USER MOD reduce.3.24.130724 H: found=0, std=0, add=725, rem=0, adj=21 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 76:sc= 1.25 USER MOD Set 1.2: A 67 SER OG : rot -13:sc= 0.863 USER MOD Single : A 1 MET CE :methyl -174:sc= 0 (180deg=-0.0467) USER MOD Single : A 1 MET N :NH3+ 146:sc= 0.0196 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 1.74 K(o=1.7,f=-0.0012) USER MOD Single : A 4 TYR OH : rot 30:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 1.48 K(o=1.5,f=-0.84) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 1.09 K(o=1.1,f=-0.8) USER MOD Single : A 23 MET CE :methyl -174:sc= 0 (180deg=-0.0356) USER MOD Single : A 27 LYS NZ :NH3+ -128:sc= 0.971 (180deg=-0.368) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 167:sc= 1.26 (180deg=1.15) USER MOD Single : A 36 ASN : amide:sc= 1.07 K(o=1.1,f=-0.72) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 GLN : amide:sc= 0.27 X(o=0.27,f=-0.00017) USER MOD Single : A 55 SER OG : rot 70:sc= 1.21 USER MOD Single : A 61 LYS NZ :NH3+ -178:sc= 1.21 (180deg=1.17) USER MOD Single : A 62 ASN : amide:sc= 0.969 K(o=0.97,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= -0.0175 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 USER MOD Single : A 83 HIS : no HE2:sc= 1.11 K(o=1.1,f=-4.1!) USER MOD Single : A 84 HIS : no HE2:sc= 0.522 K(o=0.52,f=-2.4!) 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=7.64e-05 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.231 -13.757 -0.794 1.00 0.00 N ATOM 2 CA MET A 1 -5.264 -13.832 0.333 1.00 0.00 C ATOM 3 C MET A 1 -5.993 -14.202 1.628 1.00 0.00 C ATOM 4 O MET A 1 -7.105 -13.734 1.877 1.00 0.00 O ATOM 5 CB MET A 1 -4.482 -12.514 0.519 1.00 0.00 C ATOM 6 CG MET A 1 -3.357 -12.319 -0.507 1.00 0.00 C ATOM 7 SD MET A 1 -2.002 -13.526 -0.424 1.00 0.00 S ATOM 8 CE MET A 1 -1.195 -13.022 1.125 1.00 0.00 C ATOM 0 H1 MET A 1 -5.933 -13.014 -1.458 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.260 -14.672 -1.288 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.177 -13.533 -0.425 1.00 0.00 H new ATOM 0 HA MET A 1 -4.538 -14.608 0.089 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.176 -11.676 0.449 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.056 -12.492 1.522 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.791 -12.355 -1.506 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.939 -11.321 -0.376 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.280 -13.598 1.263 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.952 -11.960 1.080 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.869 -13.205 1.962 1.00 0.00 H new ATOM 20 N LEU A 2 -5.369 -15.042 2.458 1.00 0.00 N ATOM 21 CA LEU A 2 -5.918 -15.594 3.694 1.00 0.00 C ATOM 22 C LEU A 2 -4.780 -15.731 4.709 1.00 0.00 C ATOM 23 O LEU A 2 -3.624 -15.858 4.295 1.00 0.00 O ATOM 24 CB LEU A 2 -6.526 -16.968 3.353 1.00 0.00 C ATOM 25 CG LEU A 2 -7.165 -17.735 4.524 1.00 0.00 C ATOM 26 CD1 LEU A 2 -8.276 -16.912 5.175 1.00 0.00 C ATOM 27 CD2 LEU A 2 -7.766 -19.038 4.001 1.00 0.00 C ATOM 0 H LEU A 2 -4.421 -15.370 2.275 1.00 0.00 H new ATOM 0 HA LEU A 2 -6.688 -14.953 4.124 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -7.283 -16.826 2.582 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -5.744 -17.592 2.921 1.00 0.00 H new ATOM 0 HG LEU A 2 -6.392 -17.936 5.266 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -8.711 -17.476 6.000 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -7.862 -15.977 5.553 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -9.048 -16.694 4.437 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -8.220 -19.586 4.826 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -8.526 -18.814 3.252 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -6.981 -19.646 3.550 1.00 0.00 H new ATOM 39 N GLN A 3 -5.104 -15.746 6.007 1.00 0.00 N ATOM 40 CA GLN A 3 -4.176 -16.028 7.095 1.00 0.00 C ATOM 41 C GLN A 3 -4.637 -17.306 7.798 1.00 0.00 C ATOM 42 O GLN A 3 -5.826 -17.455 8.090 1.00 0.00 O ATOM 43 CB GLN A 3 -4.143 -14.852 8.095 1.00 0.00 C ATOM 44 CG GLN A 3 -3.094 -15.062 9.201 1.00 0.00 C ATOM 45 CD GLN A 3 -3.101 -13.964 10.265 1.00 0.00 C ATOM 46 OE1 GLN A 3 -3.580 -14.177 11.376 1.00 0.00 O ATOM 47 NE2 GLN A 3 -2.546 -12.796 9.989 1.00 0.00 N ATOM 0 H GLN A 3 -6.051 -15.555 6.334 1.00 0.00 H new ATOM 0 HA GLN A 3 -3.169 -16.159 6.699 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -3.925 -13.928 7.560 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -5.128 -14.734 8.547 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -3.272 -16.024 9.682 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -2.104 -15.111 8.747 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -2.150 -12.625 9.065 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -2.514 -12.066 10.700 1.00 0.00 H new ATOM 56 N TYR A 4 -3.687 -18.174 8.145 1.00 0.00 N ATOM 57 CA TYR A 4 -3.871 -19.340 9.000 1.00 0.00 C ATOM 58 C TYR A 4 -2.897 -19.247 10.175 1.00 0.00 C ATOM 59 O TYR A 4 -1.823 -18.649 10.064 1.00 0.00 O ATOM 60 CB TYR A 4 -3.593 -20.644 8.224 1.00 0.00 C ATOM 61 CG TYR A 4 -4.691 -21.263 7.369 1.00 0.00 C ATOM 62 CD1 TYR A 4 -5.996 -20.739 7.300 1.00 0.00 C ATOM 63 CD2 TYR A 4 -4.397 -22.450 6.672 1.00 0.00 C ATOM 64 CE1 TYR A 4 -6.997 -21.400 6.569 1.00 0.00 C ATOM 65 CE2 TYR A 4 -5.383 -23.107 5.916 1.00 0.00 C ATOM 66 CZ TYR A 4 -6.696 -22.588 5.869 1.00 0.00 C ATOM 67 OH TYR A 4 -7.660 -23.242 5.163 1.00 0.00 O ATOM 0 H TYR A 4 -2.725 -18.076 7.821 1.00 0.00 H new ATOM 0 HA TYR A 4 -4.903 -19.357 9.351 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -2.739 -20.459 7.573 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -3.284 -21.395 8.950 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -6.230 -19.819 7.815 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -3.400 -22.862 6.719 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -7.999 -20.998 6.543 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -5.137 -24.007 5.372 1.00 0.00 H new ATOM 0 HH TYR A 4 -8.320 -22.596 4.835 1.00 0.00 H new ATOM 77 N ARG A 5 -3.239 -19.924 11.271 1.00 0.00 N ATOM 78 CA ARG A 5 -2.324 -20.300 12.341 1.00 0.00 C ATOM 79 C ARG A 5 -2.444 -21.814 12.451 1.00 0.00 C ATOM 80 O ARG A 5 -3.554 -22.336 12.345 1.00 0.00 O ATOM 81 CB ARG A 5 -2.711 -19.605 13.658 1.00 0.00 C ATOM 82 CG ARG A 5 -1.586 -19.655 14.709 1.00 0.00 C ATOM 83 CD ARG A 5 -2.105 -19.235 16.089 1.00 0.00 C ATOM 84 NE ARG A 5 -1.011 -18.845 16.998 1.00 0.00 N ATOM 85 CZ ARG A 5 -0.602 -17.600 17.273 1.00 0.00 C ATOM 86 NH1 ARG A 5 -1.129 -16.540 16.660 1.00 0.00 N ATOM 87 NH2 ARG A 5 0.349 -17.441 18.182 1.00 0.00 N ATOM 0 H ARG A 5 -4.195 -20.235 11.441 1.00 0.00 H new ATOM 0 HA ARG A 5 -1.298 -19.995 12.133 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -2.966 -18.565 13.454 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -3.604 -20.078 14.065 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -1.177 -20.664 14.762 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -0.772 -18.997 14.407 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -2.797 -18.401 15.977 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -2.667 -20.058 16.531 1.00 0.00 H new ATOM 0 HE ARG A 5 -0.514 -19.603 17.466 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -1.862 -16.667 15.962 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -0.799 -15.602 16.889 1.00 0.00 H new ATOM 0 HH21 ARG A 5 0.748 -18.255 18.650 1.00 0.00 H new ATOM 0 HH22 ARG A 5 0.682 -16.505 18.413 1.00 0.00 H new ATOM 101 N ILE A 6 -1.334 -22.518 12.638 1.00 0.00 N ATOM 102 CA ILE A 6 -1.301 -23.972 12.701 1.00 0.00 C ATOM 103 C ILE A 6 -0.499 -24.329 13.947 1.00 0.00 C ATOM 104 O ILE A 6 0.506 -23.677 14.237 1.00 0.00 O ATOM 105 CB ILE A 6 -0.698 -24.581 11.409 1.00 0.00 C ATOM 106 CG1 ILE A 6 -1.368 -24.076 10.106 1.00 0.00 C ATOM 107 CG2 ILE A 6 -0.797 -26.118 11.432 1.00 0.00 C ATOM 108 CD1 ILE A 6 -0.683 -22.855 9.476 1.00 0.00 C ATOM 0 H ILE A 6 -0.417 -22.086 12.752 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.305 -24.390 12.768 1.00 0.00 H new ATOM 0 HB ILE A 6 0.342 -24.253 11.400 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -1.379 -24.888 9.379 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.407 -23.825 10.319 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.368 -26.524 10.516 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -0.250 -26.505 12.292 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -1.843 -26.414 11.505 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -1.215 -22.567 8.569 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.696 -22.026 10.183 1.00 0.00 H new ATOM 0 HD13 ILE A 6 0.349 -23.104 9.228 1.00 0.00 H new ATOM 120 N ILE A 7 -0.924 -25.369 14.661 1.00 0.00 N ATOM 121 CA ILE A 7 -0.267 -25.903 15.846 1.00 0.00 C ATOM 122 C ILE A 7 -0.084 -27.397 15.564 1.00 0.00 C ATOM 123 O ILE A 7 -0.985 -28.022 15.004 1.00 0.00 O ATOM 124 CB ILE A 7 -1.123 -25.639 17.111 1.00 0.00 C ATOM 125 CG1 ILE A 7 -1.607 -24.175 17.279 1.00 0.00 C ATOM 126 CG2 ILE A 7 -0.369 -26.091 18.376 1.00 0.00 C ATOM 127 CD1 ILE A 7 -0.501 -23.138 17.502 1.00 0.00 C ATOM 0 H ILE A 7 -1.771 -25.882 14.417 1.00 0.00 H new ATOM 0 HA ILE A 7 0.693 -25.426 16.043 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.026 -26.233 16.971 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.172 -23.893 16.391 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.296 -24.133 18.122 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.984 -25.898 19.255 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.154 -27.158 18.310 1.00 0.00 H new ATOM 0 HG23 ILE A 7 0.566 -25.537 18.460 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.946 -22.148 17.607 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.052 -23.385 18.408 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.178 -23.142 16.650 1.00 0.00 H new ATOM 139 N VAL A 8 1.067 -27.967 15.915 1.00 0.00 N ATOM 140 CA VAL A 8 1.457 -29.326 15.541 1.00 0.00 C ATOM 141 C VAL A 8 2.070 -30.001 16.769 1.00 0.00 C ATOM 142 O VAL A 8 2.773 -29.338 17.536 1.00 0.00 O ATOM 143 CB VAL A 8 2.470 -29.298 14.368 1.00 0.00 C ATOM 144 CG1 VAL A 8 2.422 -30.629 13.606 1.00 0.00 C ATOM 145 CG2 VAL A 8 2.269 -28.160 13.352 1.00 0.00 C ATOM 0 H VAL A 8 1.769 -27.488 16.479 1.00 0.00 H new ATOM 0 HA VAL A 8 0.584 -29.887 15.206 1.00 0.00 H new ATOM 0 HB VAL A 8 3.436 -29.125 14.842 1.00 0.00 H new ATOM 0 HG11 VAL A 8 3.136 -30.603 12.783 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.677 -31.445 14.282 1.00 0.00 H new ATOM 0 HG13 VAL A 8 1.418 -30.786 13.211 1.00 0.00 H new ATOM 0 HG21 VAL A 8 3.028 -28.230 12.573 1.00 0.00 H new ATOM 0 HG22 VAL A 8 1.279 -28.243 12.903 1.00 0.00 H new ATOM 0 HG23 VAL A 8 2.357 -27.199 13.859 1.00 0.00 H new ATOM 155 N ASP A 9 1.852 -31.306 16.940 1.00 0.00 N ATOM 156 CA ASP A 9 2.396 -32.110 18.033 1.00 0.00 C ATOM 157 C ASP A 9 2.853 -33.469 17.500 1.00 0.00 C ATOM 158 O ASP A 9 2.383 -33.915 16.449 1.00 0.00 O ATOM 159 CB ASP A 9 1.330 -32.319 19.118 1.00 0.00 C ATOM 160 CG ASP A 9 1.886 -33.031 20.365 1.00 0.00 C ATOM 161 OD1 ASP A 9 3.074 -32.838 20.707 1.00 0.00 O ATOM 162 OD2 ASP A 9 1.121 -33.770 21.026 1.00 0.00 O ATOM 0 H ASP A 9 1.273 -31.849 16.300 1.00 0.00 H new ATOM 0 HA ASP A 9 3.247 -31.584 18.465 1.00 0.00 H new ATOM 0 HB2 ASP A 9 0.919 -31.352 19.409 1.00 0.00 H new ATOM 0 HB3 ASP A 9 0.508 -32.904 18.706 1.00 0.00 H new ATOM 167 N GLY A 10 3.773 -34.119 18.212 1.00 0.00 N ATOM 168 CA GLY A 10 4.364 -35.403 17.862 1.00 0.00 C ATOM 169 C GLY A 10 5.871 -35.363 18.088 1.00 0.00 C ATOM 170 O GLY A 10 6.377 -34.507 18.819 1.00 0.00 O ATOM 0 H GLY A 10 4.141 -33.745 19.087 1.00 0.00 H new ATOM 0 HA2 GLY A 10 3.919 -36.194 18.465 1.00 0.00 H new ATOM 0 HA3 GLY A 10 4.151 -35.639 16.819 1.00 0.00 H new ATOM 174 N ARG A 11 6.612 -36.252 17.421 1.00 0.00 N ATOM 175 CA ARG A 11 8.042 -36.050 17.199 1.00 0.00 C ATOM 176 C ARG A 11 8.155 -34.982 16.115 1.00 0.00 C ATOM 177 O ARG A 11 8.250 -35.301 14.932 1.00 0.00 O ATOM 178 CB ARG A 11 8.734 -37.382 16.848 1.00 0.00 C ATOM 179 CG ARG A 11 10.229 -37.277 16.478 1.00 0.00 C ATOM 180 CD ARG A 11 11.092 -36.384 17.386 1.00 0.00 C ATOM 181 NE ARG A 11 11.045 -36.800 18.800 1.00 0.00 N ATOM 182 CZ ARG A 11 11.534 -36.106 19.837 1.00 0.00 C ATOM 183 NH1 ARG A 11 12.108 -34.917 19.663 1.00 0.00 N ATOM 184 NH2 ARG A 11 11.443 -36.614 21.062 1.00 0.00 N ATOM 0 H ARG A 11 6.243 -37.117 17.026 1.00 0.00 H new ATOM 0 HA ARG A 11 8.561 -35.706 18.094 1.00 0.00 H new ATOM 0 HB2 ARG A 11 8.634 -38.058 17.697 1.00 0.00 H new ATOM 0 HB3 ARG A 11 8.202 -37.839 16.013 1.00 0.00 H new ATOM 0 HG2 ARG A 11 10.654 -38.281 16.481 1.00 0.00 H new ATOM 0 HG3 ARG A 11 10.304 -36.902 15.457 1.00 0.00 H new ATOM 0 HD2 ARG A 11 12.125 -36.408 17.038 1.00 0.00 H new ATOM 0 HD3 ARG A 11 10.752 -35.352 17.303 1.00 0.00 H new ATOM 0 HE ARG A 11 10.601 -37.695 19.007 1.00 0.00 H new ATOM 0 HH11 ARG A 11 12.182 -34.518 18.727 1.00 0.00 H new ATOM 0 HH12 ARG A 11 12.474 -34.405 20.466 1.00 0.00 H new ATOM 0 HH21 ARG A 11 11.004 -37.524 21.206 1.00 0.00 H new ATOM 0 HH22 ARG A 11 11.812 -36.094 21.858 1.00 0.00 H new ATOM 198 N VAL A 12 8.081 -33.718 16.523 1.00 0.00 N ATOM 199 CA VAL A 12 8.046 -32.565 15.626 1.00 0.00 C ATOM 200 C VAL A 12 9.094 -31.518 16.036 1.00 0.00 C ATOM 201 O VAL A 12 9.019 -30.377 15.598 1.00 0.00 O ATOM 202 CB VAL A 12 6.607 -32.000 15.533 1.00 0.00 C ATOM 203 CG1 VAL A 12 5.640 -33.035 14.937 1.00 0.00 C ATOM 204 CG2 VAL A 12 6.041 -31.523 16.880 1.00 0.00 C ATOM 0 H VAL A 12 8.043 -33.460 17.509 1.00 0.00 H new ATOM 0 HA VAL A 12 8.320 -32.880 14.619 1.00 0.00 H new ATOM 0 HB VAL A 12 6.689 -31.132 14.879 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.638 -32.609 14.885 1.00 0.00 H new ATOM 0 HG12 VAL A 12 5.971 -33.308 13.935 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.624 -33.924 15.568 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.031 -31.141 16.735 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.016 -32.358 17.580 1.00 0.00 H new ATOM 0 HG23 VAL A 12 6.674 -30.732 17.281 1.00 0.00 H new ATOM 214 N GLN A 13 10.071 -31.888 16.873 1.00 0.00 N ATOM 215 CA GLN A 13 11.213 -31.046 17.213 1.00 0.00 C ATOM 216 C GLN A 13 12.464 -31.918 17.222 1.00 0.00 C ATOM 217 O GLN A 13 12.377 -33.124 17.487 1.00 0.00 O ATOM 218 CB GLN A 13 11.043 -30.397 18.595 1.00 0.00 C ATOM 219 CG GLN A 13 9.858 -29.425 18.697 1.00 0.00 C ATOM 220 CD GLN A 13 9.909 -28.553 19.959 1.00 0.00 C ATOM 221 OE1 GLN A 13 10.858 -28.569 20.741 1.00 0.00 O ATOM 222 NE2 GLN A 13 8.889 -27.746 20.190 1.00 0.00 N ATOM 0 H GLN A 13 10.086 -32.796 17.338 1.00 0.00 H new ATOM 0 HA GLN A 13 11.293 -30.248 16.475 1.00 0.00 H new ATOM 0 HB2 GLN A 13 10.918 -31.183 19.339 1.00 0.00 H new ATOM 0 HB3 GLN A 13 11.959 -29.862 18.847 1.00 0.00 H new ATOM 0 HG2 GLN A 13 9.845 -28.782 17.817 1.00 0.00 H new ATOM 0 HG3 GLN A 13 8.927 -29.992 18.691 1.00 0.00 H new ATOM 0 HE21 GLN A 13 8.098 -27.727 19.546 1.00 0.00 H new ATOM 0 HE22 GLN A 13 8.892 -27.142 21.012 1.00 0.00 H new ATOM 231 N GLY A 14 13.620 -31.304 16.990 1.00 0.00 N ATOM 232 CA GLY A 14 14.896 -31.993 16.918 1.00 0.00 C ATOM 233 C GLY A 14 14.990 -32.859 15.660 1.00 0.00 C ATOM 234 O GLY A 14 15.641 -33.907 15.695 1.00 0.00 O ATOM 0 H GLY A 14 13.693 -30.297 16.845 1.00 0.00 H new ATOM 0 HA2 GLY A 14 15.706 -31.264 16.921 1.00 0.00 H new ATOM 0 HA3 GLY A 14 15.025 -32.617 17.802 1.00 0.00 H new ATOM 238 N VAL A 15 14.323 -32.462 14.576 1.00 0.00 N ATOM 239 CA VAL A 15 14.157 -33.253 13.355 1.00 0.00 C ATOM 240 C VAL A 15 14.326 -32.402 12.086 1.00 0.00 C ATOM 241 O VAL A 15 14.434 -32.963 10.992 1.00 0.00 O ATOM 242 CB VAL A 15 12.803 -34.004 13.381 1.00 0.00 C ATOM 243 CG1 VAL A 15 12.823 -35.160 14.390 1.00 0.00 C ATOM 244 CG2 VAL A 15 11.592 -33.104 13.682 1.00 0.00 C ATOM 0 H VAL A 15 13.868 -31.551 14.521 1.00 0.00 H new ATOM 0 HA VAL A 15 14.953 -33.997 13.324 1.00 0.00 H new ATOM 0 HB VAL A 15 12.682 -34.388 12.368 1.00 0.00 H new ATOM 0 HG11 VAL A 15 11.858 -35.666 14.383 1.00 0.00 H new ATOM 0 HG12 VAL A 15 13.606 -35.868 14.117 1.00 0.00 H new ATOM 0 HG13 VAL A 15 13.020 -34.769 15.388 1.00 0.00 H new ATOM 0 HG21 VAL A 15 10.683 -33.705 13.682 1.00 0.00 H new ATOM 0 HG22 VAL A 15 11.719 -32.638 14.659 1.00 0.00 H new ATOM 0 HG23 VAL A 15 11.515 -32.330 12.918 1.00 0.00 H new ATOM 254 N GLY A 16 14.406 -31.077 12.207 1.00 0.00 N ATOM 255 CA GLY A 16 14.514 -30.137 11.110 1.00 0.00 C ATOM 256 C GLY A 16 13.153 -29.520 10.799 1.00 0.00 C ATOM 257 O GLY A 16 12.955 -29.073 9.668 1.00 0.00 O ATOM 0 H GLY A 16 14.396 -30.617 13.117 1.00 0.00 H new ATOM 0 HA2 GLY A 16 15.226 -29.352 11.365 1.00 0.00 H new ATOM 0 HA3 GLY A 16 14.901 -30.644 10.226 1.00 0.00 H new ATOM 261 N PHE A 17 12.202 -29.530 11.737 1.00 0.00 N ATOM 262 CA PHE A 17 10.832 -29.128 11.464 1.00 0.00 C ATOM 263 C PHE A 17 10.763 -27.649 11.091 1.00 0.00 C ATOM 264 O PHE A 17 10.053 -27.297 10.146 1.00 0.00 O ATOM 265 CB PHE A 17 9.913 -29.461 12.647 1.00 0.00 C ATOM 266 CG PHE A 17 8.475 -29.739 12.240 1.00 0.00 C ATOM 267 CD1 PHE A 17 7.594 -28.681 11.941 1.00 0.00 C ATOM 268 CD2 PHE A 17 8.018 -31.067 12.145 1.00 0.00 C ATOM 269 CE1 PHE A 17 6.271 -28.952 11.543 1.00 0.00 C ATOM 270 CE2 PHE A 17 6.695 -31.338 11.752 1.00 0.00 C ATOM 271 CZ PHE A 17 5.823 -30.281 11.442 1.00 0.00 C ATOM 0 H PHE A 17 12.366 -29.817 12.702 1.00 0.00 H new ATOM 0 HA PHE A 17 10.474 -29.698 10.607 1.00 0.00 H new ATOM 0 HB2 PHE A 17 10.309 -30.332 13.170 1.00 0.00 H new ATOM 0 HB3 PHE A 17 9.928 -28.631 13.353 1.00 0.00 H new ATOM 0 HD1 PHE A 17 7.935 -27.659 12.017 1.00 0.00 H new ATOM 0 HD2 PHE A 17 8.687 -31.883 12.375 1.00 0.00 H new ATOM 0 HE1 PHE A 17 5.599 -28.138 11.315 1.00 0.00 H new ATOM 0 HE2 PHE A 17 6.349 -32.359 11.689 1.00 0.00 H new ATOM 0 HZ PHE A 17 4.811 -30.489 11.127 1.00 0.00 H new ATOM 281 N ARG A 18 11.512 -26.766 11.763 1.00 0.00 N ATOM 282 CA ARG A 18 11.528 -25.349 11.391 1.00 0.00 C ATOM 283 C ARG A 18 12.044 -25.175 9.966 1.00 0.00 C ATOM 284 O ARG A 18 11.446 -24.421 9.198 1.00 0.00 O ATOM 285 CB ARG A 18 12.373 -24.551 12.393 1.00 0.00 C ATOM 286 CG ARG A 18 11.628 -24.361 13.724 1.00 0.00 C ATOM 287 CD ARG A 18 12.561 -23.904 14.848 1.00 0.00 C ATOM 288 NE ARG A 18 13.385 -25.011 15.349 1.00 0.00 N ATOM 289 CZ ARG A 18 14.268 -24.940 16.345 1.00 0.00 C ATOM 290 NH1 ARG A 18 14.590 -23.767 16.894 1.00 0.00 N ATOM 291 NH2 ARG A 18 14.817 -26.053 16.799 1.00 0.00 N ATOM 0 H ARG A 18 12.107 -27.005 12.556 1.00 0.00 H new ATOM 0 HA ARG A 18 10.509 -24.963 11.423 1.00 0.00 H new ATOM 0 HB2 ARG A 18 13.315 -25.069 12.572 1.00 0.00 H new ATOM 0 HB3 ARG A 18 12.620 -23.577 11.970 1.00 0.00 H new ATOM 0 HG2 ARG A 18 10.834 -23.626 13.592 1.00 0.00 H new ATOM 0 HG3 ARG A 18 11.151 -25.299 14.009 1.00 0.00 H new ATOM 0 HD2 ARG A 18 13.207 -23.105 14.484 1.00 0.00 H new ATOM 0 HD3 ARG A 18 11.971 -23.490 15.666 1.00 0.00 H new ATOM 0 HE ARG A 18 13.271 -25.917 14.894 1.00 0.00 H new ATOM 0 HH11 ARG A 18 14.159 -22.908 16.552 1.00 0.00 H new ATOM 0 HH12 ARG A 18 15.268 -23.729 17.656 1.00 0.00 H new ATOM 0 HH21 ARG A 18 14.564 -26.951 16.388 1.00 0.00 H new ATOM 0 HH22 ARG A 18 15.494 -26.014 17.561 1.00 0.00 H new ATOM 305 N TYR A 19 13.111 -25.885 9.589 1.00 0.00 N ATOM 306 CA TYR A 19 13.646 -25.821 8.234 1.00 0.00 C ATOM 307 C TYR A 19 12.633 -26.372 7.226 1.00 0.00 C ATOM 308 O TYR A 19 12.438 -25.769 6.172 1.00 0.00 O ATOM 309 CB TYR A 19 14.980 -26.574 8.148 1.00 0.00 C ATOM 310 CG TYR A 19 15.581 -26.560 6.754 1.00 0.00 C ATOM 311 CD1 TYR A 19 16.191 -25.390 6.263 1.00 0.00 C ATOM 312 CD2 TYR A 19 15.492 -27.701 5.933 1.00 0.00 C ATOM 313 CE1 TYR A 19 16.707 -25.356 4.955 1.00 0.00 C ATOM 314 CE2 TYR A 19 16.009 -27.677 4.626 1.00 0.00 C ATOM 315 CZ TYR A 19 16.618 -26.500 4.128 1.00 0.00 C ATOM 316 OH TYR A 19 17.121 -26.455 2.862 1.00 0.00 O ATOM 0 H TYR A 19 13.621 -26.513 10.210 1.00 0.00 H new ATOM 0 HA TYR A 19 13.831 -24.777 7.983 1.00 0.00 H new ATOM 0 HB2 TYR A 19 15.688 -26.129 8.847 1.00 0.00 H new ATOM 0 HB3 TYR A 19 14.829 -27.607 8.462 1.00 0.00 H new ATOM 0 HD1 TYR A 19 16.263 -24.516 6.893 1.00 0.00 H new ATOM 0 HD2 TYR A 19 15.024 -28.599 6.309 1.00 0.00 H new ATOM 0 HE1 TYR A 19 17.172 -24.455 4.582 1.00 0.00 H new ATOM 0 HE2 TYR A 19 15.942 -28.556 4.002 1.00 0.00 H new ATOM 0 HH TYR A 19 16.983 -27.321 2.424 1.00 0.00 H new ATOM 326 N PHE A 20 11.955 -27.478 7.547 1.00 0.00 N ATOM 327 CA PHE A 20 10.942 -28.067 6.684 1.00 0.00 C ATOM 328 C PHE A 20 9.821 -27.061 6.419 1.00 0.00 C ATOM 329 O PHE A 20 9.490 -26.808 5.262 1.00 0.00 O ATOM 330 CB PHE A 20 10.412 -29.364 7.312 1.00 0.00 C ATOM 331 CG PHE A 20 9.241 -29.977 6.569 1.00 0.00 C ATOM 332 CD1 PHE A 20 9.455 -30.665 5.358 1.00 0.00 C ATOM 333 CD2 PHE A 20 7.933 -29.844 7.076 1.00 0.00 C ATOM 334 CE1 PHE A 20 8.369 -31.229 4.667 1.00 0.00 C ATOM 335 CE2 PHE A 20 6.848 -30.400 6.377 1.00 0.00 C ATOM 336 CZ PHE A 20 7.065 -31.098 5.177 1.00 0.00 C ATOM 0 H PHE A 20 12.099 -27.988 8.419 1.00 0.00 H new ATOM 0 HA PHE A 20 11.386 -28.320 5.721 1.00 0.00 H new ATOM 0 HB2 PHE A 20 11.222 -30.092 7.355 1.00 0.00 H new ATOM 0 HB3 PHE A 20 10.111 -29.161 8.340 1.00 0.00 H new ATOM 0 HD1 PHE A 20 10.455 -30.759 4.960 1.00 0.00 H new ATOM 0 HD2 PHE A 20 7.764 -29.315 8.002 1.00 0.00 H new ATOM 0 HE1 PHE A 20 8.536 -31.763 3.744 1.00 0.00 H new ATOM 0 HE2 PHE A 20 5.845 -30.291 6.763 1.00 0.00 H new ATOM 0 HZ PHE A 20 6.231 -31.534 4.647 1.00 0.00 H new ATOM 346 N VAL A 21 9.276 -26.433 7.462 1.00 0.00 N ATOM 347 CA VAL A 21 8.232 -25.428 7.305 1.00 0.00 C ATOM 348 C VAL A 21 8.764 -24.233 6.496 1.00 0.00 C ATOM 349 O VAL A 21 8.055 -23.737 5.620 1.00 0.00 O ATOM 350 CB VAL A 21 7.677 -25.042 8.691 1.00 0.00 C ATOM 351 CG1 VAL A 21 6.633 -23.925 8.603 1.00 0.00 C ATOM 352 CG2 VAL A 21 6.982 -26.243 9.355 1.00 0.00 C ATOM 0 H VAL A 21 9.545 -26.607 8.430 1.00 0.00 H new ATOM 0 HA VAL A 21 7.396 -25.830 6.733 1.00 0.00 H new ATOM 0 HB VAL A 21 8.536 -24.707 9.273 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.270 -23.686 9.603 1.00 0.00 H new ATOM 0 HG12 VAL A 21 7.086 -23.038 8.160 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.799 -24.255 7.984 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.598 -25.947 10.331 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.156 -26.578 8.727 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.698 -27.056 9.477 1.00 0.00 H new ATOM 362 N GLN A 22 10.012 -23.806 6.722 1.00 0.00 N ATOM 363 CA GLN A 22 10.623 -22.710 5.981 1.00 0.00 C ATOM 364 C GLN A 22 10.646 -23.040 4.487 1.00 0.00 C ATOM 365 O GLN A 22 10.202 -22.220 3.683 1.00 0.00 O ATOM 366 CB GLN A 22 12.025 -22.424 6.547 1.00 0.00 C ATOM 367 CG GLN A 22 12.710 -21.214 5.897 1.00 0.00 C ATOM 368 CD GLN A 22 12.088 -19.858 6.241 1.00 0.00 C ATOM 369 OE1 GLN A 22 11.376 -19.694 7.225 1.00 0.00 O ATOM 370 NE2 GLN A 22 12.352 -18.845 5.436 1.00 0.00 N ATOM 0 H GLN A 22 10.624 -24.216 7.428 1.00 0.00 H new ATOM 0 HA GLN A 22 10.033 -21.801 6.097 1.00 0.00 H new ATOM 0 HB2 GLN A 22 11.947 -22.255 7.621 1.00 0.00 H new ATOM 0 HB3 GLN A 22 12.652 -23.305 6.408 1.00 0.00 H new ATOM 0 HG2 GLN A 22 13.758 -21.203 6.198 1.00 0.00 H new ATOM 0 HG3 GLN A 22 12.690 -21.342 4.815 1.00 0.00 H new ATOM 0 HE21 GLN A 22 12.945 -18.985 4.618 1.00 0.00 H new ATOM 0 HE22 GLN A 22 11.963 -17.923 5.632 1.00 0.00 H new ATOM 379 N MET A 23 11.124 -24.226 4.096 1.00 0.00 N ATOM 380 CA MET A 23 11.226 -24.558 2.676 1.00 0.00 C ATOM 381 C MET A 23 9.847 -24.817 2.063 1.00 0.00 C ATOM 382 O MET A 23 9.623 -24.463 0.907 1.00 0.00 O ATOM 383 CB MET A 23 12.209 -25.715 2.421 1.00 0.00 C ATOM 384 CG MET A 23 11.781 -27.064 3.011 1.00 0.00 C ATOM 385 SD MET A 23 12.923 -28.446 2.727 1.00 0.00 S ATOM 386 CE MET A 23 12.682 -28.719 0.949 1.00 0.00 C ATOM 0 H MET A 23 11.440 -24.958 4.732 1.00 0.00 H new ATOM 0 HA MET A 23 11.642 -23.688 2.168 1.00 0.00 H new ATOM 0 HB2 MET A 23 12.341 -25.830 1.345 1.00 0.00 H new ATOM 0 HB3 MET A 23 13.181 -25.445 2.835 1.00 0.00 H new ATOM 0 HG2 MET A 23 11.646 -26.943 4.086 1.00 0.00 H new ATOM 0 HG3 MET A 23 10.809 -27.329 2.596 1.00 0.00 H new ATOM 0 HE1 MET A 23 13.234 -29.606 0.639 1.00 0.00 H new ATOM 0 HE2 MET A 23 11.621 -28.862 0.743 1.00 0.00 H new ATOM 0 HE3 MET A 23 13.046 -27.853 0.395 1.00 0.00 H new ATOM 396 N GLU A 24 8.898 -25.382 2.817 1.00 0.00 N ATOM 397 CA GLU A 24 7.543 -25.630 2.335 1.00 0.00 C ATOM 398 C GLU A 24 6.773 -24.326 2.118 1.00 0.00 C ATOM 399 O GLU A 24 5.917 -24.270 1.229 1.00 0.00 O ATOM 400 CB GLU A 24 6.788 -26.531 3.331 1.00 0.00 C ATOM 401 CG GLU A 24 7.149 -28.021 3.216 1.00 0.00 C ATOM 402 CD GLU A 24 6.743 -28.619 1.863 1.00 0.00 C ATOM 403 OE1 GLU A 24 5.602 -28.376 1.412 1.00 0.00 O ATOM 404 OE2 GLU A 24 7.569 -29.281 1.198 1.00 0.00 O ATOM 0 H GLU A 24 9.052 -25.679 3.780 1.00 0.00 H new ATOM 0 HA GLU A 24 7.618 -26.135 1.372 1.00 0.00 H new ATOM 0 HB2 GLU A 24 7.000 -26.193 4.345 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.716 -26.413 3.173 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.223 -28.144 3.357 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.658 -28.574 4.017 1.00 0.00 H new ATOM 411 N ALA A 25 7.066 -23.283 2.899 1.00 0.00 N ATOM 412 CA ALA A 25 6.563 -21.945 2.639 1.00 0.00 C ATOM 413 C ALA A 25 7.265 -21.352 1.419 1.00 0.00 C ATOM 414 O ALA A 25 6.608 -20.769 0.553 1.00 0.00 O ATOM 415 CB ALA A 25 6.799 -21.057 3.862 1.00 0.00 C ATOM 0 H ALA A 25 7.658 -23.349 3.727 1.00 0.00 H new ATOM 0 HA ALA A 25 5.493 -21.998 2.439 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.420 -20.055 3.662 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.278 -21.477 4.723 1.00 0.00 H new ATOM 0 HB3 ALA A 25 7.867 -21.006 4.074 1.00 0.00 H new ATOM 421 N ASP A 26 8.590 -21.511 1.336 1.00 0.00 N ATOM 422 CA ASP A 26 9.423 -20.888 0.314 1.00 0.00 C ATOM 423 C ASP A 26 9.012 -21.345 -1.079 1.00 0.00 C ATOM 424 O ASP A 26 8.851 -20.517 -1.974 1.00 0.00 O ATOM 425 CB ASP A 26 10.903 -21.221 0.535 1.00 0.00 C ATOM 426 CG ASP A 26 11.772 -20.516 -0.518 1.00 0.00 C ATOM 427 OD1 ASP A 26 11.976 -19.287 -0.413 1.00 0.00 O ATOM 428 OD2 ASP A 26 12.277 -21.193 -1.441 1.00 0.00 O ATOM 0 H ASP A 26 9.118 -22.087 1.991 1.00 0.00 H new ATOM 0 HA ASP A 26 9.281 -19.810 0.394 1.00 0.00 H new ATOM 0 HB2 ASP A 26 11.207 -20.910 1.534 1.00 0.00 H new ATOM 0 HB3 ASP A 26 11.053 -22.299 0.477 1.00 0.00 H new ATOM 433 N LYS A 27 8.756 -22.648 -1.260 1.00 0.00 N ATOM 434 CA LYS A 27 8.389 -23.187 -2.571 1.00 0.00 C ATOM 435 C LYS A 27 6.970 -22.805 -3.017 1.00 0.00 C ATOM 436 O LYS A 27 6.588 -23.114 -4.145 1.00 0.00 O ATOM 437 CB LYS A 27 8.728 -24.685 -2.665 1.00 0.00 C ATOM 438 CG LYS A 27 7.993 -25.635 -1.707 1.00 0.00 C ATOM 439 CD LYS A 27 6.651 -26.155 -2.241 1.00 0.00 C ATOM 440 CE LYS A 27 6.116 -27.290 -1.359 1.00 0.00 C ATOM 441 NZ LYS A 27 6.932 -28.529 -1.411 1.00 0.00 N ATOM 0 H LYS A 27 8.797 -23.344 -0.516 1.00 0.00 H new ATOM 0 HA LYS A 27 9.012 -22.697 -3.319 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.527 -25.013 -3.685 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.799 -24.800 -2.498 1.00 0.00 H new ATOM 0 HG2 LYS A 27 8.639 -26.486 -1.491 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.820 -25.118 -0.763 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.927 -25.341 -2.272 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.775 -26.511 -3.264 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.067 -26.942 -0.327 1.00 0.00 H new ATOM 0 HE3 LYS A 27 5.097 -27.525 -1.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 6.318 -29.341 -1.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.655 -28.438 -2.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.396 -28.678 -0.492 1.00 0.00 H new ATOM 455 N ARG A 28 6.201 -22.103 -2.176 1.00 0.00 N ATOM 456 CA ARG A 28 4.916 -21.486 -2.508 1.00 0.00 C ATOM 457 C ARG A 28 4.989 -19.956 -2.422 1.00 0.00 C ATOM 458 O ARG A 28 3.977 -19.295 -2.656 1.00 0.00 O ATOM 459 CB ARG A 28 3.869 -22.026 -1.525 1.00 0.00 C ATOM 460 CG ARG A 28 3.400 -23.447 -1.857 1.00 0.00 C ATOM 461 CD ARG A 28 2.775 -24.079 -0.614 1.00 0.00 C ATOM 462 NE ARG A 28 2.485 -25.510 -0.821 1.00 0.00 N ATOM 463 CZ ARG A 28 3.045 -26.526 -0.152 1.00 0.00 C ATOM 464 NH1 ARG A 28 3.971 -26.309 0.775 1.00 0.00 N ATOM 465 NH2 ARG A 28 2.707 -27.780 -0.425 1.00 0.00 N ATOM 0 H ARG A 28 6.471 -21.944 -1.205 1.00 0.00 H new ATOM 0 HA ARG A 28 4.646 -21.735 -3.534 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.287 -22.015 -0.518 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.007 -21.359 -1.520 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.674 -23.422 -2.670 1.00 0.00 H new ATOM 0 HG3 ARG A 28 4.242 -24.049 -2.200 1.00 0.00 H new ATOM 0 HD2 ARG A 28 3.451 -23.963 0.233 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.854 -23.553 -0.361 1.00 0.00 H new ATOM 0 HE ARG A 28 1.798 -25.747 -1.536 1.00 0.00 H new ATOM 0 HH11 ARG A 28 4.267 -25.356 0.987 1.00 0.00 H new ATOM 0 HH12 ARG A 28 4.387 -27.095 1.275 1.00 0.00 H new ATOM 0 HH21 ARG A 28 2.016 -27.976 -1.149 1.00 0.00 H new ATOM 0 HH22 ARG A 28 3.138 -28.548 0.089 1.00 0.00 H new ATOM 479 N LYS A 29 6.151 -19.382 -2.079 1.00 0.00 N ATOM 480 CA LYS A 29 6.326 -17.973 -1.714 1.00 0.00 C ATOM 481 C LYS A 29 5.239 -17.493 -0.737 1.00 0.00 C ATOM 482 O LYS A 29 4.727 -16.378 -0.870 1.00 0.00 O ATOM 483 CB LYS A 29 6.474 -17.095 -2.976 1.00 0.00 C ATOM 484 CG LYS A 29 7.679 -17.499 -3.842 1.00 0.00 C ATOM 485 CD LYS A 29 7.836 -16.551 -5.040 1.00 0.00 C ATOM 486 CE LYS A 29 9.083 -16.863 -5.883 1.00 0.00 C ATOM 487 NZ LYS A 29 8.997 -18.163 -6.599 1.00 0.00 N ATOM 0 H LYS A 29 7.025 -19.907 -2.048 1.00 0.00 H new ATOM 0 HA LYS A 29 7.260 -17.870 -1.162 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.564 -17.166 -3.572 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.580 -16.052 -2.678 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.587 -17.483 -3.239 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.550 -18.522 -4.197 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.950 -16.619 -5.671 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.893 -15.524 -4.680 1.00 0.00 H new ATOM 0 HE2 LYS A 29 9.231 -16.064 -6.610 1.00 0.00 H new ATOM 0 HE3 LYS A 29 9.959 -16.870 -5.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.867 -18.315 -7.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.885 -18.933 -5.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 8.179 -18.152 -7.241 1.00 0.00 H new ATOM 501 N LEU A 30 4.863 -18.335 0.236 1.00 0.00 N ATOM 502 CA LEU A 30 4.044 -17.906 1.367 1.00 0.00 C ATOM 503 C LEU A 30 4.852 -16.918 2.214 1.00 0.00 C ATOM 504 O LEU A 30 6.080 -16.848 2.102 1.00 0.00 O ATOM 505 CB LEU A 30 3.619 -19.116 2.221 1.00 0.00 C ATOM 506 CG LEU A 30 2.638 -20.090 1.543 1.00 0.00 C ATOM 507 CD1 LEU A 30 2.329 -21.260 2.477 1.00 0.00 C ATOM 508 CD2 LEU A 30 1.313 -19.439 1.147 1.00 0.00 C ATOM 0 H LEU A 30 5.118 -19.322 0.257 1.00 0.00 H new ATOM 0 HA LEU A 30 3.140 -17.423 0.996 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.513 -19.669 2.508 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.163 -18.748 3.140 1.00 0.00 H new ATOM 0 HG LEU A 30 3.134 -20.427 0.633 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.634 -21.943 1.988 1.00 0.00 H new ATOM 0 HD12 LEU A 30 3.252 -21.790 2.714 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.880 -20.883 3.396 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.670 -20.181 0.675 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.821 -19.045 2.036 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.502 -18.625 0.447 1.00 0.00 H new ATOM 520 N ALA A 31 4.174 -16.198 3.107 1.00 0.00 N ATOM 521 CA ALA A 31 4.791 -15.299 4.074 1.00 0.00 C ATOM 522 C ALA A 31 4.241 -15.633 5.462 1.00 0.00 C ATOM 523 O ALA A 31 3.163 -16.221 5.552 1.00 0.00 O ATOM 524 CB ALA A 31 4.495 -13.853 3.669 1.00 0.00 C ATOM 0 H ALA A 31 3.157 -16.226 3.178 1.00 0.00 H new ATOM 0 HA ALA A 31 5.874 -15.421 4.097 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.953 -13.173 4.387 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.904 -13.662 2.677 1.00 0.00 H new ATOM 0 HB3 ALA A 31 3.417 -13.693 3.654 1.00 0.00 H new ATOM 530 N GLY A 32 4.972 -15.323 6.535 1.00 0.00 N ATOM 531 CA GLY A 32 4.606 -15.765 7.875 1.00 0.00 C ATOM 532 C GLY A 32 5.827 -16.119 8.718 1.00 0.00 C ATOM 533 O GLY A 32 6.933 -15.630 8.471 1.00 0.00 O ATOM 0 H GLY A 32 5.825 -14.764 6.497 1.00 0.00 H new ATOM 0 HA2 GLY A 32 4.038 -14.979 8.373 1.00 0.00 H new ATOM 0 HA3 GLY A 32 3.952 -16.634 7.803 1.00 0.00 H new ATOM 537 N TRP A 33 5.640 -16.965 9.729 1.00 0.00 N ATOM 538 CA TRP A 33 6.723 -17.444 10.566 1.00 0.00 C ATOM 539 C TRP A 33 6.419 -18.813 11.178 1.00 0.00 C ATOM 540 O TRP A 33 5.270 -19.262 11.189 1.00 0.00 O ATOM 541 CB TRP A 33 7.057 -16.395 11.642 1.00 0.00 C ATOM 542 CG TRP A 33 5.898 -15.834 12.414 1.00 0.00 C ATOM 543 CD1 TRP A 33 5.341 -14.618 12.222 1.00 0.00 C ATOM 544 CD2 TRP A 33 5.127 -16.450 13.491 1.00 0.00 C ATOM 545 NE1 TRP A 33 4.293 -14.436 13.100 1.00 0.00 N ATOM 546 CE2 TRP A 33 4.112 -15.537 13.909 1.00 0.00 C ATOM 547 CE3 TRP A 33 5.181 -17.693 14.155 1.00 0.00 C ATOM 548 CZ2 TRP A 33 3.199 -15.847 14.930 1.00 0.00 C ATOM 549 CZ3 TRP A 33 4.259 -18.021 15.163 1.00 0.00 C ATOM 550 CH2 TRP A 33 3.269 -17.103 15.554 1.00 0.00 C ATOM 0 H TRP A 33 4.725 -17.336 9.987 1.00 0.00 H new ATOM 0 HA TRP A 33 7.602 -17.585 9.937 1.00 0.00 H new ATOM 0 HB2 TRP A 33 7.754 -16.843 12.350 1.00 0.00 H new ATOM 0 HB3 TRP A 33 7.579 -15.568 11.161 1.00 0.00 H new ATOM 0 HD1 TRP A 33 5.668 -13.895 11.489 1.00 0.00 H new ATOM 0 HE1 TRP A 33 3.723 -13.591 13.145 1.00 0.00 H new ATOM 0 HE3 TRP A 33 5.945 -18.406 13.884 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 2.452 -15.128 15.232 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 4.311 -18.988 15.642 1.00 0.00 H new ATOM 0 HH2 TRP A 33 2.565 -17.363 16.331 1.00 0.00 H new ATOM 561 N VAL A 34 7.450 -19.450 11.740 1.00 0.00 N ATOM 562 CA VAL A 34 7.358 -20.706 12.484 1.00 0.00 C ATOM 563 C VAL A 34 8.245 -20.616 13.726 1.00 0.00 C ATOM 564 O VAL A 34 9.340 -20.055 13.652 1.00 0.00 O ATOM 565 CB VAL A 34 7.735 -21.890 11.562 1.00 0.00 C ATOM 566 CG1 VAL A 34 9.132 -21.781 10.918 1.00 0.00 C ATOM 567 CG2 VAL A 34 7.637 -23.240 12.291 1.00 0.00 C ATOM 0 H VAL A 34 8.404 -19.092 11.687 1.00 0.00 H new ATOM 0 HA VAL A 34 6.336 -20.882 12.821 1.00 0.00 H new ATOM 0 HB VAL A 34 6.999 -21.838 10.760 1.00 0.00 H new ATOM 0 HG11 VAL A 34 9.312 -22.653 10.289 1.00 0.00 H new ATOM 0 HG12 VAL A 34 9.183 -20.878 10.310 1.00 0.00 H new ATOM 0 HG13 VAL A 34 9.890 -21.735 11.700 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.910 -24.044 11.607 1.00 0.00 H new ATOM 0 HG22 VAL A 34 8.316 -23.243 13.144 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.616 -23.392 12.640 1.00 0.00 H new ATOM 577 N LYS A 35 7.810 -21.193 14.853 1.00 0.00 N ATOM 578 CA LYS A 35 8.646 -21.360 16.042 1.00 0.00 C ATOM 579 C LYS A 35 8.291 -22.653 16.771 1.00 0.00 C ATOM 580 O LYS A 35 7.140 -23.100 16.763 1.00 0.00 O ATOM 581 CB LYS A 35 8.607 -20.115 16.964 1.00 0.00 C ATOM 582 CG LYS A 35 7.284 -19.342 17.130 1.00 0.00 C ATOM 583 CD LYS A 35 6.115 -20.113 17.756 1.00 0.00 C ATOM 584 CE LYS A 35 6.378 -20.668 19.164 1.00 0.00 C ATOM 585 NZ LYS A 35 6.564 -19.605 20.181 1.00 0.00 N ATOM 0 H LYS A 35 6.864 -21.558 14.963 1.00 0.00 H new ATOM 0 HA LYS A 35 9.683 -21.448 15.717 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.928 -20.432 17.956 1.00 0.00 H new ATOM 0 HB3 LYS A 35 9.354 -19.411 16.596 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.478 -18.461 17.742 1.00 0.00 H new ATOM 0 HG3 LYS A 35 6.971 -18.986 16.148 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.247 -19.455 17.798 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.854 -20.942 17.099 1.00 0.00 H new ATOM 0 HE2 LYS A 35 5.543 -21.304 19.460 1.00 0.00 H new ATOM 0 HE3 LYS A 35 7.266 -21.299 19.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.518 -20.023 21.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 7.491 -19.154 20.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.814 -18.892 20.079 1.00 0.00 H new ATOM 599 N ASN A 36 9.288 -23.245 17.427 1.00 0.00 N ATOM 600 CA ASN A 36 9.090 -24.344 18.366 1.00 0.00 C ATOM 601 C ASN A 36 8.531 -23.729 19.647 1.00 0.00 C ATOM 602 O ASN A 36 9.053 -22.709 20.102 1.00 0.00 O ATOM 603 CB ASN A 36 10.439 -25.039 18.658 1.00 0.00 C ATOM 604 CG ASN A 36 10.897 -26.015 17.569 1.00 0.00 C ATOM 605 OD1 ASN A 36 10.320 -26.075 16.489 1.00 0.00 O ATOM 606 ND2 ASN A 36 11.944 -26.782 17.836 1.00 0.00 N ATOM 0 H ASN A 36 10.265 -22.971 17.319 1.00 0.00 H new ATOM 0 HA ASN A 36 8.410 -25.092 17.959 1.00 0.00 H new ATOM 0 HB2 ASN A 36 11.206 -24.276 18.791 1.00 0.00 H new ATOM 0 HB3 ASN A 36 10.359 -25.578 19.602 1.00 0.00 H new ATOM 0 HD21 ASN A 36 12.286 -27.440 17.136 1.00 0.00 H new ATOM 0 HD22 ASN A 36 12.408 -26.714 18.742 1.00 0.00 H new ATOM 613 N ARG A 37 7.494 -24.320 20.247 1.00 0.00 N ATOM 614 CA ARG A 37 7.114 -23.981 21.619 1.00 0.00 C ATOM 615 C ARG A 37 8.004 -24.798 22.551 1.00 0.00 C ATOM 616 O ARG A 37 8.270 -25.967 22.269 1.00 0.00 O ATOM 617 CB ARG A 37 5.631 -24.314 21.868 1.00 0.00 C ATOM 618 CG ARG A 37 4.660 -23.401 21.104 1.00 0.00 C ATOM 619 CD ARG A 37 3.213 -23.767 21.456 1.00 0.00 C ATOM 620 NE ARG A 37 2.254 -22.748 20.995 1.00 0.00 N ATOM 621 CZ ARG A 37 0.951 -22.707 21.305 1.00 0.00 C ATOM 622 NH1 ARG A 37 0.407 -23.648 22.075 1.00 0.00 N ATOM 623 NH2 ARG A 37 0.191 -21.722 20.842 1.00 0.00 N ATOM 0 H ARG A 37 6.908 -25.030 19.808 1.00 0.00 H new ATOM 0 HA ARG A 37 7.244 -22.914 21.798 1.00 0.00 H new ATOM 0 HB2 ARG A 37 5.446 -25.349 21.580 1.00 0.00 H new ATOM 0 HB3 ARG A 37 5.424 -24.238 22.936 1.00 0.00 H new ATOM 0 HG2 ARG A 37 4.852 -22.358 21.357 1.00 0.00 H new ATOM 0 HG3 ARG A 37 4.819 -23.503 20.031 1.00 0.00 H new ATOM 0 HD2 ARG A 37 2.963 -24.728 21.007 1.00 0.00 H new ATOM 0 HD3 ARG A 37 3.123 -23.887 22.536 1.00 0.00 H new ATOM 0 HE ARG A 37 2.612 -22.011 20.388 1.00 0.00 H new ATOM 0 HH11 ARG A 37 0.983 -24.409 22.435 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -0.586 -23.608 22.305 1.00 0.00 H new ATOM 0 HH21 ARG A 37 0.599 -20.998 20.251 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -0.801 -21.690 21.077 1.00 0.00 H new ATOM 637 N ASP A 38 8.411 -24.238 23.690 1.00 0.00 N ATOM 638 CA ASP A 38 9.177 -24.980 24.703 1.00 0.00 C ATOM 639 C ASP A 38 8.353 -26.125 25.310 1.00 0.00 C ATOM 640 O ASP A 38 8.902 -27.115 25.791 1.00 0.00 O ATOM 641 CB ASP A 38 9.656 -24.024 25.799 1.00 0.00 C ATOM 642 CG ASP A 38 10.447 -24.761 26.894 1.00 0.00 C ATOM 643 OD1 ASP A 38 11.599 -25.180 26.636 1.00 0.00 O ATOM 644 OD2 ASP A 38 9.942 -24.886 28.032 1.00 0.00 O ATOM 0 H ASP A 38 8.224 -23.267 23.939 1.00 0.00 H new ATOM 0 HA ASP A 38 10.042 -25.425 24.212 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.282 -23.249 25.357 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.797 -23.523 26.246 1.00 0.00 H new ATOM 649 N ASP A 39 7.026 -26.018 25.212 1.00 0.00 N ATOM 650 CA ASP A 39 6.054 -27.062 25.528 1.00 0.00 C ATOM 651 C ASP A 39 6.299 -28.364 24.744 1.00 0.00 C ATOM 652 O ASP A 39 5.984 -29.442 25.250 1.00 0.00 O ATOM 653 CB ASP A 39 4.657 -26.498 25.224 1.00 0.00 C ATOM 654 CG ASP A 39 3.608 -27.578 24.953 1.00 0.00 C ATOM 655 OD1 ASP A 39 3.521 -28.032 23.792 1.00 0.00 O ATOM 656 OD2 ASP A 39 2.800 -27.891 25.855 1.00 0.00 O ATOM 0 H ASP A 39 6.580 -25.157 24.894 1.00 0.00 H new ATOM 0 HA ASP A 39 6.150 -27.331 26.580 1.00 0.00 H new ATOM 0 HB2 ASP A 39 4.329 -25.888 26.066 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.721 -25.839 24.358 1.00 0.00 H new ATOM 661 N GLY A 40 6.875 -28.275 23.540 1.00 0.00 N ATOM 662 CA GLY A 40 7.142 -29.414 22.664 1.00 0.00 C ATOM 663 C GLY A 40 6.332 -29.363 21.367 1.00 0.00 C ATOM 664 O GLY A 40 6.768 -29.916 20.354 1.00 0.00 O ATOM 0 H GLY A 40 7.175 -27.385 23.141 1.00 0.00 H new ATOM 0 HA2 GLY A 40 8.205 -29.441 22.423 1.00 0.00 H new ATOM 0 HA3 GLY A 40 6.912 -30.338 23.195 1.00 0.00 H new ATOM 668 N ARG A 41 5.179 -28.682 21.355 1.00 0.00 N ATOM 669 CA ARG A 41 4.449 -28.382 20.128 1.00 0.00 C ATOM 670 C ARG A 41 5.272 -27.474 19.217 1.00 0.00 C ATOM 671 O ARG A 41 6.267 -26.870 19.623 1.00 0.00 O ATOM 672 CB ARG A 41 3.080 -27.762 20.478 1.00 0.00 C ATOM 673 CG ARG A 41 2.063 -28.857 20.836 1.00 0.00 C ATOM 674 CD ARG A 41 0.756 -28.295 21.406 1.00 0.00 C ATOM 675 NE ARG A 41 0.913 -27.934 22.821 1.00 0.00 N ATOM 676 CZ ARG A 41 -0.060 -27.557 23.658 1.00 0.00 C ATOM 677 NH1 ARG A 41 -1.298 -27.351 23.214 1.00 0.00 N ATOM 678 NH2 ARG A 41 0.221 -27.386 24.943 1.00 0.00 N ATOM 0 H ARG A 41 4.730 -28.326 22.199 1.00 0.00 H new ATOM 0 HA ARG A 41 4.271 -29.306 19.577 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.191 -27.074 21.316 1.00 0.00 H new ATOM 0 HB3 ARG A 41 2.712 -27.180 19.633 1.00 0.00 H new ATOM 0 HG2 ARG A 41 1.842 -29.445 19.945 1.00 0.00 H new ATOM 0 HG3 ARG A 41 2.508 -29.536 21.563 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.453 -27.418 20.834 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.038 -29.034 21.301 1.00 0.00 H new ATOM 0 HE ARG A 41 1.858 -27.975 23.203 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -1.513 -27.480 22.225 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -2.031 -27.064 23.862 1.00 0.00 H new ATOM 0 HH21 ARG A 41 1.170 -27.542 25.283 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -0.512 -27.099 25.591 1.00 0.00 H new ATOM 692 N VAL A 42 4.819 -27.322 17.984 1.00 0.00 N ATOM 693 CA VAL A 42 5.324 -26.341 17.032 1.00 0.00 C ATOM 694 C VAL A 42 4.132 -25.483 16.640 1.00 0.00 C ATOM 695 O VAL A 42 2.989 -25.946 16.669 1.00 0.00 O ATOM 696 CB VAL A 42 6.001 -27.049 15.838 1.00 0.00 C ATOM 697 CG1 VAL A 42 6.462 -26.081 14.735 1.00 0.00 C ATOM 698 CG2 VAL A 42 7.228 -27.820 16.327 1.00 0.00 C ATOM 0 H VAL A 42 4.066 -27.895 17.604 1.00 0.00 H new ATOM 0 HA VAL A 42 6.101 -25.705 17.456 1.00 0.00 H new ATOM 0 HB VAL A 42 5.248 -27.711 15.411 1.00 0.00 H new ATOM 0 HG11 VAL A 42 6.929 -26.645 13.927 1.00 0.00 H new ATOM 0 HG12 VAL A 42 5.602 -25.536 14.347 1.00 0.00 H new ATOM 0 HG13 VAL A 42 7.183 -25.375 15.148 1.00 0.00 H new ATOM 0 HG21 VAL A 42 7.704 -28.319 15.483 1.00 0.00 H new ATOM 0 HG22 VAL A 42 7.934 -27.127 16.785 1.00 0.00 H new ATOM 0 HG23 VAL A 42 6.921 -28.564 17.062 1.00 0.00 H new ATOM 708 N GLU A 43 4.395 -24.227 16.300 1.00 0.00 N ATOM 709 CA GLU A 43 3.375 -23.237 16.027 1.00 0.00 C ATOM 710 C GLU A 43 3.834 -22.409 14.828 1.00 0.00 C ATOM 711 O GLU A 43 5.019 -22.094 14.683 1.00 0.00 O ATOM 712 CB GLU A 43 3.164 -22.439 17.318 1.00 0.00 C ATOM 713 CG GLU A 43 2.416 -21.112 17.158 1.00 0.00 C ATOM 714 CD GLU A 43 2.096 -20.507 18.526 1.00 0.00 C ATOM 715 OE1 GLU A 43 2.959 -20.529 19.430 1.00 0.00 O ATOM 716 OE2 GLU A 43 0.944 -20.063 18.736 1.00 0.00 O ATOM 0 H GLU A 43 5.345 -23.867 16.206 1.00 0.00 H new ATOM 0 HA GLU A 43 2.408 -23.659 15.753 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.616 -23.062 18.024 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.138 -22.236 17.762 1.00 0.00 H new ATOM 0 HG2 GLU A 43 3.021 -20.415 16.578 1.00 0.00 H new ATOM 0 HG3 GLU A 43 1.493 -21.273 16.601 1.00 0.00 H new ATOM 723 N ILE A 44 2.884 -22.092 13.955 1.00 0.00 N ATOM 724 CA ILE A 44 3.099 -21.493 12.649 1.00 0.00 C ATOM 725 C ILE A 44 2.017 -20.425 12.489 1.00 0.00 C ATOM 726 O ILE A 44 0.880 -20.637 12.920 1.00 0.00 O ATOM 727 CB ILE A 44 2.957 -22.557 11.523 1.00 0.00 C ATOM 728 CG1 ILE A 44 3.561 -23.947 11.850 1.00 0.00 C ATOM 729 CG2 ILE A 44 3.553 -22.012 10.215 1.00 0.00 C ATOM 730 CD1 ILE A 44 3.413 -24.989 10.730 1.00 0.00 C ATOM 0 H ILE A 44 1.896 -22.255 14.151 1.00 0.00 H new ATOM 0 HA ILE A 44 4.102 -21.072 12.574 1.00 0.00 H new ATOM 0 HB ILE A 44 1.886 -22.732 11.420 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.620 -23.824 12.076 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.085 -24.332 12.752 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.451 -22.761 9.429 1.00 0.00 H new ATOM 0 HG22 ILE A 44 3.023 -21.105 9.923 1.00 0.00 H new ATOM 0 HG23 ILE A 44 4.608 -21.783 10.364 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.864 -25.930 11.046 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.356 -25.147 10.517 1.00 0.00 H new ATOM 0 HD13 ILE A 44 3.915 -24.631 9.831 1.00 0.00 H new ATOM 742 N LEU A 45 2.331 -19.333 11.800 1.00 0.00 N ATOM 743 CA LEU A 45 1.360 -18.382 11.276 1.00 0.00 C ATOM 744 C LEU A 45 1.777 -18.160 9.831 1.00 0.00 C ATOM 745 O LEU A 45 2.956 -17.917 9.578 1.00 0.00 O ATOM 746 CB LEU A 45 1.380 -17.100 12.124 1.00 0.00 C ATOM 747 CG LEU A 45 0.269 -16.077 11.802 1.00 0.00 C ATOM 748 CD1 LEU A 45 0.171 -15.073 12.957 1.00 0.00 C ATOM 749 CD2 LEU A 45 0.507 -15.281 10.508 1.00 0.00 C ATOM 0 H LEU A 45 3.295 -19.079 11.585 1.00 0.00 H new ATOM 0 HA LEU A 45 0.330 -18.735 11.318 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.301 -17.378 13.175 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.347 -16.614 11.995 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.646 -16.653 11.666 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.611 -14.345 12.741 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.070 -15.602 13.879 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.124 -14.558 13.073 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.317 -14.584 10.353 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.441 -14.726 10.589 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.565 -15.968 9.664 1.00 0.00 H new ATOM 761 N ALA A 46 0.848 -18.287 8.885 1.00 0.00 N ATOM 762 CA ALA A 46 1.137 -18.211 7.461 1.00 0.00 C ATOM 763 C ALA A 46 0.059 -17.387 6.768 1.00 0.00 C ATOM 764 O ALA A 46 -1.095 -17.378 7.202 1.00 0.00 O ATOM 765 CB ALA A 46 1.207 -19.630 6.882 1.00 0.00 C ATOM 0 H ALA A 46 -0.138 -18.447 9.092 1.00 0.00 H new ATOM 0 HA ALA A 46 2.098 -17.724 7.297 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.423 -19.577 5.815 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.996 -20.190 7.385 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.252 -20.133 7.034 1.00 0.00 H new ATOM 771 N GLU A 47 0.426 -16.733 5.672 1.00 0.00 N ATOM 772 CA GLU A 47 -0.438 -15.903 4.851 1.00 0.00 C ATOM 773 C GLU A 47 -0.142 -16.219 3.388 1.00 0.00 C ATOM 774 O GLU A 47 1.023 -16.379 3.004 1.00 0.00 O ATOM 775 CB GLU A 47 -0.213 -14.407 5.141 1.00 0.00 C ATOM 776 CG GLU A 47 -0.709 -14.030 6.543 1.00 0.00 C ATOM 777 CD GLU A 47 -0.705 -12.526 6.829 1.00 0.00 C ATOM 778 OE1 GLU A 47 0.305 -11.839 6.563 1.00 0.00 O ATOM 779 OE2 GLU A 47 -1.689 -12.035 7.422 1.00 0.00 O ATOM 0 H GLU A 47 1.382 -16.771 5.317 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.482 -16.118 5.080 1.00 0.00 H new ATOM 0 HB2 GLU A 47 0.848 -14.173 5.053 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.735 -13.807 4.395 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.723 -14.410 6.671 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.085 -14.531 7.283 1.00 0.00 H new ATOM 786 N GLY A 48 -1.197 -16.317 2.575 1.00 0.00 N ATOM 787 CA GLY A 48 -1.086 -16.661 1.161 1.00 0.00 C ATOM 788 C GLY A 48 -2.451 -16.926 0.531 1.00 0.00 C ATOM 789 O GLY A 48 -3.471 -16.731 1.197 1.00 0.00 O ATOM 0 H GLY A 48 -2.156 -16.158 2.884 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.591 -15.849 0.628 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.457 -17.545 1.051 1.00 0.00 H new ATOM 793 N PRO A 49 -2.502 -17.349 -0.742 1.00 0.00 N ATOM 794 CA PRO A 49 -3.742 -17.779 -1.371 1.00 0.00 C ATOM 795 C PRO A 49 -4.213 -19.089 -0.732 1.00 0.00 C ATOM 796 O PRO A 49 -3.416 -19.997 -0.488 1.00 0.00 O ATOM 797 CB PRO A 49 -3.422 -17.916 -2.863 1.00 0.00 C ATOM 798 CG PRO A 49 -1.921 -18.201 -2.896 1.00 0.00 C ATOM 799 CD PRO A 49 -1.376 -17.493 -1.654 1.00 0.00 C ATOM 0 HA PRO A 49 -4.561 -17.073 -1.236 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -3.992 -18.725 -3.321 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -3.667 -17.005 -3.409 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.718 -19.272 -2.865 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.463 -17.816 -3.807 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -0.575 -18.073 -1.195 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -0.957 -16.520 -1.913 1.00 0.00 H new ATOM 807 N GLU A 50 -5.519 -19.187 -0.479 1.00 0.00 N ATOM 808 CA GLU A 50 -6.160 -20.220 0.337 1.00 0.00 C ATOM 809 C GLU A 50 -5.816 -21.650 -0.119 1.00 0.00 C ATOM 810 O GLU A 50 -5.682 -22.546 0.716 1.00 0.00 O ATOM 811 CB GLU A 50 -7.676 -19.927 0.299 1.00 0.00 C ATOM 812 CG GLU A 50 -8.572 -20.943 1.019 1.00 0.00 C ATOM 813 CD GLU A 50 -10.049 -20.503 1.013 1.00 0.00 C ATOM 814 OE1 GLU A 50 -10.777 -20.837 0.049 1.00 0.00 O ATOM 815 OE2 GLU A 50 -10.500 -19.827 1.967 1.00 0.00 O ATOM 0 H GLU A 50 -6.190 -18.517 -0.855 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.787 -20.181 1.360 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -7.848 -18.944 0.738 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -7.989 -19.869 -0.743 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.480 -21.916 0.537 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -8.232 -21.064 2.048 1.00 0.00 H new ATOM 822 N ASN A 51 -5.651 -21.892 -1.425 1.00 0.00 N ATOM 823 CA ASN A 51 -5.321 -23.228 -1.932 1.00 0.00 C ATOM 824 C ASN A 51 -3.885 -23.630 -1.592 1.00 0.00 C ATOM 825 O ASN A 51 -3.638 -24.742 -1.121 1.00 0.00 O ATOM 826 CB ASN A 51 -5.531 -23.298 -3.451 1.00 0.00 C ATOM 827 CG ASN A 51 -5.148 -24.680 -3.978 1.00 0.00 C ATOM 828 OD1 ASN A 51 -5.813 -25.670 -3.689 1.00 0.00 O ATOM 829 ND2 ASN A 51 -4.075 -24.786 -4.745 1.00 0.00 N ATOM 0 H ASN A 51 -5.741 -21.180 -2.149 1.00 0.00 H new ATOM 0 HA ASN A 51 -5.994 -23.931 -1.440 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -6.573 -23.086 -3.691 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -4.929 -22.534 -3.943 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -3.792 -25.698 -5.103 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -3.531 -23.955 -4.978 1.00 0.00 H new ATOM 836 N ALA A 52 -2.932 -22.722 -1.814 1.00 0.00 N ATOM 837 CA ALA A 52 -1.527 -22.973 -1.501 1.00 0.00 C ATOM 838 C ALA A 52 -1.346 -23.076 0.011 1.00 0.00 C ATOM 839 O ALA A 52 -0.580 -23.912 0.484 1.00 0.00 O ATOM 840 CB ALA A 52 -0.644 -21.855 -2.064 1.00 0.00 C ATOM 0 H ALA A 52 -3.112 -21.800 -2.212 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.226 -23.914 -1.962 1.00 0.00 H new ATOM 0 HB1 ALA A 52 0.399 -22.058 -1.822 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.762 -21.808 -3.147 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.939 -20.902 -1.625 1.00 0.00 H new ATOM 846 N LEU A 53 -2.077 -22.252 0.765 1.00 0.00 N ATOM 847 CA LEU A 53 -2.055 -22.224 2.217 1.00 0.00 C ATOM 848 C LEU A 53 -2.504 -23.578 2.765 1.00 0.00 C ATOM 849 O LEU A 53 -1.801 -24.188 3.567 1.00 0.00 O ATOM 850 CB LEU A 53 -2.982 -21.085 2.672 1.00 0.00 C ATOM 851 CG LEU A 53 -2.742 -20.581 4.101 1.00 0.00 C ATOM 852 CD1 LEU A 53 -1.370 -19.918 4.266 1.00 0.00 C ATOM 853 CD2 LEU A 53 -3.831 -19.552 4.421 1.00 0.00 C ATOM 0 H LEU A 53 -2.718 -21.568 0.363 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.050 -22.043 2.597 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.867 -20.247 1.984 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.015 -21.424 2.592 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.773 -21.435 4.778 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.251 -19.579 5.295 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.587 -20.638 4.028 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.295 -19.065 3.592 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.688 -19.174 5.433 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.770 -18.726 3.713 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.811 -20.024 4.345 1.00 0.00 H new ATOM 865 N GLN A 54 -3.635 -24.094 2.274 1.00 0.00 N ATOM 866 CA GLN A 54 -4.109 -25.426 2.632 1.00 0.00 C ATOM 867 C GLN A 54 -3.090 -26.500 2.253 1.00 0.00 C ATOM 868 O GLN A 54 -2.820 -27.381 3.063 1.00 0.00 O ATOM 869 CB GLN A 54 -5.448 -25.707 1.946 1.00 0.00 C ATOM 870 CG GLN A 54 -6.613 -25.025 2.669 1.00 0.00 C ATOM 871 CD GLN A 54 -7.897 -25.169 1.860 1.00 0.00 C ATOM 872 OE1 GLN A 54 -8.775 -25.973 2.169 1.00 0.00 O ATOM 873 NE2 GLN A 54 -8.008 -24.414 0.782 1.00 0.00 N ATOM 0 H GLN A 54 -4.242 -23.599 1.620 1.00 0.00 H new ATOM 0 HA GLN A 54 -4.243 -25.457 3.713 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -5.407 -25.359 0.914 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -5.621 -26.783 1.913 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -6.746 -25.468 3.656 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -6.387 -23.969 2.821 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -7.268 -23.753 0.544 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -8.833 -24.491 0.188 1.00 0.00 H new ATOM 882 N SER A 55 -2.496 -26.424 1.061 1.00 0.00 N ATOM 883 CA SER A 55 -1.504 -27.404 0.618 1.00 0.00 C ATOM 884 C SER A 55 -0.265 -27.395 1.533 1.00 0.00 C ATOM 885 O SER A 55 0.288 -28.446 1.866 1.00 0.00 O ATOM 886 CB SER A 55 -1.133 -27.118 -0.844 1.00 0.00 C ATOM 887 OG SER A 55 -2.284 -27.088 -1.674 1.00 0.00 O ATOM 0 H SER A 55 -2.687 -25.688 0.381 1.00 0.00 H new ATOM 0 HA SER A 55 -1.931 -28.405 0.682 1.00 0.00 H new ATOM 0 HB2 SER A 55 -0.611 -26.163 -0.908 1.00 0.00 H new ATOM 0 HB3 SER A 55 -0.444 -27.883 -1.202 1.00 0.00 H new ATOM 0 HG SER A 55 -2.815 -26.291 -1.468 1.00 0.00 H new ATOM 893 N PHE A 56 0.145 -26.215 1.999 1.00 0.00 N ATOM 894 CA PHE A 56 1.184 -26.068 3.001 1.00 0.00 C ATOM 895 C PHE A 56 0.760 -26.757 4.300 1.00 0.00 C ATOM 896 O PHE A 56 1.564 -27.508 4.848 1.00 0.00 O ATOM 897 CB PHE A 56 1.500 -24.579 3.162 1.00 0.00 C ATOM 898 CG PHE A 56 2.297 -24.170 4.382 1.00 0.00 C ATOM 899 CD1 PHE A 56 3.704 -24.166 4.336 1.00 0.00 C ATOM 900 CD2 PHE A 56 1.634 -23.684 5.527 1.00 0.00 C ATOM 901 CE1 PHE A 56 4.440 -23.636 5.407 1.00 0.00 C ATOM 902 CE2 PHE A 56 2.373 -23.146 6.593 1.00 0.00 C ATOM 903 CZ PHE A 56 3.774 -23.101 6.522 1.00 0.00 C ATOM 0 H PHE A 56 -0.245 -25.327 1.683 1.00 0.00 H new ATOM 0 HA PHE A 56 2.106 -26.561 2.692 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.045 -24.252 2.277 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.557 -24.033 3.176 1.00 0.00 H new ATOM 0 HD1 PHE A 56 4.217 -24.571 3.476 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.556 -23.725 5.585 1.00 0.00 H new ATOM 0 HE1 PHE A 56 5.519 -23.639 5.374 1.00 0.00 H new ATOM 0 HE2 PHE A 56 1.864 -22.767 7.467 1.00 0.00 H new ATOM 0 HZ PHE A 56 4.341 -22.654 7.326 1.00 0.00 H new ATOM 913 N VAL A 57 -0.488 -26.606 4.769 1.00 0.00 N ATOM 914 CA VAL A 57 -0.932 -27.361 5.944 1.00 0.00 C ATOM 915 C VAL A 57 -0.884 -28.870 5.666 1.00 0.00 C ATOM 916 O VAL A 57 -0.423 -29.613 6.527 1.00 0.00 O ATOM 917 CB VAL A 57 -2.316 -26.926 6.474 1.00 0.00 C ATOM 918 CG1 VAL A 57 -2.591 -27.562 7.849 1.00 0.00 C ATOM 919 CG2 VAL A 57 -2.423 -25.408 6.652 1.00 0.00 C ATOM 0 H VAL A 57 -1.189 -25.985 4.364 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.229 -27.128 6.744 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.040 -27.257 5.729 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.570 -27.245 8.207 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.572 -28.648 7.758 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.825 -27.244 8.557 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -3.415 -25.155 7.026 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.669 -25.071 7.364 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -2.261 -24.917 5.693 1.00 0.00 H new ATOM 929 N GLU A 58 -1.305 -29.341 4.486 1.00 0.00 N ATOM 930 CA GLU A 58 -1.251 -30.763 4.123 1.00 0.00 C ATOM 931 C GLU A 58 0.181 -31.297 4.249 1.00 0.00 C ATOM 932 O GLU A 58 0.396 -32.404 4.742 1.00 0.00 O ATOM 933 CB GLU A 58 -1.794 -31.007 2.701 1.00 0.00 C ATOM 934 CG GLU A 58 -3.306 -30.797 2.544 1.00 0.00 C ATOM 935 CD GLU A 58 -4.121 -31.931 3.184 1.00 0.00 C ATOM 936 OE1 GLU A 58 -4.420 -31.843 4.394 1.00 0.00 O ATOM 937 OE2 GLU A 58 -4.477 -32.905 2.481 1.00 0.00 O ATOM 0 H GLU A 58 -1.694 -28.746 3.754 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.891 -31.305 4.819 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.276 -30.342 2.010 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.550 -32.027 2.404 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.588 -29.848 3.000 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.553 -30.728 1.485 1.00 0.00 H new ATOM 944 N ALA A 59 1.166 -30.489 3.854 1.00 0.00 N ATOM 945 CA ALA A 59 2.577 -30.821 3.994 1.00 0.00 C ATOM 946 C ALA A 59 3.002 -30.835 5.467 1.00 0.00 C ATOM 947 O ALA A 59 3.700 -31.756 5.896 1.00 0.00 O ATOM 948 CB ALA A 59 3.439 -29.848 3.186 1.00 0.00 C ATOM 0 H ALA A 59 1.001 -29.579 3.425 1.00 0.00 H new ATOM 0 HA ALA A 59 2.728 -31.825 3.598 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.490 -30.111 3.302 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.164 -29.907 2.133 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.277 -28.832 3.547 1.00 0.00 H new ATOM 954 N VAL A 60 2.559 -29.859 6.262 1.00 0.00 N ATOM 955 CA VAL A 60 2.806 -29.819 7.702 1.00 0.00 C ATOM 956 C VAL A 60 2.241 -31.075 8.378 1.00 0.00 C ATOM 957 O VAL A 60 2.862 -31.562 9.322 1.00 0.00 O ATOM 958 CB VAL A 60 2.270 -28.497 8.300 1.00 0.00 C ATOM 959 CG1 VAL A 60 2.328 -28.460 9.833 1.00 0.00 C ATOM 960 CG2 VAL A 60 3.089 -27.297 7.796 1.00 0.00 C ATOM 0 H VAL A 60 2.014 -29.068 5.920 1.00 0.00 H new ATOM 0 HA VAL A 60 3.879 -29.829 7.894 1.00 0.00 H new ATOM 0 HB VAL A 60 1.230 -28.440 7.977 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.938 -27.507 10.189 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.726 -29.273 10.240 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.361 -28.574 10.161 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.694 -26.379 8.230 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.131 -27.418 8.091 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.023 -27.242 6.709 1.00 0.00 H new ATOM 970 N LYS A 61 1.131 -31.658 7.893 1.00 0.00 N ATOM 971 CA LYS A 61 0.622 -32.914 8.452 1.00 0.00 C ATOM 972 C LYS A 61 1.640 -34.045 8.309 1.00 0.00 C ATOM 973 O LYS A 61 1.710 -34.903 9.188 1.00 0.00 O ATOM 974 CB LYS A 61 -0.709 -33.368 7.829 1.00 0.00 C ATOM 975 CG LYS A 61 -1.820 -32.312 7.801 1.00 0.00 C ATOM 976 CD LYS A 61 -3.207 -32.966 7.667 1.00 0.00 C ATOM 977 CE LYS A 61 -4.369 -32.007 7.967 1.00 0.00 C ATOM 978 NZ LYS A 61 -4.511 -30.927 6.962 1.00 0.00 N ATOM 0 H LYS A 61 0.577 -31.282 7.124 1.00 0.00 H new ATOM 0 HA LYS A 61 0.445 -32.700 9.506 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.518 -33.696 6.807 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.071 -34.236 8.380 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -1.782 -31.717 8.713 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.655 -31.629 6.968 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -3.320 -33.355 6.655 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -3.265 -33.818 8.345 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -5.298 -32.576 8.013 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -4.219 -31.562 8.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -5.289 -30.295 7.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -3.626 -30.383 6.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -4.717 -31.343 6.032 1.00 0.00 H new ATOM 992 N ASN A 62 2.410 -34.077 7.215 1.00 0.00 N ATOM 993 CA ASN A 62 3.464 -35.068 7.036 1.00 0.00 C ATOM 994 C ASN A 62 4.645 -34.757 7.954 1.00 0.00 C ATOM 995 O ASN A 62 5.196 -35.657 8.588 1.00 0.00 O ATOM 996 CB ASN A 62 3.939 -35.122 5.577 1.00 0.00 C ATOM 997 CG ASN A 62 4.867 -36.314 5.358 1.00 0.00 C ATOM 998 OD1 ASN A 62 4.410 -37.417 5.070 1.00 0.00 O ATOM 999 ND2 ASN A 62 6.173 -36.144 5.483 1.00 0.00 N ATOM 0 H ASN A 62 2.318 -33.421 6.439 1.00 0.00 H new ATOM 0 HA ASN A 62 3.051 -36.043 7.296 1.00 0.00 H new ATOM 0 HB2 ASN A 62 3.079 -35.197 4.911 1.00 0.00 H new ATOM 0 HB3 ASN A 62 4.459 -34.198 5.324 1.00 0.00 H new ATOM 0 HD21 ASN A 62 6.806 -36.931 5.340 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.547 -35.226 5.722 1.00 0.00 H new ATOM 1006 N GLY A 63 5.017 -33.478 8.029 1.00 0.00 N ATOM 1007 CA GLY A 63 6.234 -33.032 8.688 1.00 0.00 C ATOM 1008 C GLY A 63 7.470 -33.391 7.860 1.00 0.00 C ATOM 1009 O GLY A 63 7.359 -33.911 6.743 1.00 0.00 O ATOM 0 H GLY A 63 4.470 -32.717 7.627 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.195 -31.953 8.840 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.307 -33.491 9.674 1.00 0.00 H new ATOM 1013 N SER A 64 8.650 -33.100 8.406 1.00 0.00 N ATOM 1014 CA SER A 64 9.931 -33.452 7.800 1.00 0.00 C ATOM 1015 C SER A 64 10.062 -34.981 7.654 1.00 0.00 C ATOM 1016 O SER A 64 9.370 -35.723 8.358 1.00 0.00 O ATOM 1017 CB SER A 64 11.106 -32.875 8.621 1.00 0.00 C ATOM 1018 OG SER A 64 10.691 -31.999 9.656 1.00 0.00 O ATOM 0 H SER A 64 8.743 -32.606 9.294 1.00 0.00 H new ATOM 0 HA SER A 64 9.968 -33.011 6.804 1.00 0.00 H new ATOM 0 HB2 SER A 64 11.674 -33.697 9.056 1.00 0.00 H new ATOM 0 HB3 SER A 64 11.780 -32.341 7.951 1.00 0.00 H new ATOM 0 HG SER A 64 10.328 -32.522 10.401 1.00 0.00 H new ATOM 1024 N PRO A 65 10.984 -35.485 6.808 1.00 0.00 N ATOM 1025 CA PRO A 65 11.224 -36.920 6.637 1.00 0.00 C ATOM 1026 C PRO A 65 11.468 -37.686 7.946 1.00 0.00 C ATOM 1027 O PRO A 65 11.105 -38.859 8.051 1.00 0.00 O ATOM 1028 CB PRO A 65 12.439 -37.025 5.709 1.00 0.00 C ATOM 1029 CG PRO A 65 12.376 -35.736 4.893 1.00 0.00 C ATOM 1030 CD PRO A 65 11.821 -34.721 5.891 1.00 0.00 C ATOM 0 HA PRO A 65 10.330 -37.388 6.225 1.00 0.00 H new ATOM 0 HB2 PRO A 65 13.369 -37.098 6.272 1.00 0.00 H new ATOM 0 HB3 PRO A 65 12.382 -37.907 5.071 1.00 0.00 H new ATOM 0 HG2 PRO A 65 13.359 -35.443 4.525 1.00 0.00 H new ATOM 0 HG3 PRO A 65 11.728 -35.841 4.023 1.00 0.00 H new ATOM 0 HD2 PRO A 65 12.626 -34.216 6.425 1.00 0.00 H new ATOM 0 HD3 PRO A 65 11.242 -33.949 5.383 1.00 0.00 H new ATOM 1038 N PHE A 66 12.077 -37.028 8.937 1.00 0.00 N ATOM 1039 CA PHE A 66 12.438 -37.624 10.222 1.00 0.00 C ATOM 1040 C PHE A 66 11.364 -37.397 11.297 1.00 0.00 C ATOM 1041 O PHE A 66 11.466 -37.963 12.388 1.00 0.00 O ATOM 1042 CB PHE A 66 13.789 -37.047 10.676 1.00 0.00 C ATOM 1043 CG PHE A 66 14.895 -37.157 9.640 1.00 0.00 C ATOM 1044 CD1 PHE A 66 15.457 -38.413 9.338 1.00 0.00 C ATOM 1045 CD2 PHE A 66 15.342 -36.011 8.952 1.00 0.00 C ATOM 1046 CE1 PHE A 66 16.457 -38.522 8.356 1.00 0.00 C ATOM 1047 CE2 PHE A 66 16.341 -36.122 7.969 1.00 0.00 C ATOM 1048 CZ PHE A 66 16.899 -37.377 7.670 1.00 0.00 C ATOM 0 H PHE A 66 12.337 -36.045 8.864 1.00 0.00 H new ATOM 0 HA PHE A 66 12.516 -38.703 10.088 1.00 0.00 H new ATOM 0 HB2 PHE A 66 13.654 -35.997 10.936 1.00 0.00 H new ATOM 0 HB3 PHE A 66 14.104 -37.562 11.583 1.00 0.00 H new ATOM 0 HD1 PHE A 66 15.119 -39.295 9.862 1.00 0.00 H new ATOM 0 HD2 PHE A 66 14.916 -35.045 9.180 1.00 0.00 H new ATOM 0 HE1 PHE A 66 16.886 -39.486 8.128 1.00 0.00 H new ATOM 0 HE2 PHE A 66 16.680 -35.242 7.443 1.00 0.00 H new ATOM 0 HZ PHE A 66 17.666 -37.462 6.914 1.00 0.00 H new ATOM 1058 N SER A 67 10.357 -36.562 11.030 1.00 0.00 N ATOM 1059 CA SER A 67 9.297 -36.241 11.970 1.00 0.00 C ATOM 1060 C SER A 67 8.258 -37.366 12.030 1.00 0.00 C ATOM 1061 O SER A 67 8.169 -38.213 11.136 1.00 0.00 O ATOM 1062 CB SER A 67 8.635 -34.926 11.540 1.00 0.00 C ATOM 1063 OG SER A 67 9.625 -33.957 11.227 1.00 0.00 O ATOM 0 H SER A 67 10.260 -36.084 10.134 1.00 0.00 H new ATOM 0 HA SER A 67 9.723 -36.131 12.967 1.00 0.00 H new ATOM 0 HB2 SER A 67 7.997 -35.098 10.673 1.00 0.00 H new ATOM 0 HB3 SER A 67 7.993 -34.555 12.339 1.00 0.00 H new ATOM 0 HG SER A 67 10.498 -34.265 11.550 1.00 0.00 H new ATOM 1069 N LYS A 68 7.418 -37.322 13.064 1.00 0.00 N ATOM 1070 CA LYS A 68 6.182 -38.088 13.170 1.00 0.00 C ATOM 1071 C LYS A 68 5.186 -37.195 13.894 1.00 0.00 C ATOM 1072 O LYS A 68 5.180 -37.134 15.123 1.00 0.00 O ATOM 1073 CB LYS A 68 6.418 -39.439 13.879 1.00 0.00 C ATOM 1074 CG LYS A 68 5.139 -40.261 14.130 1.00 0.00 C ATOM 1075 CD LYS A 68 4.341 -40.584 12.858 1.00 0.00 C ATOM 1076 CE LYS A 68 3.111 -41.428 13.218 1.00 0.00 C ATOM 1077 NZ LYS A 68 2.292 -41.768 12.028 1.00 0.00 N ATOM 0 H LYS A 68 7.588 -36.731 13.878 1.00 0.00 H new ATOM 0 HA LYS A 68 5.789 -38.358 12.190 1.00 0.00 H new ATOM 0 HB2 LYS A 68 7.106 -40.035 13.279 1.00 0.00 H new ATOM 0 HB3 LYS A 68 6.908 -39.253 14.834 1.00 0.00 H new ATOM 0 HG2 LYS A 68 5.411 -41.195 14.622 1.00 0.00 H new ATOM 0 HG3 LYS A 68 4.497 -39.713 14.819 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.030 -39.661 12.368 1.00 0.00 H new ATOM 0 HD3 LYS A 68 4.970 -41.124 12.150 1.00 0.00 H new ATOM 0 HE2 LYS A 68 3.434 -42.346 13.708 1.00 0.00 H new ATOM 0 HE3 LYS A 68 2.497 -40.883 13.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 1.473 -42.338 12.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 1.960 -40.893 11.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 2.868 -42.311 11.354 1.00 0.00 H new ATOM 1091 N VAL A 69 4.390 -36.454 13.129 1.00 0.00 N ATOM 1092 CA VAL A 69 3.239 -35.731 13.655 1.00 0.00 C ATOM 1093 C VAL A 69 2.273 -36.768 14.245 1.00 0.00 C ATOM 1094 O VAL A 69 2.104 -37.852 13.676 1.00 0.00 O ATOM 1095 CB VAL A 69 2.594 -34.914 12.514 1.00 0.00 C ATOM 1096 CG1 VAL A 69 1.350 -34.136 12.969 1.00 0.00 C ATOM 1097 CG2 VAL A 69 3.593 -33.915 11.902 1.00 0.00 C ATOM 0 H VAL A 69 4.526 -36.338 12.125 1.00 0.00 H new ATOM 0 HA VAL A 69 3.521 -35.027 14.438 1.00 0.00 H new ATOM 0 HB VAL A 69 2.293 -35.648 11.767 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.939 -33.581 12.126 1.00 0.00 H new ATOM 0 HG12 VAL A 69 0.601 -34.834 13.343 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.626 -33.440 13.762 1.00 0.00 H new ATOM 0 HG21 VAL A 69 3.106 -33.357 11.102 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.933 -33.223 12.672 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.448 -34.457 11.498 1.00 0.00 H new ATOM 1107 N THR A 70 1.612 -36.428 15.350 1.00 0.00 N ATOM 1108 CA THR A 70 0.588 -37.253 15.981 1.00 0.00 C ATOM 1109 C THR A 70 -0.727 -36.477 16.139 1.00 0.00 C ATOM 1110 O THR A 70 -1.788 -37.098 16.230 1.00 0.00 O ATOM 1111 CB THR A 70 1.108 -37.786 17.328 1.00 0.00 C ATOM 1112 OG1 THR A 70 1.467 -36.710 18.172 1.00 0.00 O ATOM 1113 CG2 THR A 70 2.342 -38.678 17.148 1.00 0.00 C ATOM 0 H THR A 70 1.779 -35.550 15.842 1.00 0.00 H new ATOM 0 HA THR A 70 0.372 -38.107 15.339 1.00 0.00 H new ATOM 0 HB THR A 70 0.303 -38.373 17.770 1.00 0.00 H new ATOM 0 HG1 THR A 70 1.795 -37.060 19.027 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.679 -39.034 18.122 1.00 0.00 H new ATOM 0 HG22 THR A 70 2.086 -39.530 16.518 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.140 -38.105 16.676 1.00 0.00 H new ATOM 1121 N ASP A 71 -0.691 -35.139 16.111 1.00 0.00 N ATOM 1122 CA ASP A 71 -1.873 -34.279 16.146 1.00 0.00 C ATOM 1123 C ASP A 71 -1.533 -32.929 15.513 1.00 0.00 C ATOM 1124 O ASP A 71 -0.369 -32.519 15.501 1.00 0.00 O ATOM 1125 CB ASP A 71 -2.346 -34.083 17.596 1.00 0.00 C ATOM 1126 CG ASP A 71 -3.597 -33.194 17.679 1.00 0.00 C ATOM 1127 OD1 ASP A 71 -4.562 -33.436 16.919 1.00 0.00 O ATOM 1128 OD2 ASP A 71 -3.628 -32.269 18.520 1.00 0.00 O ATOM 0 H ASP A 71 0.183 -34.615 16.062 1.00 0.00 H new ATOM 0 HA ASP A 71 -2.679 -34.749 15.583 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -2.561 -35.054 18.041 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -1.543 -33.635 18.182 1.00 0.00 H new ATOM 1133 N ILE A 72 -2.541 -32.240 14.981 1.00 0.00 N ATOM 1134 CA ILE A 72 -2.412 -30.945 14.328 1.00 0.00 C ATOM 1135 C ILE A 72 -3.750 -30.205 14.495 1.00 0.00 C ATOM 1136 O ILE A 72 -4.810 -30.840 14.510 1.00 0.00 O ATOM 1137 CB ILE A 72 -1.982 -31.145 12.850 1.00 0.00 C ATOM 1138 CG1 ILE A 72 -1.607 -29.798 12.195 1.00 0.00 C ATOM 1139 CG2 ILE A 72 -3.021 -31.933 12.022 1.00 0.00 C ATOM 1140 CD1 ILE A 72 -1.158 -29.909 10.734 1.00 0.00 C ATOM 0 H ILE A 72 -3.502 -32.583 14.995 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.633 -30.331 14.780 1.00 0.00 H new ATOM 0 HB ILE A 72 -1.087 -31.767 12.860 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.467 -29.130 12.249 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.807 -29.336 12.774 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.664 -32.040 10.998 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -3.164 -32.920 12.462 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -3.969 -31.395 12.021 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -0.914 -28.918 10.352 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.278 -30.549 10.671 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.963 -30.339 10.138 1.00 0.00 H new ATOM 1152 N SER A 73 -3.704 -28.877 14.590 1.00 0.00 N ATOM 1153 CA SER A 73 -4.862 -28.000 14.736 1.00 0.00 C ATOM 1154 C SER A 73 -4.636 -26.746 13.890 1.00 0.00 C ATOM 1155 O SER A 73 -3.487 -26.368 13.643 1.00 0.00 O ATOM 1156 CB SER A 73 -5.051 -27.623 16.214 1.00 0.00 C ATOM 1157 OG SER A 73 -5.166 -28.770 17.043 1.00 0.00 O ATOM 0 H SER A 73 -2.823 -28.363 14.566 1.00 0.00 H new ATOM 0 HA SER A 73 -5.763 -28.511 14.396 1.00 0.00 H new ATOM 0 HB2 SER A 73 -4.206 -27.019 16.545 1.00 0.00 H new ATOM 0 HB3 SER A 73 -5.944 -27.007 16.320 1.00 0.00 H new ATOM 0 HG SER A 73 -5.283 -28.490 17.975 1.00 0.00 H new ATOM 1163 N VAL A 74 -5.717 -26.094 13.458 1.00 0.00 N ATOM 1164 CA VAL A 74 -5.685 -24.940 12.564 1.00 0.00 C ATOM 1165 C VAL A 74 -6.694 -23.907 13.080 1.00 0.00 C ATOM 1166 O VAL A 74 -7.762 -24.268 13.585 1.00 0.00 O ATOM 1167 CB VAL A 74 -6.006 -25.374 11.109 1.00 0.00 C ATOM 1168 CG1 VAL A 74 -5.867 -24.213 10.109 1.00 0.00 C ATOM 1169 CG2 VAL A 74 -5.106 -26.521 10.621 1.00 0.00 C ATOM 0 H VAL A 74 -6.663 -26.363 13.729 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.690 -24.495 12.551 1.00 0.00 H new ATOM 0 HB VAL A 74 -7.042 -25.712 11.144 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -6.102 -24.567 9.105 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -6.555 -23.413 10.382 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.845 -23.835 10.130 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -5.374 -26.784 9.598 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -4.064 -26.204 10.653 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -5.241 -27.389 11.266 1.00 0.00 H new ATOM 1179 N THR A 75 -6.362 -22.630 12.912 1.00 0.00 N ATOM 1180 CA THR A 75 -7.235 -21.479 13.106 1.00 0.00 C ATOM 1181 C THR A 75 -7.012 -20.567 11.888 1.00 0.00 C ATOM 1182 O THR A 75 -5.995 -20.699 11.199 1.00 0.00 O ATOM 1183 CB THR A 75 -6.892 -20.780 14.443 1.00 0.00 C ATOM 1184 OG1 THR A 75 -6.658 -21.717 15.483 1.00 0.00 O ATOM 1185 CG2 THR A 75 -7.999 -19.837 14.929 1.00 0.00 C ATOM 0 H THR A 75 -5.424 -22.357 12.620 1.00 0.00 H new ATOM 0 HA THR A 75 -8.287 -21.757 13.172 1.00 0.00 H new ATOM 0 HB THR A 75 -5.991 -20.205 14.228 1.00 0.00 H new ATOM 0 HG1 THR A 75 -6.443 -21.239 16.311 1.00 0.00 H new ATOM 0 HG21 THR A 75 -7.698 -19.378 15.871 1.00 0.00 H new ATOM 0 HG22 THR A 75 -8.168 -19.060 14.184 1.00 0.00 H new ATOM 0 HG23 THR A 75 -8.919 -20.402 15.078 1.00 0.00 H new ATOM 1193 N GLU A 76 -7.927 -19.642 11.597 1.00 0.00 N ATOM 1194 CA GLU A 76 -7.817 -18.752 10.446 1.00 0.00 C ATOM 1195 C GLU A 76 -8.319 -17.352 10.789 1.00 0.00 C ATOM 1196 O GLU A 76 -9.071 -17.167 11.752 1.00 0.00 O ATOM 1197 CB GLU A 76 -8.562 -19.346 9.233 1.00 0.00 C ATOM 1198 CG GLU A 76 -10.092 -19.384 9.358 1.00 0.00 C ATOM 1199 CD GLU A 76 -10.743 -19.910 8.066 1.00 0.00 C ATOM 1200 OE1 GLU A 76 -10.865 -19.136 7.090 1.00 0.00 O ATOM 1201 OE2 GLU A 76 -11.157 -21.093 8.030 1.00 0.00 O ATOM 0 H GLU A 76 -8.767 -19.490 12.156 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.765 -18.660 10.177 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -8.300 -18.767 8.347 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -8.202 -20.361 9.068 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -10.375 -20.020 10.196 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -10.467 -18.384 9.576 1.00 0.00 H new ATOM 1208 N SER A 77 -7.940 -16.394 9.945 1.00 0.00 N ATOM 1209 CA SER A 77 -8.455 -15.036 9.922 1.00 0.00 C ATOM 1210 C SER A 77 -8.601 -14.677 8.449 1.00 0.00 C ATOM 1211 O SER A 77 -7.646 -14.821 7.685 1.00 0.00 O ATOM 1212 CB SER A 77 -7.480 -14.068 10.612 1.00 0.00 C ATOM 1213 OG SER A 77 -7.256 -14.428 11.967 1.00 0.00 O ATOM 0 H SER A 77 -7.233 -16.556 9.228 1.00 0.00 H new ATOM 0 HA SER A 77 -9.403 -14.962 10.455 1.00 0.00 H new ATOM 0 HB2 SER A 77 -6.531 -14.062 10.075 1.00 0.00 H new ATOM 0 HB3 SER A 77 -7.879 -13.055 10.565 1.00 0.00 H new ATOM 0 HG SER A 77 -6.631 -13.793 12.375 1.00 0.00 H new ATOM 1219 N ARG A 78 -9.793 -14.235 8.032 1.00 0.00 N ATOM 1220 CA ARG A 78 -9.961 -13.698 6.681 1.00 0.00 C ATOM 1221 C ARG A 78 -9.246 -12.342 6.580 1.00 0.00 C ATOM 1222 O ARG A 78 -8.762 -11.988 5.505 1.00 0.00 O ATOM 1223 CB ARG A 78 -11.449 -13.597 6.285 1.00 0.00 C ATOM 1224 CG ARG A 78 -12.327 -14.830 6.587 1.00 0.00 C ATOM 1225 CD ARG A 78 -11.807 -16.163 6.031 1.00 0.00 C ATOM 1226 NE ARG A 78 -11.887 -16.259 4.561 1.00 0.00 N ATOM 1227 CZ ARG A 78 -11.566 -17.347 3.843 1.00 0.00 C ATOM 1228 NH1 ARG A 78 -11.177 -18.483 4.409 1.00 0.00 N ATOM 1229 NH2 ARG A 78 -11.605 -17.325 2.518 1.00 0.00 N ATOM 0 H ARG A 78 -10.640 -14.238 8.600 1.00 0.00 H new ATOM 0 HA ARG A 78 -9.506 -14.387 5.969 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -11.881 -12.737 6.797 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -11.504 -13.392 5.216 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -12.432 -14.923 7.668 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -13.324 -14.652 6.184 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -10.770 -16.297 6.340 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -12.379 -16.979 6.472 1.00 0.00 H new ATOM 0 HE ARG A 78 -12.211 -15.437 4.052 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -11.114 -18.551 5.425 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -10.942 -19.288 3.828 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -11.882 -16.473 2.030 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -11.358 -18.160 1.987 1.00 0.00 H new ATOM 1243 N SER A 79 -9.158 -11.603 7.693 1.00 0.00 N ATOM 1244 CA SER A 79 -8.312 -10.430 7.850 1.00 0.00 C ATOM 1245 C SER A 79 -6.835 -10.843 7.788 1.00 0.00 C ATOM 1246 O SER A 79 -6.493 -12.006 8.008 1.00 0.00 O ATOM 1247 CB SER A 79 -8.631 -9.761 9.195 1.00 0.00 C ATOM 1248 OG SER A 79 -10.034 -9.593 9.360 1.00 0.00 O ATOM 0 H SER A 79 -9.695 -11.819 8.533 1.00 0.00 H new ATOM 0 HA SER A 79 -8.504 -9.721 7.044 1.00 0.00 H new ATOM 0 HB2 SER A 79 -8.235 -10.367 10.010 1.00 0.00 H new ATOM 0 HB3 SER A 79 -8.136 -8.791 9.250 1.00 0.00 H new ATOM 0 HG SER A 79 -10.213 -9.167 10.224 1.00 0.00 H new ATOM 1254 N LEU A 80 -5.958 -9.876 7.526 1.00 0.00 N ATOM 1255 CA LEU A 80 -4.539 -10.097 7.242 1.00 0.00 C ATOM 1256 C LEU A 80 -3.688 -9.130 8.059 1.00 0.00 C ATOM 1257 O LEU A 80 -4.178 -8.103 8.537 1.00 0.00 O ATOM 1258 CB LEU A 80 -4.256 -9.857 5.745 1.00 0.00 C ATOM 1259 CG LEU A 80 -5.064 -10.728 4.768 1.00 0.00 C ATOM 1260 CD1 LEU A 80 -4.814 -10.254 3.334 1.00 0.00 C ATOM 1261 CD2 LEU A 80 -4.712 -12.214 4.888 1.00 0.00 C ATOM 0 H LEU A 80 -6.220 -8.891 7.504 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.290 -11.125 7.505 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.455 -8.809 5.519 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.195 -10.026 5.562 1.00 0.00 H new ATOM 0 HG LEU A 80 -6.118 -10.620 5.024 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.387 -10.871 2.642 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.125 -9.214 3.235 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.752 -10.339 3.103 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -5.308 -12.788 4.178 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.653 -12.356 4.671 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.924 -12.557 5.901 1.00 0.00 H new ATOM 1273 N GLU A 81 -2.395 -9.429 8.148 1.00 0.00 N ATOM 1274 CA GLU A 81 -1.374 -8.592 8.774 1.00 0.00 C ATOM 1275 C GLU A 81 -0.292 -8.206 7.757 1.00 0.00 C ATOM 1276 O GLU A 81 0.370 -7.180 7.932 1.00 0.00 O ATOM 1277 CB GLU A 81 -0.788 -9.316 9.995 1.00 0.00 C ATOM 1278 CG GLU A 81 -1.810 -9.385 11.139 1.00 0.00 C ATOM 1279 CD GLU A 81 -1.287 -10.230 12.306 1.00 0.00 C ATOM 1280 OE1 GLU A 81 -1.535 -11.455 12.298 1.00 0.00 O ATOM 1281 OE2 GLU A 81 -0.655 -9.680 13.238 1.00 0.00 O ATOM 0 H GLU A 81 -2.014 -10.297 7.771 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.828 -7.664 9.121 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -0.484 -10.324 9.713 1.00 0.00 H new ATOM 0 HB3 GLU A 81 0.108 -8.797 10.334 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -2.035 -8.378 11.489 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -2.743 -9.810 10.770 1.00 0.00 H new ATOM 1288 N GLY A 82 -0.166 -8.952 6.656 1.00 0.00 N ATOM 1289 CA GLY A 82 0.579 -8.527 5.480 1.00 0.00 C ATOM 1290 C GLY A 82 2.075 -8.780 5.633 1.00 0.00 C ATOM 1291 O GLY A 82 2.877 -7.876 5.388 1.00 0.00 O ATOM 0 H GLY A 82 -0.585 -9.877 6.561 1.00 0.00 H new ATOM 0 HA2 GLY A 82 0.209 -9.059 4.604 1.00 0.00 H new ATOM 0 HA3 GLY A 82 0.406 -7.465 5.305 1.00 0.00 H new ATOM 1295 N HIS A 83 2.458 -9.987 6.059 1.00 0.00 N ATOM 1296 CA HIS A 83 3.841 -10.442 6.005 1.00 0.00 C ATOM 1297 C HIS A 83 4.321 -10.434 4.542 1.00 0.00 C ATOM 1298 O HIS A 83 3.508 -10.533 3.616 1.00 0.00 O ATOM 1299 CB HIS A 83 3.941 -11.848 6.617 1.00 0.00 C ATOM 1300 CG HIS A 83 3.532 -11.939 8.068 1.00 0.00 C ATOM 1301 ND1 HIS A 83 2.242 -11.983 8.541 1.00 0.00 N ATOM 1302 CD2 HIS A 83 4.360 -12.036 9.156 1.00 0.00 C ATOM 1303 CE1 HIS A 83 2.284 -12.096 9.877 1.00 0.00 C ATOM 1304 NE2 HIS A 83 3.560 -12.133 10.305 1.00 0.00 N ATOM 0 H HIS A 83 1.813 -10.674 6.451 1.00 0.00 H new ATOM 0 HA HIS A 83 4.481 -9.774 6.581 1.00 0.00 H new ATOM 0 HB2 HIS A 83 3.318 -12.527 6.035 1.00 0.00 H new ATOM 0 HB3 HIS A 83 4.969 -12.198 6.521 1.00 0.00 H new ATOM 0 HD1 HIS A 83 1.396 -11.937 7.973 1.00 0.00 H new ATOM 0 HD2 HIS A 83 5.440 -12.038 9.133 1.00 0.00 H new ATOM 0 HE1 HIS A 83 1.417 -12.150 10.519 1.00 0.00 H new ATOM 1312 N HIS A 84 5.638 -10.346 4.316 1.00 0.00 N ATOM 1313 CA HIS A 84 6.238 -10.290 2.972 1.00 0.00 C ATOM 1314 C HIS A 84 7.377 -11.308 2.785 1.00 0.00 C ATOM 1315 O HIS A 84 7.879 -11.469 1.671 1.00 0.00 O ATOM 1316 CB HIS A 84 6.727 -8.859 2.672 1.00 0.00 C ATOM 1317 CG HIS A 84 5.646 -7.816 2.487 1.00 0.00 C ATOM 1318 ND1 HIS A 84 4.284 -8.021 2.434 1.00 0.00 N ATOM 1319 CD2 HIS A 84 5.852 -6.477 2.290 1.00 0.00 C ATOM 1320 CE1 HIS A 84 3.686 -6.835 2.232 1.00 0.00 C ATOM 1321 NE2 HIS A 84 4.605 -5.855 2.130 1.00 0.00 N ATOM 0 H HIS A 84 6.326 -10.311 5.068 1.00 0.00 H new ATOM 0 HA HIS A 84 5.461 -10.564 2.259 1.00 0.00 H new ATOM 0 HB2 HIS A 84 7.377 -8.540 3.487 1.00 0.00 H new ATOM 0 HB3 HIS A 84 7.337 -8.886 1.769 1.00 0.00 H new ATOM 0 HD1 HIS A 84 3.811 -8.919 2.531 1.00 0.00 H new ATOM 0 HD2 HIS A 84 6.812 -5.983 2.262 1.00 0.00 H new ATOM 0 HE1 HIS A 84 2.618 -6.688 2.161 1.00 0.00 H new ATOM 1329 N ARG A 85 7.780 -12.015 3.846 1.00 0.00 N ATOM 1330 CA ARG A 85 8.764 -13.098 3.832 1.00 0.00 C ATOM 1331 C ARG A 85 8.267 -14.166 4.802 1.00 0.00 C ATOM 1332 O ARG A 85 7.332 -13.901 5.567 1.00 0.00 O ATOM 1333 CB ARG A 85 10.151 -12.580 4.267 1.00 0.00 C ATOM 1334 CG ARG A 85 10.771 -11.578 3.277 1.00 0.00 C ATOM 1335 CD ARG A 85 12.196 -11.171 3.679 1.00 0.00 C ATOM 1336 NE ARG A 85 12.236 -10.450 4.966 1.00 0.00 N ATOM 1337 CZ ARG A 85 12.016 -9.140 5.154 1.00 0.00 C ATOM 1338 NH1 ARG A 85 11.731 -8.342 4.127 1.00 0.00 N ATOM 1339 NH2 ARG A 85 12.083 -8.633 6.380 1.00 0.00 N ATOM 0 H ARG A 85 7.411 -11.838 4.780 1.00 0.00 H new ATOM 0 HA ARG A 85 8.872 -13.506 2.827 1.00 0.00 H new ATOM 0 HB2 ARG A 85 10.063 -12.105 5.244 1.00 0.00 H new ATOM 0 HB3 ARG A 85 10.826 -13.428 4.384 1.00 0.00 H new ATOM 0 HG2 ARG A 85 10.788 -12.018 2.280 1.00 0.00 H new ATOM 0 HG3 ARG A 85 10.143 -10.689 3.222 1.00 0.00 H new ATOM 0 HD2 ARG A 85 12.820 -12.062 3.746 1.00 0.00 H new ATOM 0 HD3 ARG A 85 12.624 -10.541 2.900 1.00 0.00 H new ATOM 0 HE ARG A 85 12.453 -11.003 5.795 1.00 0.00 H new ATOM 0 HH11 ARG A 85 11.678 -8.725 3.183 1.00 0.00 H new ATOM 0 HH12 ARG A 85 11.566 -7.348 4.284 1.00 0.00 H new ATOM 0 HH21 ARG A 85 12.301 -9.239 7.171 1.00 0.00 H new ATOM 0 HH22 ARG A 85 11.917 -7.638 6.530 1.00 0.00 H new ATOM 1353 N PHE A 86 8.877 -15.350 4.799 1.00 0.00 N ATOM 1354 CA PHE A 86 8.617 -16.371 5.802 1.00 0.00 C ATOM 1355 C PHE A 86 9.864 -16.493 6.675 1.00 0.00 C ATOM 1356 O PHE A 86 10.971 -16.480 6.126 1.00 0.00 O ATOM 1357 CB PHE A 86 8.231 -17.698 5.144 1.00 0.00 C ATOM 1358 CG PHE A 86 7.347 -18.536 6.048 1.00 0.00 C ATOM 1359 CD1 PHE A 86 7.896 -19.275 7.111 1.00 0.00 C ATOM 1360 CD2 PHE A 86 5.951 -18.517 5.867 1.00 0.00 C ATOM 1361 CE1 PHE A 86 7.055 -19.974 7.993 1.00 0.00 C ATOM 1362 CE2 PHE A 86 5.110 -19.205 6.755 1.00 0.00 C ATOM 1363 CZ PHE A 86 5.663 -19.930 7.822 1.00 0.00 C ATOM 0 H PHE A 86 9.566 -15.625 4.099 1.00 0.00 H new ATOM 0 HA PHE A 86 7.769 -16.091 6.427 1.00 0.00 H new ATOM 0 HB2 PHE A 86 7.711 -17.502 4.207 1.00 0.00 H new ATOM 0 HB3 PHE A 86 9.133 -18.258 4.897 1.00 0.00 H new ATOM 0 HD1 PHE A 86 8.967 -19.305 7.250 1.00 0.00 H new ATOM 0 HD2 PHE A 86 5.525 -17.969 5.039 1.00 0.00 H new ATOM 0 HE1 PHE A 86 7.481 -20.546 8.804 1.00 0.00 H new ATOM 0 HE2 PHE A 86 4.039 -19.177 6.618 1.00 0.00 H new ATOM 0 HZ PHE A 86 5.017 -20.454 8.511 1.00 0.00 H new ATOM 1373 N SER A 87 9.707 -16.617 7.996 1.00 0.00 N ATOM 1374 CA SER A 87 10.846 -16.606 8.917 1.00 0.00 C ATOM 1375 C SER A 87 10.775 -17.723 9.964 1.00 0.00 C ATOM 1376 O SER A 87 9.729 -17.972 10.568 1.00 0.00 O ATOM 1377 CB SER A 87 10.908 -15.238 9.614 1.00 0.00 C ATOM 1378 OG SER A 87 10.933 -14.175 8.670 1.00 0.00 O ATOM 0 H SER A 87 8.801 -16.726 8.452 1.00 0.00 H new ATOM 0 HA SER A 87 11.748 -16.783 8.332 1.00 0.00 H new ATOM 0 HB2 SER A 87 10.046 -15.123 10.271 1.00 0.00 H new ATOM 0 HB3 SER A 87 11.797 -15.189 10.243 1.00 0.00 H new ATOM 0 HG SER A 87 10.971 -13.318 9.144 1.00 0.00 H new ATOM 1384 N ILE A 88 11.916 -18.349 10.252 1.00 0.00 N ATOM 1385 CA ILE A 88 12.086 -19.125 11.474 1.00 0.00 C ATOM 1386 C ILE A 88 12.238 -18.106 12.611 1.00 0.00 C ATOM 1387 O ILE A 88 12.900 -17.075 12.452 1.00 0.00 O ATOM 1388 CB ILE A 88 13.299 -20.077 11.343 1.00 0.00 C ATOM 1389 CG1 ILE A 88 13.076 -21.074 10.179 1.00 0.00 C ATOM 1390 CG2 ILE A 88 13.538 -20.838 12.661 1.00 0.00 C ATOM 1391 CD1 ILE A 88 14.337 -21.843 9.770 1.00 0.00 C ATOM 0 H ILE A 88 12.739 -18.332 9.650 1.00 0.00 H new ATOM 0 HA ILE A 88 11.233 -19.772 11.677 1.00 0.00 H new ATOM 0 HB ILE A 88 14.184 -19.478 11.127 1.00 0.00 H new ATOM 0 HG12 ILE A 88 12.305 -21.788 10.468 1.00 0.00 H new ATOM 0 HG13 ILE A 88 12.698 -20.529 9.314 1.00 0.00 H new ATOM 0 HG21 ILE A 88 14.395 -21.502 12.548 1.00 0.00 H new ATOM 0 HG22 ILE A 88 13.734 -20.125 13.462 1.00 0.00 H new ATOM 0 HG23 ILE A 88 12.654 -21.426 12.907 1.00 0.00 H new ATOM 0 HD11 ILE A 88 14.100 -22.521 8.950 1.00 0.00 H new ATOM 0 HD12 ILE A 88 15.104 -21.139 9.449 1.00 0.00 H new ATOM 0 HD13 ILE A 88 14.705 -22.417 10.620 1.00 0.00 H new ATOM 1403 N VAL A 89 11.634 -18.403 13.756 1.00 0.00 N ATOM 1404 CA VAL A 89 11.600 -17.578 14.955 1.00 0.00 C ATOM 1405 C VAL A 89 11.953 -18.502 16.132 1.00 0.00 C ATOM 1406 O VAL A 89 11.828 -19.728 16.036 1.00 0.00 O ATOM 1407 CB VAL A 89 10.201 -16.907 15.044 1.00 0.00 C ATOM 1408 CG1 VAL A 89 9.933 -16.173 16.368 1.00 0.00 C ATOM 1409 CG2 VAL A 89 10.008 -15.889 13.905 1.00 0.00 C ATOM 0 H VAL A 89 11.125 -19.279 13.878 1.00 0.00 H new ATOM 0 HA VAL A 89 12.320 -16.759 14.956 1.00 0.00 H new ATOM 0 HB VAL A 89 9.497 -17.736 14.969 1.00 0.00 H new ATOM 0 HG11 VAL A 89 8.935 -15.734 16.345 1.00 0.00 H new ATOM 0 HG12 VAL A 89 10.000 -16.879 17.196 1.00 0.00 H new ATOM 0 HG13 VAL A 89 10.673 -15.384 16.503 1.00 0.00 H new ATOM 0 HG21 VAL A 89 9.022 -15.432 13.988 1.00 0.00 H new ATOM 0 HG22 VAL A 89 10.773 -15.116 13.975 1.00 0.00 H new ATOM 0 HG23 VAL A 89 10.093 -16.397 12.944 1.00 0.00 H new ATOM 1419 N TYR A 90 12.410 -17.913 17.241 1.00 0.00 N ATOM 1420 CA TYR A 90 12.908 -18.637 18.412 1.00 0.00 C ATOM 1421 C TYR A 90 12.240 -18.152 19.711 1.00 0.00 C ATOM 1422 O TYR A 90 12.461 -18.743 20.771 1.00 0.00 O ATOM 1423 CB TYR A 90 14.439 -18.492 18.477 1.00 0.00 C ATOM 1424 CG TYR A 90 15.169 -18.982 17.234 1.00 0.00 C ATOM 1425 CD1 TYR A 90 15.580 -20.326 17.140 1.00 0.00 C ATOM 1426 CD2 TYR A 90 15.423 -18.099 16.164 1.00 0.00 C ATOM 1427 CE1 TYR A 90 16.232 -20.789 15.983 1.00 0.00 C ATOM 1428 CE2 TYR A 90 16.067 -18.557 15.001 1.00 0.00 C ATOM 1429 CZ TYR A 90 16.475 -19.907 14.905 1.00 0.00 C ATOM 1430 OH TYR A 90 17.105 -20.369 13.787 1.00 0.00 O ATOM 0 H TYR A 90 12.444 -16.900 17.351 1.00 0.00 H new ATOM 0 HA TYR A 90 12.651 -19.691 18.311 1.00 0.00 H new ATOM 0 HB2 TYR A 90 14.686 -17.443 18.639 1.00 0.00 H new ATOM 0 HB3 TYR A 90 14.808 -19.044 19.342 1.00 0.00 H new ATOM 0 HD1 TYR A 90 15.394 -21.004 17.960 1.00 0.00 H new ATOM 0 HD2 TYR A 90 15.121 -17.065 16.238 1.00 0.00 H new ATOM 0 HE1 TYR A 90 16.548 -21.820 15.918 1.00 0.00 H new ATOM 0 HE2 TYR A 90 16.250 -17.878 14.182 1.00 0.00 H new ATOM 0 HH TYR A 90 17.196 -19.640 13.138 1.00 0.00 H new ATOM 1440 N SER A 91 11.428 -17.091 19.644 1.00 0.00 N ATOM 1441 CA SER A 91 10.610 -16.598 20.741 1.00 0.00 C ATOM 1442 C SER A 91 9.639 -17.694 21.183 1.00 0.00 C ATOM 1443 O SER A 91 8.956 -18.270 20.309 1.00 0.00 O ATOM 1444 CB SER A 91 9.853 -15.342 20.289 1.00 0.00 C ATOM 1445 OG SER A 91 10.739 -14.422 19.659 1.00 0.00 O ATOM 1446 OXT SER A 91 9.549 -17.959 22.399 1.00 0.00 O ATOM 0 H SER A 91 11.324 -16.538 18.793 1.00 0.00 H new ATOM 0 HA SER A 91 11.242 -16.333 21.589 1.00 0.00 H new ATOM 0 HB2 SER A 91 9.057 -15.620 19.598 1.00 0.00 H new ATOM 0 HB3 SER A 91 9.379 -14.868 21.148 1.00 0.00 H new ATOM 0 HG SER A 91 10.239 -13.628 19.376 1.00 0.00 H new TER 1452 SER A 91 HETATM 1453 P PO4 A 92 13.824 -28.609 14.814 1.00 0.00 P HETATM 1454 O1 PO4 A 92 13.234 -29.881 14.377 1.00 0.00 O HETATM 1455 O2 PO4 A 92 13.260 -27.487 14.048 1.00 0.00 O HETATM 1456 O3 PO4 A 92 13.556 -28.405 16.248 1.00 0.00 O HETATM 1457 O4 PO4 A 92 15.282 -28.643 14.617 1.00 0.00 O