USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 857 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 173:sc= 0 (180deg=-0.0464) USER MOD Single : A 1 MET N :NH3+ 169:sc=-0.00768 (180deg=-0.145) USER MOD Single : A 6 ASN : amide:sc= -0.165 X(o=-0.16,f=0) USER MOD Single : A 18 THR OG1 : rot 62:sc= -0.0209 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot -88:sc= -3.13! USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 SER OG : rot 33:sc= 0.121 USER MOD Single : A 48 ASN : amide:sc= -1.57 K(o=-1.6,f=-6.8!) USER MOD Single : A 50 SER OG : rot 180:sc= 0.00345 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -0.861 X(o=-0.86,f=-0.83) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot -107:sc= 0.515 USER MOD Single : A 64 SER OG : rot 180:sc= -0.414 USER MOD Single : A 69 THR OG1 : rot -15:sc= 0.753 USER MOD Single : A 74 GLN : amide:sc= -0.0294 K(o=-0.029,f=-1) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= -1.22 USER MOD Single : A 87 ASN : amide:sc= -2.95! C(o=-3!,f=-8.1!) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 65:sc= 1.26 USER MOD Single : A 101 CYS SG : rot 180:sc= 0 USER MOD Single : A 102 HIS : no HD1:sc= -0.36 X(o=-0.36,f=-0.19) USER MOD Single : A 114 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -30.156 -21.083 -25.155 1.00 0.00 N ATOM 2 CA MET A 1 -30.938 -22.101 -24.406 1.00 0.00 C ATOM 3 C MET A 1 -30.366 -23.499 -24.612 1.00 0.00 C ATOM 4 O MET A 1 -31.105 -24.482 -24.663 1.00 0.00 O ATOM 5 CB MET A 1 -32.390 -22.050 -24.888 1.00 0.00 C ATOM 6 CG MET A 1 -33.404 -22.340 -23.794 1.00 0.00 C ATOM 7 SD MET A 1 -33.258 -21.212 -22.394 1.00 0.00 S ATOM 8 CE MET A 1 -33.948 -19.715 -23.093 1.00 0.00 C ATOM 0 H1 MET A 1 -30.669 -20.178 -25.150 1.00 0.00 H new ATOM 0 H2 MET A 1 -29.228 -20.957 -24.703 1.00 0.00 H new ATOM 0 H3 MET A 1 -30.023 -21.400 -26.136 1.00 0.00 H new ATOM 0 HA MET A 1 -30.885 -21.879 -23.340 1.00 0.00 H new ATOM 0 HB2 MET A 1 -32.591 -21.064 -25.306 1.00 0.00 H new ATOM 0 HB3 MET A 1 -32.522 -22.771 -25.695 1.00 0.00 H new ATOM 0 HG2 MET A 1 -34.410 -22.270 -24.208 1.00 0.00 H new ATOM 0 HG3 MET A 1 -33.273 -23.364 -23.445 1.00 0.00 H new ATOM 0 HE1 MET A 1 -34.043 -18.959 -22.313 1.00 0.00 H new ATOM 0 HE2 MET A 1 -33.291 -19.344 -23.880 1.00 0.00 H new ATOM 0 HE3 MET A 1 -34.931 -19.929 -23.512 1.00 0.00 H new ATOM 20 N ALA A 2 -29.045 -23.582 -24.729 1.00 0.00 N ATOM 21 CA ALA A 2 -28.374 -24.860 -24.929 1.00 0.00 C ATOM 22 C ALA A 2 -27.081 -24.932 -24.124 1.00 0.00 C ATOM 23 O ALA A 2 -26.904 -25.822 -23.292 1.00 0.00 O ATOM 24 CB ALA A 2 -28.092 -25.085 -26.407 1.00 0.00 C ATOM 0 H ALA A 2 -28.418 -22.778 -24.689 1.00 0.00 H new ATOM 0 HA ALA A 2 -29.037 -25.649 -24.575 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -27.591 -26.044 -26.540 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -29.031 -25.087 -26.960 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -27.452 -24.286 -26.781 1.00 0.00 H new ATOM 30 N ASP A 3 -26.181 -23.987 -24.375 1.00 0.00 N ATOM 31 CA ASP A 3 -24.904 -23.943 -23.674 1.00 0.00 C ATOM 32 C ASP A 3 -24.103 -22.709 -24.075 1.00 0.00 C ATOM 33 O ASP A 3 -23.129 -22.804 -24.822 1.00 0.00 O ATOM 34 CB ASP A 3 -24.094 -25.207 -23.969 1.00 0.00 C ATOM 35 CG ASP A 3 -23.016 -25.460 -22.933 1.00 0.00 C ATOM 36 OD1 ASP A 3 -22.948 -24.696 -21.948 1.00 0.00 O ATOM 37 OD2 ASP A 3 -22.239 -26.423 -23.107 1.00 0.00 O ATOM 0 H ASP A 3 -26.313 -23.242 -25.059 1.00 0.00 H new ATOM 0 HA ASP A 3 -25.108 -23.889 -22.605 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -24.766 -26.065 -24.007 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -23.634 -25.119 -24.953 1.00 0.00 H new ATOM 42 N PHE A 4 -24.518 -21.550 -23.572 1.00 0.00 N ATOM 43 CA PHE A 4 -23.837 -20.298 -23.877 1.00 0.00 C ATOM 44 C PHE A 4 -22.753 -20.004 -22.845 1.00 0.00 C ATOM 45 O PHE A 4 -22.646 -20.694 -21.831 1.00 0.00 O ATOM 46 CB PHE A 4 -24.840 -19.144 -23.924 1.00 0.00 C ATOM 47 CG PHE A 4 -25.569 -18.926 -22.629 1.00 0.00 C ATOM 48 CD1 PHE A 4 -24.998 -18.171 -21.616 1.00 0.00 C ATOM 49 CD2 PHE A 4 -26.825 -19.474 -22.425 1.00 0.00 C ATOM 50 CE1 PHE A 4 -25.667 -17.968 -20.424 1.00 0.00 C ATOM 51 CE2 PHE A 4 -27.499 -19.274 -21.235 1.00 0.00 C ATOM 52 CZ PHE A 4 -26.918 -18.520 -20.232 1.00 0.00 C ATOM 0 H PHE A 4 -25.322 -21.453 -22.952 1.00 0.00 H new ATOM 0 HA PHE A 4 -23.366 -20.399 -24.855 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -24.314 -18.228 -24.194 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -25.567 -19.338 -24.712 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -24.020 -17.737 -21.760 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -27.283 -20.064 -23.205 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -25.211 -17.378 -19.643 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -28.478 -19.706 -21.089 1.00 0.00 H new ATOM 0 HZ PHE A 4 -27.442 -18.363 -19.300 1.00 0.00 H new ATOM 62 N ASP A 5 -21.951 -18.977 -23.108 1.00 0.00 N ATOM 63 CA ASP A 5 -20.876 -18.598 -22.199 1.00 0.00 C ATOM 64 C ASP A 5 -21.073 -17.178 -21.679 1.00 0.00 C ATOM 65 O ASP A 5 -20.876 -16.206 -22.410 1.00 0.00 O ATOM 66 CB ASP A 5 -19.523 -18.711 -22.904 1.00 0.00 C ATOM 67 CG ASP A 5 -18.454 -19.310 -22.011 1.00 0.00 C ATOM 68 OD1 ASP A 5 -18.787 -20.207 -21.208 1.00 0.00 O ATOM 69 OD2 ASP A 5 -17.286 -18.882 -22.114 1.00 0.00 O ATOM 0 H ASP A 5 -22.025 -18.394 -23.941 1.00 0.00 H new ATOM 0 HA ASP A 5 -20.896 -19.281 -21.349 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -19.632 -19.325 -23.798 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -19.205 -17.722 -23.234 1.00 0.00 H new ATOM 74 N ASN A 6 -21.457 -17.066 -20.413 1.00 0.00 N ATOM 75 CA ASN A 6 -21.674 -15.765 -19.791 1.00 0.00 C ATOM 76 C ASN A 6 -20.622 -15.494 -18.721 1.00 0.00 C ATOM 77 O ASN A 6 -20.495 -16.248 -17.756 1.00 0.00 O ATOM 78 CB ASN A 6 -23.072 -15.695 -19.176 1.00 0.00 C ATOM 79 CG ASN A 6 -23.317 -14.392 -18.441 1.00 0.00 C ATOM 80 OD1 ASN A 6 -23.767 -13.409 -19.030 1.00 0.00 O ATOM 81 ND2 ASN A 6 -23.019 -14.378 -17.147 1.00 0.00 N ATOM 0 H ASN A 6 -21.625 -17.861 -19.796 1.00 0.00 H new ATOM 0 HA ASN A 6 -21.588 -15.002 -20.564 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -23.818 -15.811 -19.962 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -23.204 -16.528 -18.486 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -23.161 -13.529 -16.600 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -22.648 -15.216 -16.700 1.00 0.00 H new ATOM 88 N LEU A 7 -19.867 -14.415 -18.900 1.00 0.00 N ATOM 89 CA LEU A 7 -18.820 -14.049 -17.953 1.00 0.00 C ATOM 90 C LEU A 7 -19.183 -12.773 -17.201 1.00 0.00 C ATOM 91 O LEU A 7 -19.202 -12.750 -15.971 1.00 0.00 O ATOM 92 CB LEU A 7 -17.490 -13.863 -18.684 1.00 0.00 C ATOM 93 CG LEU A 7 -16.899 -15.137 -19.289 1.00 0.00 C ATOM 94 CD1 LEU A 7 -17.112 -15.159 -20.795 1.00 0.00 C ATOM 95 CD2 LEU A 7 -15.418 -15.249 -18.955 1.00 0.00 C ATOM 0 H LEU A 7 -19.961 -13.779 -19.692 1.00 0.00 H new ATOM 0 HA LEU A 7 -18.722 -14.857 -17.228 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -17.630 -13.132 -19.480 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -16.766 -13.440 -17.987 1.00 0.00 H new ATOM 0 HG LEU A 7 -17.413 -15.995 -18.857 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -16.685 -16.072 -21.209 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -18.180 -15.126 -21.012 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -16.624 -14.294 -21.244 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -15.014 -16.161 -19.394 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -14.888 -14.387 -19.359 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -15.290 -15.279 -17.873 1.00 0.00 H new ATOM 107 N PHE A 8 -19.468 -11.713 -17.950 1.00 0.00 N ATOM 108 CA PHE A 8 -19.827 -10.431 -17.353 1.00 0.00 C ATOM 109 C PHE A 8 -20.882 -9.716 -18.191 1.00 0.00 C ATOM 110 O PHE A 8 -20.708 -9.521 -19.394 1.00 0.00 O ATOM 111 CB PHE A 8 -18.587 -9.547 -17.213 1.00 0.00 C ATOM 112 CG PHE A 8 -17.832 -9.359 -18.498 1.00 0.00 C ATOM 113 CD1 PHE A 8 -16.868 -10.275 -18.889 1.00 0.00 C ATOM 114 CD2 PHE A 8 -18.086 -8.268 -19.313 1.00 0.00 C ATOM 115 CE1 PHE A 8 -16.172 -10.105 -20.071 1.00 0.00 C ATOM 116 CE2 PHE A 8 -17.392 -8.093 -20.495 1.00 0.00 C ATOM 117 CZ PHE A 8 -16.434 -9.013 -20.875 1.00 0.00 C ATOM 0 H PHE A 8 -19.458 -11.716 -18.970 1.00 0.00 H new ATOM 0 HA PHE A 8 -20.244 -10.623 -16.364 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -18.888 -8.571 -16.833 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -17.920 -9.986 -16.471 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -16.659 -11.130 -18.264 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -18.835 -7.546 -19.021 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -15.424 -10.826 -20.366 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -17.598 -7.238 -21.121 1.00 0.00 H new ATOM 0 HZ PHE A 8 -15.891 -8.879 -21.799 1.00 0.00 H new ATOM 127 N ASP A 9 -21.975 -9.325 -17.545 1.00 0.00 N ATOM 128 CA ASP A 9 -23.059 -8.630 -18.229 1.00 0.00 C ATOM 129 C ASP A 9 -22.544 -7.382 -18.937 1.00 0.00 C ATOM 130 O ASP A 9 -22.617 -7.277 -20.162 1.00 0.00 O ATOM 131 CB ASP A 9 -24.156 -8.248 -17.233 1.00 0.00 C ATOM 132 CG ASP A 9 -24.886 -9.459 -16.684 1.00 0.00 C ATOM 133 OD1 ASP A 9 -25.857 -9.909 -17.328 1.00 0.00 O ATOM 134 OD2 ASP A 9 -24.486 -9.957 -15.611 1.00 0.00 O ATOM 0 H ASP A 9 -22.134 -9.477 -16.549 1.00 0.00 H new ATOM 0 HA ASP A 9 -23.475 -9.305 -18.977 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -23.715 -7.688 -16.408 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -24.872 -7.586 -17.721 1.00 0.00 H new ATOM 139 N ALA A 10 -22.022 -6.439 -18.159 1.00 0.00 N ATOM 140 CA ALA A 10 -21.495 -5.200 -18.715 1.00 0.00 C ATOM 141 C ALA A 10 -20.957 -4.288 -17.618 1.00 0.00 C ATOM 142 O ALA A 10 -19.808 -3.850 -17.670 1.00 0.00 O ATOM 143 CB ALA A 10 -22.566 -4.485 -19.524 1.00 0.00 C ATOM 0 H ALA A 10 -21.953 -6.510 -17.144 1.00 0.00 H new ATOM 0 HA ALA A 10 -20.666 -5.453 -19.376 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -22.157 -3.561 -19.933 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -22.896 -5.128 -20.340 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -23.414 -4.253 -18.880 1.00 0.00 H new ATOM 149 N ALA A 11 -21.792 -4.006 -16.624 1.00 0.00 N ATOM 150 CA ALA A 11 -21.392 -3.146 -15.519 1.00 0.00 C ATOM 151 C ALA A 11 -21.582 -3.847 -14.179 1.00 0.00 C ATOM 152 O ALA A 11 -21.903 -3.212 -13.174 1.00 0.00 O ATOM 153 CB ALA A 11 -22.175 -1.843 -15.553 1.00 0.00 C ATOM 0 H ALA A 11 -22.747 -4.360 -16.562 1.00 0.00 H new ATOM 0 HA ALA A 11 -20.331 -2.921 -15.633 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -21.865 -1.211 -14.721 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -21.981 -1.327 -16.493 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -23.241 -2.057 -15.469 1.00 0.00 H new ATOM 159 N ILE A 12 -21.381 -5.161 -14.170 1.00 0.00 N ATOM 160 CA ILE A 12 -21.529 -5.950 -12.958 1.00 0.00 C ATOM 161 C ILE A 12 -20.486 -7.078 -12.935 1.00 0.00 C ATOM 162 O ILE A 12 -19.428 -6.958 -13.551 1.00 0.00 O ATOM 163 CB ILE A 12 -22.982 -6.495 -12.834 1.00 0.00 C ATOM 164 CG1 ILE A 12 -23.377 -6.650 -11.362 1.00 0.00 C ATOM 165 CG2 ILE A 12 -23.176 -7.806 -13.592 1.00 0.00 C ATOM 166 CD1 ILE A 12 -24.275 -5.543 -10.856 1.00 0.00 C ATOM 0 H ILE A 12 -21.114 -5.701 -14.993 1.00 0.00 H new ATOM 0 HA ILE A 12 -21.350 -5.315 -12.091 1.00 0.00 H new ATOM 0 HB ILE A 12 -23.642 -5.761 -13.297 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -23.883 -7.606 -11.229 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -22.473 -6.680 -10.753 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -24.205 -8.145 -13.475 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -22.964 -7.650 -14.650 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -22.498 -8.561 -13.193 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -24.514 -5.719 -9.807 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -23.764 -4.585 -10.956 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -25.196 -5.526 -11.439 1.00 0.00 H new ATOM 178 N ALA A 13 -20.781 -8.163 -12.229 1.00 0.00 N ATOM 179 CA ALA A 13 -19.861 -9.292 -12.144 1.00 0.00 C ATOM 180 C ALA A 13 -18.452 -8.830 -11.784 1.00 0.00 C ATOM 181 O ALA A 13 -17.481 -9.189 -12.453 1.00 0.00 O ATOM 182 CB ALA A 13 -19.849 -10.060 -13.456 1.00 0.00 C ATOM 0 H ALA A 13 -21.649 -8.285 -11.707 1.00 0.00 H new ATOM 0 HA ALA A 13 -20.209 -9.954 -11.351 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -19.159 -10.900 -13.380 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -20.851 -10.432 -13.669 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -19.529 -9.399 -14.261 1.00 0.00 H new ATOM 188 N ARG A 14 -18.346 -8.033 -10.726 1.00 0.00 N ATOM 189 CA ARG A 14 -17.055 -7.526 -10.278 1.00 0.00 C ATOM 190 C ARG A 14 -16.516 -8.362 -9.122 1.00 0.00 C ATOM 191 O ARG A 14 -15.948 -7.829 -8.168 1.00 0.00 O ATOM 192 CB ARG A 14 -17.179 -6.062 -9.850 1.00 0.00 C ATOM 193 CG ARG A 14 -17.247 -5.090 -11.016 1.00 0.00 C ATOM 194 CD ARG A 14 -16.175 -4.019 -10.913 1.00 0.00 C ATOM 195 NE ARG A 14 -16.662 -2.712 -11.348 1.00 0.00 N ATOM 196 CZ ARG A 14 -17.592 -2.019 -10.701 1.00 0.00 C ATOM 197 NH1 ARG A 14 -18.133 -2.506 -9.592 1.00 0.00 N ATOM 198 NH2 ARG A 14 -17.984 -0.838 -11.161 1.00 0.00 N ATOM 0 H ARG A 14 -19.139 -7.725 -10.163 1.00 0.00 H new ATOM 0 HA ARG A 14 -16.355 -7.595 -11.111 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -18.074 -5.946 -9.238 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -16.327 -5.803 -9.221 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -17.129 -5.635 -11.952 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -18.230 -4.620 -11.042 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -15.828 -3.952 -9.882 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -15.316 -4.306 -11.520 1.00 0.00 H new ATOM 0 HE ARG A 14 -16.265 -2.309 -12.197 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -17.835 -3.414 -9.235 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -18.847 -1.973 -9.096 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -17.571 -0.460 -12.014 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -18.698 -0.308 -10.662 1.00 0.00 H new ATOM 212 N ALA A 15 -16.703 -9.675 -9.211 1.00 0.00 N ATOM 213 CA ALA A 15 -16.238 -10.586 -8.173 1.00 0.00 C ATOM 214 C ALA A 15 -16.942 -10.312 -6.848 1.00 0.00 C ATOM 215 O ALA A 15 -16.615 -9.354 -6.147 1.00 0.00 O ATOM 216 CB ALA A 15 -14.731 -10.474 -8.006 1.00 0.00 C ATOM 0 H ALA A 15 -17.174 -10.131 -9.992 1.00 0.00 H new ATOM 0 HA ALA A 15 -16.482 -11.603 -8.481 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -14.399 -11.161 -7.227 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -14.241 -10.727 -8.946 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -14.471 -9.453 -7.725 1.00 0.00 H new ATOM 222 N ASP A 16 -17.909 -11.159 -6.509 1.00 0.00 N ATOM 223 CA ASP A 16 -18.659 -11.005 -5.268 1.00 0.00 C ATOM 224 C ASP A 16 -19.393 -9.669 -5.237 1.00 0.00 C ATOM 225 O ASP A 16 -19.366 -8.913 -6.207 1.00 0.00 O ATOM 226 CB ASP A 16 -17.720 -11.113 -4.065 1.00 0.00 C ATOM 227 CG ASP A 16 -18.180 -12.154 -3.063 1.00 0.00 C ATOM 228 OD1 ASP A 16 -19.312 -12.024 -2.551 1.00 0.00 O ATOM 229 OD2 ASP A 16 -17.411 -13.100 -2.793 1.00 0.00 O ATOM 0 H ASP A 16 -18.191 -11.958 -7.076 1.00 0.00 H new ATOM 0 HA ASP A 16 -19.398 -11.805 -5.217 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -16.718 -11.365 -4.412 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -17.653 -10.143 -3.572 1.00 0.00 H new ATOM 234 N GLU A 17 -20.048 -9.385 -4.116 1.00 0.00 N ATOM 235 CA GLU A 17 -20.791 -8.141 -3.961 1.00 0.00 C ATOM 236 C GLU A 17 -19.841 -6.954 -3.816 1.00 0.00 C ATOM 237 O GLU A 17 -19.751 -6.340 -2.753 1.00 0.00 O ATOM 238 CB GLU A 17 -21.722 -8.227 -2.747 1.00 0.00 C ATOM 239 CG GLU A 17 -23.197 -8.234 -3.113 1.00 0.00 C ATOM 240 CD GLU A 17 -23.774 -9.633 -3.188 1.00 0.00 C ATOM 241 OE1 GLU A 17 -23.001 -10.582 -3.434 1.00 0.00 O ATOM 242 OE2 GLU A 17 -25.001 -9.780 -3.000 1.00 0.00 O ATOM 0 H GLU A 17 -20.079 -9.999 -3.302 1.00 0.00 H new ATOM 0 HA GLU A 17 -21.393 -7.989 -4.857 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -21.491 -9.132 -2.185 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -21.524 -7.383 -2.087 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -23.753 -7.655 -2.375 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -23.331 -7.738 -4.074 1.00 0.00 H new ATOM 249 N THR A 18 -19.127 -6.641 -4.893 1.00 0.00 N ATOM 250 CA THR A 18 -18.185 -5.527 -4.892 1.00 0.00 C ATOM 251 C THR A 18 -17.267 -5.585 -3.675 1.00 0.00 C ATOM 252 O THR A 18 -17.547 -4.970 -2.645 1.00 0.00 O ATOM 253 CB THR A 18 -18.941 -4.197 -4.913 1.00 0.00 C ATOM 254 OG1 THR A 18 -20.229 -4.345 -4.340 1.00 0.00 O ATOM 255 CG2 THR A 18 -19.118 -3.629 -6.304 1.00 0.00 C ATOM 0 H THR A 18 -19.183 -7.144 -5.779 1.00 0.00 H new ATOM 0 HA THR A 18 -17.569 -5.604 -5.788 1.00 0.00 H new ATOM 0 HB THR A 18 -18.328 -3.507 -4.334 1.00 0.00 H new ATOM 0 HG1 THR A 18 -20.141 -4.618 -3.403 1.00 0.00 H new ATOM 0 HG21 THR A 18 -19.662 -2.686 -6.246 1.00 0.00 H new ATOM 0 HG22 THR A 18 -18.140 -3.457 -6.754 1.00 0.00 H new ATOM 0 HG23 THR A 18 -19.680 -4.334 -6.916 1.00 0.00 H new ATOM 263 N ILE A 19 -16.169 -6.323 -3.800 1.00 0.00 N ATOM 264 CA ILE A 19 -15.209 -6.456 -2.711 1.00 0.00 C ATOM 265 C ILE A 19 -14.735 -5.089 -2.229 1.00 0.00 C ATOM 266 O ILE A 19 -13.809 -4.507 -2.793 1.00 0.00 O ATOM 267 CB ILE A 19 -13.986 -7.290 -3.138 1.00 0.00 C ATOM 268 CG1 ILE A 19 -14.429 -8.664 -3.642 1.00 0.00 C ATOM 269 CG2 ILE A 19 -13.011 -7.436 -1.979 1.00 0.00 C ATOM 270 CD1 ILE A 19 -13.569 -9.202 -4.764 1.00 0.00 C ATOM 0 H ILE A 19 -15.922 -6.838 -4.645 1.00 0.00 H new ATOM 0 HA ILE A 19 -15.722 -6.969 -1.897 1.00 0.00 H new ATOM 0 HB ILE A 19 -13.479 -6.771 -3.951 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -14.412 -9.370 -2.811 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -15.462 -8.601 -3.985 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -12.153 -8.028 -2.298 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -12.674 -6.450 -1.661 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -13.507 -7.935 -1.147 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -13.941 -10.179 -5.071 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -13.606 -8.517 -5.611 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -12.539 -9.298 -4.419 1.00 0.00 H new ATOM 282 N ARG A 20 -15.377 -4.582 -1.181 1.00 0.00 N ATOM 283 CA ARG A 20 -15.024 -3.283 -0.624 1.00 0.00 C ATOM 284 C ARG A 20 -14.782 -3.383 0.879 1.00 0.00 C ATOM 285 O ARG A 20 -14.814 -4.474 1.451 1.00 0.00 O ATOM 286 CB ARG A 20 -16.132 -2.267 -0.908 1.00 0.00 C ATOM 287 CG ARG A 20 -16.145 -1.768 -2.345 1.00 0.00 C ATOM 288 CD ARG A 20 -14.961 -0.861 -2.631 1.00 0.00 C ATOM 289 NE ARG A 20 -14.122 -1.377 -3.709 1.00 0.00 N ATOM 290 CZ ARG A 20 -14.512 -1.444 -4.977 1.00 0.00 C ATOM 291 NH1 ARG A 20 -15.723 -1.028 -5.324 1.00 0.00 N ATOM 292 NH2 ARG A 20 -13.691 -1.926 -5.901 1.00 0.00 N ATOM 0 H ARG A 20 -16.145 -5.052 -0.701 1.00 0.00 H new ATOM 0 HA ARG A 20 -14.102 -2.949 -1.100 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -17.097 -2.721 -0.681 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -16.014 -1.416 -0.237 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -16.126 -2.618 -3.027 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -17.072 -1.228 -2.535 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -15.322 0.133 -2.897 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -14.362 -0.751 -1.727 1.00 0.00 H new ATOM 0 HE ARG A 20 -13.185 -1.704 -3.475 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -16.357 -0.656 -4.617 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -16.020 -1.080 -6.298 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -12.759 -2.246 -5.638 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -13.992 -1.977 -6.874 1.00 0.00 H new ATOM 306 N GLY A 21 -14.539 -2.242 1.513 1.00 0.00 N ATOM 307 CA GLY A 21 -14.296 -2.224 2.941 1.00 0.00 C ATOM 308 C GLY A 21 -13.356 -1.109 3.355 1.00 0.00 C ATOM 309 O GLY A 21 -13.332 -0.046 2.734 1.00 0.00 O ATOM 0 H GLY A 21 -14.506 -1.328 1.062 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -15.244 -2.110 3.466 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -13.876 -3.182 3.247 1.00 0.00 H new ATOM 313 N TYR A 22 -12.580 -1.351 4.406 1.00 0.00 N ATOM 314 CA TYR A 22 -11.636 -0.358 4.903 1.00 0.00 C ATOM 315 C TYR A 22 -10.213 -0.691 4.469 1.00 0.00 C ATOM 316 O TYR A 22 -9.979 -1.685 3.780 1.00 0.00 O ATOM 317 CB TYR A 22 -11.709 -0.274 6.429 1.00 0.00 C ATOM 318 CG TYR A 22 -12.796 0.648 6.935 1.00 0.00 C ATOM 319 CD1 TYR A 22 -14.124 0.453 6.573 1.00 0.00 C ATOM 320 CD2 TYR A 22 -12.496 1.709 7.779 1.00 0.00 C ATOM 321 CE1 TYR A 22 -15.120 1.292 7.036 1.00 0.00 C ATOM 322 CE2 TYR A 22 -13.486 2.553 8.245 1.00 0.00 C ATOM 323 CZ TYR A 22 -14.796 2.340 7.871 1.00 0.00 C ATOM 324 OH TYR A 22 -15.785 3.178 8.333 1.00 0.00 O ATOM 0 H TYR A 22 -12.586 -2.226 4.930 1.00 0.00 H new ATOM 0 HA TYR A 22 -11.908 0.608 4.478 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -11.876 -1.273 6.832 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -10.747 0.068 6.812 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -14.382 -0.367 5.919 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -11.471 1.877 8.076 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -16.147 1.127 6.745 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -13.235 3.375 8.899 1.00 0.00 H new ATOM 0 HH TYR A 22 -15.389 3.864 8.911 1.00 0.00 H new ATOM 334 N MET A 23 -9.265 0.146 4.877 1.00 0.00 N ATOM 335 CA MET A 23 -7.864 -0.057 4.528 1.00 0.00 C ATOM 336 C MET A 23 -7.638 0.177 3.039 1.00 0.00 C ATOM 337 O MET A 23 -7.173 1.242 2.631 1.00 0.00 O ATOM 338 CB MET A 23 -7.421 -1.472 4.907 1.00 0.00 C ATOM 339 CG MET A 23 -6.405 -1.510 6.035 1.00 0.00 C ATOM 340 SD MET A 23 -6.809 -2.735 7.294 1.00 0.00 S ATOM 341 CE MET A 23 -5.808 -4.117 6.754 1.00 0.00 C ATOM 0 H MET A 23 -9.442 0.971 5.450 1.00 0.00 H new ATOM 0 HA MET A 23 -7.267 0.664 5.087 1.00 0.00 H new ATOM 0 HB2 MET A 23 -8.297 -2.052 5.198 1.00 0.00 H new ATOM 0 HB3 MET A 23 -6.995 -1.958 4.029 1.00 0.00 H new ATOM 0 HG2 MET A 23 -5.420 -1.729 5.624 1.00 0.00 H new ATOM 0 HG3 MET A 23 -6.345 -0.525 6.498 1.00 0.00 H new ATOM 0 HE1 MET A 23 -5.949 -4.957 7.435 1.00 0.00 H new ATOM 0 HE2 MET A 23 -6.106 -4.411 5.748 1.00 0.00 H new ATOM 0 HE3 MET A 23 -4.758 -3.826 6.750 1.00 0.00 H new ATOM 351 N GLY A 24 -7.973 -0.822 2.230 1.00 0.00 N ATOM 352 CA GLY A 24 -7.806 -0.703 0.794 1.00 0.00 C ATOM 353 C GLY A 24 -6.422 -0.223 0.407 1.00 0.00 C ATOM 354 O GLY A 24 -6.279 0.644 -0.455 1.00 0.00 O ATOM 0 H GLY A 24 -8.358 -1.713 2.544 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.995 -1.670 0.328 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -8.550 -0.010 0.401 1.00 0.00 H new ATOM 358 N THR A 25 -5.398 -0.825 1.001 1.00 0.00 N ATOM 359 CA THR A 25 -4.025 -0.425 0.732 1.00 0.00 C ATOM 360 C THR A 25 -3.399 -1.233 -0.393 1.00 0.00 C ATOM 361 O THR A 25 -3.522 -2.458 -0.447 1.00 0.00 O ATOM 362 CB THR A 25 -3.163 -0.575 1.985 1.00 0.00 C ATOM 363 OG1 THR A 25 -1.802 -0.767 1.636 1.00 0.00 O ATOM 364 CG2 THR A 25 -3.567 -1.736 2.872 1.00 0.00 C ATOM 0 H THR A 25 -5.494 -1.589 1.670 1.00 0.00 H new ATOM 0 HA THR A 25 -4.062 0.621 0.426 1.00 0.00 H new ATOM 0 HB THR A 25 -3.312 0.351 2.540 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.629 -1.723 1.508 1.00 0.00 H new ATOM 0 HG21 THR A 25 -2.909 -1.777 3.740 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.597 -1.600 3.203 1.00 0.00 H new ATOM 0 HG23 THR A 25 -3.486 -2.667 2.312 1.00 0.00 H new ATOM 372 N SER A 26 -2.655 -0.533 -1.238 1.00 0.00 N ATOM 373 CA SER A 26 -1.933 -1.158 -2.331 1.00 0.00 C ATOM 374 C SER A 26 -0.502 -0.644 -2.380 1.00 0.00 C ATOM 375 O SER A 26 -0.271 0.561 -2.489 1.00 0.00 O ATOM 376 CB SER A 26 -2.621 -0.858 -3.659 1.00 0.00 C ATOM 377 OG SER A 26 -3.958 -1.328 -3.664 1.00 0.00 O ATOM 0 H SER A 26 -2.537 0.479 -1.184 1.00 0.00 H new ATOM 0 HA SER A 26 -1.924 -2.235 -2.164 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.610 0.216 -3.842 1.00 0.00 H new ATOM 0 HB3 SER A 26 -2.066 -1.325 -4.472 1.00 0.00 H new ATOM 0 HG SER A 26 -4.374 -1.120 -4.526 1.00 0.00 H new ATOM 383 N ALA A 27 0.457 -1.556 -2.322 1.00 0.00 N ATOM 384 CA ALA A 27 1.862 -1.180 -2.404 1.00 0.00 C ATOM 385 C ALA A 27 2.542 -1.958 -3.511 1.00 0.00 C ATOM 386 O ALA A 27 2.086 -3.029 -3.907 1.00 0.00 O ATOM 387 CB ALA A 27 2.574 -1.375 -1.069 1.00 0.00 C ATOM 0 H ALA A 27 0.290 -2.557 -2.219 1.00 0.00 H new ATOM 0 HA ALA A 27 1.920 -0.118 -2.641 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.620 -1.084 -1.169 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.097 -0.757 -0.308 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.515 -2.423 -0.775 1.00 0.00 H new ATOM 393 N THR A 28 3.580 -1.367 -4.069 1.00 0.00 N ATOM 394 CA THR A 28 4.288 -1.964 -5.183 1.00 0.00 C ATOM 395 C THR A 28 5.761 -2.106 -4.850 1.00 0.00 C ATOM 396 O THR A 28 6.377 -1.180 -4.341 1.00 0.00 O ATOM 397 CB THR A 28 4.087 -1.102 -6.428 1.00 0.00 C ATOM 398 OG1 THR A 28 2.761 -1.232 -6.912 1.00 0.00 O ATOM 399 CG2 THR A 28 5.023 -1.442 -7.567 1.00 0.00 C ATOM 0 H THR A 28 3.954 -0.467 -3.766 1.00 0.00 H new ATOM 0 HA THR A 28 3.892 -2.960 -5.379 1.00 0.00 H new ATOM 0 HB THR A 28 4.301 -0.083 -6.105 1.00 0.00 H new ATOM 0 HG1 THR A 28 2.647 -0.673 -7.709 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.818 -0.787 -8.414 1.00 0.00 H new ATOM 0 HG22 THR A 28 6.055 -1.305 -7.243 1.00 0.00 H new ATOM 0 HG23 THR A 28 4.871 -2.479 -7.865 1.00 0.00 H new ATOM 407 N ILE A 29 6.309 -3.280 -5.124 1.00 0.00 N ATOM 408 CA ILE A 29 7.694 -3.565 -4.801 1.00 0.00 C ATOM 409 C ILE A 29 8.593 -3.448 -6.018 1.00 0.00 C ATOM 410 O ILE A 29 8.401 -4.131 -7.024 1.00 0.00 O ATOM 411 CB ILE A 29 7.850 -4.970 -4.198 1.00 0.00 C ATOM 412 CG1 ILE A 29 6.675 -5.292 -3.275 1.00 0.00 C ATOM 413 CG2 ILE A 29 9.155 -5.074 -3.435 1.00 0.00 C ATOM 414 CD1 ILE A 29 6.358 -4.188 -2.290 1.00 0.00 C ATOM 0 H ILE A 29 5.812 -4.051 -5.570 1.00 0.00 H new ATOM 0 HA ILE A 29 7.998 -2.820 -4.066 1.00 0.00 H new ATOM 0 HB ILE A 29 7.860 -5.694 -5.013 1.00 0.00 H new ATOM 0 HG12 ILE A 29 5.791 -5.491 -3.881 1.00 0.00 H new ATOM 0 HG13 ILE A 29 6.896 -6.206 -2.724 1.00 0.00 H new ATOM 0 HG21 ILE A 29 9.251 -6.075 -3.014 1.00 0.00 H new ATOM 0 HG22 ILE A 29 9.988 -4.883 -4.111 1.00 0.00 H new ATOM 0 HG23 ILE A 29 9.166 -4.339 -2.630 1.00 0.00 H new ATOM 0 HD11 ILE A 29 5.514 -4.486 -1.668 1.00 0.00 H new ATOM 0 HD12 ILE A 29 7.227 -4.004 -1.658 1.00 0.00 H new ATOM 0 HD13 ILE A 29 6.105 -3.278 -2.833 1.00 0.00 H new ATOM 426 N THR A 30 9.593 -2.592 -5.898 1.00 0.00 N ATOM 427 CA THR A 30 10.563 -2.389 -6.958 1.00 0.00 C ATOM 428 C THR A 30 11.973 -2.584 -6.421 1.00 0.00 C ATOM 429 O THR A 30 12.545 -1.684 -5.806 1.00 0.00 O ATOM 430 CB THR A 30 10.408 -0.987 -7.544 1.00 0.00 C ATOM 431 OG1 THR A 30 11.573 -0.608 -8.256 1.00 0.00 O ATOM 432 CG2 THR A 30 10.140 0.069 -6.494 1.00 0.00 C ATOM 0 H THR A 30 9.754 -2.022 -5.068 1.00 0.00 H new ATOM 0 HA THR A 30 10.386 -3.121 -7.746 1.00 0.00 H new ATOM 0 HB THR A 30 9.546 -1.042 -8.208 1.00 0.00 H new ATOM 0 HG1 THR A 30 11.453 0.292 -8.625 1.00 0.00 H new ATOM 0 HG21 THR A 30 10.040 1.042 -6.974 1.00 0.00 H new ATOM 0 HG22 THR A 30 9.218 -0.171 -5.964 1.00 0.00 H new ATOM 0 HG23 THR A 30 10.969 0.097 -5.786 1.00 0.00 H new ATOM 440 N SER A 31 12.522 -3.768 -6.651 1.00 0.00 N ATOM 441 CA SER A 31 13.850 -4.098 -6.178 1.00 0.00 C ATOM 442 C SER A 31 14.769 -4.443 -7.341 1.00 0.00 C ATOM 443 O SER A 31 14.306 -4.768 -8.435 1.00 0.00 O ATOM 444 CB SER A 31 13.787 -5.273 -5.201 1.00 0.00 C ATOM 445 OG SER A 31 13.329 -6.450 -5.846 1.00 0.00 O ATOM 0 H SER A 31 12.061 -4.518 -7.166 1.00 0.00 H new ATOM 0 HA SER A 31 14.253 -3.226 -5.664 1.00 0.00 H new ATOM 0 HB2 SER A 31 14.775 -5.449 -4.775 1.00 0.00 H new ATOM 0 HB3 SER A 31 13.122 -5.026 -4.373 1.00 0.00 H new ATOM 0 HG SER A 31 13.299 -7.187 -5.200 1.00 0.00 H new ATOM 451 N GLY A 32 16.071 -4.369 -7.101 1.00 0.00 N ATOM 452 CA GLY A 32 17.030 -4.692 -8.139 1.00 0.00 C ATOM 453 C GLY A 32 16.858 -6.107 -8.657 1.00 0.00 C ATOM 454 O GLY A 32 17.208 -6.404 -9.800 1.00 0.00 O ATOM 0 H GLY A 32 16.480 -4.092 -6.209 1.00 0.00 H new ATOM 0 HA2 GLY A 32 16.920 -3.989 -8.965 1.00 0.00 H new ATOM 0 HA3 GLY A 32 18.040 -4.570 -7.749 1.00 0.00 H new ATOM 458 N GLU A 33 16.304 -6.977 -7.819 1.00 0.00 N ATOM 459 CA GLU A 33 16.090 -8.367 -8.185 1.00 0.00 C ATOM 460 C GLU A 33 15.088 -8.498 -9.322 1.00 0.00 C ATOM 461 O GLU A 33 15.455 -8.774 -10.464 1.00 0.00 O ATOM 462 CB GLU A 33 15.604 -9.147 -6.977 1.00 0.00 C ATOM 463 CG GLU A 33 16.452 -10.361 -6.665 1.00 0.00 C ATOM 464 CD GLU A 33 16.150 -10.952 -5.303 1.00 0.00 C ATOM 465 OE1 GLU A 33 15.918 -10.172 -4.355 1.00 0.00 O ATOM 466 OE2 GLU A 33 16.147 -12.195 -5.182 1.00 0.00 O ATOM 0 H GLU A 33 15.994 -6.739 -6.877 1.00 0.00 H new ATOM 0 HA GLU A 33 17.041 -8.775 -8.528 1.00 0.00 H new ATOM 0 HB2 GLU A 33 15.593 -8.488 -6.109 1.00 0.00 H new ATOM 0 HB3 GLU A 33 14.576 -9.466 -7.149 1.00 0.00 H new ATOM 0 HG2 GLU A 33 16.288 -11.120 -7.430 1.00 0.00 H new ATOM 0 HG3 GLU A 33 17.505 -10.085 -6.711 1.00 0.00 H new ATOM 473 N GLN A 34 13.816 -8.315 -8.993 1.00 0.00 N ATOM 474 CA GLN A 34 12.747 -8.438 -9.975 1.00 0.00 C ATOM 475 C GLN A 34 11.645 -7.413 -9.717 1.00 0.00 C ATOM 476 O GLN A 34 10.479 -7.770 -9.546 1.00 0.00 O ATOM 477 CB GLN A 34 12.165 -9.851 -9.935 1.00 0.00 C ATOM 478 CG GLN A 34 10.973 -10.047 -10.858 1.00 0.00 C ATOM 479 CD GLN A 34 10.893 -11.454 -11.417 1.00 0.00 C ATOM 480 OE1 GLN A 34 10.148 -12.293 -10.911 1.00 0.00 O ATOM 481 NE2 GLN A 34 11.661 -11.719 -12.467 1.00 0.00 N ATOM 0 H GLN A 34 13.499 -8.081 -8.052 1.00 0.00 H new ATOM 0 HA GLN A 34 13.166 -8.246 -10.963 1.00 0.00 H new ATOM 0 HB2 GLN A 34 12.944 -10.563 -10.206 1.00 0.00 H new ATOM 0 HB3 GLN A 34 11.864 -10.082 -8.913 1.00 0.00 H new ATOM 0 HG2 GLN A 34 10.056 -9.824 -10.313 1.00 0.00 H new ATOM 0 HG3 GLN A 34 11.035 -9.336 -11.682 1.00 0.00 H new ATOM 0 HE21 GLN A 34 12.264 -10.993 -12.854 1.00 0.00 H new ATOM 0 HE22 GLN A 34 11.648 -12.649 -12.886 1.00 0.00 H new ATOM 490 N SER A 35 12.021 -6.139 -9.700 1.00 0.00 N ATOM 491 CA SER A 35 11.064 -5.064 -9.463 1.00 0.00 C ATOM 492 C SER A 35 9.835 -5.214 -10.354 1.00 0.00 C ATOM 493 O SER A 35 9.934 -5.175 -11.580 1.00 0.00 O ATOM 494 CB SER A 35 11.723 -3.705 -9.713 1.00 0.00 C ATOM 495 OG SER A 35 12.414 -3.691 -10.950 1.00 0.00 O ATOM 0 H SER A 35 12.980 -5.825 -9.847 1.00 0.00 H new ATOM 0 HA SER A 35 10.743 -5.124 -8.423 1.00 0.00 H new ATOM 0 HB2 SER A 35 10.963 -2.923 -9.709 1.00 0.00 H new ATOM 0 HB3 SER A 35 12.417 -3.480 -8.903 1.00 0.00 H new ATOM 0 HG SER A 35 11.949 -4.269 -11.591 1.00 0.00 H new ATOM 501 N GLY A 36 8.674 -5.382 -9.727 1.00 0.00 N ATOM 502 CA GLY A 36 7.440 -5.532 -10.476 1.00 0.00 C ATOM 503 C GLY A 36 6.433 -6.416 -9.764 1.00 0.00 C ATOM 504 O GLY A 36 5.840 -7.306 -10.374 1.00 0.00 O ATOM 0 H GLY A 36 8.566 -5.417 -8.713 1.00 0.00 H new ATOM 0 HA2 GLY A 36 7.000 -4.549 -10.646 1.00 0.00 H new ATOM 0 HA3 GLY A 36 7.662 -5.956 -11.455 1.00 0.00 H new ATOM 508 N ALA A 37 6.240 -6.170 -8.472 1.00 0.00 N ATOM 509 CA ALA A 37 5.299 -6.954 -7.678 1.00 0.00 C ATOM 510 C ALA A 37 4.484 -6.059 -6.749 1.00 0.00 C ATOM 511 O ALA A 37 5.040 -5.298 -5.958 1.00 0.00 O ATOM 512 CB ALA A 37 6.040 -8.016 -6.879 1.00 0.00 C ATOM 0 H ALA A 37 6.721 -5.436 -7.953 1.00 0.00 H new ATOM 0 HA ALA A 37 4.607 -7.447 -8.361 1.00 0.00 H new ATOM 0 HB1 ALA A 37 5.326 -8.593 -6.291 1.00 0.00 H new ATOM 0 HB2 ALA A 37 6.570 -8.681 -7.561 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.755 -7.536 -6.211 1.00 0.00 H new ATOM 518 N VAL A 38 3.163 -6.174 -6.836 1.00 0.00 N ATOM 519 CA VAL A 38 2.268 -5.366 -6.015 1.00 0.00 C ATOM 520 C VAL A 38 1.761 -6.147 -4.806 1.00 0.00 C ATOM 521 O VAL A 38 1.314 -7.287 -4.932 1.00 0.00 O ATOM 522 CB VAL A 38 1.059 -4.865 -6.829 1.00 0.00 C ATOM 523 CG1 VAL A 38 0.244 -6.039 -7.348 1.00 0.00 C ATOM 524 CG2 VAL A 38 0.197 -3.936 -5.989 1.00 0.00 C ATOM 0 H VAL A 38 2.688 -6.819 -7.467 1.00 0.00 H new ATOM 0 HA VAL A 38 2.849 -4.511 -5.670 1.00 0.00 H new ATOM 0 HB VAL A 38 1.428 -4.301 -7.686 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.606 -5.667 -7.920 1.00 0.00 H new ATOM 0 HG12 VAL A 38 0.869 -6.661 -7.989 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.116 -6.632 -6.507 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.651 -3.593 -6.581 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.166 -4.471 -5.111 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.789 -3.078 -5.672 1.00 0.00 H new ATOM 534 N ILE A 39 1.832 -5.520 -3.634 1.00 0.00 N ATOM 535 CA ILE A 39 1.379 -6.147 -2.397 1.00 0.00 C ATOM 536 C ILE A 39 0.282 -5.324 -1.727 1.00 0.00 C ATOM 537 O ILE A 39 0.205 -4.107 -1.906 1.00 0.00 O ATOM 538 CB ILE A 39 2.539 -6.345 -1.403 1.00 0.00 C ATOM 539 CG1 ILE A 39 3.053 -4.998 -0.896 1.00 0.00 C ATOM 540 CG2 ILE A 39 3.664 -7.142 -2.047 1.00 0.00 C ATOM 541 CD1 ILE A 39 2.459 -4.595 0.435 1.00 0.00 C ATOM 0 H ILE A 39 2.200 -4.576 -3.516 1.00 0.00 H new ATOM 0 HA ILE A 39 0.979 -7.123 -2.671 1.00 0.00 H new ATOM 0 HB ILE A 39 2.165 -6.909 -0.548 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.138 -5.042 -0.803 1.00 0.00 H new ATOM 0 HG13 ILE A 39 2.827 -4.229 -1.635 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.475 -7.272 -1.330 1.00 0.00 H new ATOM 0 HG22 ILE A 39 3.289 -8.119 -2.352 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.035 -6.607 -2.921 1.00 0.00 H new ATOM 0 HD11 ILE A 39 2.866 -3.630 0.738 1.00 0.00 H new ATOM 0 HD12 ILE A 39 1.376 -4.519 0.342 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.707 -5.345 1.186 1.00 0.00 H new ATOM 553 N ARG A 40 -0.559 -5.996 -0.950 1.00 0.00 N ATOM 554 CA ARG A 40 -1.646 -5.334 -0.237 1.00 0.00 C ATOM 555 C ARG A 40 -1.362 -5.323 1.265 1.00 0.00 C ATOM 556 O ARG A 40 -0.845 -6.292 1.811 1.00 0.00 O ATOM 557 CB ARG A 40 -2.978 -6.045 -0.539 1.00 0.00 C ATOM 558 CG ARG A 40 -4.050 -5.877 0.532 1.00 0.00 C ATOM 559 CD ARG A 40 -5.448 -5.993 -0.053 1.00 0.00 C ATOM 560 NE ARG A 40 -5.634 -7.246 -0.781 1.00 0.00 N ATOM 561 CZ ARG A 40 -6.766 -7.584 -1.391 1.00 0.00 C ATOM 562 NH1 ARG A 40 -7.807 -6.763 -1.360 1.00 0.00 N ATOM 563 NH2 ARG A 40 -6.856 -8.740 -2.032 1.00 0.00 N ATOM 0 H ARG A 40 -0.509 -7.003 -0.797 1.00 0.00 H new ATOM 0 HA ARG A 40 -1.721 -4.301 -0.576 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -3.368 -5.669 -1.485 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.783 -7.109 -0.674 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -3.915 -6.633 1.305 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.936 -4.906 1.013 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.183 -5.927 0.749 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -5.631 -5.153 -0.723 1.00 0.00 H new ATOM 0 HE ARG A 40 -4.851 -7.898 -0.824 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -7.739 -5.872 -0.868 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -8.675 -7.023 -1.828 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -6.056 -9.372 -2.058 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -7.725 -8.998 -2.499 1.00 0.00 H new ATOM 577 N GLY A 41 -1.732 -4.232 1.929 1.00 0.00 N ATOM 578 CA GLY A 41 -1.515 -4.135 3.362 1.00 0.00 C ATOM 579 C GLY A 41 -0.648 -2.946 3.739 1.00 0.00 C ATOM 580 O GLY A 41 0.213 -2.532 2.963 1.00 0.00 O ATOM 0 H GLY A 41 -2.176 -3.418 1.504 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.477 -4.054 3.867 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.044 -5.051 3.718 1.00 0.00 H new ATOM 584 N VAL A 42 -0.880 -2.382 4.927 1.00 0.00 N ATOM 585 CA VAL A 42 -0.113 -1.221 5.367 1.00 0.00 C ATOM 586 C VAL A 42 0.827 -1.547 6.539 1.00 0.00 C ATOM 587 O VAL A 42 1.786 -2.296 6.360 1.00 0.00 O ATOM 588 CB VAL A 42 -1.013 -0.013 5.694 1.00 0.00 C ATOM 589 CG1 VAL A 42 -0.148 1.213 5.990 1.00 0.00 C ATOM 590 CG2 VAL A 42 -1.965 0.279 4.549 1.00 0.00 C ATOM 0 H VAL A 42 -1.583 -2.707 5.591 1.00 0.00 H new ATOM 0 HA VAL A 42 0.513 -0.939 4.521 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.608 -0.253 6.575 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.789 2.064 6.220 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.499 1.005 6.842 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.464 1.446 5.118 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.589 1.135 4.804 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.393 0.502 3.648 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.598 -0.591 4.371 1.00 0.00 H new ATOM 600 N PHE A 43 0.660 -0.871 7.678 1.00 0.00 N ATOM 601 CA PHE A 43 1.582 -1.016 8.783 1.00 0.00 C ATOM 602 C PHE A 43 0.885 -1.182 10.126 1.00 0.00 C ATOM 603 O PHE A 43 -0.114 -0.519 10.411 1.00 0.00 O ATOM 604 CB PHE A 43 2.508 0.200 8.814 1.00 0.00 C ATOM 605 CG PHE A 43 1.840 1.457 9.291 1.00 0.00 C ATOM 606 CD1 PHE A 43 1.515 1.620 10.627 1.00 0.00 C ATOM 607 CD2 PHE A 43 1.547 2.478 8.404 1.00 0.00 C ATOM 608 CE1 PHE A 43 0.900 2.775 11.069 1.00 0.00 C ATOM 609 CE2 PHE A 43 0.935 3.639 8.839 1.00 0.00 C ATOM 610 CZ PHE A 43 0.611 3.787 10.173 1.00 0.00 C ATOM 0 H PHE A 43 -0.107 -0.221 7.849 1.00 0.00 H new ATOM 0 HA PHE A 43 2.152 -1.931 8.622 1.00 0.00 H new ATOM 0 HB2 PHE A 43 3.357 -0.018 9.462 1.00 0.00 H new ATOM 0 HB3 PHE A 43 2.906 0.368 7.813 1.00 0.00 H new ATOM 0 HD1 PHE A 43 1.745 0.835 11.332 1.00 0.00 H new ATOM 0 HD2 PHE A 43 1.799 2.367 7.360 1.00 0.00 H new ATOM 0 HE1 PHE A 43 0.645 2.887 12.113 1.00 0.00 H new ATOM 0 HE2 PHE A 43 0.711 4.428 8.137 1.00 0.00 H new ATOM 0 HZ PHE A 43 0.132 4.692 10.516 1.00 0.00 H new ATOM 620 N ASP A 44 1.454 -2.040 10.966 1.00 0.00 N ATOM 621 CA ASP A 44 0.956 -2.239 12.319 1.00 0.00 C ATOM 622 C ASP A 44 1.919 -1.604 13.316 1.00 0.00 C ATOM 623 O ASP A 44 3.125 -1.837 13.256 1.00 0.00 O ATOM 624 CB ASP A 44 0.803 -3.727 12.622 1.00 0.00 C ATOM 625 CG ASP A 44 -0.456 -4.030 13.411 1.00 0.00 C ATOM 626 OD1 ASP A 44 -1.551 -4.009 12.811 1.00 0.00 O ATOM 627 OD2 ASP A 44 -0.346 -4.287 14.628 1.00 0.00 O ATOM 0 H ASP A 44 2.265 -2.611 10.730 1.00 0.00 H new ATOM 0 HA ASP A 44 -0.022 -1.767 12.405 1.00 0.00 H new ATOM 0 HB2 ASP A 44 0.785 -4.286 11.686 1.00 0.00 H new ATOM 0 HB3 ASP A 44 1.672 -4.072 13.183 1.00 0.00 H new ATOM 632 N ASP A 45 1.390 -0.796 14.226 1.00 0.00 N ATOM 633 CA ASP A 45 2.226 -0.114 15.205 1.00 0.00 C ATOM 634 C ASP A 45 2.178 -0.827 16.560 1.00 0.00 C ATOM 635 O ASP A 45 1.161 -0.787 17.254 1.00 0.00 O ATOM 636 CB ASP A 45 1.768 1.335 15.367 1.00 0.00 C ATOM 637 CG ASP A 45 2.630 2.308 14.587 1.00 0.00 C ATOM 638 OD1 ASP A 45 2.856 2.066 13.383 1.00 0.00 O ATOM 639 OD2 ASP A 45 3.077 3.312 15.180 1.00 0.00 O ATOM 0 H ASP A 45 0.393 -0.598 14.307 1.00 0.00 H new ATOM 0 HA ASP A 45 3.254 -0.131 14.843 1.00 0.00 H new ATOM 0 HB2 ASP A 45 0.734 1.425 15.035 1.00 0.00 H new ATOM 0 HB3 ASP A 45 1.788 1.603 16.423 1.00 0.00 H new ATOM 644 N PRO A 46 3.283 -1.483 16.965 1.00 0.00 N ATOM 645 CA PRO A 46 3.356 -2.214 18.237 1.00 0.00 C ATOM 646 C PRO A 46 3.306 -1.292 19.453 1.00 0.00 C ATOM 647 O PRO A 46 2.700 -1.627 20.471 1.00 0.00 O ATOM 648 CB PRO A 46 4.713 -2.931 18.176 1.00 0.00 C ATOM 649 CG PRO A 46 5.141 -2.853 16.749 1.00 0.00 C ATOM 650 CD PRO A 46 4.537 -1.593 16.206 1.00 0.00 C ATOM 0 HA PRO A 46 2.507 -2.887 18.353 1.00 0.00 H new ATOM 0 HB2 PRO A 46 5.440 -2.451 18.831 1.00 0.00 H new ATOM 0 HB3 PRO A 46 4.625 -3.967 18.503 1.00 0.00 H new ATOM 0 HG2 PRO A 46 6.228 -2.831 16.668 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.797 -3.723 16.190 1.00 0.00 H new ATOM 0 HD2 PRO A 46 5.185 -0.731 16.367 1.00 0.00 H new ATOM 0 HD3 PRO A 46 4.356 -1.660 15.133 1.00 0.00 H new ATOM 658 N GLU A 47 3.954 -0.135 19.347 1.00 0.00 N ATOM 659 CA GLU A 47 3.989 0.825 20.447 1.00 0.00 C ATOM 660 C GLU A 47 2.834 1.821 20.350 1.00 0.00 C ATOM 661 O GLU A 47 3.002 3.011 20.613 1.00 0.00 O ATOM 662 CB GLU A 47 5.323 1.570 20.465 1.00 0.00 C ATOM 663 CG GLU A 47 6.121 1.359 21.743 1.00 0.00 C ATOM 664 CD GLU A 47 7.136 0.240 21.622 1.00 0.00 C ATOM 665 OE1 GLU A 47 6.858 -0.738 20.896 1.00 0.00 O ATOM 666 OE2 GLU A 47 8.210 0.343 22.251 1.00 0.00 O ATOM 0 H GLU A 47 4.461 0.160 18.513 1.00 0.00 H new ATOM 0 HA GLU A 47 3.881 0.268 21.378 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.922 1.245 19.614 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.136 2.636 20.335 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.636 2.284 22.002 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.436 1.136 22.561 1.00 0.00 H new ATOM 673 N ASN A 48 1.655 1.322 19.990 1.00 0.00 N ATOM 674 CA ASN A 48 0.472 2.165 19.872 1.00 0.00 C ATOM 675 C ASN A 48 -0.451 1.975 21.072 1.00 0.00 C ATOM 676 O ASN A 48 -1.672 2.077 20.951 1.00 0.00 O ATOM 677 CB ASN A 48 -0.281 1.848 18.579 1.00 0.00 C ATOM 678 CG ASN A 48 -0.936 0.480 18.609 1.00 0.00 C ATOM 679 OD1 ASN A 48 -0.382 -0.474 19.156 1.00 0.00 O ATOM 680 ND2 ASN A 48 -2.122 0.379 18.022 1.00 0.00 N ATOM 0 H ASN A 48 1.495 0.338 19.775 1.00 0.00 H new ATOM 0 HA ASN A 48 0.798 3.205 19.847 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -1.043 2.609 18.410 1.00 0.00 H new ATOM 0 HB3 ASN A 48 0.411 1.898 17.738 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -2.612 -0.516 18.012 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -2.544 1.196 17.581 1.00 0.00 H new ATOM 687 N ILE A 49 0.141 1.696 22.229 1.00 0.00 N ATOM 688 CA ILE A 49 -0.628 1.491 23.453 1.00 0.00 C ATOM 689 C ILE A 49 -0.183 2.451 24.548 1.00 0.00 C ATOM 690 O ILE A 49 0.738 2.157 25.311 1.00 0.00 O ATOM 691 CB ILE A 49 -0.493 0.045 23.967 1.00 0.00 C ATOM 692 CG1 ILE A 49 0.963 -0.417 23.880 1.00 0.00 C ATOM 693 CG2 ILE A 49 -1.398 -0.888 23.176 1.00 0.00 C ATOM 694 CD1 ILE A 49 1.176 -1.839 24.350 1.00 0.00 C ATOM 0 H ILE A 49 1.150 1.607 22.345 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.672 1.684 23.206 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.802 0.018 25.012 1.00 0.00 H new ATOM 0 HG12 ILE A 49 1.302 -0.330 22.848 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.584 0.251 24.477 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -1.290 -1.905 23.552 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.434 -0.569 23.285 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.119 -0.859 22.123 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.231 -2.098 24.260 1.00 0.00 H new ATOM 0 HD12 ILE A 49 0.868 -1.928 25.392 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.582 -2.517 23.737 1.00 0.00 H new ATOM 706 N SER A 50 -0.843 3.602 24.621 1.00 0.00 N ATOM 707 CA SER A 50 -0.522 4.605 25.630 1.00 0.00 C ATOM 708 C SER A 50 -1.673 4.764 26.617 1.00 0.00 C ATOM 709 O SER A 50 -1.879 5.841 27.177 1.00 0.00 O ATOM 710 CB SER A 50 -0.216 5.948 24.964 1.00 0.00 C ATOM 711 OG SER A 50 -0.882 6.065 23.719 1.00 0.00 O ATOM 0 H SER A 50 -1.603 3.863 23.994 1.00 0.00 H new ATOM 0 HA SER A 50 0.360 4.270 26.176 1.00 0.00 H new ATOM 0 HB2 SER A 50 -0.523 6.761 25.622 1.00 0.00 H new ATOM 0 HB3 SER A 50 0.859 6.047 24.815 1.00 0.00 H new ATOM 0 HG SER A 50 -0.671 6.933 23.315 1.00 0.00 H new ATOM 717 N TYR A 51 -2.424 3.687 26.820 1.00 0.00 N ATOM 718 CA TYR A 51 -3.558 3.709 27.737 1.00 0.00 C ATOM 719 C TYR A 51 -3.563 2.475 28.633 1.00 0.00 C ATOM 720 O TYR A 51 -3.373 2.577 29.846 1.00 0.00 O ATOM 721 CB TYR A 51 -4.872 3.792 26.954 1.00 0.00 C ATOM 722 CG TYR A 51 -6.031 4.319 27.768 1.00 0.00 C ATOM 723 CD1 TYR A 51 -6.123 5.669 28.088 1.00 0.00 C ATOM 724 CD2 TYR A 51 -7.035 3.469 28.214 1.00 0.00 C ATOM 725 CE1 TYR A 51 -7.182 6.155 28.831 1.00 0.00 C ATOM 726 CE2 TYR A 51 -8.098 3.948 28.958 1.00 0.00 C ATOM 727 CZ TYR A 51 -8.167 5.291 29.263 1.00 0.00 C ATOM 728 OH TYR A 51 -9.223 5.771 30.003 1.00 0.00 O ATOM 0 H TYR A 51 -2.268 2.789 26.363 1.00 0.00 H new ATOM 0 HA TYR A 51 -3.462 4.591 28.370 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -4.727 4.435 26.086 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -5.124 2.800 26.578 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -5.355 6.349 27.750 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -6.985 2.417 27.976 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -7.238 7.206 29.072 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -8.870 3.274 29.298 1.00 0.00 H new ATOM 0 HH TYR A 51 -9.828 5.033 30.226 1.00 0.00 H new ATOM 738 N ALA A 52 -3.781 1.311 28.031 1.00 0.00 N ATOM 739 CA ALA A 52 -3.807 0.059 28.777 1.00 0.00 C ATOM 740 C ALA A 52 -2.412 -0.316 29.264 1.00 0.00 C ATOM 741 O ALA A 52 -1.519 0.529 29.330 1.00 0.00 O ATOM 742 CB ALA A 52 -4.386 -1.056 27.920 1.00 0.00 C ATOM 0 H ALA A 52 -3.942 1.209 27.029 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.445 0.198 29.650 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -4.399 -1.984 28.491 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -5.403 -0.797 27.625 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.772 -1.186 27.029 1.00 0.00 H new ATOM 748 N GLY A 53 -2.230 -1.589 29.603 1.00 0.00 N ATOM 749 CA GLY A 53 -0.938 -2.053 30.076 1.00 0.00 C ATOM 750 C GLY A 53 0.200 -1.615 29.175 1.00 0.00 C ATOM 751 O GLY A 53 0.003 -1.392 27.980 1.00 0.00 O ATOM 0 H GLY A 53 -2.953 -2.307 29.559 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -0.766 -1.675 31.084 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.948 -3.141 30.141 1.00 0.00 H new ATOM 755 N GLN A 54 1.392 -1.486 29.748 1.00 0.00 N ATOM 756 CA GLN A 54 2.560 -1.064 28.986 1.00 0.00 C ATOM 757 C GLN A 54 3.847 -1.561 29.638 1.00 0.00 C ATOM 758 O GLN A 54 4.750 -0.779 29.930 1.00 0.00 O ATOM 759 CB GLN A 54 2.591 0.461 28.864 1.00 0.00 C ATOM 760 CG GLN A 54 2.113 1.178 30.114 1.00 0.00 C ATOM 761 CD GLN A 54 3.164 1.210 31.207 1.00 0.00 C ATOM 762 OE1 GLN A 54 4.050 2.064 31.207 1.00 0.00 O ATOM 763 NE2 GLN A 54 3.070 0.274 32.145 1.00 0.00 N ATOM 0 H GLN A 54 1.574 -1.667 30.735 1.00 0.00 H new ATOM 0 HA GLN A 54 2.489 -1.500 27.990 1.00 0.00 H new ATOM 0 HB2 GLN A 54 3.609 0.779 28.639 1.00 0.00 H new ATOM 0 HB3 GLN A 54 1.969 0.763 28.021 1.00 0.00 H new ATOM 0 HG2 GLN A 54 1.830 2.199 29.857 1.00 0.00 H new ATOM 0 HG3 GLN A 54 1.217 0.685 30.491 1.00 0.00 H new ATOM 0 HE21 GLN A 54 2.318 -0.414 32.105 1.00 0.00 H new ATOM 0 HE22 GLN A 54 3.749 0.244 32.905 1.00 0.00 H new ATOM 772 N GLY A 55 3.922 -2.869 29.859 1.00 0.00 N ATOM 773 CA GLY A 55 5.103 -3.454 30.462 1.00 0.00 C ATOM 774 C GLY A 55 5.804 -4.422 29.529 1.00 0.00 C ATOM 775 O GLY A 55 5.888 -5.617 29.810 1.00 0.00 O ATOM 0 H GLY A 55 3.184 -3.535 29.630 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.795 -2.661 30.746 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.821 -3.974 31.378 1.00 0.00 H new ATOM 779 N VAL A 56 6.296 -3.904 28.407 1.00 0.00 N ATOM 780 CA VAL A 56 6.976 -4.732 27.416 1.00 0.00 C ATOM 781 C VAL A 56 8.205 -4.018 26.851 1.00 0.00 C ATOM 782 O VAL A 56 9.308 -4.156 27.382 1.00 0.00 O ATOM 783 CB VAL A 56 6.033 -5.138 26.261 1.00 0.00 C ATOM 784 CG1 VAL A 56 5.391 -6.485 26.550 1.00 0.00 C ATOM 785 CG2 VAL A 56 4.967 -4.073 26.020 1.00 0.00 C ATOM 0 H VAL A 56 6.237 -2.916 28.162 1.00 0.00 H new ATOM 0 HA VAL A 56 7.296 -5.638 27.930 1.00 0.00 H new ATOM 0 HB VAL A 56 6.628 -5.225 25.352 1.00 0.00 H new ATOM 0 HG11 VAL A 56 4.730 -6.757 25.727 1.00 0.00 H new ATOM 0 HG12 VAL A 56 6.167 -7.243 26.657 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.815 -6.423 27.473 1.00 0.00 H new ATOM 0 HG21 VAL A 56 4.318 -4.386 25.202 1.00 0.00 H new ATOM 0 HG22 VAL A 56 4.373 -3.942 26.924 1.00 0.00 H new ATOM 0 HG23 VAL A 56 5.447 -3.129 25.761 1.00 0.00 H new ATOM 795 N ARG A 57 8.016 -3.256 25.776 1.00 0.00 N ATOM 796 CA ARG A 57 9.113 -2.519 25.163 1.00 0.00 C ATOM 797 C ARG A 57 9.534 -1.354 26.037 1.00 0.00 C ATOM 798 O ARG A 57 10.646 -1.333 26.562 1.00 0.00 O ATOM 799 CB ARG A 57 8.707 -1.998 23.783 1.00 0.00 C ATOM 800 CG ARG A 57 8.954 -2.991 22.660 1.00 0.00 C ATOM 801 CD ARG A 57 8.300 -4.334 22.947 1.00 0.00 C ATOM 802 NE ARG A 57 8.613 -5.326 21.921 1.00 0.00 N ATOM 803 CZ ARG A 57 8.137 -6.567 21.925 1.00 0.00 C ATOM 804 NH1 ARG A 57 7.329 -6.967 22.898 1.00 0.00 N ATOM 805 NH2 ARG A 57 8.467 -7.408 20.956 1.00 0.00 N ATOM 0 H ARG A 57 7.115 -3.134 25.314 1.00 0.00 H new ATOM 0 HA ARG A 57 9.954 -3.204 25.055 1.00 0.00 H new ATOM 0 HB2 ARG A 57 7.649 -1.737 23.800 1.00 0.00 H new ATOM 0 HB3 ARG A 57 9.258 -1.081 23.574 1.00 0.00 H new ATOM 0 HG2 ARG A 57 8.564 -2.588 21.725 1.00 0.00 H new ATOM 0 HG3 ARG A 57 10.027 -3.129 22.525 1.00 0.00 H new ATOM 0 HD2 ARG A 57 8.634 -4.699 23.918 1.00 0.00 H new ATOM 0 HD3 ARG A 57 7.219 -4.205 23.009 1.00 0.00 H new ATOM 0 HE ARG A 57 9.232 -5.051 21.158 1.00 0.00 H new ATOM 0 HH11 ARG A 57 7.072 -6.322 23.645 1.00 0.00 H new ATOM 0 HH12 ARG A 57 6.965 -7.920 22.899 1.00 0.00 H new ATOM 0 HH21 ARG A 57 9.087 -7.103 20.206 1.00 0.00 H new ATOM 0 HH22 ARG A 57 8.101 -8.360 20.960 1.00 0.00 H new ATOM 819 N VAL A 58 8.666 -0.351 26.123 1.00 0.00 N ATOM 820 CA VAL A 58 8.962 0.867 26.871 1.00 0.00 C ATOM 821 C VAL A 58 10.350 1.400 26.515 1.00 0.00 C ATOM 822 O VAL A 58 10.962 2.132 27.292 1.00 0.00 O ATOM 823 CB VAL A 58 8.853 0.655 28.392 1.00 0.00 C ATOM 824 CG1 VAL A 58 9.911 -0.313 28.892 1.00 0.00 C ATOM 825 CG2 VAL A 58 8.950 1.986 29.121 1.00 0.00 C ATOM 0 H VAL A 58 7.747 -0.358 25.681 1.00 0.00 H new ATOM 0 HA VAL A 58 8.212 1.604 26.584 1.00 0.00 H new ATOM 0 HB VAL A 58 7.878 0.215 28.602 1.00 0.00 H new ATOM 0 HG11 VAL A 58 9.807 -0.441 29.969 1.00 0.00 H new ATOM 0 HG12 VAL A 58 9.785 -1.277 28.398 1.00 0.00 H new ATOM 0 HG13 VAL A 58 10.901 0.083 28.668 1.00 0.00 H new ATOM 0 HG21 VAL A 58 8.871 1.819 30.195 1.00 0.00 H new ATOM 0 HG22 VAL A 58 9.908 2.455 28.896 1.00 0.00 H new ATOM 0 HG23 VAL A 58 8.141 2.639 28.795 1.00 0.00 H new ATOM 835 N GLU A 59 10.829 1.031 25.321 1.00 0.00 N ATOM 836 CA GLU A 59 12.130 1.475 24.831 1.00 0.00 C ATOM 837 C GLU A 59 12.486 0.785 23.514 1.00 0.00 C ATOM 838 O GLU A 59 13.652 0.479 23.260 1.00 0.00 O ATOM 839 CB GLU A 59 13.226 1.197 25.865 1.00 0.00 C ATOM 840 CG GLU A 59 13.343 -0.269 26.247 1.00 0.00 C ATOM 841 CD GLU A 59 14.703 -0.850 25.914 1.00 0.00 C ATOM 842 OE1 GLU A 59 15.711 -0.133 26.078 1.00 0.00 O ATOM 843 OE2 GLU A 59 14.759 -2.023 25.487 1.00 0.00 O ATOM 0 H GLU A 59 10.327 0.421 24.675 1.00 0.00 H new ATOM 0 HA GLU A 59 12.065 2.550 24.660 1.00 0.00 H new ATOM 0 HB2 GLU A 59 14.183 1.538 25.469 1.00 0.00 H new ATOM 0 HB3 GLU A 59 13.025 1.783 26.762 1.00 0.00 H new ATOM 0 HG2 GLU A 59 13.157 -0.379 27.315 1.00 0.00 H new ATOM 0 HG3 GLU A 59 12.572 -0.839 25.729 1.00 0.00 H new ATOM 850 N GLY A 60 11.480 0.541 22.676 1.00 0.00 N ATOM 851 CA GLY A 60 11.715 -0.109 21.400 1.00 0.00 C ATOM 852 C GLY A 60 10.539 0.038 20.454 1.00 0.00 C ATOM 853 O GLY A 60 10.007 -0.953 19.953 1.00 0.00 O ATOM 0 H GLY A 60 10.506 0.783 22.860 1.00 0.00 H new ATOM 0 HA2 GLY A 60 12.606 0.315 20.937 1.00 0.00 H new ATOM 0 HA3 GLY A 60 11.915 -1.168 21.565 1.00 0.00 H new ATOM 857 N SER A 61 10.129 1.280 20.214 1.00 0.00 N ATOM 858 CA SER A 61 8.998 1.558 19.339 1.00 0.00 C ATOM 859 C SER A 61 9.399 1.495 17.869 1.00 0.00 C ATOM 860 O SER A 61 10.298 2.209 17.425 1.00 0.00 O ATOM 861 CB SER A 61 8.414 2.936 19.658 1.00 0.00 C ATOM 862 OG SER A 61 7.552 3.377 18.624 1.00 0.00 O ATOM 0 H SER A 61 10.565 2.110 20.615 1.00 0.00 H new ATOM 0 HA SER A 61 8.244 0.791 19.517 1.00 0.00 H new ATOM 0 HB2 SER A 61 7.866 2.893 20.599 1.00 0.00 H new ATOM 0 HB3 SER A 61 9.222 3.655 19.793 1.00 0.00 H new ATOM 0 HG SER A 61 7.191 4.259 18.853 1.00 0.00 H new ATOM 868 N SER A 62 8.710 0.642 17.119 1.00 0.00 N ATOM 869 CA SER A 62 8.958 0.491 15.690 1.00 0.00 C ATOM 870 C SER A 62 7.759 -0.155 15.016 1.00 0.00 C ATOM 871 O SER A 62 7.161 -1.083 15.560 1.00 0.00 O ATOM 872 CB SER A 62 10.198 -0.362 15.440 1.00 0.00 C ATOM 873 OG SER A 62 11.327 0.445 15.156 1.00 0.00 O ATOM 0 H SER A 62 7.970 0.040 17.481 1.00 0.00 H new ATOM 0 HA SER A 62 9.123 1.483 15.270 1.00 0.00 H new ATOM 0 HB2 SER A 62 10.400 -0.979 16.315 1.00 0.00 H new ATOM 0 HB3 SER A 62 10.014 -1.040 14.607 1.00 0.00 H new ATOM 0 HG SER A 62 11.550 0.372 14.205 1.00 0.00 H new ATOM 879 N PRO A 63 7.416 0.290 13.801 1.00 0.00 N ATOM 880 CA PRO A 63 6.265 -0.216 13.081 1.00 0.00 C ATOM 881 C PRO A 63 6.626 -1.256 12.031 1.00 0.00 C ATOM 882 O PRO A 63 7.718 -1.238 11.468 1.00 0.00 O ATOM 883 CB PRO A 63 5.749 1.046 12.418 1.00 0.00 C ATOM 884 CG PRO A 63 6.995 1.764 12.027 1.00 0.00 C ATOM 885 CD PRO A 63 8.038 1.410 13.072 1.00 0.00 C ATOM 0 HA PRO A 63 5.554 -0.728 13.729 1.00 0.00 H new ATOM 0 HB2 PRO A 63 5.127 0.820 11.552 1.00 0.00 H new ATOM 0 HB3 PRO A 63 5.141 1.639 13.101 1.00 0.00 H new ATOM 0 HG2 PRO A 63 7.323 1.461 11.033 1.00 0.00 H new ATOM 0 HG3 PRO A 63 6.829 2.841 11.993 1.00 0.00 H new ATOM 0 HD2 PRO A 63 8.983 1.118 12.615 1.00 0.00 H new ATOM 0 HD3 PRO A 63 8.250 2.252 13.731 1.00 0.00 H new ATOM 893 N SER A 64 5.695 -2.161 11.777 1.00 0.00 N ATOM 894 CA SER A 64 5.882 -3.208 10.783 1.00 0.00 C ATOM 895 C SER A 64 4.817 -3.093 9.702 1.00 0.00 C ATOM 896 O SER A 64 3.876 -2.315 9.839 1.00 0.00 O ATOM 897 CB SER A 64 5.863 -4.593 11.437 1.00 0.00 C ATOM 898 OG SER A 64 5.260 -5.558 10.591 1.00 0.00 O ATOM 0 H SER A 64 4.792 -2.192 12.251 1.00 0.00 H new ATOM 0 HA SER A 64 6.860 -3.081 10.318 1.00 0.00 H new ATOM 0 HB2 SER A 64 6.882 -4.900 11.672 1.00 0.00 H new ATOM 0 HB3 SER A 64 5.319 -4.544 12.380 1.00 0.00 H new ATOM 0 HG SER A 64 5.265 -6.431 11.036 1.00 0.00 H new ATOM 904 N LEU A 65 4.990 -3.830 8.611 1.00 0.00 N ATOM 905 CA LEU A 65 4.071 -3.735 7.487 1.00 0.00 C ATOM 906 C LEU A 65 3.259 -5.016 7.329 1.00 0.00 C ATOM 907 O LEU A 65 3.746 -6.123 7.562 1.00 0.00 O ATOM 908 CB LEU A 65 4.835 -3.402 6.192 1.00 0.00 C ATOM 909 CG LEU A 65 4.187 -3.899 4.886 1.00 0.00 C ATOM 910 CD1 LEU A 65 4.597 -3.033 3.704 1.00 0.00 C ATOM 911 CD2 LEU A 65 4.551 -5.354 4.635 1.00 0.00 C ATOM 0 H LEU A 65 5.753 -4.495 8.482 1.00 0.00 H new ATOM 0 HA LEU A 65 3.371 -2.924 7.689 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.952 -2.320 6.129 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.836 -3.827 6.263 1.00 0.00 H new ATOM 0 HG LEU A 65 3.105 -3.823 4.995 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.124 -3.408 2.797 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.281 -2.005 3.879 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.680 -3.065 3.588 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.086 -5.691 3.709 1.00 0.00 H new ATOM 0 HD22 LEU A 65 5.634 -5.449 4.553 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.195 -5.966 5.463 1.00 0.00 H new ATOM 923 N PHE A 66 1.987 -4.821 7.013 1.00 0.00 N ATOM 924 CA PHE A 66 1.038 -5.907 6.841 1.00 0.00 C ATOM 925 C PHE A 66 0.943 -6.296 5.375 1.00 0.00 C ATOM 926 O PHE A 66 0.925 -5.434 4.498 1.00 0.00 O ATOM 927 CB PHE A 66 -0.338 -5.479 7.367 1.00 0.00 C ATOM 928 CG PHE A 66 -1.444 -6.442 7.033 1.00 0.00 C ATOM 929 CD1 PHE A 66 -1.520 -7.675 7.662 1.00 0.00 C ATOM 930 CD2 PHE A 66 -2.406 -6.112 6.093 1.00 0.00 C ATOM 931 CE1 PHE A 66 -2.535 -8.562 7.356 1.00 0.00 C ATOM 932 CE2 PHE A 66 -3.424 -6.995 5.783 1.00 0.00 C ATOM 933 CZ PHE A 66 -3.488 -8.221 6.415 1.00 0.00 C ATOM 0 H PHE A 66 1.583 -3.896 6.868 1.00 0.00 H new ATOM 0 HA PHE A 66 1.382 -6.773 7.407 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.283 -5.365 8.450 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -0.585 -4.500 6.956 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.778 -7.945 8.399 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -2.361 -5.154 5.596 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -2.583 -9.520 7.852 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -4.168 -6.726 5.048 1.00 0.00 H new ATOM 0 HZ PHE A 66 -4.282 -8.913 6.174 1.00 0.00 H new ATOM 943 N VAL A 67 0.952 -7.593 5.109 1.00 0.00 N ATOM 944 CA VAL A 67 0.874 -8.080 3.743 1.00 0.00 C ATOM 945 C VAL A 67 -0.152 -9.199 3.618 1.00 0.00 C ATOM 946 O VAL A 67 -0.326 -10.002 4.535 1.00 0.00 O ATOM 947 CB VAL A 67 2.244 -8.558 3.245 1.00 0.00 C ATOM 948 CG1 VAL A 67 2.720 -9.759 4.048 1.00 0.00 C ATOM 949 CG2 VAL A 67 2.192 -8.883 1.760 1.00 0.00 C ATOM 0 H VAL A 67 1.012 -8.323 5.818 1.00 0.00 H new ATOM 0 HA VAL A 67 0.554 -7.247 3.117 1.00 0.00 H new ATOM 0 HB VAL A 67 2.961 -7.750 3.390 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.693 -10.081 3.678 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.804 -9.483 5.099 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.004 -10.574 3.943 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.174 -9.220 1.427 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.459 -9.671 1.585 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.906 -7.991 1.202 1.00 0.00 H new ATOM 959 N ARG A 68 -0.857 -9.220 2.492 1.00 0.00 N ATOM 960 CA ARG A 68 -1.914 -10.195 2.271 1.00 0.00 C ATOM 961 C ARG A 68 -1.466 -11.322 1.344 1.00 0.00 C ATOM 962 O ARG A 68 -2.253 -11.819 0.539 1.00 0.00 O ATOM 963 CB ARG A 68 -3.142 -9.496 1.686 1.00 0.00 C ATOM 964 CG ARG A 68 -3.988 -8.791 2.732 1.00 0.00 C ATOM 965 CD ARG A 68 -4.764 -9.779 3.583 1.00 0.00 C ATOM 966 NE ARG A 68 -5.465 -10.770 2.770 1.00 0.00 N ATOM 967 CZ ARG A 68 -5.936 -11.917 3.249 1.00 0.00 C ATOM 968 NH1 ARG A 68 -5.782 -12.216 4.531 1.00 0.00 N ATOM 969 NH2 ARG A 68 -6.561 -12.766 2.445 1.00 0.00 N ATOM 0 H ARG A 68 -0.714 -8.571 1.718 1.00 0.00 H new ATOM 0 HA ARG A 68 -2.163 -10.642 3.233 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -2.817 -8.769 0.941 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -3.757 -10.231 1.167 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -3.346 -8.185 3.371 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -4.682 -8.110 2.240 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.080 -10.287 4.263 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -5.484 -9.240 4.198 1.00 0.00 H new ATOM 0 HE ARG A 68 -5.601 -10.570 1.779 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -5.301 -11.565 5.152 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -6.144 -13.097 4.896 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -6.681 -12.539 1.458 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -6.922 -13.646 2.814 1.00 0.00 H new ATOM 983 N THR A 69 -0.209 -11.741 1.472 1.00 0.00 N ATOM 984 CA THR A 69 0.313 -12.829 0.649 1.00 0.00 C ATOM 985 C THR A 69 1.623 -13.388 1.225 1.00 0.00 C ATOM 986 O THR A 69 1.594 -14.142 2.198 1.00 0.00 O ATOM 987 CB THR A 69 0.493 -12.361 -0.799 1.00 0.00 C ATOM 988 OG1 THR A 69 -0.746 -11.955 -1.354 1.00 0.00 O ATOM 989 CG2 THR A 69 1.075 -13.424 -1.704 1.00 0.00 C ATOM 0 H THR A 69 0.462 -11.348 2.132 1.00 0.00 H new ATOM 0 HA THR A 69 -0.413 -13.642 0.657 1.00 0.00 H new ATOM 0 HB THR A 69 1.194 -11.528 -0.747 1.00 0.00 H new ATOM 0 HG1 THR A 69 -1.479 -12.278 -0.790 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.176 -13.027 -2.714 1.00 0.00 H new ATOM 0 HG22 THR A 69 2.055 -13.722 -1.332 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.414 -14.290 -1.719 1.00 0.00 H new ATOM 997 N ASP A 70 2.768 -13.038 0.626 1.00 0.00 N ATOM 998 CA ASP A 70 4.060 -13.535 1.095 1.00 0.00 C ATOM 999 C ASP A 70 5.196 -13.004 0.224 1.00 0.00 C ATOM 1000 O ASP A 70 6.163 -13.714 -0.051 1.00 0.00 O ATOM 1001 CB ASP A 70 4.079 -15.066 1.084 1.00 0.00 C ATOM 1002 CG ASP A 70 5.350 -15.631 1.687 1.00 0.00 C ATOM 1003 OD1 ASP A 70 6.068 -14.875 2.376 1.00 0.00 O ATOM 1004 OD2 ASP A 70 5.626 -16.830 1.474 1.00 0.00 O ATOM 0 H ASP A 70 2.823 -12.416 -0.180 1.00 0.00 H new ATOM 0 HA ASP A 70 4.205 -13.181 2.116 1.00 0.00 H new ATOM 0 HB2 ASP A 70 3.219 -15.442 1.638 1.00 0.00 H new ATOM 0 HB3 ASP A 70 3.977 -15.421 0.058 1.00 0.00 H new ATOM 1009 N GLU A 71 5.064 -11.759 -0.218 1.00 0.00 N ATOM 1010 CA GLU A 71 6.080 -11.131 -1.050 1.00 0.00 C ATOM 1011 C GLU A 71 6.988 -10.252 -0.202 1.00 0.00 C ATOM 1012 O GLU A 71 8.213 -10.329 -0.302 1.00 0.00 O ATOM 1013 CB GLU A 71 5.426 -10.303 -2.158 1.00 0.00 C ATOM 1014 CG GLU A 71 5.541 -10.935 -3.536 1.00 0.00 C ATOM 1015 CD GLU A 71 4.515 -10.398 -4.514 1.00 0.00 C ATOM 1016 OE1 GLU A 71 3.543 -9.757 -4.063 1.00 0.00 O ATOM 1017 OE2 GLU A 71 4.683 -10.620 -5.732 1.00 0.00 O ATOM 0 H GLU A 71 4.261 -11.164 -0.013 1.00 0.00 H new ATOM 0 HA GLU A 71 6.682 -11.914 -1.511 1.00 0.00 H new ATOM 0 HB2 GLU A 71 4.372 -10.160 -1.920 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.885 -9.315 -2.181 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.541 -10.756 -3.931 1.00 0.00 H new ATOM 0 HG3 GLU A 71 5.422 -12.015 -3.447 1.00 0.00 H new ATOM 1024 N VAL A 72 6.381 -9.436 0.651 1.00 0.00 N ATOM 1025 CA VAL A 72 7.138 -8.571 1.544 1.00 0.00 C ATOM 1026 C VAL A 72 8.158 -9.384 2.326 1.00 0.00 C ATOM 1027 O VAL A 72 9.272 -8.926 2.580 1.00 0.00 O ATOM 1028 CB VAL A 72 6.218 -7.837 2.524 1.00 0.00 C ATOM 1029 CG1 VAL A 72 5.276 -6.911 1.769 1.00 0.00 C ATOM 1030 CG2 VAL A 72 5.450 -8.836 3.375 1.00 0.00 C ATOM 0 H VAL A 72 5.368 -9.356 0.742 1.00 0.00 H new ATOM 0 HA VAL A 72 7.650 -7.832 0.929 1.00 0.00 H new ATOM 0 HB VAL A 72 6.825 -7.226 3.192 1.00 0.00 H new ATOM 0 HG11 VAL A 72 4.628 -6.395 2.477 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.857 -6.178 1.209 1.00 0.00 H new ATOM 0 HG13 VAL A 72 4.667 -7.495 1.079 1.00 0.00 H new ATOM 0 HG21 VAL A 72 4.800 -8.301 4.067 1.00 0.00 H new ATOM 0 HG22 VAL A 72 4.846 -9.475 2.730 1.00 0.00 H new ATOM 0 HG23 VAL A 72 6.153 -9.450 3.938 1.00 0.00 H new ATOM 1040 N ARG A 73 7.782 -10.612 2.667 1.00 0.00 N ATOM 1041 CA ARG A 73 8.688 -11.523 3.347 1.00 0.00 C ATOM 1042 C ARG A 73 9.976 -11.659 2.543 1.00 0.00 C ATOM 1043 O ARG A 73 11.058 -11.859 3.095 1.00 0.00 O ATOM 1044 CB ARG A 73 8.025 -12.892 3.505 1.00 0.00 C ATOM 1045 CG ARG A 73 8.573 -13.713 4.658 1.00 0.00 C ATOM 1046 CD ARG A 73 9.871 -14.408 4.279 1.00 0.00 C ATOM 1047 NE ARG A 73 9.706 -15.855 4.175 1.00 0.00 N ATOM 1048 CZ ARG A 73 10.615 -16.663 3.639 1.00 0.00 C ATOM 1049 NH1 ARG A 73 11.748 -16.167 3.161 1.00 0.00 N ATOM 1050 NH2 ARG A 73 10.391 -17.969 3.580 1.00 0.00 N ATOM 0 H ARG A 73 6.856 -10.997 2.483 1.00 0.00 H new ATOM 0 HA ARG A 73 8.923 -11.127 4.335 1.00 0.00 H new ATOM 0 HB2 ARG A 73 6.954 -12.751 3.649 1.00 0.00 H new ATOM 0 HB3 ARG A 73 8.151 -13.454 2.580 1.00 0.00 H new ATOM 0 HG2 ARG A 73 8.743 -13.066 5.518 1.00 0.00 H new ATOM 0 HG3 ARG A 73 7.835 -14.457 4.960 1.00 0.00 H new ATOM 0 HD2 ARG A 73 10.229 -14.014 3.327 1.00 0.00 H new ATOM 0 HD3 ARG A 73 10.634 -14.183 5.024 1.00 0.00 H new ATOM 0 HE ARG A 73 8.845 -16.269 4.534 1.00 0.00 H new ATOM 0 HH11 ARG A 73 11.924 -15.163 3.204 1.00 0.00 H new ATOM 0 HH12 ARG A 73 12.444 -16.789 2.750 1.00 0.00 H new ATOM 0 HH21 ARG A 73 9.520 -18.354 3.946 1.00 0.00 H new ATOM 0 HH22 ARG A 73 11.089 -18.588 3.168 1.00 0.00 H new ATOM 1064 N GLN A 74 9.838 -11.524 1.229 1.00 0.00 N ATOM 1065 CA GLN A 74 10.964 -11.611 0.310 1.00 0.00 C ATOM 1066 C GLN A 74 11.602 -10.242 0.089 1.00 0.00 C ATOM 1067 O GLN A 74 12.746 -10.149 -0.356 1.00 0.00 O ATOM 1068 CB GLN A 74 10.489 -12.186 -1.026 1.00 0.00 C ATOM 1069 CG GLN A 74 9.446 -13.283 -0.881 1.00 0.00 C ATOM 1070 CD GLN A 74 9.443 -14.243 -2.055 1.00 0.00 C ATOM 1071 OE1 GLN A 74 10.044 -13.972 -3.095 1.00 0.00 O ATOM 1072 NE2 GLN A 74 8.768 -15.374 -1.892 1.00 0.00 N ATOM 0 H GLN A 74 8.943 -11.351 0.772 1.00 0.00 H new ATOM 0 HA GLN A 74 11.716 -12.267 0.747 1.00 0.00 H new ATOM 0 HB2 GLN A 74 10.075 -11.380 -1.632 1.00 0.00 H new ATOM 0 HB3 GLN A 74 11.348 -12.582 -1.567 1.00 0.00 H new ATOM 0 HG2 GLN A 74 9.634 -13.839 0.038 1.00 0.00 H new ATOM 0 HG3 GLN A 74 8.459 -12.831 -0.784 1.00 0.00 H new ATOM 0 HE21 GLN A 74 8.284 -15.557 -1.013 1.00 0.00 H new ATOM 0 HE22 GLN A 74 8.733 -16.060 -2.646 1.00 0.00 H new ATOM 1081 N LEU A 75 10.856 -9.184 0.401 1.00 0.00 N ATOM 1082 CA LEU A 75 11.349 -7.823 0.251 1.00 0.00 C ATOM 1083 C LEU A 75 12.499 -7.553 1.215 1.00 0.00 C ATOM 1084 O LEU A 75 12.368 -6.767 2.153 1.00 0.00 O ATOM 1085 CB LEU A 75 10.223 -6.820 0.482 1.00 0.00 C ATOM 1086 CG LEU A 75 9.488 -6.392 -0.756 1.00 0.00 C ATOM 1087 CD1 LEU A 75 9.155 -7.602 -1.620 1.00 0.00 C ATOM 1088 CD2 LEU A 75 8.222 -5.657 -0.349 1.00 0.00 C ATOM 0 H LEU A 75 9.904 -9.248 0.761 1.00 0.00 H new ATOM 0 HA LEU A 75 11.720 -7.707 -0.768 1.00 0.00 H new ATOM 0 HB2 LEU A 75 9.507 -7.255 1.179 1.00 0.00 H new ATOM 0 HB3 LEU A 75 10.639 -5.935 0.963 1.00 0.00 H new ATOM 0 HG LEU A 75 10.118 -5.725 -1.344 1.00 0.00 H new ATOM 0 HD11 LEU A 75 8.623 -7.276 -2.513 1.00 0.00 H new ATOM 0 HD12 LEU A 75 10.077 -8.106 -1.911 1.00 0.00 H new ATOM 0 HD13 LEU A 75 8.527 -8.291 -1.055 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.681 -5.342 -1.241 1.00 0.00 H new ATOM 0 HD22 LEU A 75 7.591 -6.320 0.243 1.00 0.00 H new ATOM 0 HD23 LEU A 75 8.485 -4.781 0.244 1.00 0.00 H new ATOM 1100 N ARG A 76 13.622 -8.220 0.980 1.00 0.00 N ATOM 1101 CA ARG A 76 14.795 -8.076 1.830 1.00 0.00 C ATOM 1102 C ARG A 76 15.323 -6.644 1.799 1.00 0.00 C ATOM 1103 O ARG A 76 15.149 -5.927 0.814 1.00 0.00 O ATOM 1104 CB ARG A 76 15.882 -9.057 1.386 1.00 0.00 C ATOM 1105 CG ARG A 76 15.371 -10.477 1.173 1.00 0.00 C ATOM 1106 CD ARG A 76 15.850 -11.410 2.275 1.00 0.00 C ATOM 1107 NE ARG A 76 15.257 -12.740 2.165 1.00 0.00 N ATOM 1108 CZ ARG A 76 15.669 -13.660 1.298 1.00 0.00 C ATOM 1109 NH1 ARG A 76 16.667 -13.394 0.469 1.00 0.00 N ATOM 1110 NH2 ARG A 76 15.079 -14.848 1.259 1.00 0.00 N ATOM 0 H ARG A 76 13.744 -8.869 0.203 1.00 0.00 H new ATOM 0 HA ARG A 76 14.507 -8.303 2.857 1.00 0.00 H new ATOM 0 HB2 ARG A 76 16.328 -8.697 0.459 1.00 0.00 H new ATOM 0 HB3 ARG A 76 16.674 -9.073 2.135 1.00 0.00 H new ATOM 0 HG2 ARG A 76 14.281 -10.473 1.146 1.00 0.00 H new ATOM 0 HG3 ARG A 76 15.713 -10.847 0.206 1.00 0.00 H new ATOM 0 HD2 ARG A 76 16.936 -11.493 2.232 1.00 0.00 H new ATOM 0 HD3 ARG A 76 15.601 -10.982 3.246 1.00 0.00 H new ATOM 0 HE ARG A 76 14.484 -12.976 2.788 1.00 0.00 H new ATOM 0 HH11 ARG A 76 17.122 -12.481 0.495 1.00 0.00 H new ATOM 0 HH12 ARG A 76 16.981 -14.102 -0.195 1.00 0.00 H new ATOM 0 HH21 ARG A 76 14.309 -15.056 1.894 1.00 0.00 H new ATOM 0 HH22 ARG A 76 15.396 -15.553 0.594 1.00 0.00 H new ATOM 1124 N ARG A 77 15.962 -6.232 2.892 1.00 0.00 N ATOM 1125 CA ARG A 77 16.502 -4.883 3.015 1.00 0.00 C ATOM 1126 C ARG A 77 17.224 -4.438 1.747 1.00 0.00 C ATOM 1127 O ARG A 77 18.000 -5.195 1.163 1.00 0.00 O ATOM 1128 CB ARG A 77 17.464 -4.826 4.198 1.00 0.00 C ATOM 1129 CG ARG A 77 17.688 -3.427 4.740 1.00 0.00 C ATOM 1130 CD ARG A 77 18.417 -3.470 6.071 1.00 0.00 C ATOM 1131 NE ARG A 77 18.270 -2.226 6.820 1.00 0.00 N ATOM 1132 CZ ARG A 77 19.034 -1.896 7.857 1.00 0.00 C ATOM 1133 NH1 ARG A 77 19.993 -2.717 8.264 1.00 0.00 N ATOM 1134 NH2 ARG A 77 18.839 -0.747 8.488 1.00 0.00 N ATOM 0 H ARG A 77 16.118 -6.820 3.711 1.00 0.00 H new ATOM 0 HA ARG A 77 15.665 -4.203 3.175 1.00 0.00 H new ATOM 0 HB2 ARG A 77 17.079 -5.458 4.998 1.00 0.00 H new ATOM 0 HB3 ARG A 77 18.423 -5.246 3.895 1.00 0.00 H new ATOM 0 HG2 ARG A 77 18.266 -2.844 4.023 1.00 0.00 H new ATOM 0 HG3 ARG A 77 16.729 -2.923 4.862 1.00 0.00 H new ATOM 0 HD2 ARG A 77 18.034 -4.298 6.667 1.00 0.00 H new ATOM 0 HD3 ARG A 77 19.475 -3.665 5.898 1.00 0.00 H new ATOM 0 HE ARG A 77 17.541 -1.574 6.532 1.00 0.00 H new ATOM 0 HH11 ARG A 77 20.145 -3.603 7.781 1.00 0.00 H new ATOM 0 HH12 ARG A 77 20.578 -2.463 9.060 1.00 0.00 H new ATOM 0 HH21 ARG A 77 18.102 -0.114 8.178 1.00 0.00 H new ATOM 0 HH22 ARG A 77 19.426 -0.496 9.283 1.00 0.00 H new ATOM 1148 N GLY A 78 16.992 -3.189 1.350 1.00 0.00 N ATOM 1149 CA GLY A 78 17.637 -2.654 0.164 1.00 0.00 C ATOM 1150 C GLY A 78 16.699 -2.606 -1.024 1.00 0.00 C ATOM 1151 O GLY A 78 17.113 -2.818 -2.162 1.00 0.00 O ATOM 0 H GLY A 78 16.369 -2.539 1.829 1.00 0.00 H new ATOM 0 HA2 GLY A 78 18.006 -1.650 0.374 1.00 0.00 H new ATOM 0 HA3 GLY A 78 18.504 -3.267 -0.084 1.00 0.00 H new ATOM 1155 N ASP A 79 15.430 -2.338 -0.749 1.00 0.00 N ATOM 1156 CA ASP A 79 14.414 -2.281 -1.789 1.00 0.00 C ATOM 1157 C ASP A 79 13.430 -1.142 -1.537 1.00 0.00 C ATOM 1158 O ASP A 79 13.132 -0.806 -0.391 1.00 0.00 O ATOM 1159 CB ASP A 79 13.658 -3.610 -1.849 1.00 0.00 C ATOM 1160 CG ASP A 79 14.515 -4.743 -2.380 1.00 0.00 C ATOM 1161 OD1 ASP A 79 15.548 -4.456 -3.020 1.00 0.00 O ATOM 1162 OD2 ASP A 79 14.152 -5.916 -2.156 1.00 0.00 O ATOM 0 H ASP A 79 15.079 -2.156 0.191 1.00 0.00 H new ATOM 0 HA ASP A 79 14.913 -2.098 -2.741 1.00 0.00 H new ATOM 0 HB2 ASP A 79 13.300 -3.866 -0.852 1.00 0.00 H new ATOM 0 HB3 ASP A 79 12.779 -3.496 -2.483 1.00 0.00 H new ATOM 1167 N THR A 80 12.919 -0.564 -2.617 1.00 0.00 N ATOM 1168 CA THR A 80 11.936 0.512 -2.522 1.00 0.00 C ATOM 1169 C THR A 80 10.582 0.019 -3.019 1.00 0.00 C ATOM 1170 O THR A 80 10.516 -0.880 -3.857 1.00 0.00 O ATOM 1171 CB THR A 80 12.385 1.723 -3.340 1.00 0.00 C ATOM 1172 OG1 THR A 80 13.751 2.013 -3.098 1.00 0.00 O ATOM 1173 CG2 THR A 80 11.589 2.975 -3.048 1.00 0.00 C ATOM 0 H THR A 80 13.169 -0.822 -3.572 1.00 0.00 H new ATOM 0 HA THR A 80 11.848 0.814 -1.478 1.00 0.00 H new ATOM 0 HB THR A 80 12.219 1.445 -4.381 1.00 0.00 H new ATOM 0 HG1 THR A 80 14.020 2.790 -3.632 1.00 0.00 H new ATOM 0 HG21 THR A 80 11.961 3.794 -3.663 1.00 0.00 H new ATOM 0 HG22 THR A 80 10.538 2.799 -3.275 1.00 0.00 H new ATOM 0 HG23 THR A 80 11.694 3.235 -1.995 1.00 0.00 H new ATOM 1181 N LEU A 81 9.502 0.576 -2.482 1.00 0.00 N ATOM 1182 CA LEU A 81 8.169 0.154 -2.877 1.00 0.00 C ATOM 1183 C LEU A 81 7.220 1.348 -2.868 1.00 0.00 C ATOM 1184 O LEU A 81 7.453 2.323 -2.157 1.00 0.00 O ATOM 1185 CB LEU A 81 7.654 -0.964 -1.949 1.00 0.00 C ATOM 1186 CG LEU A 81 8.626 -1.425 -0.854 1.00 0.00 C ATOM 1187 CD1 LEU A 81 7.857 -1.907 0.367 1.00 0.00 C ATOM 1188 CD2 LEU A 81 9.550 -2.503 -1.387 1.00 0.00 C ATOM 0 H LEU A 81 9.525 1.314 -1.778 1.00 0.00 H new ATOM 0 HA LEU A 81 8.214 -0.247 -3.890 1.00 0.00 H new ATOM 0 HB2 LEU A 81 6.736 -0.620 -1.472 1.00 0.00 H new ATOM 0 HB3 LEU A 81 7.391 -1.826 -2.562 1.00 0.00 H new ATOM 0 HG LEU A 81 9.242 -0.579 -0.549 1.00 0.00 H new ATOM 0 HD11 LEU A 81 8.559 -2.231 1.135 1.00 0.00 H new ATOM 0 HD12 LEU A 81 7.244 -1.094 0.755 1.00 0.00 H new ATOM 0 HD13 LEU A 81 7.216 -2.743 0.087 1.00 0.00 H new ATOM 0 HD21 LEU A 81 10.233 -2.819 -0.599 1.00 0.00 H new ATOM 0 HD22 LEU A 81 8.959 -3.357 -1.719 1.00 0.00 H new ATOM 0 HD23 LEU A 81 10.123 -2.109 -2.227 1.00 0.00 H new ATOM 1200 N THR A 82 6.180 1.296 -3.695 1.00 0.00 N ATOM 1201 CA THR A 82 5.232 2.401 -3.789 1.00 0.00 C ATOM 1202 C THR A 82 3.857 2.003 -3.269 1.00 0.00 C ATOM 1203 O THR A 82 3.223 1.105 -3.813 1.00 0.00 O ATOM 1204 CB THR A 82 5.105 2.867 -5.238 1.00 0.00 C ATOM 1205 OG1 THR A 82 5.406 1.811 -6.134 1.00 0.00 O ATOM 1206 CG2 THR A 82 6.001 4.032 -5.580 1.00 0.00 C ATOM 0 H THR A 82 5.973 0.506 -4.306 1.00 0.00 H new ATOM 0 HA THR A 82 5.615 3.213 -3.171 1.00 0.00 H new ATOM 0 HB THR A 82 4.070 3.191 -5.343 1.00 0.00 H new ATOM 0 HG1 THR A 82 5.317 2.129 -7.057 1.00 0.00 H new ATOM 0 HG21 THR A 82 5.857 4.308 -6.625 1.00 0.00 H new ATOM 0 HG22 THR A 82 5.753 4.881 -4.943 1.00 0.00 H new ATOM 0 HG23 THR A 82 7.042 3.750 -5.420 1.00 0.00 H new ATOM 1214 N ILE A 83 3.378 2.713 -2.250 1.00 0.00 N ATOM 1215 CA ILE A 83 2.066 2.420 -1.671 1.00 0.00 C ATOM 1216 C ILE A 83 1.210 3.676 -1.539 1.00 0.00 C ATOM 1217 O ILE A 83 1.693 4.727 -1.123 1.00 0.00 O ATOM 1218 CB ILE A 83 2.196 1.744 -0.289 1.00 0.00 C ATOM 1219 CG1 ILE A 83 0.841 1.206 0.182 1.00 0.00 C ATOM 1220 CG2 ILE A 83 2.766 2.711 0.730 1.00 0.00 C ATOM 1221 CD1 ILE A 83 0.854 0.695 1.609 1.00 0.00 C ATOM 0 H ILE A 83 3.873 3.489 -1.810 1.00 0.00 H new ATOM 0 HA ILE A 83 1.574 1.733 -2.359 1.00 0.00 H new ATOM 0 HB ILE A 83 2.883 0.904 -0.387 1.00 0.00 H new ATOM 0 HG12 ILE A 83 0.095 1.996 0.095 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.529 0.399 -0.481 1.00 0.00 H new ATOM 0 HG21 ILE A 83 2.849 2.214 1.697 1.00 0.00 H new ATOM 0 HG22 ILE A 83 3.753 3.041 0.406 1.00 0.00 H new ATOM 0 HG23 ILE A 83 2.106 3.574 0.821 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -0.138 0.330 1.874 1.00 0.00 H new ATOM 0 HD12 ILE A 83 1.575 -0.117 1.698 1.00 0.00 H new ATOM 0 HD13 ILE A 83 1.134 1.505 2.283 1.00 0.00 H new ATOM 1233 N GLY A 84 -0.070 3.553 -1.898 1.00 0.00 N ATOM 1234 CA GLY A 84 -0.995 4.673 -1.803 1.00 0.00 C ATOM 1235 C GLY A 84 -0.384 5.979 -2.262 1.00 0.00 C ATOM 1236 O GLY A 84 -0.416 6.308 -3.448 1.00 0.00 O ATOM 0 H GLY A 84 -0.483 2.691 -2.255 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -1.879 4.460 -2.404 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -1.328 4.776 -0.770 1.00 0.00 H new ATOM 1240 N GLU A 85 0.183 6.718 -1.318 1.00 0.00 N ATOM 1241 CA GLU A 85 0.855 7.971 -1.632 1.00 0.00 C ATOM 1242 C GLU A 85 1.892 7.739 -2.726 1.00 0.00 C ATOM 1243 O GLU A 85 2.102 8.603 -3.574 1.00 0.00 O ATOM 1244 CB GLU A 85 1.524 8.549 -0.383 1.00 0.00 C ATOM 1245 CG GLU A 85 0.608 8.613 0.830 1.00 0.00 C ATOM 1246 CD GLU A 85 -0.603 9.497 0.602 1.00 0.00 C ATOM 1247 OE1 GLU A 85 -1.543 9.049 -0.087 1.00 0.00 O ATOM 1248 OE2 GLU A 85 -0.611 10.637 1.114 1.00 0.00 O ATOM 0 H GLU A 85 0.191 6.471 -0.328 1.00 0.00 H new ATOM 0 HA GLU A 85 0.115 8.688 -1.987 1.00 0.00 H new ATOM 0 HB2 GLU A 85 2.396 7.944 -0.136 1.00 0.00 H new ATOM 0 HB3 GLU A 85 1.885 9.553 -0.607 1.00 0.00 H new ATOM 0 HG2 GLU A 85 0.276 7.606 1.083 1.00 0.00 H new ATOM 0 HG3 GLU A 85 1.170 8.987 1.686 1.00 0.00 H new ATOM 1255 N GLU A 86 2.489 6.536 -2.690 1.00 0.00 N ATOM 1256 CA GLU A 86 3.491 6.054 -3.661 1.00 0.00 C ATOM 1257 C GLU A 86 4.840 5.816 -3.006 1.00 0.00 C ATOM 1258 O GLU A 86 5.864 5.859 -3.679 1.00 0.00 O ATOM 1259 CB GLU A 86 3.705 6.985 -4.863 1.00 0.00 C ATOM 1260 CG GLU A 86 2.563 7.006 -5.868 1.00 0.00 C ATOM 1261 CD GLU A 86 1.865 5.665 -6.022 1.00 0.00 C ATOM 1262 OE1 GLU A 86 2.309 4.859 -6.865 1.00 0.00 O ATOM 1263 OE2 GLU A 86 0.877 5.424 -5.299 1.00 0.00 O ATOM 0 H GLU A 86 2.283 5.850 -1.964 1.00 0.00 H new ATOM 0 HA GLU A 86 3.070 5.119 -4.030 1.00 0.00 H new ATOM 0 HB2 GLU A 86 3.865 7.999 -4.495 1.00 0.00 H new ATOM 0 HB3 GLU A 86 4.618 6.685 -5.378 1.00 0.00 H new ATOM 0 HG2 GLU A 86 1.832 7.754 -5.560 1.00 0.00 H new ATOM 0 HG3 GLU A 86 2.949 7.319 -6.838 1.00 0.00 H new ATOM 1270 N ASN A 87 4.875 5.662 -1.692 1.00 0.00 N ATOM 1271 CA ASN A 87 6.152 5.395 -1.051 1.00 0.00 C ATOM 1272 C ASN A 87 6.064 4.454 0.127 1.00 0.00 C ATOM 1273 O ASN A 87 5.425 4.748 1.122 1.00 0.00 O ATOM 1274 CB ASN A 87 6.835 6.673 -0.606 1.00 0.00 C ATOM 1275 CG ASN A 87 8.197 6.421 0.014 1.00 0.00 C ATOM 1276 OD1 ASN A 87 8.315 5.703 1.007 1.00 0.00 O ATOM 1277 ND2 ASN A 87 9.233 7.009 -0.572 1.00 0.00 N ATOM 0 H ASN A 87 4.069 5.714 -1.069 1.00 0.00 H new ATOM 0 HA ASN A 87 6.745 4.903 -1.822 1.00 0.00 H new ATOM 0 HB2 ASN A 87 6.947 7.338 -1.462 1.00 0.00 H new ATOM 0 HB3 ASN A 87 6.201 7.187 0.116 1.00 0.00 H new ATOM 0 HD21 ASN A 87 10.173 6.874 -0.201 1.00 0.00 H new ATOM 0 HD22 ASN A 87 9.089 7.596 -1.394 1.00 0.00 H new ATOM 1284 N PHE A 88 6.795 3.369 0.020 1.00 0.00 N ATOM 1285 CA PHE A 88 7.016 2.458 1.116 1.00 0.00 C ATOM 1286 C PHE A 88 8.441 1.961 1.013 1.00 0.00 C ATOM 1287 O PHE A 88 8.807 1.322 0.038 1.00 0.00 O ATOM 1288 CB PHE A 88 6.035 1.284 1.096 1.00 0.00 C ATOM 1289 CG PHE A 88 4.941 1.328 2.130 1.00 0.00 C ATOM 1290 CD1 PHE A 88 4.714 2.460 2.893 1.00 0.00 C ATOM 1291 CD2 PHE A 88 4.169 0.204 2.371 1.00 0.00 C ATOM 1292 CE1 PHE A 88 3.722 2.483 3.855 1.00 0.00 C ATOM 1293 CE2 PHE A 88 3.179 0.217 3.335 1.00 0.00 C ATOM 1294 CZ PHE A 88 2.952 1.359 4.076 1.00 0.00 C ATOM 0 H PHE A 88 7.259 3.091 -0.845 1.00 0.00 H new ATOM 0 HA PHE A 88 6.850 2.979 2.059 1.00 0.00 H new ATOM 0 HB2 PHE A 88 5.575 1.236 0.109 1.00 0.00 H new ATOM 0 HB3 PHE A 88 6.599 0.361 1.230 1.00 0.00 H new ATOM 0 HD1 PHE A 88 5.321 3.339 2.734 1.00 0.00 H new ATOM 0 HD2 PHE A 88 4.343 -0.695 1.798 1.00 0.00 H new ATOM 0 HE1 PHE A 88 3.550 3.379 4.433 1.00 0.00 H new ATOM 0 HE2 PHE A 88 2.583 -0.667 3.509 1.00 0.00 H new ATOM 0 HZ PHE A 88 2.175 1.373 4.826 1.00 0.00 H new ATOM 1304 N TRP A 89 9.262 2.352 1.959 1.00 0.00 N ATOM 1305 CA TRP A 89 10.674 1.965 1.948 1.00 0.00 C ATOM 1306 C TRP A 89 10.927 0.869 2.970 1.00 0.00 C ATOM 1307 O TRP A 89 10.393 0.911 4.075 1.00 0.00 O ATOM 1308 CB TRP A 89 11.570 3.173 2.226 1.00 0.00 C ATOM 1309 CG TRP A 89 13.006 2.943 1.870 1.00 0.00 C ATOM 1310 CD1 TRP A 89 13.484 2.326 0.749 1.00 0.00 C ATOM 1311 CD2 TRP A 89 14.152 3.328 2.636 1.00 0.00 C ATOM 1312 NE1 TRP A 89 14.857 2.304 0.772 1.00 0.00 N ATOM 1313 CE2 TRP A 89 15.291 2.914 1.920 1.00 0.00 C ATOM 1314 CE3 TRP A 89 14.326 3.984 3.858 1.00 0.00 C ATOM 1315 CZ2 TRP A 89 16.585 3.133 2.387 1.00 0.00 C ATOM 1316 CZ3 TRP A 89 15.611 4.201 4.320 1.00 0.00 C ATOM 1317 CH2 TRP A 89 16.726 3.777 3.586 1.00 0.00 C ATOM 0 H TRP A 89 8.988 2.937 2.749 1.00 0.00 H new ATOM 0 HA TRP A 89 10.918 1.582 0.957 1.00 0.00 H new ATOM 0 HB2 TRP A 89 11.197 4.030 1.665 1.00 0.00 H new ATOM 0 HB3 TRP A 89 11.502 3.431 3.283 1.00 0.00 H new ATOM 0 HD1 TRP A 89 12.872 1.915 -0.040 1.00 0.00 H new ATOM 0 HE1 TRP A 89 15.456 1.900 0.052 1.00 0.00 H new ATOM 0 HE3 TRP A 89 13.472 4.315 4.431 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 17.446 2.806 1.823 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 15.758 4.706 5.263 1.00 0.00 H new ATOM 0 HH2 TRP A 89 17.717 3.962 3.974 1.00 0.00 H new ATOM 1328 N VAL A 90 11.784 -0.084 2.627 1.00 0.00 N ATOM 1329 CA VAL A 90 11.999 -1.224 3.502 1.00 0.00 C ATOM 1330 C VAL A 90 13.025 -0.916 4.582 1.00 0.00 C ATOM 1331 O VAL A 90 14.220 -0.772 4.322 1.00 0.00 O ATOM 1332 CB VAL A 90 12.435 -2.481 2.712 1.00 0.00 C ATOM 1333 CG1 VAL A 90 13.870 -2.360 2.217 1.00 0.00 C ATOM 1334 CG2 VAL A 90 12.263 -3.730 3.564 1.00 0.00 C ATOM 0 H VAL A 90 12.331 -0.090 1.766 1.00 0.00 H new ATOM 0 HA VAL A 90 11.041 -1.431 3.979 1.00 0.00 H new ATOM 0 HB VAL A 90 11.792 -2.564 1.836 1.00 0.00 H new ATOM 0 HG11 VAL A 90 14.142 -3.261 1.667 1.00 0.00 H new ATOM 0 HG12 VAL A 90 13.957 -1.494 1.561 1.00 0.00 H new ATOM 0 HG13 VAL A 90 14.540 -2.239 3.069 1.00 0.00 H new ATOM 0 HG21 VAL A 90 12.574 -4.605 2.994 1.00 0.00 H new ATOM 0 HG22 VAL A 90 12.876 -3.645 4.462 1.00 0.00 H new ATOM 0 HG23 VAL A 90 11.216 -3.835 3.848 1.00 0.00 H new ATOM 1344 N ASP A 91 12.520 -0.805 5.800 1.00 0.00 N ATOM 1345 CA ASP A 91 13.344 -0.551 6.967 1.00 0.00 C ATOM 1346 C ASP A 91 13.874 -1.862 7.554 1.00 0.00 C ATOM 1347 O ASP A 91 14.658 -1.854 8.502 1.00 0.00 O ATOM 1348 CB ASP A 91 12.511 0.187 8.012 1.00 0.00 C ATOM 1349 CG ASP A 91 13.360 0.864 9.070 1.00 0.00 C ATOM 1350 OD1 ASP A 91 14.521 0.445 9.259 1.00 0.00 O ATOM 1351 OD2 ASP A 91 12.867 1.821 9.703 1.00 0.00 O ATOM 0 H ASP A 91 11.525 -0.889 6.006 1.00 0.00 H new ATOM 0 HA ASP A 91 14.198 0.059 6.673 1.00 0.00 H new ATOM 0 HB2 ASP A 91 11.893 0.935 7.515 1.00 0.00 H new ATOM 0 HB3 ASP A 91 11.833 -0.518 8.493 1.00 0.00 H new ATOM 1356 N ARG A 92 13.436 -2.987 6.978 1.00 0.00 N ATOM 1357 CA ARG A 92 13.835 -4.318 7.433 1.00 0.00 C ATOM 1358 C ARG A 92 15.294 -4.368 7.867 1.00 0.00 C ATOM 1359 O ARG A 92 16.097 -3.508 7.506 1.00 0.00 O ATOM 1360 CB ARG A 92 13.589 -5.341 6.326 1.00 0.00 C ATOM 1361 CG ARG A 92 12.129 -5.732 6.197 1.00 0.00 C ATOM 1362 CD ARG A 92 11.937 -7.234 6.334 1.00 0.00 C ATOM 1363 NE ARG A 92 12.188 -7.938 5.080 1.00 0.00 N ATOM 1364 CZ ARG A 92 12.169 -9.261 4.965 1.00 0.00 C ATOM 1365 NH1 ARG A 92 11.911 -10.017 6.024 1.00 0.00 N ATOM 1366 NH2 ARG A 92 12.407 -9.831 3.791 1.00 0.00 N ATOM 0 H ARG A 92 12.796 -2.998 6.184 1.00 0.00 H new ATOM 0 HA ARG A 92 13.227 -4.559 8.305 1.00 0.00 H new ATOM 0 HB2 ARG A 92 13.936 -4.932 5.377 1.00 0.00 H new ATOM 0 HB3 ARG A 92 14.183 -6.233 6.524 1.00 0.00 H new ATOM 0 HG2 ARG A 92 11.546 -5.219 6.961 1.00 0.00 H new ATOM 0 HG3 ARG A 92 11.748 -5.403 5.230 1.00 0.00 H new ATOM 0 HD2 ARG A 92 12.608 -7.616 7.104 1.00 0.00 H new ATOM 0 HD3 ARG A 92 10.920 -7.440 6.667 1.00 0.00 H new ATOM 0 HE ARG A 92 12.389 -7.384 4.247 1.00 0.00 H new ATOM 0 HH11 ARG A 92 11.727 -9.582 6.928 1.00 0.00 H new ATOM 0 HH12 ARG A 92 11.897 -11.033 5.934 1.00 0.00 H new ATOM 0 HH21 ARG A 92 12.605 -9.253 2.974 1.00 0.00 H new ATOM 0 HH22 ARG A 92 12.392 -10.847 3.705 1.00 0.00 H new ATOM 1380 N VAL A 93 15.628 -5.394 8.640 1.00 0.00 N ATOM 1381 CA VAL A 93 16.973 -5.537 9.179 1.00 0.00 C ATOM 1382 C VAL A 93 17.476 -6.970 9.037 1.00 0.00 C ATOM 1383 O VAL A 93 16.698 -7.887 8.775 1.00 0.00 O ATOM 1384 CB VAL A 93 17.023 -5.131 10.668 1.00 0.00 C ATOM 1385 CG1 VAL A 93 18.419 -4.660 11.046 1.00 0.00 C ATOM 1386 CG2 VAL A 93 15.988 -4.052 10.973 1.00 0.00 C ATOM 0 H VAL A 93 14.985 -6.139 8.907 1.00 0.00 H new ATOM 0 HA VAL A 93 17.618 -4.873 8.604 1.00 0.00 H new ATOM 0 HB VAL A 93 16.782 -6.008 11.268 1.00 0.00 H new ATOM 0 HG11 VAL A 93 18.435 -4.378 12.099 1.00 0.00 H new ATOM 0 HG12 VAL A 93 19.133 -5.465 10.875 1.00 0.00 H new ATOM 0 HG13 VAL A 93 18.690 -3.799 10.435 1.00 0.00 H new ATOM 0 HG21 VAL A 93 16.043 -3.783 12.028 1.00 0.00 H new ATOM 0 HG22 VAL A 93 16.190 -3.172 10.363 1.00 0.00 H new ATOM 0 HG23 VAL A 93 14.991 -4.430 10.746 1.00 0.00 H new ATOM 1396 N SER A 94 18.780 -7.155 9.214 1.00 0.00 N ATOM 1397 CA SER A 94 19.385 -8.477 9.108 1.00 0.00 C ATOM 1398 C SER A 94 19.140 -9.080 7.725 1.00 0.00 C ATOM 1399 O SER A 94 18.046 -9.566 7.440 1.00 0.00 O ATOM 1400 CB SER A 94 18.819 -9.403 10.186 1.00 0.00 C ATOM 1401 OG SER A 94 19.025 -8.865 11.481 1.00 0.00 O ATOM 0 H SER A 94 19.438 -6.406 9.431 1.00 0.00 H new ATOM 0 HA SER A 94 20.460 -8.371 9.253 1.00 0.00 H new ATOM 0 HB2 SER A 94 17.753 -9.554 10.017 1.00 0.00 H new ATOM 0 HB3 SER A 94 19.294 -10.381 10.116 1.00 0.00 H new ATOM 0 HG SER A 94 18.653 -9.475 12.152 1.00 0.00 H new ATOM 1407 N PRO A 95 20.156 -9.057 6.844 1.00 0.00 N ATOM 1408 CA PRO A 95 20.035 -9.605 5.488 1.00 0.00 C ATOM 1409 C PRO A 95 19.831 -11.116 5.493 1.00 0.00 C ATOM 1410 O PRO A 95 19.230 -11.674 4.574 1.00 0.00 O ATOM 1411 CB PRO A 95 21.372 -9.248 4.830 1.00 0.00 C ATOM 1412 CG PRO A 95 22.317 -9.060 5.965 1.00 0.00 C ATOM 1413 CD PRO A 95 21.498 -8.498 7.094 1.00 0.00 C ATOM 0 HA PRO A 95 19.170 -9.200 4.963 1.00 0.00 H new ATOM 0 HB2 PRO A 95 21.709 -10.041 4.162 1.00 0.00 H new ATOM 0 HB3 PRO A 95 21.288 -8.341 4.231 1.00 0.00 H new ATOM 0 HG2 PRO A 95 22.778 -10.006 6.250 1.00 0.00 H new ATOM 0 HG3 PRO A 95 23.125 -8.381 5.692 1.00 0.00 H new ATOM 0 HD2 PRO A 95 21.887 -8.803 8.065 1.00 0.00 H new ATOM 0 HD3 PRO A 95 21.489 -7.408 7.082 1.00 0.00 H new ATOM 1421 N ASP A 96 20.334 -11.774 6.532 1.00 0.00 N ATOM 1422 CA ASP A 96 20.207 -13.220 6.655 1.00 0.00 C ATOM 1423 C ASP A 96 20.822 -13.713 7.962 1.00 0.00 C ATOM 1424 O ASP A 96 21.926 -14.258 7.972 1.00 0.00 O ATOM 1425 CB ASP A 96 20.882 -13.914 5.469 1.00 0.00 C ATOM 1426 CG ASP A 96 20.373 -15.326 5.259 1.00 0.00 C ATOM 1427 OD1 ASP A 96 19.204 -15.594 5.607 1.00 0.00 O ATOM 1428 OD2 ASP A 96 21.145 -16.166 4.749 1.00 0.00 O ATOM 0 H ASP A 96 20.834 -11.328 7.301 1.00 0.00 H new ATOM 0 HA ASP A 96 19.145 -13.467 6.658 1.00 0.00 H new ATOM 0 HB2 ASP A 96 20.710 -13.331 4.564 1.00 0.00 H new ATOM 0 HB3 ASP A 96 21.959 -13.940 5.632 1.00 0.00 H new ATOM 1433 N ASP A 97 20.101 -13.519 9.061 1.00 0.00 N ATOM 1434 CA ASP A 97 20.575 -13.945 10.373 1.00 0.00 C ATOM 1435 C ASP A 97 19.498 -13.738 11.433 1.00 0.00 C ATOM 1436 O ASP A 97 19.799 -13.403 12.579 1.00 0.00 O ATOM 1437 CB ASP A 97 21.840 -13.175 10.757 1.00 0.00 C ATOM 1438 CG ASP A 97 22.879 -14.062 11.415 1.00 0.00 C ATOM 1439 OD1 ASP A 97 23.487 -14.891 10.705 1.00 0.00 O ATOM 1440 OD2 ASP A 97 23.085 -13.928 12.639 1.00 0.00 O ATOM 0 H ASP A 97 19.186 -13.069 9.069 1.00 0.00 H new ATOM 0 HA ASP A 97 20.808 -15.008 10.320 1.00 0.00 H new ATOM 0 HB2 ASP A 97 22.269 -12.718 9.865 1.00 0.00 H new ATOM 0 HB3 ASP A 97 21.576 -12.364 11.436 1.00 0.00 H new ATOM 1445 N GLY A 98 18.244 -13.941 11.043 1.00 0.00 N ATOM 1446 CA GLY A 98 17.142 -13.770 11.970 1.00 0.00 C ATOM 1447 C GLY A 98 15.951 -14.641 11.624 1.00 0.00 C ATOM 1448 O GLY A 98 16.063 -15.570 10.824 1.00 0.00 O ATOM 0 H GLY A 98 17.972 -14.221 10.101 1.00 0.00 H new ATOM 0 HA2 GLY A 98 17.480 -14.007 12.979 1.00 0.00 H new ATOM 0 HA3 GLY A 98 16.834 -12.724 11.974 1.00 0.00 H new ATOM 1452 N GLY A 99 14.805 -14.342 12.228 1.00 0.00 N ATOM 1453 CA GLY A 99 13.604 -15.114 11.967 1.00 0.00 C ATOM 1454 C GLY A 99 12.963 -14.759 10.640 1.00 0.00 C ATOM 1455 O GLY A 99 13.436 -15.175 9.583 1.00 0.00 O ATOM 0 H GLY A 99 14.687 -13.578 12.894 1.00 0.00 H new ATOM 0 HA2 GLY A 99 13.849 -16.176 11.976 1.00 0.00 H new ATOM 0 HA3 GLY A 99 12.886 -14.946 12.770 1.00 0.00 H new ATOM 1459 N SER A 100 11.882 -13.988 10.695 1.00 0.00 N ATOM 1460 CA SER A 100 11.174 -13.577 9.488 1.00 0.00 C ATOM 1461 C SER A 100 9.891 -12.829 9.836 1.00 0.00 C ATOM 1462 O SER A 100 9.528 -12.710 11.007 1.00 0.00 O ATOM 1463 CB SER A 100 10.845 -14.796 8.624 1.00 0.00 C ATOM 1464 OG SER A 100 11.842 -15.005 7.638 1.00 0.00 O ATOM 0 H SER A 100 11.477 -13.635 11.562 1.00 0.00 H new ATOM 0 HA SER A 100 11.825 -12.906 8.928 1.00 0.00 H new ATOM 0 HB2 SER A 100 10.761 -15.681 9.255 1.00 0.00 H new ATOM 0 HB3 SER A 100 9.877 -14.655 8.143 1.00 0.00 H new ATOM 0 HG SER A 100 12.689 -15.236 8.073 1.00 0.00 H new ATOM 1470 N CYS A 101 9.208 -12.327 8.812 1.00 0.00 N ATOM 1471 CA CYS A 101 7.963 -11.594 9.010 1.00 0.00 C ATOM 1472 C CYS A 101 8.164 -10.422 9.964 1.00 0.00 C ATOM 1473 O CYS A 101 7.351 -10.192 10.860 1.00 0.00 O ATOM 1474 CB CYS A 101 6.880 -12.526 9.555 1.00 0.00 C ATOM 1475 SG CYS A 101 6.196 -13.663 8.326 1.00 0.00 S ATOM 0 H CYS A 101 9.496 -12.414 7.837 1.00 0.00 H new ATOM 0 HA CYS A 101 7.646 -11.202 8.044 1.00 0.00 H new ATOM 0 HB2 CYS A 101 7.296 -13.106 10.379 1.00 0.00 H new ATOM 0 HB3 CYS A 101 6.071 -11.923 9.967 1.00 0.00 H new ATOM 0 HG CYS A 101 5.290 -14.411 8.883 1.00 0.00 H new ATOM 1481 N HIS A 102 9.259 -9.692 9.777 1.00 0.00 N ATOM 1482 CA HIS A 102 9.549 -8.525 10.597 1.00 0.00 C ATOM 1483 C HIS A 102 9.567 -7.282 9.729 1.00 0.00 C ATOM 1484 O HIS A 102 10.338 -6.348 9.956 1.00 0.00 O ATOM 1485 CB HIS A 102 10.885 -8.686 11.323 1.00 0.00 C ATOM 1486 CG HIS A 102 10.737 -9.078 12.760 1.00 0.00 C ATOM 1487 ND1 HIS A 102 11.680 -9.822 13.441 1.00 0.00 N ATOM 1488 CD2 HIS A 102 9.747 -8.828 13.650 1.00 0.00 C ATOM 1489 CE1 HIS A 102 11.277 -10.010 14.684 1.00 0.00 C ATOM 1490 NE2 HIS A 102 10.108 -9.417 14.836 1.00 0.00 N ATOM 0 H HIS A 102 9.960 -9.890 9.063 1.00 0.00 H new ATOM 0 HA HIS A 102 8.767 -8.426 11.350 1.00 0.00 H new ATOM 0 HB2 HIS A 102 11.481 -9.439 10.808 1.00 0.00 H new ATOM 0 HB3 HIS A 102 11.437 -7.748 11.265 1.00 0.00 H new ATOM 0 HD2 HIS A 102 8.842 -8.269 13.462 1.00 0.00 H new ATOM 0 HE1 HIS A 102 11.813 -10.556 15.446 1.00 0.00 H new ATOM 0 HE2 HIS A 102 9.561 -9.399 15.697 1.00 0.00 H new ATOM 1499 N LEU A 103 8.711 -7.297 8.722 1.00 0.00 N ATOM 1500 CA LEU A 103 8.593 -6.202 7.779 1.00 0.00 C ATOM 1501 C LEU A 103 8.532 -4.853 8.485 1.00 0.00 C ATOM 1502 O LEU A 103 7.451 -4.342 8.750 1.00 0.00 O ATOM 1503 CB LEU A 103 7.326 -6.402 6.945 1.00 0.00 C ATOM 1504 CG LEU A 103 7.541 -6.679 5.454 1.00 0.00 C ATOM 1505 CD1 LEU A 103 7.709 -5.375 4.686 1.00 0.00 C ATOM 1506 CD2 LEU A 103 8.741 -7.591 5.234 1.00 0.00 C ATOM 0 H LEU A 103 8.076 -8.073 8.536 1.00 0.00 H new ATOM 0 HA LEU A 103 9.476 -6.201 7.141 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.762 -7.232 7.371 1.00 0.00 H new ATOM 0 HB3 LEU A 103 6.706 -5.511 7.043 1.00 0.00 H new ATOM 0 HG LEU A 103 6.656 -7.191 5.075 1.00 0.00 H new ATOM 0 HD11 LEU A 103 7.861 -5.592 3.629 1.00 0.00 H new ATOM 0 HD12 LEU A 103 6.814 -4.764 4.806 1.00 0.00 H new ATOM 0 HD13 LEU A 103 8.573 -4.834 5.073 1.00 0.00 H new ATOM 0 HD21 LEU A 103 8.870 -7.771 4.167 1.00 0.00 H new ATOM 0 HD22 LEU A 103 9.637 -7.116 5.633 1.00 0.00 H new ATOM 0 HD23 LEU A 103 8.575 -8.540 5.744 1.00 0.00 H new ATOM 1518 N TRP A 104 9.691 -4.237 8.696 1.00 0.00 N ATOM 1519 CA TRP A 104 9.755 -2.916 9.309 1.00 0.00 C ATOM 1520 C TRP A 104 9.869 -1.875 8.204 1.00 0.00 C ATOM 1521 O TRP A 104 10.727 -1.981 7.326 1.00 0.00 O ATOM 1522 CB TRP A 104 10.939 -2.834 10.274 1.00 0.00 C ATOM 1523 CG TRP A 104 11.199 -1.458 10.815 1.00 0.00 C ATOM 1524 CD1 TRP A 104 10.351 -0.385 10.791 1.00 0.00 C ATOM 1525 CD2 TRP A 104 12.387 -1.014 11.481 1.00 0.00 C ATOM 1526 NE1 TRP A 104 10.945 0.697 11.395 1.00 0.00 N ATOM 1527 CE2 TRP A 104 12.194 0.336 11.826 1.00 0.00 C ATOM 1528 CE3 TRP A 104 13.598 -1.629 11.816 1.00 0.00 C ATOM 1529 CZ2 TRP A 104 13.167 1.083 12.488 1.00 0.00 C ATOM 1530 CZ3 TRP A 104 14.562 -0.886 12.473 1.00 0.00 C ATOM 1531 CH2 TRP A 104 14.341 0.456 12.803 1.00 0.00 C ATOM 0 H TRP A 104 10.599 -4.632 8.451 1.00 0.00 H new ATOM 0 HA TRP A 104 8.851 -2.726 9.888 1.00 0.00 H new ATOM 0 HB2 TRP A 104 10.761 -3.512 11.108 1.00 0.00 H new ATOM 0 HB3 TRP A 104 11.835 -3.186 9.763 1.00 0.00 H new ATOM 0 HD1 TRP A 104 9.360 -0.388 10.361 1.00 0.00 H new ATOM 0 HE1 TRP A 104 10.524 1.620 11.505 1.00 0.00 H new ATOM 0 HE3 TRP A 104 13.777 -2.664 11.566 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 13.000 2.119 12.743 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 15.501 -1.349 12.736 1.00 0.00 H new ATOM 0 HH2 TRP A 104 15.114 1.008 13.317 1.00 0.00 H new ATOM 1542 N LEU A 105 8.938 -0.929 8.193 1.00 0.00 N ATOM 1543 CA LEU A 105 8.822 0.008 7.091 1.00 0.00 C ATOM 1544 C LEU A 105 9.333 1.413 7.380 1.00 0.00 C ATOM 1545 O LEU A 105 9.502 1.829 8.526 1.00 0.00 O ATOM 1546 CB LEU A 105 7.364 0.106 6.659 1.00 0.00 C ATOM 1547 CG LEU A 105 7.008 -0.569 5.339 1.00 0.00 C ATOM 1548 CD1 LEU A 105 5.704 -0.013 4.847 1.00 0.00 C ATOM 1549 CD2 LEU A 105 8.068 -0.365 4.270 1.00 0.00 C ATOM 0 H LEU A 105 8.254 -0.793 8.937 1.00 0.00 H new ATOM 0 HA LEU A 105 9.461 -0.395 6.305 1.00 0.00 H new ATOM 0 HB2 LEU A 105 6.744 -0.327 7.444 1.00 0.00 H new ATOM 0 HB3 LEU A 105 7.098 1.161 6.588 1.00 0.00 H new ATOM 0 HG LEU A 105 6.938 -1.640 5.526 1.00 0.00 H new ATOM 0 HD11 LEU A 105 5.439 -0.489 3.903 1.00 0.00 H new ATOM 0 HD12 LEU A 105 4.924 -0.208 5.583 1.00 0.00 H new ATOM 0 HD13 LEU A 105 5.800 1.062 4.697 1.00 0.00 H new ATOM 0 HD21 LEU A 105 7.761 -0.867 3.353 1.00 0.00 H new ATOM 0 HD22 LEU A 105 8.190 0.701 4.077 1.00 0.00 H new ATOM 0 HD23 LEU A 105 9.015 -0.782 4.612 1.00 0.00 H new ATOM 1561 N GLY A 106 9.540 2.130 6.281 1.00 0.00 N ATOM 1562 CA GLY A 106 9.924 3.527 6.309 1.00 0.00 C ATOM 1563 C GLY A 106 9.303 4.258 5.129 1.00 0.00 C ATOM 1564 O GLY A 106 9.507 3.865 3.981 1.00 0.00 O ATOM 0 H GLY A 106 9.444 1.750 5.339 1.00 0.00 H new ATOM 0 HA2 GLY A 106 9.598 3.984 7.243 1.00 0.00 H new ATOM 0 HA3 GLY A 106 11.010 3.616 6.272 1.00 0.00 H new ATOM 1568 N ARG A 107 8.500 5.282 5.401 1.00 0.00 N ATOM 1569 CA ARG A 107 7.785 5.987 4.337 1.00 0.00 C ATOM 1570 C ARG A 107 8.494 7.266 3.917 1.00 0.00 C ATOM 1571 O ARG A 107 9.295 7.832 4.661 1.00 0.00 O ATOM 1572 CB ARG A 107 6.363 6.334 4.777 1.00 0.00 C ATOM 1573 CG ARG A 107 5.358 5.240 4.484 1.00 0.00 C ATOM 1574 CD ARG A 107 4.402 5.650 3.370 1.00 0.00 C ATOM 1575 NE ARG A 107 3.296 6.461 3.871 1.00 0.00 N ATOM 1576 CZ ARG A 107 2.106 6.543 3.279 1.00 0.00 C ATOM 1577 NH1 ARG A 107 1.864 5.869 2.161 1.00 0.00 N ATOM 1578 NH2 ARG A 107 1.156 7.304 3.806 1.00 0.00 N ATOM 0 H ARG A 107 8.327 5.641 6.340 1.00 0.00 H new ATOM 0 HA ARG A 107 7.757 5.310 3.483 1.00 0.00 H new ATOM 0 HB2 ARG A 107 6.362 6.540 5.847 1.00 0.00 H new ATOM 0 HB3 ARG A 107 6.049 7.249 4.276 1.00 0.00 H new ATOM 0 HG2 ARG A 107 5.883 4.328 4.199 1.00 0.00 H new ATOM 0 HG3 ARG A 107 4.791 5.012 5.387 1.00 0.00 H new ATOM 0 HD2 ARG A 107 4.948 6.210 2.611 1.00 0.00 H new ATOM 0 HD3 ARG A 107 4.007 4.758 2.884 1.00 0.00 H new ATOM 0 HE ARG A 107 3.444 6.997 4.726 1.00 0.00 H new ATOM 0 HH11 ARG A 107 2.592 5.284 1.751 1.00 0.00 H new ATOM 0 HH12 ARG A 107 0.950 5.936 1.713 1.00 0.00 H new ATOM 0 HH21 ARG A 107 1.337 7.825 4.664 1.00 0.00 H new ATOM 0 HH22 ARG A 107 0.244 7.368 3.354 1.00 0.00 H new ATOM 1592 N GLY A 108 8.192 7.696 2.701 1.00 0.00 N ATOM 1593 CA GLY A 108 8.742 8.923 2.164 1.00 0.00 C ATOM 1594 C GLY A 108 7.747 9.606 1.250 1.00 0.00 C ATOM 1595 O GLY A 108 8.113 10.125 0.194 1.00 0.00 O ATOM 0 H GLY A 108 7.563 7.205 2.066 1.00 0.00 H new ATOM 0 HA2 GLY A 108 9.012 9.593 2.980 1.00 0.00 H new ATOM 0 HA3 GLY A 108 9.658 8.706 1.614 1.00 0.00 H new ATOM 1599 N VAL A 109 6.476 9.568 1.657 1.00 0.00 N ATOM 1600 CA VAL A 109 5.368 10.134 0.880 1.00 0.00 C ATOM 1601 C VAL A 109 5.773 11.358 0.053 1.00 0.00 C ATOM 1602 O VAL A 109 5.871 12.467 0.579 1.00 0.00 O ATOM 1603 CB VAL A 109 4.197 10.533 1.800 1.00 0.00 C ATOM 1604 CG1 VAL A 109 4.652 11.547 2.839 1.00 0.00 C ATOM 1605 CG2 VAL A 109 3.039 11.082 0.981 1.00 0.00 C ATOM 0 H VAL A 109 6.184 9.143 2.537 1.00 0.00 H new ATOM 0 HA VAL A 109 5.063 9.346 0.192 1.00 0.00 H new ATOM 0 HB VAL A 109 3.852 9.642 2.324 1.00 0.00 H new ATOM 0 HG11 VAL A 109 3.811 11.815 3.478 1.00 0.00 H new ATOM 0 HG12 VAL A 109 5.446 11.114 3.447 1.00 0.00 H new ATOM 0 HG13 VAL A 109 5.026 12.440 2.337 1.00 0.00 H new ATOM 0 HG21 VAL A 109 2.221 11.358 1.647 1.00 0.00 H new ATOM 0 HG22 VAL A 109 3.369 11.961 0.427 1.00 0.00 H new ATOM 0 HG23 VAL A 109 2.695 10.321 0.281 1.00 0.00 H new ATOM 1615 N PRO A 110 5.947 11.180 -1.270 1.00 0.00 N ATOM 1616 CA PRO A 110 6.282 12.265 -2.180 1.00 0.00 C ATOM 1617 C PRO A 110 5.030 12.911 -2.768 1.00 0.00 C ATOM 1618 O PRO A 110 3.924 12.398 -2.599 1.00 0.00 O ATOM 1619 CB PRO A 110 7.072 11.540 -3.265 1.00 0.00 C ATOM 1620 CG PRO A 110 6.444 10.184 -3.344 1.00 0.00 C ATOM 1621 CD PRO A 110 5.829 9.900 -1.990 1.00 0.00 C ATOM 0 HA PRO A 110 6.825 13.079 -1.699 1.00 0.00 H new ATOM 0 HB2 PRO A 110 7.008 12.063 -4.219 1.00 0.00 H new ATOM 0 HB3 PRO A 110 8.129 11.473 -3.008 1.00 0.00 H new ATOM 0 HG2 PRO A 110 5.685 10.156 -4.126 1.00 0.00 H new ATOM 0 HG3 PRO A 110 7.188 9.429 -3.595 1.00 0.00 H new ATOM 0 HD2 PRO A 110 4.789 9.588 -2.082 1.00 0.00 H new ATOM 0 HD3 PRO A 110 6.357 9.100 -1.471 1.00 0.00 H new ATOM 1629 N PRO A 111 5.182 14.039 -3.477 1.00 0.00 N ATOM 1630 CA PRO A 111 4.057 14.746 -4.087 1.00 0.00 C ATOM 1631 C PRO A 111 3.548 14.040 -5.337 1.00 0.00 C ATOM 1632 O PRO A 111 4.136 13.060 -5.791 1.00 0.00 O ATOM 1633 CB PRO A 111 4.634 16.118 -4.463 1.00 0.00 C ATOM 1634 CG PRO A 111 6.017 16.152 -3.900 1.00 0.00 C ATOM 1635 CD PRO A 111 6.450 14.726 -3.733 1.00 0.00 C ATOM 0 HA PRO A 111 3.207 14.802 -3.407 1.00 0.00 H new ATOM 0 HB2 PRO A 111 4.650 16.251 -5.545 1.00 0.00 H new ATOM 0 HB3 PRO A 111 4.025 16.923 -4.051 1.00 0.00 H new ATOM 0 HG2 PRO A 111 6.693 16.686 -4.567 1.00 0.00 H new ATOM 0 HG3 PRO A 111 6.033 16.676 -2.944 1.00 0.00 H new ATOM 0 HD2 PRO A 111 6.945 14.345 -4.626 1.00 0.00 H new ATOM 0 HD3 PRO A 111 7.150 14.608 -2.906 1.00 0.00 H new ATOM 1643 N ALA A 112 2.464 14.558 -5.898 1.00 0.00 N ATOM 1644 CA ALA A 112 1.897 13.998 -7.116 1.00 0.00 C ATOM 1645 C ALA A 112 1.684 12.492 -6.991 1.00 0.00 C ATOM 1646 O ALA A 112 2.608 11.704 -7.193 1.00 0.00 O ATOM 1647 CB ALA A 112 2.806 14.310 -8.295 1.00 0.00 C ATOM 0 H ALA A 112 1.960 15.365 -5.529 1.00 0.00 H new ATOM 0 HA ALA A 112 0.921 14.455 -7.281 1.00 0.00 H new ATOM 0 HB1 ALA A 112 2.379 13.889 -9.205 1.00 0.00 H new ATOM 0 HB2 ALA A 112 2.902 15.390 -8.405 1.00 0.00 H new ATOM 0 HB3 ALA A 112 3.790 13.874 -8.121 1.00 0.00 H new ATOM 1653 N VAL A 113 0.456 12.100 -6.667 1.00 0.00 N ATOM 1654 CA VAL A 113 0.109 10.689 -6.530 1.00 0.00 C ATOM 1655 C VAL A 113 -1.211 10.391 -7.239 1.00 0.00 C ATOM 1656 O VAL A 113 -2.198 11.104 -7.060 1.00 0.00 O ATOM 1657 CB VAL A 113 0.010 10.273 -5.043 1.00 0.00 C ATOM 1658 CG1 VAL A 113 -0.872 11.246 -4.277 1.00 0.00 C ATOM 1659 CG2 VAL A 113 -0.505 8.843 -4.901 1.00 0.00 C ATOM 0 H VAL A 113 -0.318 12.741 -6.494 1.00 0.00 H new ATOM 0 HA VAL A 113 0.906 10.109 -6.995 1.00 0.00 H new ATOM 0 HB VAL A 113 1.012 10.306 -4.615 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -0.931 10.939 -3.233 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -0.446 12.248 -4.337 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -1.872 11.250 -4.711 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -0.563 8.580 -3.845 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -1.496 8.767 -5.349 1.00 0.00 H new ATOM 0 HG23 VAL A 113 0.176 8.159 -5.408 1.00 0.00 H new ATOM 1669 N ASN A 114 -1.215 9.339 -8.051 1.00 0.00 N ATOM 1670 CA ASN A 114 -2.409 8.952 -8.793 1.00 0.00 C ATOM 1671 C ASN A 114 -3.479 8.400 -7.858 1.00 0.00 C ATOM 1672 O ASN A 114 -3.309 7.335 -7.264 1.00 0.00 O ATOM 1673 CB ASN A 114 -2.058 7.909 -9.855 1.00 0.00 C ATOM 1674 CG ASN A 114 -2.726 8.190 -11.187 1.00 0.00 C ATOM 1675 OD1 ASN A 114 -3.893 7.856 -11.393 1.00 0.00 O ATOM 1676 ND2 ASN A 114 -1.985 8.806 -12.101 1.00 0.00 N ATOM 0 H ASN A 114 -0.405 8.740 -8.212 1.00 0.00 H new ATOM 0 HA ASN A 114 -2.805 9.842 -9.282 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -0.977 7.884 -9.992 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -2.357 6.922 -9.503 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -2.379 9.020 -13.017 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -1.022 9.065 -11.887 1.00 0.00 H new ATOM 1683 N ARG A 115 -4.582 9.130 -7.732 1.00 0.00 N ATOM 1684 CA ARG A 115 -5.682 8.708 -6.874 1.00 0.00 C ATOM 1685 C ARG A 115 -6.967 8.551 -7.680 1.00 0.00 C ATOM 1686 O ARG A 115 -7.162 9.220 -8.694 1.00 0.00 O ATOM 1687 CB ARG A 115 -5.895 9.720 -5.747 1.00 0.00 C ATOM 1688 CG ARG A 115 -4.602 10.214 -5.121 1.00 0.00 C ATOM 1689 CD ARG A 115 -4.534 11.733 -5.109 1.00 0.00 C ATOM 1690 NE ARG A 115 -4.667 12.297 -6.448 1.00 0.00 N ATOM 1691 CZ ARG A 115 -4.773 13.600 -6.690 1.00 0.00 C ATOM 1692 NH1 ARG A 115 -4.760 14.464 -5.685 1.00 0.00 N ATOM 1693 NH2 ARG A 115 -4.891 14.038 -7.936 1.00 0.00 N ATOM 0 H ARG A 115 -4.738 10.016 -8.213 1.00 0.00 H new ATOM 0 HA ARG A 115 -5.423 7.742 -6.441 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -6.450 10.574 -6.137 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -6.513 9.265 -4.973 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -4.523 9.837 -4.101 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -3.752 9.815 -5.675 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -5.325 12.126 -4.470 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -3.586 12.050 -4.675 1.00 0.00 H new ATOM 0 HE ARG A 115 -4.679 11.657 -7.242 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -4.669 14.129 -4.726 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -4.841 15.464 -5.871 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -4.901 13.375 -8.711 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -4.972 15.038 -8.119 1.00 0.00 H new ATOM 1707 N ARG A 116 -7.839 7.658 -7.223 1.00 0.00 N ATOM 1708 CA ARG A 116 -9.105 7.409 -7.902 1.00 0.00 C ATOM 1709 C ARG A 116 -10.283 7.826 -7.028 1.00 0.00 C ATOM 1710 O ARG A 116 -10.226 7.724 -5.802 1.00 0.00 O ATOM 1711 CB ARG A 116 -9.223 5.930 -8.275 1.00 0.00 C ATOM 1712 CG ARG A 116 -9.470 5.018 -7.085 1.00 0.00 C ATOM 1713 CD ARG A 116 -10.953 4.896 -6.777 1.00 0.00 C ATOM 1714 NE ARG A 116 -11.218 4.929 -5.341 1.00 0.00 N ATOM 1715 CZ ARG A 116 -11.079 3.875 -4.543 1.00 0.00 C ATOM 1716 NH1 ARG A 116 -10.679 2.713 -5.041 1.00 0.00 N ATOM 1717 NH2 ARG A 116 -11.339 3.981 -3.246 1.00 0.00 N ATOM 0 H ARG A 116 -7.692 7.095 -6.385 1.00 0.00 H new ATOM 0 HA ARG A 116 -9.126 8.008 -8.813 1.00 0.00 H new ATOM 0 HB2 ARG A 116 -10.037 5.808 -8.990 1.00 0.00 H new ATOM 0 HB3 ARG A 116 -8.308 5.617 -8.778 1.00 0.00 H new ATOM 0 HG2 ARG A 116 -9.057 4.030 -7.290 1.00 0.00 H new ATOM 0 HG3 ARG A 116 -8.947 5.407 -6.212 1.00 0.00 H new ATOM 0 HD2 ARG A 116 -11.492 5.708 -7.264 1.00 0.00 H new ATOM 0 HD3 ARG A 116 -11.335 3.964 -7.195 1.00 0.00 H new ATOM 0 HE ARG A 116 -11.527 5.809 -4.928 1.00 0.00 H new ATOM 0 HH11 ARG A 116 -10.478 2.627 -6.037 1.00 0.00 H new ATOM 0 HH12 ARG A 116 -10.573 1.905 -4.428 1.00 0.00 H new ATOM 0 HH21 ARG A 116 -11.647 4.873 -2.859 1.00 0.00 H new ATOM 0 HH22 ARG A 116 -11.231 3.170 -2.636 1.00 0.00 H new ATOM 1731 N ARG A 117 -11.347 8.303 -7.664 1.00 0.00 N ATOM 1732 CA ARG A 117 -12.538 8.738 -6.945 1.00 0.00 C ATOM 1733 C ARG A 117 -13.691 8.995 -7.910 1.00 0.00 C ATOM 1734 O ARG A 117 -14.809 9.282 -7.431 1.00 0.00 O ATOM 1735 CB ARG A 117 -12.239 10.005 -6.142 1.00 0.00 C ATOM 1736 CG ARG A 117 -12.756 9.958 -4.713 1.00 0.00 C ATOM 1737 CD ARG A 117 -11.668 10.319 -3.715 1.00 0.00 C ATOM 1738 NE ARG A 117 -11.835 9.618 -2.445 1.00 0.00 N ATOM 1739 CZ ARG A 117 -12.829 9.859 -1.598 1.00 0.00 C ATOM 1740 NH1 ARG A 117 -13.742 10.778 -1.884 1.00 0.00 N ATOM 1741 NH2 ARG A 117 -12.913 9.178 -0.463 1.00 0.00 N ATOM 1742 OXT ARG A 117 -13.468 8.906 -9.135 1.00 0.00 O ATOM 0 H ARG A 117 -11.409 8.398 -8.678 1.00 0.00 H new ATOM 0 HA ARG A 117 -12.831 7.942 -6.260 1.00 0.00 H new ATOM 0 HB2 ARG A 117 -11.161 10.168 -6.124 1.00 0.00 H new ATOM 0 HB3 ARG A 117 -12.682 10.861 -6.652 1.00 0.00 H new ATOM 0 HG2 ARG A 117 -13.593 10.647 -4.605 1.00 0.00 H new ATOM 0 HG3 ARG A 117 -13.135 8.960 -4.495 1.00 0.00 H new ATOM 0 HD2 ARG A 117 -10.693 10.076 -4.138 1.00 0.00 H new ATOM 0 HD3 ARG A 117 -11.680 11.395 -3.539 1.00 0.00 H new ATOM 0 HE ARG A 117 -11.151 8.904 -2.195 1.00 0.00 H new ATOM 0 HH11 ARG A 117 -13.682 11.302 -2.757 1.00 0.00 H new ATOM 0 HH12 ARG A 117 -14.504 10.960 -1.231 1.00 0.00 H new ATOM 0 HH21 ARG A 117 -12.214 8.469 -0.241 1.00 0.00 H new ATOM 0 HH22 ARG A 117 -13.676 9.363 0.188 1.00 0.00 H new TER 1756 ARG A 117