -29.937 6.477 1.00 0.00 C ATOM 332 CD1 PHE A 20 9.622 -30.626 5.260 1.00 0.00 C ATOM 333 CD2 PHE A 20 8.158 -29.768 7.009 1.00 0.00 C ATOM 334 CE1 PHE A 20 8.504 -31.147 4.584 1.00 0.00 C ATOM 335 CE2 PHE A 20 7.041 -30.280 6.327 1.00 0.00 C ATOM 336 CZ PHE A 20 7.213 -30.974 5.117 1.00 0.00 C ATOM 0 H PHE A 20 12.298 -27.949 8.354 1.00 0.00 H new ATOM 0 HA PHE A 20 11.640 -28.249 5.655 1.00 0.00 H new ATOM 0 HB2 PHE A 20 11.466 -30.077 7.175 1.00 0.00 H new ATOM 0 HB3 PHE A 20 10.395 -29.194 8.244 1.00 0.00 H new ATOM 0 HD1 PHE A 20 10.611 -30.754 4.846 1.00 0.00 H new ATOM 0 HD2 PHE A 20 8.024 -29.243 7.944 1.00 0.00 H new ATOM 0 HE1 PHE A 20 8.636 -31.681 3.654 1.00 0.00 H new ATOM 0 HE2 PHE A 20 6.050 -30.140 6.733 1.00 0.00 H new ATOM 0 HZ PHE A 20 6.355 -31.374 4.597 1.00 0.00 H new ATOM 346 N VAL A 21 9.377 -26.500 7.364 1.00 0.00 N ATOM 347 CA VAL A 21 8.266 -25.570 7.187 1.00 0.00 C ATOM 348 C VAL A 21 8.729 -24.324 6.420 1.00 0.00 C ATOM 349 O VAL A 21 8.003 -23.861 5.542 1.00 0.00 O ATOM 350 CB VAL A 21 7.646 -25.241 8.557 1.00 0.00 C ATOM 351 CG1 VAL A 21 6.548 -24.176 8.472 1.00 0.00 C ATOM 352 CG2 VAL A 21 6.991 -26.486 9.174 1.00 0.00 C ATOM 0 H VAL A 21 9.618 -26.683 8.338 1.00 0.00 H new ATOM 0 HA VAL A 21 7.485 -26.030 6.582 1.00 0.00 H new ATOM 0 HB VAL A 21 8.473 -24.873 9.164 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.148 -23.985 9.468 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.966 -23.255 8.066 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.748 -24.529 7.821 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.560 -26.229 10.141 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.205 -26.850 8.512 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.742 -27.264 9.307 1.00 0.00 H new ATOM 362 N GLN A 22 9.931 -23.805 6.691 1.00 0.00 N ATOM 363 CA GLN A 22 10.477 -22.653 5.980 1.00 0.00 C ATOM 364 C GLN A 22 10.577 -22.961 4.476 1.00 0.00 C ATOM 365 O GLN A 22 10.159 -22.150 3.648 1.00 0.00 O ATOM 366 CB GLN A 22 11.834 -22.277 6.610 1.00 0.00 C ATOM 367 CG GLN A 22 12.260 -20.808 6.455 1.00 0.00 C ATOM 368 CD GLN A 22 12.587 -20.368 5.028 1.00 0.00 C ATOM 369 OE1 GLN A 22 13.128 -21.122 4.224 1.00 0.00 O ATOM 370 NE2 GLN A 22 12.292 -19.121 4.697 1.00 0.00 N ATOM 0 H GLN A 22 10.551 -24.175 7.411 1.00 0.00 H new ATOM 0 HA GLN A 22 9.817 -21.791 6.075 1.00 0.00 H new ATOM 0 HB2 GLN A 22 11.798 -22.515 7.673 1.00 0.00 H new ATOM 0 HB3 GLN A 22 12.605 -22.908 6.168 1.00 0.00 H new ATOM 0 HG2 GLN A 22 11.461 -20.173 6.839 1.00 0.00 H new ATOM 0 HG3 GLN A 22 13.135 -20.633 7.081 1.00 0.00 H new ATOM 0 HE21 GLN A 22 11.843 -18.506 5.375 1.00 0.00 H new ATOM 0 HE22 GLN A 22 12.514 -18.775 3.764 1.00 0.00 H new ATOM 379 N MET A 23 11.073 -24.147 4.113 1.00 0.00 N ATOM 380 CA MET A 23 11.227 -24.543 2.719 1.00 0.00 C ATOM 381 C MET A 23 9.875 -24.869 2.077 1.00 0.00 C ATOM 382 O MET A 23 9.691 -24.578 0.900 1.00 0.00 O ATOM 383 CB MET A 23 12.164 -25.758 2.624 1.00 0.00 C ATOM 384 CG MET A 23 13.609 -25.408 3.005 1.00 0.00 C ATOM 385 SD MET A 23 14.726 -26.830 3.186 1.00 0.00 S ATOM 386 CE MET A 23 14.735 -27.480 1.492 1.00 0.00 C ATOM 0 H MET A 23 11.378 -24.856 4.780 1.00 0.00 H new ATOM 0 HA MET A 23 11.661 -23.705 2.174 1.00 0.00 H new ATOM 0 HB2 MET A 23 11.799 -26.548 3.280 1.00 0.00 H new ATOM 0 HB3 MET A 23 12.143 -26.152 1.608 1.00 0.00 H new ATOM 0 HG2 MET A 23 14.017 -24.740 2.246 1.00 0.00 H new ATOM 0 HG3 MET A 23 13.597 -24.854 3.944 1.00 0.00 H new ATOM 0 HE1 MET A 23 15.420 -28.325 1.430 1.00 0.00 H new ATOM 0 HE2 MET A 23 13.731 -27.806 1.222 1.00 0.00 H new ATOM 0 HE3 MET A 23 15.060 -26.699 0.804 1.00 0.00 H new ATOM 396 N GLU A 24 8.906 -25.429 2.807 1.00 0.00 N ATOM 397 CA GLU A 24 7.566 -25.644 2.280 1.00 0.00 C ATOM 398 C GLU A 24 6.881 -24.299 2.023 1.00 0.00 C ATOM 399 O GLU A 24 6.222 -24.143 0.996 1.00 0.00 O ATOM 400 CB GLU A 24 6.734 -26.517 3.230 1.00 0.00 C ATOM 401 CG GLU A 24 7.170 -27.992 3.268 1.00 0.00 C ATOM 402 CD GLU A 24 7.230 -28.645 1.876 1.00 0.00 C ATOM 403 OE1 GLU A 24 6.172 -28.783 1.223 1.00 0.00 O ATOM 404 OE2 GLU A 24 8.334 -29.012 1.414 1.00 0.00 O ATOM 0 H GLU A 24 9.031 -25.741 3.770 1.00 0.00 H new ATOM 0 HA GLU A 24 7.646 -26.177 1.333 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.798 -26.104 4.237 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.687 -26.466 2.931 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.152 -28.062 3.737 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.477 -28.553 3.895 1.00 0.00 H new ATOM 411 N ALA A 25 7.077 -23.309 2.900 1.00 0.00 N ATOM 412 CA ALA A 25 6.576 -21.961 2.684 1.00 0.00 C ATOM 413 C ALA A 25 7.225 -21.353 1.443 1.00 0.00 C ATOM 414 O ALA A 25 6.520 -20.739 0.645 1.00 0.00 O ATOM 415 CB ALA A 25 6.827 -21.084 3.913 1.00 0.00 C ATOM 0 H ALA A 25 7.587 -23.426 3.776 1.00 0.00 H new ATOM 0 HA ALA A 25 5.499 -22.012 2.524 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.444 -20.080 3.728 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.318 -21.513 4.776 1.00 0.00 H new ATOM 0 HB3 ALA A 25 7.898 -21.033 4.111 1.00 0.00 H new ATOM 421 N ASP A 26 8.531 -21.561 1.234 1.00 0.00 N ATOM 422 CA ASP A 26 9.228 -21.122 0.023 1.00 0.00 C ATOM 423 C ASP A 26 8.623 -21.767 -1.227 1.00 0.00 C ATOM 424 O ASP A 26 8.313 -21.084 -2.201 1.00 0.00 O ATOM 425 CB ASP A 26 10.724 -21.458 0.090 1.00 0.00 C ATOM 426 CG ASP A 26 11.443 -20.909 -1.153 1.00 0.00 C ATOM 427 OD1 ASP A 26 11.393 -19.683 -1.394 1.00 0.00 O ATOM 428 OD2 ASP A 26 12.056 -21.704 -1.899 1.00 0.00 O ATOM 0 H ASP A 26 9.134 -22.040 1.903 1.00 0.00 H new ATOM 0 HA ASP A 26 9.109 -20.040 -0.039 1.00 0.00 H new ATOM 0 HB2 ASP A 26 11.161 -21.030 0.992 1.00 0.00 H new ATOM 0 HB3 ASP A 26 10.860 -22.538 0.152 1.00 0.00 H new ATOM 433 N LYS A 27 8.360 -23.076 -1.168 1.00 0.00 N ATOM 434 CA LYS A 27 7.681 -23.869 -2.198 1.00 0.00 C ATOM 435 C LYS A 27 6.231 -23.418 -2.439 1.00 0.00 C ATOM 436 O LYS A 27 5.601 -23.865 -3.400 1.00 0.00 O ATOM 437 CB LYS A 27 7.888 -25.360 -1.823 1.00 0.00 C ATOM 438 CG LYS A 27 6.936 -26.447 -2.353 1.00 0.00 C ATOM 439 CD LYS A 27 5.680 -26.577 -1.474 1.00 0.00 C ATOM 440 CE LYS A 27 4.794 -27.784 -1.807 1.00 0.00 C ATOM 441 NZ LYS A 27 5.418 -29.070 -1.409 1.00 0.00 N ATOM 0 H LYS A 27 8.628 -23.639 -0.361 1.00 0.00 H new ATOM 0 HA LYS A 27 8.116 -23.710 -3.185 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.894 -25.633 -2.141 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.870 -25.422 -0.735 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.642 -26.208 -3.375 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.458 -27.403 -2.387 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.987 -26.645 -0.430 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.087 -25.668 -1.573 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.834 -27.677 -1.302 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.591 -27.798 -2.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 4.797 -29.857 -1.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.338 -29.171 -1.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.557 -29.084 -0.378 1.00 0.00 H new ATOM 455 N ARG A 28 5.671 -22.521 -1.623 1.00 0.00 N ATOM 456 CA ARG A 28 4.365 -21.899 -1.824 1.00 0.00 C ATOM 457 C ARG A 28 4.473 -20.373 -1.976 1.00 0.00 C ATOM 458 O ARG A 28 3.446 -19.718 -2.144 1.00 0.00 O ATOM 459 CB ARG A 28 3.484 -22.254 -0.615 1.00 0.00 C ATOM 460 CG ARG A 28 3.135 -23.731 -0.368 1.00 0.00 C ATOM 461 CD ARG A 28 2.224 -24.384 -1.413 1.00 0.00 C ATOM 462 NE ARG A 28 2.905 -24.608 -2.699 1.00 0.00 N ATOM 463 CZ ARG A 28 2.396 -25.225 -3.769 1.00 0.00 C ATOM 464 NH1 ARG A 28 1.165 -25.726 -3.746 1.00 0.00 N ATOM 465 NH2 ARG A 28 3.155 -25.329 -4.853 1.00 0.00 N ATOM 0 H ARG A 28 6.134 -22.198 -0.774 1.00 0.00 H new ATOM 0 HA ARG A 28 3.926 -22.275 -2.748 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.981 -21.877 0.279 1.00 0.00 H new ATOM 0 HB3 ARG A 28 2.548 -21.705 -0.715 1.00 0.00 H new ATOM 0 HG2 ARG A 28 4.063 -24.300 -0.316 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.655 -23.813 0.607 1.00 0.00 H new ATOM 0 HD2 ARG A 28 1.861 -25.337 -1.028 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.351 -23.752 -1.574 1.00 0.00 H new ATOM 0 HE ARG A 28 3.859 -24.258 -2.781 1.00 0.00 H new ATOM 0 HH11 ARG A 28 0.596 -25.642 -2.904 1.00 0.00 H new ATOM 0 HH12 ARG A 28 0.790 -26.194 -4.571 1.00 0.00 H new ATOM 0 HH21 ARG A 28 4.099 -24.943 -4.853 1.00 0.00 H new ATOM 0 HH22 ARG A 28 2.794 -25.795 -5.686 1.00 0.00 H new ATOM 479 N LYS A 29 5.684 -19.801 -1.908 1.00 0.00 N ATOM 480 CA LYS A 29 5.954 -18.369 -1.724 1.00 0.00 C ATOM 481 C LYS A 29 4.980 -17.713 -0.730 1.00 0.00 C ATOM 482 O LYS A 29 4.488 -16.606 -0.959 1.00 0.00 O ATOM 483 CB LYS A 29 6.056 -17.655 -3.090 1.00 0.00 C ATOM 484 CG LYS A 29 7.166 -18.205 -4.007 1.00 0.00 C ATOM 485 CD LYS A 29 8.584 -17.981 -3.452 1.00 0.00 C ATOM 486 CE LYS A 29 9.625 -18.625 -4.376 1.00 0.00 C ATOM 487 NZ LYS A 29 11.005 -18.453 -3.861 1.00 0.00 N ATOM 0 H LYS A 29 6.540 -20.350 -1.983 1.00 0.00 H new ATOM 0 HA LYS A 29 6.930 -18.257 -1.252 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.099 -17.740 -3.605 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.233 -16.593 -2.920 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.007 -19.273 -4.157 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.087 -17.730 -4.985 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.781 -16.913 -3.359 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.662 -18.407 -2.452 1.00 0.00 H new ATOM 0 HE2 LYS A 29 9.407 -19.688 -4.483 1.00 0.00 H new ATOM 0 HE3 LYS A 29 9.551 -18.183 -5.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 11.668 -18.988 -4.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 11.259 -17.445 -3.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 11.057 -18.806 -2.884 1.00 0.00 H new ATOM 501 N LEU A 30 4.686 -18.412 0.373 1.00 0.00 N ATOM 502 CA LEU A 30 3.927 -17.868 1.495 1.00 0.00 C ATOM 503 C LEU A 30 4.802 -16.880 2.265 1.00 0.00 C ATOM 504 O LEU A 30 6.027 -16.869 2.118 1.00 0.00 O ATOM 505 CB LEU A 30 3.460 -19.014 2.414 1.00 0.00 C ATOM 506 CG LEU A 30 2.275 -19.812 1.839 1.00 0.00 C ATOM 507 CD1 LEU A 30 2.046 -21.087 2.652 1.00 0.00 C ATOM 508 CD2 LEU A 30 0.978 -19.004 1.801 1.00 0.00 C ATOM 0 H LEU A 30 4.974 -19.381 0.509 1.00 0.00 H new ATOM 0 HA LEU A 30 3.046 -17.344 1.125 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.295 -19.693 2.590 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.176 -18.601 3.382 1.00 0.00 H new ATOM 0 HG LEU A 30 2.542 -20.061 0.812 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.205 -21.640 2.233 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.942 -21.707 2.616 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.828 -20.824 3.687 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.179 -19.618 1.386 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.712 -18.696 2.812 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.118 -18.121 1.177 1.00 0.00 H new ATOM 520 N ALA A 31 4.169 -16.090 3.131 1.00 0.00 N ATOM 521 CA ALA A 31 4.827 -15.220 4.098 1.00 0.00 C ATOM 522 C ALA A 31 4.260 -15.566 5.480 1.00 0.00 C ATOM 523 O ALA A 31 3.139 -16.071 5.551 1.00 0.00 O ATOM 524 CB ALA A 31 4.571 -13.764 3.702 1.00 0.00 C ATOM 0 H ALA A 31 3.151 -16.038 3.178 1.00 0.00 H new ATOM 0 HA ALA A 31 5.908 -15.361 4.121 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.058 -13.101 4.417 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.974 -13.582 2.706 1.00 0.00 H new ATOM 0 HB3 ALA A 31 3.498 -13.571 3.700 1.00 0.00 H new ATOM 530 N GLY A 32 5.012 -15.374 6.566 1.00 0.00 N ATOM 531 CA GLY A 32 4.611 -15.899 7.868 1.00 0.00 C ATOM 532 C GLY A 32 5.783 -16.155 8.814 1.00 0.00 C ATOM 533 O GLY A 32 6.881 -15.624 8.622 1.00 0.00 O ATOM 0 H GLY A 32 5.895 -14.863 6.568 1.00 0.00 H new ATOM 0 HA2 GLY A 32 3.923 -15.195 8.338 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.064 -16.830 7.722 1.00 0.00 H new ATOM 537 N TRP A 33 5.563 -17.008 9.818 1.00 0.00 N ATOM 538 CA TRP A 33 6.602 -17.496 10.705 1.00 0.00 C ATOM 539 C TRP A 33 6.406 -18.970 11.059 1.00 0.00 C ATOM 540 O TRP A 33 5.305 -19.511 10.933 1.00 0.00 O ATOM 541 CB TRP A 33 6.710 -16.616 11.967 1.00 0.00 C ATOM 542 CG TRP A 33 5.572 -16.606 12.965 1.00 0.00 C ATOM 543 CD1 TRP A 33 4.979 -17.683 13.539 1.00 0.00 C ATOM 544 CD2 TRP A 33 4.920 -15.448 13.582 1.00 0.00 C ATOM 545 NE1 TRP A 33 3.987 -17.280 14.406 1.00 0.00 N ATOM 546 CE2 TRP A 33 3.918 -15.908 14.489 1.00 0.00 C ATOM 547 CE3 TRP A 33 5.087 -14.049 13.483 1.00 0.00 C ATOM 548 CZ2 TRP A 33 3.117 -15.035 15.242 1.00 0.00 C ATOM 549 CZ3 TRP A 33 4.287 -13.161 14.228 1.00 0.00 C ATOM 550 CH2 TRP A 33 3.303 -13.650 15.105 1.00 0.00 C ATOM 0 H TRP A 33 4.638 -17.381 10.034 1.00 0.00 H new ATOM 0 HA TRP A 33 7.549 -17.426 10.169 1.00 0.00 H new ATOM 0 HB2 TRP A 33 7.611 -16.919 12.501 1.00 0.00 H new ATOM 0 HB3 TRP A 33 6.865 -15.589 11.637 1.00 0.00 H new ATOM 0 HD1 TRP A 33 5.247 -18.711 13.344 1.00 0.00 H new ATOM 0 HE1 TRP A 33 3.380 -17.918 14.921 1.00 0.00 H new ATOM 0 HE3 TRP A 33 5.844 -13.652 12.822 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 2.368 -15.423 15.917 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 4.431 -12.096 14.125 1.00 0.00 H new ATOM 0 HH2 TRP A 33 2.692 -12.963 15.671 1.00 0.00 H new ATOM 561 N VAL A 34 7.453 -19.585 11.615 1.00 0.00 N ATOM 562 CA VAL A 34 7.400 -20.872 12.306 1.00 0.00 C ATOM 563 C VAL A 34 8.259 -20.773 13.569 1.00 0.00 C ATOM 564 O VAL A 34 9.287 -20.092 13.561 1.00 0.00 O ATOM 565 CB VAL A 34 7.844 -22.013 11.362 1.00 0.00 C ATOM 566 CG1 VAL A 34 9.275 -21.858 10.818 1.00 0.00 C ATOM 567 CG2 VAL A 34 7.720 -23.388 12.041 1.00 0.00 C ATOM 0 H VAL A 34 8.391 -19.186 11.595 1.00 0.00 H new ATOM 0 HA VAL A 34 6.379 -21.111 12.604 1.00 0.00 H new ATOM 0 HB VAL A 34 7.162 -21.946 10.515 1.00 0.00 H new ATOM 0 HG11 VAL A 34 9.509 -22.699 10.165 1.00 0.00 H new ATOM 0 HG12 VAL A 34 9.351 -20.928 10.254 1.00 0.00 H new ATOM 0 HG13 VAL A 34 9.980 -21.837 11.649 1.00 0.00 H new ATOM 0 HG21 VAL A 34 8.041 -24.166 11.348 1.00 0.00 H new ATOM 0 HG22 VAL A 34 8.349 -23.413 12.931 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.682 -23.561 12.326 1.00 0.00 H new ATOM 577 N LYS A 35 7.864 -21.462 14.643 1.00 0.00 N ATOM 578 CA LYS A 35 8.621 -21.533 15.888 1.00 0.00 C ATOM 579 C LYS A 35 8.431 -22.900 16.538 1.00 0.00 C ATOM 580 O LYS A 35 7.374 -23.523 16.394 1.00 0.00 O ATOM 581 CB LYS A 35 8.189 -20.395 16.835 1.00 0.00 C ATOM 582 CG LYS A 35 6.766 -20.577 17.389 1.00 0.00 C ATOM 583 CD LYS A 35 6.240 -19.363 18.159 1.00 0.00 C ATOM 584 CE LYS A 35 5.898 -18.203 17.213 1.00 0.00 C ATOM 585 NZ LYS A 35 5.011 -17.221 17.870 1.00 0.00 N ATOM 0 H LYS A 35 6.994 -21.994 14.668 1.00 0.00 H new ATOM 0 HA LYS A 35 9.682 -21.407 15.673 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.891 -20.336 17.667 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.246 -19.446 16.302 1.00 0.00 H new ATOM 0 HG2 LYS A 35 6.089 -20.791 16.562 1.00 0.00 H new ATOM 0 HG3 LYS A 35 6.751 -21.446 18.046 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.353 -19.646 18.725 1.00 0.00 H new ATOM 0 HD3 LYS A 35 6.988 -19.037 18.881 1.00 0.00 H new ATOM 0 HE2 LYS A 35 6.815 -17.710 16.891 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.414 -18.592 16.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 4.973 -16.352 17.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 4.055 -17.620 17.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.380 -16.999 18.817 1.00 0.00 H new ATOM 599 N ASN A 36 9.430 -23.325 17.307 1.00 0.00 N ATOM 600 CA ASN A 36 9.280 -24.405 18.273 1.00 0.00 C ATOM 601 C ASN A 36 8.728 -23.757 19.536 1.00 0.00 C ATOM 602 O ASN A 36 9.355 -22.838 20.070 1.00 0.00 O ATOM 603 CB ASN A 36 10.647 -25.059 18.561 1.00 0.00 C ATOM 604 CG ASN A 36 11.042 -26.132 17.545 1.00 0.00 C ATOM 605 OD1 ASN A 36 10.365 -26.344 16.544 1.00 0.00 O ATOM 606 ND2 ASN A 36 12.144 -26.818 17.796 1.00 0.00 N ATOM 0 H ASN A 36 10.369 -22.927 17.276 1.00 0.00 H new ATOM 0 HA ASN A 36 8.619 -25.188 17.901 1.00 0.00 H new ATOM 0 HB2 ASN A 36 11.414 -24.285 18.575 1.00 0.00 H new ATOM 0 HB3 ASN A 36 10.624 -25.504 19.556 1.00 0.00 H new ATOM 0 HD21 ASN A 36 12.451 -27.545 17.149 1.00 0.00 H new ATOM 0 HD22 ASN A 36 12.688 -26.620 18.636 1.00 0.00 H new ATOM 613 N ARG A 37 7.564 -24.200 20.013 1.00 0.00 N ATOM 614 CA ARG A 37 7.036 -23.754 21.301 1.00 0.00 C ATOM 615 C ARG A 37 7.823 -24.449 22.407 1.00 0.00 C ATOM 616 O ARG A 37 8.212 -25.610 22.255 1.00 0.00 O ATOM 617 CB ARG A 37 5.536 -24.071 21.414 1.00 0.00 C ATOM 618 CG ARG A 37 4.685 -23.231 20.441 1.00 0.00 C ATOM 619 CD ARG A 37 3.176 -23.470 20.602 1.00 0.00 C ATOM 620 NE ARG A 37 2.740 -23.263 21.986 1.00 0.00 N ATOM 621 CZ ARG A 37 2.256 -22.142 22.527 1.00 0.00 C ATOM 622 NH1 ARG A 37 1.936 -21.075 21.795 1.00 0.00 N ATOM 623 NH2 ARG A 37 2.118 -22.125 23.848 1.00 0.00 N ATOM 0 H ARG A 37 6.968 -24.869 19.525 1.00 0.00 H new ATOM 0 HA ARG A 37 7.146 -22.673 21.393 1.00 0.00 H new ATOM 0 HB2 ARG A 37 5.375 -25.130 21.213 1.00 0.00 H new ATOM 0 HB3 ARG A 37 5.204 -23.886 22.436 1.00 0.00 H new ATOM 0 HG2 ARG A 37 4.899 -22.174 20.600 1.00 0.00 H new ATOM 0 HG3 ARG A 37 4.977 -23.465 19.417 1.00 0.00 H new ATOM 0 HD2 ARG A 37 2.628 -22.796 19.943 1.00 0.00 H new ATOM 0 HD3 ARG A 37 2.933 -24.486 20.292 1.00 0.00 H new ATOM 0 HE ARG A 37 2.815 -24.068 22.608 1.00 0.00 H new ATOM 0 HH11 ARG A 37 2.058 -21.096 20.783 1.00 0.00 H new ATOM 0 HH12 ARG A 37 1.569 -20.238 22.247 1.00 0.00 H new ATOM 0 HH21 ARG A 37 2.377 -22.944 24.398 1.00 0.00 H new ATOM 0 HH22 ARG A 37 1.753 -21.293 24.312 1.00 0.00 H new ATOM 637 N ASP A 38 8.015 -23.774 23.540 1.00 0.00 N ATOM 638 CA ASP A 38 8.730 -24.341 24.687 1.00 0.00 C ATOM 639 C ASP A 38 7.986 -25.544 25.274 1.00 0.00 C ATOM 640 O ASP A 38 8.608 -26.482 25.773 1.00 0.00 O ATOM 641 CB ASP A 38 8.928 -23.270 25.764 1.00 0.00 C ATOM 642 CG ASP A 38 9.630 -23.846 27.006 1.00 0.00 C ATOM 643 OD1 ASP A 38 10.853 -24.108 26.949 1.00 0.00 O ATOM 644 OD2 ASP A 38 8.973 -24.005 28.059 1.00 0.00 O ATOM 0 H ASP A 38 7.681 -22.822 23.690 1.00 0.00 H new ATOM 0 HA ASP A 38 9.703 -24.687 24.337 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.519 -22.449 25.358 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.961 -22.856 26.050 1.00 0.00 H new ATOM 649 N ASP A 39 6.654 -25.546 25.159 1.00 0.00 N ATOM 650 CA ASP A 39 5.788 -26.659 25.551 1.00 0.00 C ATOM 651 C ASP A 39 5.942 -27.903 24.658 1.00 0.00 C ATOM 652 O ASP A 39 5.372 -28.950 24.975 1.00 0.00 O ATOM 653 CB ASP A 39 4.321 -26.208 25.658 1.00 0.00 C ATOM 654 CG ASP A 39 3.660 -25.803 24.338 1.00 0.00 C ATOM 655 OD1 ASP A 39 3.774 -26.508 23.314 1.00 0.00 O ATOM 656 OD2 ASP A 39 2.962 -24.763 24.325 1.00 0.00 O ATOM 0 H ASP A 39 6.137 -24.752 24.781 1.00 0.00 H new ATOM 0 HA ASP A 39 6.121 -26.971 26.541 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.741 -27.018 26.102 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.267 -25.364 26.345 1.00 0.00 H new ATOM 661 N GLY A 40 6.731 -27.828 23.578 1.00 0.00 N ATOM 662 CA GLY A 40 7.120 -28.971 22.758 1.00 0.00 C ATOM 663 C GLY A 40 6.381 -29.035 21.420 1.00 0.00 C ATOM 664 O GLY A 40 6.786 -29.795 20.538 1.00 0.00 O ATOM 0 H GLY A 40 7.123 -26.947 23.247 1.00 0.00 H new ATOM 0 HA2 GLY A 40 8.193 -28.927 22.571 1.00 0.00 H new ATOM 0 HA3 GLY A 40 6.931 -29.889 23.314 1.00 0.00 H new ATOM 668 N ARG A 41 5.313 -28.252 21.240 1.00 0.00 N ATOM 669 CA ARG A 41 4.593 -28.170 19.973 1.00 0.00 C ATOM 670 C ARG A 41 5.395 -27.363 18.956 1.00 0.00 C ATOM 671 O ARG A 41 6.380 -26.701 19.292 1.00 0.00 O ATOM 672 CB ARG A 41 3.206 -27.560 20.228 1.00 0.00 C ATOM 673 CG ARG A 41 2.326 -28.537 21.027 1.00 0.00 C ATOM 674 CD ARG A 41 0.962 -27.941 21.379 1.00 0.00 C ATOM 675 NE ARG A 41 1.084 -26.843 22.351 1.00 0.00 N ATOM 676 CZ ARG A 41 0.066 -26.125 22.843 1.00 0.00 C ATOM 677 NH1 ARG A 41 -1.184 -26.345 22.436 1.00 0.00 N ATOM 678 NH2 ARG A 41 0.306 -25.186 23.747 1.00 0.00 N ATOM 0 H ARG A 41 4.925 -27.657 21.973 1.00 0.00 H new ATOM 0 HA ARG A 41 4.460 -29.166 19.552 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.309 -26.623 20.776 1.00 0.00 H new ATOM 0 HB3 ARG A 41 2.726 -27.323 19.278 1.00 0.00 H new ATOM 0 HG2 ARG A 41 2.182 -29.449 20.447 1.00 0.00 H new ATOM 0 HG3 ARG A 41 2.843 -28.820 21.944 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.480 -27.573 20.473 1.00 0.00 H new ATOM 0 HD3 ARG A 41 0.319 -28.720 21.788 1.00 0.00 H new ATOM 0 HE ARG A 41 2.022 -26.609 22.677 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -1.375 -27.067 21.742 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -1.950 -25.791 22.819 1.00 0.00 H new ATOM 0 HH21 ARG A 41 1.260 -25.014 24.063 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -0.464 -24.635 24.127 1.00 0.00 H new ATOM 692 N VAL A 42 4.950 -27.373 17.710 1.00 0.00 N ATOM 693 CA VAL A 42 5.343 -26.383 16.714 1.00 0.00 C ATOM 694 C VAL A 42 4.162 -25.427 16.591 1.00 0.00 C ATOM 695 O VAL A 42 3.008 -25.836 16.753 1.00 0.00 O ATOM 696 CB VAL A 42 5.700 -27.069 15.378 1.00 0.00 C ATOM 697 CG1 VAL A 42 6.060 -26.077 14.258 1.00 0.00 C ATOM 698 CG2 VAL A 42 6.892 -28.011 15.570 1.00 0.00 C ATOM 0 H VAL A 42 4.300 -28.074 17.356 1.00 0.00 H new ATOM 0 HA VAL A 42 6.240 -25.836 17.004 1.00 0.00 H new ATOM 0 HB VAL A 42 4.804 -27.612 15.076 1.00 0.00 H new ATOM 0 HG11 VAL A 42 6.300 -26.627 13.348 1.00 0.00 H new ATOM 0 HG12 VAL A 42 5.213 -25.417 14.070 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.922 -25.483 14.561 1.00 0.00 H new ATOM 0 HG21 VAL A 42 7.135 -28.489 14.621 1.00 0.00 H new ATOM 0 HG22 VAL A 42 7.753 -27.442 15.920 1.00 0.00 H new ATOM 0 HG23 VAL A 42 6.638 -28.774 16.306 1.00 0.00 H new ATOM 708 N GLU A 43 4.451 -24.169 16.275 1.00 0.00 N ATOM 709 CA GLU A 43 3.459 -23.163 15.948 1.00 0.00 C ATOM 710 C GLU A 43 3.908 -22.491 14.661 1.00 0.00 C ATOM 711 O GLU A 43 5.103 -22.282 14.436 1.00 0.00 O ATOM 712 CB GLU A 43 3.310 -22.196 17.129 1.00 0.00 C ATOM 713 CG GLU A 43 2.547 -20.900 16.821 1.00 0.00 C ATOM 714 CD GLU A 43 2.360 -20.044 18.080 1.00 0.00 C ATOM 715 OE1 GLU A 43 1.732 -20.525 19.052 1.00 0.00 O ATOM 716 OE2 GLU A 43 2.798 -18.872 18.079 1.00 0.00 O ATOM 0 H GLU A 43 5.408 -23.817 16.240 1.00 0.00 H new ATOM 0 HA GLU A 43 2.469 -23.588 15.781 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.800 -22.715 17.940 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.304 -21.936 17.492 1.00 0.00 H new ATOM 0 HG2 GLU A 43 3.089 -20.328 16.068 1.00 0.00 H new ATOM 0 HG3 GLU A 43 1.573 -21.142 16.397 1.00 0.00 H new ATOM 723 N ILE A 44 2.939 -22.172 13.812 1.00 0.00 N ATOM 724 CA ILE A 44 3.135 -21.625 12.488 1.00 0.00 C ATOM 725 C ILE A 44 2.064 -20.550 12.325 1.00 0.00 C ATOM 726 O ILE A 44 0.948 -20.698 12.831 1.00 0.00 O ATOM 727 CB ILE A 44 2.979 -22.728 11.407 1.00 0.00 C ATOM 728 CG1 ILE A 44 3.559 -24.109 11.809 1.00 0.00 C ATOM 729 CG2 ILE A 44 3.620 -22.247 10.096 1.00 0.00 C ATOM 730 CD1 ILE A 44 3.431 -25.206 10.745 1.00 0.00 C ATOM 0 H ILE A 44 1.953 -22.296 14.044 1.00 0.00 H new ATOM 0 HA ILE A 44 4.137 -21.214 12.368 1.00 0.00 H new ATOM 0 HB ILE A 44 1.908 -22.888 11.284 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.614 -23.985 12.055 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.058 -24.445 12.717 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.513 -23.019 9.334 1.00 0.00 H new ATOM 0 HG22 ILE A 44 3.124 -21.336 9.762 1.00 0.00 H new ATOM 0 HG23 ILE A 44 4.678 -22.045 10.261 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.866 -26.132 11.123 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.378 -25.368 10.514 1.00 0.00 H new ATOM 0 HD13 ILE A 44 3.958 -24.900 9.841 1.00 0.00 H new ATOM 742 N LEU A 45 2.373 -19.500 11.577 1.00 0.00 N ATOM 743 CA LEU A 45 1.412 -18.514 11.107 1.00 0.00 C ATOM 744 C LEU A 45 1.805 -18.282 9.658 1.00 0.00 C ATOM 745 O LEU A 45 2.984 -18.064 9.394 1.00 0.00 O ATOM 746 CB LEU A 45 1.504 -17.254 11.987 1.00 0.00 C ATOM 747 CG LEU A 45 0.371 -16.227 11.793 1.00 0.00 C ATOM 748 CD1 LEU A 45 0.471 -15.169 12.898 1.00 0.00 C ATOM 749 CD2 LEU A 45 0.416 -15.506 10.438 1.00 0.00 C ATOM 0 H LEU A 45 3.327 -19.306 11.272 1.00 0.00 H new ATOM 0 HA LEU A 45 0.370 -18.826 11.170 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.517 -17.562 13.032 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.456 -16.761 11.788 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.565 -16.784 11.833 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.325 -14.435 12.773 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.372 -15.649 13.872 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.438 -14.669 12.837 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.412 -14.799 10.374 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.360 -14.969 10.343 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.332 -16.237 9.634 1.00 0.00 H new ATOM 761 N ALA A 46 0.868 -18.380 8.719 1.00 0.00 N ATOM 762 CA ALA A 46 1.152 -18.245 7.298 1.00 0.00 C ATOM 763 C ALA A 46 0.050 -17.421 6.647 1.00 0.00 C ATOM 764 O ALA A 46 -1.103 -17.474 7.077 1.00 0.00 O ATOM 765 CB ALA A 46 1.267 -19.633 6.661 1.00 0.00 C ATOM 0 H ALA A 46 -0.115 -18.556 8.926 1.00 0.00 H new ATOM 0 HA ALA A 46 2.101 -17.730 7.149 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.480 -19.529 5.597 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.074 -20.187 7.140 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.329 -20.172 6.792 1.00 0.00 H new ATOM 771 N GLU A 47 0.403 -16.667 5.611 1.00 0.00 N ATOM 772 CA GLU A 47 -0.438 -15.653 4.995 1.00 0.00 C ATOM 773 C GLU A 47 -0.258 -15.778 3.485 1.00 0.00 C ATOM 774 O GLU A 47 0.879 -15.846 3.002 1.00 0.00 O ATOM 775 CB GLU A 47 -0.041 -14.247 5.495 1.00 0.00 C ATOM 776 CG GLU A 47 0.012 -14.174 7.030 1.00 0.00 C ATOM 777 CD GLU A 47 -0.104 -12.759 7.594 1.00 0.00 C ATOM 778 OE1 GLU A 47 0.813 -11.924 7.418 1.00 0.00 O ATOM 779 OE2 GLU A 47 -1.095 -12.507 8.308 1.00 0.00 O ATOM 0 H GLU A 47 1.316 -16.750 5.163 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.485 -15.797 5.261 1.00 0.00 H new ATOM 0 HB2 GLU A 47 0.933 -13.979 5.086 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.757 -13.514 5.122 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.794 -14.783 7.440 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.949 -14.613 7.371 1.00 0.00 H new ATOM 786 N GLY A 48 -1.366 -15.850 2.742 1.00 0.00 N ATOM 787 CA GLY A 48 -1.340 -16.103 1.307 1.00 0.00 C ATOM 788 C GLY A 48 -2.718 -16.488 0.773 1.00 0.00 C ATOM 789 O GLY A 48 -3.713 -16.305 1.479 1.00 0.00 O ATOM 0 H GLY A 48 -2.305 -15.734 3.123 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.985 -15.213 0.788 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.631 -16.902 1.092 1.00 0.00 H new ATOM 793 N PRO A 49 -2.803 -16.992 -0.470 1.00 0.00 N ATOM 794 CA PRO A 49 -4.042 -17.511 -1.027 1.00 0.00 C ATOM 795 C PRO A 49 -4.400 -18.869 -0.408 1.00 0.00 C ATOM 796 O PRO A 49 -3.537 -19.627 0.053 1.00 0.00 O ATOM 797 CB PRO A 49 -3.797 -17.607 -2.536 1.00 0.00 C ATOM 798 CG PRO A 49 -2.292 -17.846 -2.641 1.00 0.00 C ATOM 799 CD PRO A 49 -1.718 -17.097 -1.436 1.00 0.00 C ATOM 0 HA PRO A 49 -4.893 -16.866 -0.810 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.365 -18.423 -2.983 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -4.095 -16.693 -3.049 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -2.052 -18.909 -2.603 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.891 -17.462 -3.579 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -0.869 -17.634 -1.012 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -1.358 -16.110 -1.726 1.00 0.00 H new ATOM 807 N GLU A 50 -5.695 -19.195 -0.440 1.00 0.00 N ATOM 808 CA GLU A 50 -6.249 -20.373 0.217 1.00 0.00 C ATOM 809 C GLU A 50 -5.601 -21.658 -0.301 1.00 0.00 C ATOM 810 O GLU A 50 -5.216 -22.498 0.504 1.00 0.00 O ATOM 811 CB GLU A 50 -7.775 -20.378 0.031 1.00 0.00 C ATOM 812 CG GLU A 50 -8.468 -21.498 0.821 1.00 0.00 C ATOM 813 CD GLU A 50 -9.995 -21.449 0.637 1.00 0.00 C ATOM 814 OE1 GLU A 50 -10.513 -22.007 -0.357 1.00 0.00 O ATOM 815 OE2 GLU A 50 -10.700 -20.862 1.489 1.00 0.00 O ATOM 0 H GLU A 50 -6.394 -18.638 -0.931 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.027 -20.331 1.283 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -8.178 -19.415 0.346 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -8.007 -20.490 -1.028 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.091 -22.466 0.491 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -8.224 -21.404 1.879 1.00 0.00 H new ATOM 822 N ASN A 51 -5.417 -21.809 -1.618 1.00 0.00 N ATOM 823 CA ASN A 51 -4.847 -23.038 -2.183 1.00 0.00 C ATOM 824 C ASN A 51 -3.416 -23.282 -1.696 1.00 0.00 C ATOM 825 O ASN A 51 -3.033 -24.419 -1.404 1.00 0.00 O ATOM 826 CB ASN A 51 -4.870 -22.990 -3.716 1.00 0.00 C ATOM 827 CG ASN A 51 -4.232 -24.249 -4.303 1.00 0.00 C ATOM 828 OD1 ASN A 51 -4.779 -25.343 -4.194 1.00 0.00 O ATOM 829 ND2 ASN A 51 -3.073 -24.131 -4.930 1.00 0.00 N ATOM 0 H ASN A 51 -5.654 -21.098 -2.310 1.00 0.00 H new ATOM 0 HA ASN A 51 -5.467 -23.865 -1.837 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -5.898 -22.899 -4.067 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -4.334 -22.107 -4.066 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -2.623 -24.955 -5.330 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -2.629 -23.216 -5.014 1.00 0.00 H new ATOM 836 N ALA A 52 -2.627 -22.209 -1.592 1.00 0.00 N ATOM 837 CA ALA A 52 -1.265 -22.288 -1.091 1.00 0.00 C ATOM 838 C ALA A 52 -1.279 -22.681 0.384 1.00 0.00 C ATOM 839 O ALA A 52 -0.512 -23.548 0.796 1.00 0.00 O ATOM 840 CB ALA A 52 -0.548 -20.949 -1.287 1.00 0.00 C ATOM 0 H ALA A 52 -2.919 -21.267 -1.853 1.00 0.00 H new ATOM 0 HA ALA A 52 -0.722 -23.050 -1.651 1.00 0.00 H new ATOM 0 HB1 ALA A 52 0.471 -21.023 -0.907 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.523 -20.702 -2.348 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.081 -20.168 -0.745 1.00 0.00 H new ATOM 846 N LEU A 53 -2.165 -22.072 1.177 1.00 0.00 N ATOM 847 CA LEU A 53 -2.283 -22.378 2.597 1.00 0.00 C ATOM 848 C LEU A 53 -2.772 -23.816 2.821 1.00 0.00 C ATOM 849 O LEU A 53 -2.279 -24.490 3.725 1.00 0.00 O ATOM 850 CB LEU A 53 -3.218 -21.356 3.257 1.00 0.00 C ATOM 851 CG LEU A 53 -2.620 -19.940 3.350 1.00 0.00 C ATOM 852 CD1 LEU A 53 -3.712 -18.941 3.726 1.00 0.00 C ATOM 853 CD2 LEU A 53 -1.490 -19.851 4.380 1.00 0.00 C ATOM 0 H LEU A 53 -2.815 -21.357 0.851 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.299 -22.308 3.060 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.149 -21.311 2.692 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.469 -21.701 4.260 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.203 -19.704 2.371 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.284 -17.941 3.790 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.493 -18.953 2.966 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.140 -19.215 4.690 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.102 -18.833 4.407 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.873 -20.120 5.364 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.690 -20.537 4.102 1.00 0.00 H new ATOM 865 N GLN A 54 -3.691 -24.314 1.989 1.00 0.00 N ATOM 866 CA GLN A 54 -4.176 -25.684 2.047 1.00 0.00 C ATOM 867 C GLN A 54 -3.032 -26.660 1.768 1.00 0.00 C ATOM 868 O GLN A 54 -2.782 -27.558 2.571 1.00 0.00 O ATOM 869 CB GLN A 54 -5.319 -25.887 1.039 1.00 0.00 C ATOM 870 CG GLN A 54 -6.648 -25.291 1.523 1.00 0.00 C ATOM 871 CD GLN A 54 -7.761 -25.466 0.486 1.00 0.00 C ATOM 872 OE1 GLN A 54 -7.615 -25.128 -0.686 1.00 0.00 O ATOM 873 NE2 GLN A 54 -8.898 -26.016 0.885 1.00 0.00 N ATOM 0 H GLN A 54 -4.122 -23.763 1.247 1.00 0.00 H new ATOM 0 HA GLN A 54 -4.561 -25.880 3.048 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -5.045 -25.430 0.088 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -5.450 -26.953 0.854 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -6.943 -25.770 2.457 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -6.514 -24.231 1.737 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -9.015 -26.295 1.859 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -9.656 -26.160 0.218 1.00 0.00 H new ATOM 882 N SER A 55 -2.304 -26.489 0.660 1.00 0.00 N ATOM 883 CA SER A 55 -1.209 -27.400 0.334 1.00 0.00 C ATOM 884 C SER A 55 -0.087 -27.324 1.386 1.00 0.00 C ATOM 885 O SER A 55 0.544 -28.334 1.714 1.00 0.00 O ATOM 886 CB SER A 55 -0.714 -27.160 -1.101 1.00 0.00 C ATOM 887 OG SER A 55 -0.620 -25.787 -1.460 1.00 0.00 O ATOM 0 H SER A 55 -2.452 -25.739 -0.016 1.00 0.00 H new ATOM 0 HA SER A 55 -1.581 -28.424 0.368 1.00 0.00 H new ATOM 0 HB2 SER A 55 0.266 -27.623 -1.218 1.00 0.00 H new ATOM 0 HB3 SER A 55 -1.389 -27.661 -1.795 1.00 0.00 H new ATOM 0 HG SER A 55 -1.520 -25.412 -1.558 1.00 0.00 H new ATOM 893 N PHE A 56 0.122 -26.145 1.975 1.00 0.00 N ATOM 894 CA PHE A 56 1.078 -25.944 3.046 1.00 0.00 C ATOM 895 C PHE A 56 0.678 -26.749 4.278 1.00 0.00 C ATOM 896 O PHE A 56 1.512 -27.497 4.782 1.00 0.00 O ATOM 897 CB PHE A 56 1.179 -24.449 3.345 1.00 0.00 C ATOM 898 CG PHE A 56 2.116 -24.052 4.463 1.00 0.00 C ATOM 899 CD1 PHE A 56 3.510 -24.130 4.280 1.00 0.00 C ATOM 900 CD2 PHE A 56 1.592 -23.522 5.657 1.00 0.00 C ATOM 901 CE1 PHE A 56 4.373 -23.644 5.276 1.00 0.00 C ATOM 902 CE2 PHE A 56 2.457 -23.021 6.641 1.00 0.00 C ATOM 903 CZ PHE A 56 3.846 -23.065 6.442 1.00 0.00 C ATOM 0 H PHE A 56 -0.379 -25.296 1.712 1.00 0.00 H new ATOM 0 HA PHE A 56 2.061 -26.302 2.742 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.496 -23.939 2.435 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.182 -24.080 3.587 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.914 -24.562 3.377 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.524 -23.501 5.816 1.00 0.00 H new ATOM 0 HE1 PHE A 56 5.443 -23.716 5.145 1.00 0.00 H new ATOM 0 HE2 PHE A 56 2.055 -22.602 7.551 1.00 0.00 H new ATOM 0 HZ PHE A 56 4.511 -22.653 7.187 1.00 0.00 H new ATOM 913 N VAL A 57 -0.575 -26.666 4.747 1.00 0.00 N ATOM 914 CA VAL A 57 -0.965 -27.454 5.915 1.00 0.00 C ATOM 915 C VAL A 57 -0.875 -28.951 5.593 1.00 0.00 C ATOM 916 O VAL A 57 -0.392 -29.704 6.435 1.00 0.00 O ATOM 917 CB VAL A 57 -2.304 -27.012 6.548 1.00 0.00 C ATOM 918 CG1 VAL A 57 -3.542 -27.267 5.683 1.00 0.00 C ATOM 919 CG2 VAL A 57 -2.509 -27.692 7.912 1.00 0.00 C ATOM 0 H VAL A 57 -1.310 -26.082 4.349 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.247 -27.254 6.710 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.213 -25.931 6.654 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.432 -26.924 6.211 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.447 -26.725 4.742 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.630 -28.334 5.479 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -3.457 -27.368 8.341 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -2.521 -28.774 7.781 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.694 -27.417 8.582 1.00 0.00 H new ATOM 929 N GLU A 58 -1.238 -29.379 4.375 1.00 0.00 N ATOM 930 CA GLU A 58 -1.120 -30.774 3.951 1.00 0.00 C ATOM 931 C GLU A 58 0.325 -31.262 4.101 1.00 0.00 C ATOM 932 O GLU A 58 0.558 -32.366 4.594 1.00 0.00 O ATOM 933 CB GLU A 58 -1.610 -30.951 2.503 1.00 0.00 C ATOM 934 CG GLU A 58 -3.133 -30.842 2.339 1.00 0.00 C ATOM 935 CD GLU A 58 -3.863 -32.112 2.808 1.00 0.00 C ATOM 936 OE1 GLU A 58 -4.004 -33.067 2.008 1.00 0.00 O ATOM 937 OE2 GLU A 58 -4.322 -32.164 3.970 1.00 0.00 O ATOM 0 H GLU A 58 -1.622 -28.763 3.658 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.755 -31.381 4.597 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.133 -30.199 1.875 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.285 -31.925 2.137 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.497 -29.986 2.907 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.371 -30.655 1.292 1.00 0.00 H new ATOM 944 N ALA A 59 1.295 -30.424 3.730 1.00 0.00 N ATOM 945 CA ALA A 59 2.712 -30.720 3.913 1.00 0.00 C ATOM 946 C ALA A 59 3.095 -30.752 5.400 1.00 0.00 C ATOM 947 O ALA A 59 3.815 -31.655 5.834 1.00 0.00 O ATOM 948 CB ALA A 59 3.569 -29.706 3.152 1.00 0.00 C ATOM 0 H ALA A 59 1.117 -29.520 3.293 1.00 0.00 H new ATOM 0 HA ALA A 59 2.902 -31.713 3.507 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.624 -29.939 3.298 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.330 -29.753 2.089 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.364 -28.703 3.526 1.00 0.00 H new ATOM 954 N VAL A 60 2.600 -29.805 6.202 1.00 0.00 N ATOM 955 CA VAL A 60 2.843 -29.755 7.643 1.00 0.00 C ATOM 956 C VAL A 60 2.339 -31.038 8.323 1.00 0.00 C ATOM 957 O VAL A 60 2.974 -31.485 9.278 1.00 0.00 O ATOM 958 CB VAL A 60 2.230 -28.469 8.244 1.00 0.00 C ATOM 959 CG1 VAL A 60 2.269 -28.434 9.777 1.00 0.00 C ATOM 960 CG2 VAL A 60 2.968 -27.213 7.748 1.00 0.00 C ATOM 0 H VAL A 60 2.012 -29.043 5.863 1.00 0.00 H new ATOM 0 HA VAL A 60 3.916 -29.710 7.829 1.00 0.00 H new ATOM 0 HB VAL A 60 1.192 -28.477 7.912 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.823 -27.505 10.131 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.708 -29.280 10.175 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.303 -28.492 10.116 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.513 -26.326 8.189 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.016 -27.267 8.042 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.898 -27.155 6.662 1.00 0.00 H new ATOM 970 N LYS A 61 1.266 -31.679 7.829 1.00 0.00 N ATOM 971 CA LYS A 61 0.802 -32.944 8.412 1.00 0.00 C ATOM 972 C LYS A 61 1.890 -34.020 8.356 1.00 0.00 C ATOM 973 O LYS A 61 1.916 -34.893 9.223 1.00 0.00 O ATOM 974 CB LYS A 61 -0.474 -33.500 7.751 1.00 0.00 C ATOM 975 CG LYS A 61 -1.601 -32.485 7.509 1.00 0.00 C ATOM 976 CD LYS A 61 -2.950 -33.133 7.163 1.00 0.00 C ATOM 977 CE LYS A 61 -3.578 -33.865 8.360 1.00 0.00 C ATOM 978 NZ LYS A 61 -4.898 -34.453 8.024 1.00 0.00 N ATOM 0 H LYS A 61 0.713 -31.346 7.039 1.00 0.00 H new ATOM 0 HA LYS A 61 0.564 -32.702 9.448 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.200 -33.945 6.794 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.863 -34.304 8.376 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -1.721 -31.869 8.400 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.309 -31.818 6.698 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -3.638 -32.365 6.810 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -2.811 -33.838 6.343 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -2.905 -34.654 8.696 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -3.693 -33.169 9.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -5.285 -34.937 8.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -5.549 -33.698 7.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -4.786 -35.137 7.249 1.00 0.00 H new ATOM 992 N ASN A 62 2.764 -33.992 7.342 1.00 0.00 N ATOM 993 CA ASN A 62 3.863 -34.942 7.228 1.00 0.00 C ATOM 994 C ASN A 62 5.015 -34.569 8.161 1.00 0.00 C ATOM 995 O ASN A 62 5.602 -35.443 8.800 1.00 0.00 O ATOM 996 CB ASN A 62 4.376 -35.025 5.783 1.00 0.00 C ATOM 997 CG ASN A 62 5.344 -36.195 5.624 1.00 0.00 C ATOM 998 OD1 ASN A 62 4.922 -37.329 5.411 1.00 0.00 O ATOM 999 ND2 ASN A 62 6.642 -35.971 5.717 1.00 0.00 N ATOM 0 H ASN A 62 2.724 -33.311 6.584 1.00 0.00 H new ATOM 0 HA ASN A 62 3.476 -35.918 7.521 1.00 0.00 H new ATOM 0 HB2 ASN A 62 3.536 -35.145 5.099 1.00 0.00 H new ATOM 0 HB3 ASN A 62 4.875 -34.094 5.514 1.00 0.00 H new ATOM 0 HD21 ASN A 62 7.301 -36.742 5.612 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.985 -35.027 5.894 1.00 0.00 H new ATOM 1006 N GLY A 63 5.334 -33.275 8.235 1.00 0.00 N ATOM 1007 CA GLY A 63 6.566 -32.794 8.848 1.00 0.00 C ATOM 1008 C GLY A 63 7.780 -33.151 7.982 1.00 0.00 C ATOM 1009 O GLY A 63 7.625 -33.581 6.833 1.00 0.00 O ATOM 0 H GLY A 63 4.740 -32.531 7.869 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.514 -31.713 8.981 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.679 -33.232 9.840 1.00 0.00 H new ATOM 1013 N SER A 64 8.987 -32.969 8.522 1.00 0.00 N ATOM 1014 CA SER A 64 10.219 -33.387 7.859 1.00 0.00 C ATOM 1015 C SER A 64 10.209 -34.913 7.631 1.00 0.00 C ATOM 1016 O SER A 64 9.449 -35.627 8.298 1.00 0.00 O ATOM 1017 CB SER A 64 11.424 -32.937 8.707 1.00 0.00 C ATOM 1018 OG SER A 64 11.618 -33.779 9.829 1.00 0.00 O ATOM 0 H SER A 64 9.135 -32.528 9.430 1.00 0.00 H new ATOM 0 HA SER A 64 10.297 -32.917 6.879 1.00 0.00 H new ATOM 0 HB2 SER A 64 12.323 -32.938 8.091 1.00 0.00 H new ATOM 0 HB3 SER A 64 11.270 -31.912 9.044 1.00 0.00 H new ATOM 0 HG SER A 64 12.463 -33.548 10.269 1.00 0.00 H new ATOM 1024 N PRO A 65 11.103 -35.466 6.789 1.00 0.00 N ATOM 1025 CA PRO A 65 11.270 -36.914 6.665 1.00 0.00 C ATOM 1026 C PRO A 65 11.754 -37.596 7.962 1.00 0.00 C ATOM 1027 O PRO A 65 11.804 -38.828 8.004 1.00 0.00 O ATOM 1028 CB PRO A 65 12.238 -37.122 5.494 1.00 0.00 C ATOM 1029 CG PRO A 65 13.022 -35.815 5.433 1.00 0.00 C ATOM 1030 CD PRO A 65 11.992 -34.775 5.866 1.00 0.00 C ATOM 0 HA PRO A 65 10.308 -37.391 6.478 1.00 0.00 H new ATOM 0 HB2 PRO A 65 12.895 -37.975 5.665 1.00 0.00 H new ATOM 0 HB3 PRO A 65 11.704 -37.312 4.563 1.00 0.00 H new ATOM 0 HG2 PRO A 65 13.884 -35.830 6.099 1.00 0.00 H new ATOM 0 HG3 PRO A 65 13.398 -35.617 4.429 1.00 0.00 H new ATOM 0 HD2 PRO A 65 12.473 -33.924 6.348 1.00 0.00 H new ATOM 0 HD3 PRO A 65 11.442 -34.387 5.009 1.00 0.00 H new ATOM 1038 N PHE A 66 12.083 -36.838 9.018 1.00 0.00 N ATOM 1039 CA PHE A 66 12.493 -37.362 10.319 1.00 0.00 C ATOM 1040 C PHE A 66 11.426 -37.110 11.397 1.00 0.00 C ATOM 1041 O PHE A 66 11.545 -37.637 12.504 1.00 0.00 O ATOM 1042 CB PHE A 66 13.834 -36.726 10.719 1.00 0.00 C ATOM 1043 CG PHE A 66 14.916 -36.813 9.656 1.00 0.00 C ATOM 1044 CD1 PHE A 66 15.547 -38.043 9.388 1.00 0.00 C ATOM 1045 CD2 PHE A 66 15.274 -35.669 8.915 1.00 0.00 C ATOM 1046 CE1 PHE A 66 16.531 -38.128 8.386 1.00 0.00 C ATOM 1047 CE2 PHE A 66 16.259 -35.755 7.915 1.00 0.00 C ATOM 1048 CZ PHE A 66 16.887 -36.984 7.648 1.00 0.00 C ATOM 0 H PHE A 66 12.069 -35.819 8.985 1.00 0.00 H new ATOM 0 HA PHE A 66 12.611 -38.443 10.237 1.00 0.00 H new ATOM 0 HB2 PHE A 66 13.666 -35.677 10.963 1.00 0.00 H new ATOM 0 HB3 PHE A 66 14.195 -37.210 11.627 1.00 0.00 H new ATOM 0 HD1 PHE A 66 15.275 -38.923 9.953 1.00 0.00 H new ATOM 0 HD2 PHE A 66 14.791 -34.724 9.116 1.00 0.00 H new ATOM 0 HE1 PHE A 66 17.014 -39.073 8.183 1.00 0.00 H new ATOM 0 HE2 PHE A 66 16.533 -34.876 7.351 1.00 0.00 H new ATOM 0 HZ PHE A 66 17.641 -37.050 6.878 1.00 0.00 H new ATOM 1058 N SER A 67 10.393 -36.316 11.100 1.00 0.00 N ATOM 1059 CA SER A 67 9.307 -36.016 12.017 1.00 0.00 C ATOM 1060 C SER A 67 8.346 -37.201 12.139 1.00 0.00 C ATOM 1061 O SER A 67 8.323 -38.105 11.297 1.00 0.00 O ATOM 1062 CB SER A 67 8.532 -34.806 11.486 1.00 0.00 C ATOM 1063 OG SER A 67 9.365 -33.673 11.345 1.00 0.00 O ATOM 0 H SER A 67 10.293 -35.858 10.194 1.00 0.00 H new ATOM 0 HA SER A 67 9.730 -35.807 13.000 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.087 -35.053 10.522 1.00 0.00 H new ATOM 0 HB3 SER A 67 7.712 -34.573 12.165 1.00 0.00 H new ATOM 0 HG SER A 67 10.108 -33.886 10.743 1.00 0.00 H new ATOM 1069 N LYS A 68 7.467 -37.128 13.139 1.00 0.00 N ATOM 1070 CA LYS A 68 6.183 -37.818 13.156 1.00 0.00 C ATOM 1071 C LYS A 68 5.196 -36.887 13.842 1.00 0.00 C ATOM 1072 O LYS A 68 5.489 -36.382 14.924 1.00 0.00 O ATOM 1073 CB LYS A 68 6.295 -39.165 13.888 1.00 0.00 C ATOM 1074 CG LYS A 68 4.946 -39.906 13.883 1.00 0.00 C ATOM 1075 CD LYS A 68 5.035 -41.339 14.421 1.00 0.00 C ATOM 1076 CE LYS A 68 5.442 -41.387 15.902 1.00 0.00 C ATOM 1077 NZ LYS A 68 5.477 -42.775 16.428 1.00 0.00 N ATOM 0 H LYS A 68 7.635 -36.573 13.978 1.00 0.00 H new ATOM 0 HA LYS A 68 5.847 -38.049 12.145 1.00 0.00 H new ATOM 0 HB2 LYS A 68 7.055 -39.782 13.409 1.00 0.00 H new ATOM 0 HB3 LYS A 68 6.620 -38.999 14.915 1.00 0.00 H new ATOM 0 HG2 LYS A 68 4.230 -39.345 14.483 1.00 0.00 H new ATOM 0 HG3 LYS A 68 4.558 -39.932 12.865 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.070 -41.831 14.296 1.00 0.00 H new ATOM 0 HD3 LYS A 68 5.758 -41.901 13.830 1.00 0.00 H new ATOM 0 HE2 LYS A 68 6.424 -40.930 16.022 1.00 0.00 H new ATOM 0 HE3 LYS A 68 4.740 -40.795 16.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 5.756 -42.760 17.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 4.534 -43.204 16.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 6.165 -43.335 15.885 1.00 0.00 H new ATOM 1091 N VAL A 69 4.036 -36.677 13.235 1.00 0.00 N ATOM 1092 CA VAL A 69 2.975 -35.848 13.790 1.00 0.00 C ATOM 1093 C VAL A 69 1.957 -36.805 14.411 1.00 0.00 C ATOM 1094 O VAL A 69 1.655 -37.850 13.827 1.00 0.00 O ATOM 1095 CB VAL A 69 2.377 -34.972 12.667 1.00 0.00 C ATOM 1096 CG1 VAL A 69 1.161 -34.159 13.134 1.00 0.00 C ATOM 1097 CG2 VAL A 69 3.435 -34.000 12.111 1.00 0.00 C ATOM 0 H VAL A 69 3.802 -37.084 12.329 1.00 0.00 H new ATOM 0 HA VAL A 69 3.330 -35.161 14.558 1.00 0.00 H new ATOM 0 HB VAL A 69 2.050 -35.661 11.889 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.782 -33.562 12.304 1.00 0.00 H new ATOM 0 HG12 VAL A 69 0.381 -34.837 13.479 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.456 -33.500 13.950 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.992 -33.393 11.321 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.790 -33.351 12.912 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.273 -34.567 11.706 1.00 0.00 H new ATOM 1107 N THR A 70 1.417 -36.450 15.576 1.00 0.00 N ATOM 1108 CA THR A 70 0.419 -37.240 16.288 1.00 0.00 C ATOM 1109 C THR A 70 -0.860 -36.426 16.527 1.00 0.00 C ATOM 1110 O THR A 70 -1.928 -37.013 16.717 1.00 0.00 O ATOM 1111 CB THR A 70 1.024 -37.780 17.597 1.00 0.00 C ATOM 1112 OG1 THR A 70 1.482 -36.709 18.398 1.00 0.00 O ATOM 1113 CG2 THR A 70 2.213 -38.713 17.330 1.00 0.00 C ATOM 0 H THR A 70 1.667 -35.587 16.059 1.00 0.00 H new ATOM 0 HA THR A 70 0.130 -38.094 15.675 1.00 0.00 H new ATOM 0 HB THR A 70 0.238 -38.337 18.106 1.00 0.00 H new ATOM 0 HG1 THR A 70 1.864 -37.062 19.229 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.613 -39.073 18.278 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.883 -39.561 16.730 1.00 0.00 H new ATOM 0 HG23 THR A 70 2.989 -38.168 16.793 1.00 0.00 H new ATOM 1121 N ASP A 71 -0.791 -35.091 16.450 1.00 0.00 N ATOM 1122 CA ASP A 71 -1.946 -34.198 16.478 1.00 0.00 C ATOM 1123 C ASP A 71 -1.584 -32.905 15.752 1.00 0.00 C ATOM 1124 O ASP A 71 -0.416 -32.507 15.729 1.00 0.00 O ATOM 1125 CB ASP A 71 -2.359 -33.897 17.927 1.00 0.00 C ATOM 1126 CG ASP A 71 -3.561 -32.941 17.988 1.00 0.00 C ATOM 1127 OD1 ASP A 71 -4.582 -33.211 17.317 1.00 0.00 O ATOM 1128 OD2 ASP A 71 -3.499 -31.934 18.727 1.00 0.00 O ATOM 0 H ASP A 71 0.095 -34.593 16.364 1.00 0.00 H new ATOM 0 HA ASP A 71 -2.789 -34.677 15.980 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -2.608 -34.828 18.435 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -1.517 -33.458 18.462 1.00 0.00 H new ATOM 1133 N ILE A 72 -2.574 -32.248 15.153 1.00 0.00 N ATOM 1134 CA ILE A 72 -2.418 -30.998 14.425 1.00 0.00 C ATOM 1135 C ILE A 72 -3.756 -30.249 14.504 1.00 0.00 C ATOM 1136 O ILE A 72 -4.820 -30.878 14.491 1.00 0.00 O ATOM 1137 CB ILE A 72 -1.940 -31.281 12.976 1.00 0.00 C ATOM 1138 CG1 ILE A 72 -1.621 -29.964 12.233 1.00 0.00 C ATOM 1139 CG2 ILE A 72 -2.915 -32.169 12.175 1.00 0.00 C ATOM 1140 CD1 ILE A 72 -1.018 -30.160 10.838 1.00 0.00 C ATOM 0 H ILE A 72 -3.537 -32.584 15.163 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.648 -30.363 14.863 1.00 0.00 H new ATOM 0 HB ILE A 72 -1.019 -31.858 13.059 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.537 -29.380 12.142 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.928 -29.378 12.837 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.521 -32.328 11.171 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -3.028 -33.130 12.677 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -3.886 -31.677 12.110 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -0.824 -29.187 10.386 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.083 -30.715 10.920 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.717 -30.717 10.214 1.00 0.00 H new ATOM 1152 N SER A 73 -3.699 -28.920 14.565 1.00 0.00 N ATOM 1153 CA SER A 73 -4.854 -28.036 14.654 1.00 0.00 C ATOM 1154 C SER A 73 -4.580 -26.784 13.822 1.00 0.00 C ATOM 1155 O SER A 73 -3.423 -26.395 13.643 1.00 0.00 O ATOM 1156 CB SER A 73 -5.103 -27.649 16.122 1.00 0.00 C ATOM 1157 OG SER A 73 -5.281 -28.791 16.948 1.00 0.00 O ATOM 0 H SER A 73 -2.814 -28.413 14.553 1.00 0.00 H new ATOM 0 HA SER A 73 -5.740 -28.544 14.273 1.00 0.00 H new ATOM 0 HB2 SER A 73 -4.262 -27.062 16.490 1.00 0.00 H new ATOM 0 HB3 SER A 73 -5.987 -27.014 16.185 1.00 0.00 H new ATOM 0 HG SER A 73 -5.435 -28.505 17.873 1.00 0.00 H new ATOM 1163 N VAL A 74 -5.640 -26.140 13.333 1.00 0.00 N ATOM 1164 CA VAL A 74 -5.573 -24.969 12.476 1.00 0.00 C ATOM 1165 C VAL A 74 -6.630 -23.951 12.921 1.00 0.00 C ATOM 1166 O VAL A 74 -7.696 -24.325 13.420 1.00 0.00 O ATOM 1167 CB VAL A 74 -5.714 -25.447 11.016 1.00 0.00 C ATOM 1168 CG1 VAL A 74 -7.113 -25.969 10.649 1.00 0.00 C ATOM 1169 CG2 VAL A 74 -5.282 -24.376 10.005 1.00 0.00 C ATOM 0 H VAL A 74 -6.597 -26.433 13.532 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.619 -24.447 12.552 1.00 0.00 H new ATOM 0 HB VAL A 74 -5.032 -26.295 10.954 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -7.122 -26.284 9.605 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -7.363 -26.817 11.286 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -7.847 -25.177 10.795 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -5.400 -24.762 8.993 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.901 -23.488 10.129 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -4.237 -24.116 10.174 1.00 0.00 H new ATOM 1179 N THR A 75 -6.327 -22.669 12.734 1.00 0.00 N ATOM 1180 CA THR A 75 -7.212 -21.534 12.973 1.00 0.00 C ATOM 1181 C THR A 75 -7.023 -20.585 11.780 1.00 0.00 C ATOM 1182 O THR A 75 -5.995 -20.649 11.100 1.00 0.00 O ATOM 1183 CB THR A 75 -6.859 -20.860 14.320 1.00 0.00 C ATOM 1184 OG1 THR A 75 -6.550 -21.810 15.329 1.00 0.00 O ATOM 1185 CG2 THR A 75 -7.995 -19.984 14.861 1.00 0.00 C ATOM 0 H THR A 75 -5.410 -22.380 12.394 1.00 0.00 H new ATOM 0 HA THR A 75 -8.257 -21.835 13.049 1.00 0.00 H new ATOM 0 HB THR A 75 -5.989 -20.243 14.097 1.00 0.00 H new ATOM 0 HG1 THR A 75 -6.332 -21.343 16.162 1.00 0.00 H new ATOM 0 HG21 THR A 75 -7.691 -19.537 15.807 1.00 0.00 H new ATOM 0 HG22 THR A 75 -8.220 -19.195 14.143 1.00 0.00 H new ATOM 0 HG23 THR A 75 -8.883 -20.596 15.018 1.00 0.00 H new ATOM 1193 N GLU A 76 -7.992 -19.711 11.505 1.00 0.00 N ATOM 1194 CA GLU A 76 -8.016 -18.882 10.302 1.00 0.00 C ATOM 1195 C GLU A 76 -8.480 -17.468 10.647 1.00 0.00 C ATOM 1196 O GLU A 76 -9.276 -17.280 11.575 1.00 0.00 O ATOM 1197 CB GLU A 76 -8.979 -19.499 9.272 1.00 0.00 C ATOM 1198 CG GLU A 76 -8.340 -20.653 8.499 1.00 0.00 C ATOM 1199 CD GLU A 76 -9.373 -21.387 7.626 1.00 0.00 C ATOM 1200 OE1 GLU A 76 -9.757 -20.868 6.554 1.00 0.00 O ATOM 1201 OE2 GLU A 76 -9.819 -22.494 8.008 1.00 0.00 O ATOM 0 H GLU A 76 -8.791 -19.558 12.120 1.00 0.00 H new ATOM 0 HA GLU A 76 -7.011 -18.835 9.884 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -9.873 -19.858 9.783 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -9.300 -18.729 8.571 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -7.537 -20.270 7.870 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -7.889 -21.356 9.199 1.00 0.00 H new ATOM 1208 N SER A 77 -8.029 -16.498 9.849 1.00 0.00 N ATOM 1209 CA SER A 77 -8.412 -15.089 9.927 1.00 0.00 C ATOM 1210 C SER A 77 -8.376 -14.500 8.515 1.00 0.00 C ATOM 1211 O SER A 77 -7.529 -14.891 7.708 1.00 0.00 O ATOM 1212 CB SER A 77 -7.425 -14.316 10.820 1.00 0.00 C ATOM 1213 OG SER A 77 -7.325 -14.868 12.125 1.00 0.00 O ATOM 0 H SER A 77 -7.360 -16.681 9.101 1.00 0.00 H new ATOM 0 HA SER A 77 -9.412 -15.006 10.354 1.00 0.00 H new ATOM 0 HB2 SER A 77 -6.440 -14.316 10.353 1.00 0.00 H new ATOM 0 HB3 SER A 77 -7.743 -13.276 10.892 1.00 0.00 H new ATOM 0 HG SER A 77 -6.686 -14.345 12.653 1.00 0.00 H new ATOM 1219 N ARG A 78 -9.263 -13.547 8.203 1.00 0.00 N ATOM 1220 CA ARG A 78 -9.123 -12.748 6.981 1.00 0.00 C ATOM 1221 C ARG A 78 -8.164 -11.582 7.212 1.00 0.00 C ATOM 1222 O ARG A 78 -7.447 -11.197 6.288 1.00 0.00 O ATOM 1223 CB ARG A 78 -10.483 -12.233 6.475 1.00 0.00 C ATOM 1224 CG ARG A 78 -11.540 -13.309 6.186 1.00 0.00 C ATOM 1225 CD ARG A 78 -11.019 -14.452 5.307 1.00 0.00 C ATOM 1226 NE ARG A 78 -10.440 -13.997 4.026 1.00 0.00 N ATOM 1227 CZ ARG A 78 -11.108 -13.701 2.905 1.00 0.00 C ATOM 1228 NH1 ARG A 78 -12.436 -13.772 2.854 1.00 0.00 N ATOM 1229 NH2 ARG A 78 -10.417 -13.331 1.835 1.00 0.00 N ATOM 0 H ARG A 78 -10.076 -13.313 8.773 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.710 -13.399 6.210 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -10.887 -11.543 7.216 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -10.317 -11.660 5.563 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -11.897 -13.720 7.130 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -12.396 -12.845 5.696 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -10.263 -15.009 5.860 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -11.837 -15.143 5.101 1.00 0.00 H new ATOM 0 HE ARG A 78 -9.425 -13.898 3.993 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -12.964 -14.056 3.679 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -12.926 -13.542 1.990 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -9.399 -13.277 1.879 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -10.903 -13.100 0.969 1.00 0.00 H new ATOM 1243 N SER A 79 -8.134 -11.037 8.431 1.00 0.00 N ATOM 1244 CA SER A 79 -7.137 -10.082 8.874 1.00 0.00 C ATOM 1245 C SER A 79 -5.744 -10.705 8.740 1.00 0.00 C ATOM 1246 O SER A 79 -5.587 -11.925 8.847 1.00 0.00 O ATOM 1247 CB SER A 79 -7.427 -9.695 10.331 1.00 0.00 C ATOM 1248 OG SER A 79 -8.802 -9.378 10.506 1.00 0.00 O ATOM 0 H SER A 79 -8.824 -11.259 9.149 1.00 0.00 H new ATOM 0 HA SER A 79 -7.173 -9.183 8.259 1.00 0.00 H new ATOM 0 HB2 SER A 79 -7.152 -10.517 10.992 1.00 0.00 H new ATOM 0 HB3 SER A 79 -6.813 -8.840 10.614 1.00 0.00 H new ATOM 0 HG SER A 79 -8.965 -9.136 11.441 1.00 0.00 H new ATOM 1254 N LEU A 80 -4.741 -9.852 8.545 1.00 0.00 N ATOM 1255 CA LEU A 80 -3.350 -10.244 8.337 1.00 0.00 C ATOM 1256 C LEU A 80 -2.470 -9.526 9.357 1.00 0.00 C ATOM 1257 O LEU A 80 -2.794 -8.418 9.792 1.00 0.00 O ATOM 1258 CB LEU A 80 -2.865 -9.859 6.925 1.00 0.00 C ATOM 1259 CG LEU A 80 -3.651 -10.426 5.730 1.00 0.00 C ATOM 1260 CD1 LEU A 80 -2.985 -9.938 4.438 1.00 0.00 C ATOM 1261 CD2 LEU A 80 -3.718 -11.956 5.726 1.00 0.00 C ATOM 0 H LEU A 80 -4.878 -8.841 8.527 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.283 -11.326 8.452 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.875 -8.772 6.850 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.827 -10.176 6.827 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.678 -10.070 5.808 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.528 -10.330 3.578 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.999 -8.848 4.410 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.953 -10.288 4.406 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.285 -12.293 4.859 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.708 -12.364 5.680 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.208 -12.301 6.636 1.00 0.00 H new ATOM 1273 N GLU A 81 -1.322 -10.117 9.678 1.00 0.00 N ATOM 1274 CA GLU A 81 -0.218 -9.415 10.321 1.00 0.00 C ATOM 1275 C GLU A 81 0.513 -8.571 9.269 1.00 0.00 C ATOM 1276 O GLU A 81 0.951 -7.457 9.562 1.00 0.00 O ATOM 1277 CB GLU A 81 0.764 -10.395 10.985 1.00 0.00 C ATOM 1278 CG GLU A 81 0.131 -11.490 11.859 1.00 0.00 C ATOM 1279 CD GLU A 81 -0.978 -10.974 12.795 1.00 0.00 C ATOM 1280 OE1 GLU A 81 -0.682 -10.179 13.717 1.00 0.00 O ATOM 1281 OE2 GLU A 81 -2.148 -11.386 12.629 1.00 0.00 O ATOM 0 H GLU A 81 -1.132 -11.103 9.498 1.00 0.00 H new ATOM 0 HA GLU A 81 -0.621 -8.774 11.105 1.00 0.00 H new ATOM 0 HB2 GLU A 81 1.352 -10.876 10.203 1.00 0.00 H new ATOM 0 HB3 GLU A 81 1.459 -9.823 11.600 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -0.283 -12.264 11.213 1.00 0.00 H new ATOM 0 HG3 GLU A 81 0.911 -11.959 12.459 1.00 0.00 H new ATOM 1288 N GLY A 82 0.598 -9.082 8.036 1.00 0.00 N ATOM 1289 CA GLY A 82 1.150 -8.380 6.887 1.00 0.00 C ATOM 1290 C GLY A 82 2.614 -8.744 6.664 1.00 0.00 C ATOM 1291 O GLY A 82 3.434 -7.851 6.438 1.00 0.00 O ATOM 0 H GLY A 82 0.274 -10.022 7.810 1.00 0.00 H new ATOM 0 HA2 GLY A 82 0.572 -8.626 5.996 1.00 0.00 H new ATOM 0 HA3 GLY A 82 1.060 -7.304 7.038 1.00 0.00 H new ATOM 1295 N HIS A 83 2.967 -10.029 6.785 1.00 0.00 N ATOM 1296 CA HIS A 83 4.314 -10.510 6.499 1.00 0.00 C ATOM 1297 C HIS A 83 4.677 -10.271 5.023 1.00 0.00 C ATOM 1298 O HIS A 83 3.800 -10.216 4.157 1.00 0.00 O ATOM 1299 CB HIS A 83 4.404 -12.008 6.821 1.00 0.00 C ATOM 1300 CG HIS A 83 4.250 -12.364 8.274 1.00 0.00 C ATOM 1301 ND1 HIS A 83 3.061 -12.522 8.944 1.00 0.00 N ATOM 1302 CD2 HIS A 83 5.255 -12.688 9.146 1.00 0.00 C ATOM 1303 CE1 HIS A 83 3.339 -12.918 10.197 1.00 0.00 C ATOM 1304 NE2 HIS A 83 4.668 -13.036 10.369 1.00 0.00 N ATOM 0 H HIS A 83 2.323 -10.761 7.084 1.00 0.00 H new ATOM 0 HA HIS A 83 5.020 -9.959 7.120 1.00 0.00 H new ATOM 0 HB2 HIS A 83 3.636 -12.532 6.252 1.00 0.00 H new ATOM 0 HB3 HIS A 83 5.368 -12.380 6.473 1.00 0.00 H new ATOM 0 HD1 HIS A 83 2.130 -12.366 8.558 1.00 0.00 H new ATOM 0 HD2 HIS A 83 6.313 -12.677 8.929 1.00 0.00 H new ATOM 0 HE1 HIS A 83 2.600 -13.114 10.959 1.00 0.00 H new ATOM 1312 N HIS A 84 5.984 -10.225 4.734 1.00 0.00 N ATOM 1313 CA HIS A 84 6.541 -10.090 3.380 1.00 0.00 C ATOM 1314 C HIS A 84 7.631 -11.141 3.091 1.00 0.00 C ATOM 1315 O HIS A 84 8.180 -11.182 1.988 1.00 0.00 O ATOM 1316 CB HIS A 84 7.075 -8.661 3.180 1.00 0.00 C ATOM 1317 CG HIS A 84 6.021 -7.589 3.327 1.00 0.00 C ATOM 1318 ND1 HIS A 84 5.888 -6.703 4.374 1.00 0.00 N ATOM 1319 CD2 HIS A 84 5.014 -7.315 2.439 1.00 0.00 C ATOM 1320 CE1 HIS A 84 4.825 -5.921 4.126 1.00 0.00 C ATOM 1321 NE2 HIS A 84 4.257 -6.251 2.949 1.00 0.00 N ATOM 0 H HIS A 84 6.704 -10.282 5.455 1.00 0.00 H new ATOM 0 HA HIS A 84 5.740 -10.274 2.664 1.00 0.00 H new ATOM 0 HB2 HIS A 84 7.871 -8.476 3.902 1.00 0.00 H new ATOM 0 HB3 HIS A 84 7.521 -8.585 2.188 1.00 0.00 H new ATOM 0 HD2 HIS A 84 4.834 -7.830 1.507 1.00 0.00 H new ATOM 0 HE1 HIS A 84 4.474 -5.136 4.779 1.00 0.00 H new ATOM 0 HE2 HIS A 84 3.442 -5.815 2.517 1.00 0.00 H new ATOM 1329 N ARG A 85 7.948 -11.997 4.068 1.00 0.00 N ATOM 1330 CA ARG A 85 8.862 -13.136 3.973 1.00 0.00 C ATOM 1331 C ARG A 85 8.345 -14.211 4.930 1.00 0.00 C ATOM 1332 O ARG A 85 7.366 -13.962 5.639 1.00 0.00 O ATOM 1333 CB ARG A 85 10.307 -12.702 4.299 1.00 0.00 C ATOM 1334 CG ARG A 85 10.480 -12.091 5.705 1.00 0.00 C ATOM 1335 CD ARG A 85 11.955 -11.862 6.059 1.00 0.00 C ATOM 1336 NE ARG A 85 12.596 -10.861 5.184 1.00 0.00 N ATOM 1337 CZ ARG A 85 13.912 -10.615 5.115 1.00 0.00 C ATOM 1338 NH1 ARG A 85 14.769 -11.289 5.879 1.00 0.00 N ATOM 1339 NH2 ARG A 85 14.366 -9.690 4.276 1.00 0.00 N ATOM 0 H ARG A 85 7.548 -11.906 5.002 1.00 0.00 H new ATOM 0 HA ARG A 85 8.892 -13.537 2.960 1.00 0.00 H new ATOM 0 HB2 ARG A 85 10.964 -13.567 4.207 1.00 0.00 H new ATOM 0 HB3 ARG A 85 10.633 -11.974 3.556 1.00 0.00 H new ATOM 0 HG2 ARG A 85 9.944 -11.143 5.756 1.00 0.00 H new ATOM 0 HG3 ARG A 85 10.029 -12.752 6.445 1.00 0.00 H new ATOM 0 HD2 ARG A 85 12.030 -11.535 7.096 1.00 0.00 H new ATOM 0 HD3 ARG A 85 12.495 -12.806 5.983 1.00 0.00 H new ATOM 0 HE ARG A 85 11.986 -10.310 4.581 1.00 0.00 H new ATOM 0 HH11 ARG A 85 14.426 -12.000 6.525 1.00 0.00 H new ATOM 0 HH12 ARG A 85 15.768 -11.094 5.819 1.00 0.00 H new ATOM 0 HH21 ARG A 85 13.714 -9.171 3.688 1.00 0.00 H new ATOM 0 HH22 ARG A 85 15.366 -9.499 4.220 1.00 0.00 H new ATOM 1353 N PHE A 86 8.985 -15.379 4.985 1.00 0.00 N ATOM 1354 CA PHE A 86 8.612 -16.437 5.915 1.00 0.00 C ATOM 1355 C PHE A 86 9.817 -16.757 6.792 1.00 0.00 C ATOM 1356 O PHE A 86 10.873 -17.120 6.262 1.00 0.00 O ATOM 1357 CB PHE A 86 8.085 -17.663 5.160 1.00 0.00 C ATOM 1358 CG PHE A 86 7.445 -18.667 6.095 1.00 0.00 C ATOM 1359 CD1 PHE A 86 8.250 -19.560 6.823 1.00 0.00 C ATOM 1360 CD2 PHE A 86 6.047 -18.683 6.272 1.00 0.00 C ATOM 1361 CE1 PHE A 86 7.667 -20.454 7.733 1.00 0.00 C ATOM 1362 CE2 PHE A 86 5.465 -19.565 7.196 1.00 0.00 C ATOM 1363 CZ PHE A 86 6.277 -20.447 7.927 1.00 0.00 C ATOM 0 H PHE A 86 9.776 -15.615 4.385 1.00 0.00 H new ATOM 0 HA PHE A 86 7.797 -16.108 6.559 1.00 0.00 H new ATOM 0 HB2 PHE A 86 7.356 -17.345 4.414 1.00 0.00 H new ATOM 0 HB3 PHE A 86 8.905 -18.139 4.622 1.00 0.00 H new ATOM 0 HD1 PHE A 86 9.321 -19.558 6.681 1.00 0.00 H new ATOM 0 HD2 PHE A 86 5.423 -18.016 5.696 1.00 0.00 H new ATOM 0 HE1 PHE A 86 8.287 -21.147 8.283 1.00 0.00 H new ATOM 0 HE2 PHE A 86 4.395 -19.565 7.344 1.00 0.00 H new ATOM 0 HZ PHE A 86 5.830 -21.123 8.641 1.00 0.00 H new ATOM 1373 N SER A 87 9.667 -16.640 8.113 1.00 0.00 N ATOM 1374 CA SER A 87 10.806 -16.573 9.024 1.00 0.00 C ATOM 1375 C SER A 87 10.736 -17.652 10.106 1.00 0.00 C ATOM 1376 O SER A 87 9.681 -17.922 10.682 1.00 0.00 O ATOM 1377 CB SER A 87 10.850 -15.178 9.660 1.00 0.00 C ATOM 1378 OG SER A 87 10.879 -14.169 8.660 1.00 0.00 O ATOM 0 H SER A 87 8.760 -16.590 8.576 1.00 0.00 H new ATOM 0 HA SER A 87 11.718 -16.754 8.454 1.00 0.00 H new ATOM 0 HB2 SER A 87 9.979 -15.037 10.300 1.00 0.00 H new ATOM 0 HB3 SER A 87 11.731 -15.091 10.297 1.00 0.00 H new ATOM 0 HG SER A 87 10.905 -13.287 9.086 1.00 0.00 H new ATOM 1384 N ILE A 88 11.882 -18.248 10.421 1.00 0.00 N ATOM 1385 CA ILE A 88 12.035 -19.075 11.612 1.00 0.00 C ATOM 1386 C ILE A 88 12.239 -18.085 12.768 1.00 0.00 C ATOM 1387 O ILE A 88 13.090 -17.197 12.671 1.00 0.00 O ATOM 1388 CB ILE A 88 13.215 -20.056 11.418 1.00 0.00 C ATOM 1389 CG1 ILE A 88 12.934 -21.019 10.236 1.00 0.00 C ATOM 1390 CG2 ILE A 88 13.466 -20.858 12.708 1.00 0.00 C ATOM 1391 CD1 ILE A 88 14.191 -21.704 9.686 1.00 0.00 C ATOM 0 H ILE A 88 12.729 -18.171 9.858 1.00 0.00 H new ATOM 0 HA ILE A 88 11.171 -19.706 11.819 1.00 0.00 H new ATOM 0 HB ILE A 88 14.108 -19.475 11.188 1.00 0.00 H new ATOM 0 HG12 ILE A 88 12.228 -21.783 10.561 1.00 0.00 H new ATOM 0 HG13 ILE A 88 12.453 -20.462 9.432 1.00 0.00 H new ATOM 0 HG21 ILE A 88 14.299 -21.543 12.554 1.00 0.00 H new ATOM 0 HG22 ILE A 88 13.705 -20.173 13.522 1.00 0.00 H new ATOM 0 HG23 ILE A 88 12.571 -21.426 12.963 1.00 0.00 H new ATOM 0 HD11 ILE A 88 13.916 -22.362 8.862 1.00 0.00 H new ATOM 0 HD12 ILE A 88 14.891 -20.948 9.329 1.00 0.00 H new ATOM 0 HD13 ILE A 88 14.662 -22.289 10.476 1.00 0.00 H new ATOM 1403 N VAL A 89 11.462 -18.224 13.841 1.00 0.00 N ATOM 1404 CA VAL A 89 11.486 -17.342 15.006 1.00 0.00 C ATOM 1405 C VAL A 89 11.443 -18.198 16.283 1.00 0.00 C ATOM 1406 O VAL A 89 11.354 -19.428 16.211 1.00 0.00 O ATOM 1407 CB VAL A 89 10.356 -16.281 14.921 1.00 0.00 C ATOM 1408 CG1 VAL A 89 10.402 -15.467 13.616 1.00 0.00 C ATOM 1409 CG2 VAL A 89 8.948 -16.869 15.086 1.00 0.00 C ATOM 0 H VAL A 89 10.778 -18.976 13.926 1.00 0.00 H new ATOM 0 HA VAL A 89 12.413 -16.770 15.032 1.00 0.00 H new ATOM 0 HB VAL A 89 10.552 -15.620 15.765 1.00 0.00 H new ATOM 0 HG11 VAL A 89 9.589 -14.741 13.611 1.00 0.00 H new ATOM 0 HG12 VAL A 89 11.356 -14.944 13.547 1.00 0.00 H new ATOM 0 HG13 VAL A 89 10.293 -16.139 12.764 1.00 0.00 H new ATOM 0 HG21 VAL A 89 8.210 -16.070 15.016 1.00 0.00 H new ATOM 0 HG22 VAL A 89 8.766 -17.602 14.300 1.00 0.00 H new ATOM 0 HG23 VAL A 89 8.867 -17.353 16.059 1.00 0.00 H new ATOM 1419 N TYR A 90 11.519 -17.556 17.454 1.00 0.00 N ATOM 1420 CA TYR A 90 11.762 -18.230 18.733 1.00 0.00 C ATOM 1421 C TYR A 90 10.795 -17.764 19.837 1.00 0.00 C ATOM 1422 O TYR A 90 10.895 -18.231 20.974 1.00 0.00 O ATOM 1423 CB TYR A 90 13.231 -18.004 19.142 1.00 0.00 C ATOM 1424 CG TYR A 90 14.246 -18.317 18.052 1.00 0.00 C ATOM 1425 CD1 TYR A 90 14.668 -19.642 17.833 1.00 0.00 C ATOM 1426 CD2 TYR A 90 14.740 -17.283 17.230 1.00 0.00 C ATOM 1427 CE1 TYR A 90 15.577 -19.937 16.800 1.00 0.00 C ATOM 1428 CE2 TYR A 90 15.639 -17.571 16.187 1.00 0.00 C ATOM 1429 CZ TYR A 90 16.061 -18.901 15.967 1.00 0.00 C ATOM 1430 OH TYR A 90 16.937 -19.169 14.956 1.00 0.00 O ATOM 0 H TYR A 90 11.413 -16.545 17.541 1.00 0.00 H new ATOM 0 HA TYR A 90 11.575 -19.296 18.604 1.00 0.00 H new ATOM 0 HB2 TYR A 90 13.354 -16.965 19.447 1.00 0.00 H new ATOM 0 HB3 TYR A 90 13.451 -18.621 20.013 1.00 0.00 H new ATOM 0 HD1 TYR A 90 14.292 -20.436 18.461 1.00 0.00 H new ATOM 0 HD2 TYR A 90 14.426 -16.264 17.402 1.00 0.00 H new ATOM 0 HE1 TYR A 90 15.905 -20.954 16.643 1.00 0.00 H new ATOM 0 HE2 TYR A 90 16.006 -16.776 15.555 1.00 0.00 H new ATOM 0 HH TYR A 90 17.160 -18.338 14.488 1.00 0.00 H new ATOM 1440 N SER A 91 9.852 -16.874 19.510 1.00 0.00 N ATOM 1441 CA SER A 91 8.859 -16.297 20.408 1.00 0.00 C ATOM 1442 C SER A 91 7.595 -16.082 19.585 1.00 0.00 C ATOM 1443 O SER A 91 7.717 -15.696 18.404 1.00 0.00 O ATOM 1444 CB SER A 91 9.353 -14.957 20.976 1.00 0.00 C ATOM 1445 OG SER A 91 10.603 -15.095 21.643 1.00 0.00 O ATOM 1446 OXT SER A 91 6.486 -16.357 20.090 1.00 0.00 O ATOM 0 H SER A 91 9.760 -16.521 18.558 1.00 0.00 H new ATOM 0 HA SER A 91 8.673 -16.960 21.253 1.00 0.00 H new ATOM 0 HB2 SER A 91 9.451 -14.233 20.167 1.00 0.00 H new ATOM 0 HB3 SER A 91 8.612 -14.561 21.670 1.00 0.00 H new ATOM 0 HG SER A 91 10.887 -14.223 21.990 1.00 0.00 H new TER 1452 SER A 91 HETATM 1453 P PO4 A 92 13.879 -28.629 14.757 1.00 0.00 P HETATM 1454 O1 PO4 A 92 13.200 -29.874 14.385 1.00 0.00 O HETATM 1455 O2 PO4 A 92 13.312 -27.495 14.014 1.00 0.00 O HETATM 1456 O3 PO4 A 92 13.721 -28.401 16.202 1.00 0.00 O HETATM 1457 O4 PO4 A 92 15.318 -28.736 14.464 1.00 0.00 O