USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 520 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 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -0.341 X(o=-0.34,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 1.35 K(o=1.4,f=-1.6!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 30:sc= 0.15 USER MOD Single : A 28 LYS NZ :NH3+ -179:sc= 1.12 (180deg=1.12) USER MOD Single : A 32 MET CE :methyl -132:sc= -0.303 (180deg=-1.03) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 97:sc= 1.22 USER MOD Single : A 40 GLN : amide:sc=-0.00725 X(o=-0.0073,f=-0.5) USER MOD Single : A 48 CYS SG : rot 56:sc= -0.135 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= -0.042 X(o=-0.042,f=0) USER MOD Single : A 54 GLN : amide:sc= -0.0523 X(o=-0.052,f=-0.052) USER MOD Single : A 60 ASN : amide:sc= 0.726 K(o=0.73,f=-1.3!) USER MOD Single : A 63 LYS NZ :NH3+ -170:sc=-0.00767 (180deg=-0.114) USER MOD Single : A 91 LYS NZ :NH3+ -174:sc= 1.15 (180deg=1.06) USER MOD ----------------------------------------------------------------- ATOM 59 N TYR A 5 13.191 1.840 0.242 1.00 25.00 N ATOM 60 CA TYR A 5 13.833 0.576 0.564 1.00 25.00 C ATOM 61 C TYR A 5 13.383 -0.619 -0.297 1.00 25.00 C ATOM 62 O TYR A 5 12.505 -0.513 -1.143 1.00 25.00 O ATOM 63 CB TYR A 5 13.653 0.293 2.055 1.00 25.00 C ATOM 64 CG TYR A 5 14.443 1.229 2.939 1.00 25.00 C ATOM 65 CD1 TYR A 5 15.843 1.346 2.795 1.00 25.00 C ATOM 66 CD2 TYR A 5 13.806 1.990 3.940 1.00 25.00 C ATOM 67 CE1 TYR A 5 16.594 2.195 3.639 1.00 25.00 C ATOM 68 CE2 TYR A 5 14.559 2.844 4.790 1.00 25.00 C ATOM 69 CZ TYR A 5 15.946 2.933 4.633 1.00 25.00 C ATOM 70 OH TYR A 5 16.677 3.744 5.460 1.00 25.00 O ATOM 0 HA TYR A 5 14.890 0.690 0.322 1.00 25.00 H new ATOM 0 HB2 TYR A 5 12.596 0.371 2.308 1.00 25.00 H new ATOM 0 HB3 TYR A 5 13.955 -0.734 2.262 1.00 25.00 H new ATOM 0 HD1 TYR A 5 16.348 0.778 2.028 1.00 25.00 H new ATOM 0 HD2 TYR A 5 12.735 1.923 4.062 1.00 25.00 H new ATOM 0 HE1 TYR A 5 17.664 2.273 3.516 1.00 25.00 H new ATOM 0 HE2 TYR A 5 14.062 3.422 5.555 1.00 25.00 H new ATOM 0 HH TYR A 5 16.078 4.189 6.095 1.00 25.00 H new ATOM 80 N LEU A 6 14.073 -1.737 -0.120 1.00 25.00 N ATOM 81 CA LEU A 6 13.836 -2.942 -0.915 1.00 25.00 C ATOM 82 C LEU A 6 12.595 -3.703 -0.438 1.00 25.00 C ATOM 83 O LEU A 6 11.918 -4.358 -1.222 1.00 25.00 O ATOM 84 CB LEU A 6 15.056 -3.871 -0.815 1.00 25.00 C ATOM 85 CG LEU A 6 16.429 -3.342 -1.259 1.00 25.00 C ATOM 86 CD1 LEU A 6 17.509 -4.387 -0.928 1.00 25.00 C ATOM 87 CD2 LEU A 6 16.451 -3.031 -2.755 1.00 25.00 C ATOM 0 H LEU A 6 14.812 -1.838 0.576 1.00 25.00 H new ATOM 0 HA LEU A 6 13.672 -2.631 -1.947 1.00 25.00 H new ATOM 0 HB2 LEU A 6 15.145 -4.188 0.224 1.00 25.00 H new ATOM 0 HB3 LEU A 6 14.840 -4.763 -1.403 1.00 25.00 H new ATOM 0 HG LEU A 6 16.629 -2.415 -0.722 1.00 25.00 H new ATOM 0 HD11 LEU A 6 18.484 -4.014 -1.242 1.00 25.00 H new ATOM 0 HD12 LEU A 6 17.520 -4.572 0.146 1.00 25.00 H new ATOM 0 HD13 LEU A 6 17.289 -5.316 -1.454 1.00 25.00 H new ATOM 0 HD21 LEU A 6 17.437 -2.659 -3.035 1.00 25.00 H new ATOM 0 HD22 LEU A 6 16.232 -3.938 -3.318 1.00 25.00 H new ATOM 0 HD23 LEU A 6 15.700 -2.274 -2.980 1.00 25.00 H new ATOM 99 N ASN A 7 12.335 -3.622 0.863 1.00 25.00 N ATOM 100 CA ASN A 7 11.181 -4.270 1.520 1.00 25.00 C ATOM 101 C ASN A 7 11.064 -5.790 1.255 1.00 25.00 C ATOM 102 O ASN A 7 9.970 -6.297 1.015 1.00 25.00 O ATOM 103 CB ASN A 7 9.858 -3.586 1.104 1.00 25.00 C ATOM 104 CG ASN A 7 9.863 -2.089 1.318 1.00 25.00 C ATOM 105 OD1 ASN A 7 9.324 -1.351 0.523 1.00 25.00 O ATOM 106 ND2 ASN A 7 10.434 -1.639 2.409 1.00 25.00 N ATOM 0 H ASN A 7 12.924 -3.098 1.510 1.00 25.00 H new ATOM 0 HA ASN A 7 11.362 -4.148 2.588 1.00 25.00 H new ATOM 0 HB2 ASN A 7 9.665 -3.795 0.052 1.00 25.00 H new ATOM 0 HB3 ASN A 7 9.037 -4.024 1.672 1.00 25.00 H new ATOM 0 HD21 ASN A 7 10.433 -0.639 2.610 1.00 25.00 H new ATOM 0 HD22 ASN A 7 10.879 -2.289 3.057 1.00 25.00 H new ATOM 113 N VAL A 8 12.173 -6.519 1.311 1.00 25.00 N ATOM 114 CA VAL A 8 12.162 -7.967 1.045 1.00 25.00 C ATOM 115 C VAL A 8 12.262 -8.698 2.383 1.00 25.00 C ATOM 116 O VAL A 8 12.677 -8.119 3.370 1.00 25.00 O ATOM 117 CB VAL A 8 13.328 -8.392 0.060 1.00 25.00 C ATOM 118 CG1 VAL A 8 13.898 -7.186 -0.670 1.00 25.00 C ATOM 119 CG2 VAL A 8 14.471 -9.113 0.771 1.00 25.00 C ATOM 0 H VAL A 8 13.092 -6.140 1.537 1.00 25.00 H new ATOM 0 HA VAL A 8 11.232 -8.239 0.545 1.00 25.00 H new ATOM 0 HB VAL A 8 12.874 -9.082 -0.651 1.00 25.00 H new ATOM 0 HG11 VAL A 8 14.696 -7.509 -1.338 1.00 25.00 H new ATOM 0 HG12 VAL A 8 13.110 -6.706 -1.251 1.00 25.00 H new ATOM 0 HG13 VAL A 8 14.297 -6.477 0.055 1.00 25.00 H new ATOM 0 HG21 VAL A 8 15.240 -9.380 0.046 1.00 25.00 H new ATOM 0 HG22 VAL A 8 14.899 -8.457 1.529 1.00 25.00 H new ATOM 0 HG23 VAL A 8 14.091 -10.017 1.246 1.00 25.00 H new ATOM 129 N LEU A 9 11.904 -9.969 2.417 1.00 25.00 N ATOM 130 CA LEU A 9 12.032 -10.766 3.642 1.00 25.00 C ATOM 131 C LEU A 9 13.291 -11.622 3.574 1.00 25.00 C ATOM 132 O LEU A 9 13.660 -12.106 2.507 1.00 25.00 O ATOM 133 CB LEU A 9 10.808 -11.663 3.828 1.00 25.00 C ATOM 134 CG LEU A 9 9.454 -10.947 3.987 1.00 25.00 C ATOM 135 CD1 LEU A 9 8.347 -11.992 4.133 1.00 25.00 C ATOM 136 CD2 LEU A 9 9.440 -10.006 5.196 1.00 25.00 C ATOM 0 H LEU A 9 11.523 -10.477 1.619 1.00 25.00 H new ATOM 0 HA LEU A 9 12.101 -10.087 4.492 1.00 25.00 H new ATOM 0 HB2 LEU A 9 10.742 -12.333 2.971 1.00 25.00 H new ATOM 0 HB3 LEU A 9 10.971 -12.286 4.708 1.00 25.00 H new ATOM 0 HG LEU A 9 9.287 -10.339 3.098 1.00 25.00 H new ATOM 0 HD11 LEU A 9 7.386 -11.490 4.246 1.00 25.00 H new ATOM 0 HD12 LEU A 9 8.324 -12.624 3.245 1.00 25.00 H new ATOM 0 HD13 LEU A 9 8.541 -12.607 5.012 1.00 25.00 H new ATOM 0 HD21 LEU A 9 8.466 -9.522 5.269 1.00 25.00 H new ATOM 0 HD22 LEU A 9 9.631 -10.578 6.104 1.00 25.00 H new ATOM 0 HD23 LEU A 9 10.213 -9.247 5.076 1.00 25.00 H new ATOM 148 N ALA A 10 13.944 -11.828 4.708 1.00 25.00 N ATOM 149 CA ALA A 10 15.135 -12.667 4.773 1.00 25.00 C ATOM 150 C ALA A 10 15.113 -13.526 6.042 1.00 25.00 C ATOM 151 O ALA A 10 14.652 -13.068 7.082 1.00 25.00 O ATOM 152 CB ALA A 10 16.380 -11.800 4.744 1.00 25.00 C ATOM 0 H ALA A 10 13.668 -11.423 5.603 1.00 25.00 H new ATOM 0 HA ALA A 10 15.147 -13.330 3.908 1.00 25.00 H new ATOM 0 HB1 ALA A 10 17.266 -12.433 4.793 1.00 25.00 H new ATOM 0 HB2 ALA A 10 16.399 -11.221 3.821 1.00 25.00 H new ATOM 0 HB3 ALA A 10 16.371 -11.122 5.597 1.00 25.00 H new ATOM 158 N LYS A 11 15.611 -14.757 5.945 1.00 25.00 N ATOM 159 CA LYS A 11 15.665 -15.682 7.084 1.00 25.00 C ATOM 160 C LYS A 11 17.075 -15.788 7.644 1.00 25.00 C ATOM 161 O LYS A 11 18.041 -15.917 6.890 1.00 25.00 O ATOM 162 CB LYS A 11 15.213 -17.090 6.665 1.00 25.00 C ATOM 163 CG LYS A 11 15.386 -18.145 7.777 1.00 25.00 C ATOM 164 CD LYS A 11 14.611 -19.432 7.540 1.00 25.00 C ATOM 165 CE LYS A 11 13.127 -19.245 7.841 1.00 25.00 C ATOM 166 NZ LYS A 11 12.383 -20.547 7.913 1.00 25.00 N ATOM 0 H LYS A 11 15.988 -15.144 5.080 1.00 25.00 H new ATOM 0 HA LYS A 11 14.996 -15.283 7.847 1.00 25.00 H new ATOM 0 HB2 LYS A 11 14.165 -17.054 6.369 1.00 25.00 H new ATOM 0 HB3 LYS A 11 15.782 -17.400 5.788 1.00 25.00 H new ATOM 0 HG2 LYS A 11 16.445 -18.384 7.874 1.00 25.00 H new ATOM 0 HG3 LYS A 11 15.069 -17.712 8.726 1.00 25.00 H new ATOM 0 HD2 LYS A 11 14.738 -19.751 6.505 1.00 25.00 H new ATOM 0 HD3 LYS A 11 15.016 -20.225 8.170 1.00 25.00 H new ATOM 0 HE2 LYS A 11 13.016 -18.715 8.787 1.00 25.00 H new ATOM 0 HE3 LYS A 11 12.680 -18.618 7.070 1.00 25.00 H new ATOM 0 HZ1 LYS A 11 11.380 -20.363 8.120 1.00 25.00 H new ATOM 0 HZ2 LYS A 11 12.463 -21.044 7.003 1.00 25.00 H new ATOM 0 HZ3 LYS A 11 12.789 -21.138 8.667 1.00 25.00 H new ATOM 180 N ALA A 12 17.176 -15.818 8.962 1.00 25.00 N ATOM 181 CA ALA A 12 18.437 -16.068 9.646 1.00 25.00 C ATOM 182 C ALA A 12 18.825 -17.543 9.525 1.00 25.00 C ATOM 183 O ALA A 12 18.052 -18.417 9.915 1.00 25.00 O ATOM 184 CB ALA A 12 18.278 -15.688 11.101 1.00 25.00 C ATOM 0 H ALA A 12 16.386 -15.670 9.590 1.00 25.00 H new ATOM 0 HA ALA A 12 19.228 -15.472 9.190 1.00 25.00 H new ATOM 0 HB1 ALA A 12 19.214 -15.869 11.629 1.00 25.00 H new ATOM 0 HB2 ALA A 12 18.018 -14.632 11.175 1.00 25.00 H new ATOM 0 HB3 ALA A 12 17.487 -16.289 11.550 1.00 25.00 H new ATOM 190 N LEU A 13 20.022 -17.830 9.030 1.00 25.00 N ATOM 191 CA LEU A 13 20.510 -19.209 8.975 1.00 25.00 C ATOM 192 C LEU A 13 21.201 -19.543 10.269 1.00 25.00 C ATOM 193 O LEU A 13 21.428 -20.701 10.572 1.00 25.00 O ATOM 194 CB LEU A 13 21.536 -19.408 7.862 1.00 25.00 C ATOM 195 CG LEU A 13 21.147 -19.241 6.395 1.00 25.00 C ATOM 196 CD1 LEU A 13 19.664 -19.529 6.126 1.00 25.00 C ATOM 197 CD2 LEU A 13 21.522 -17.860 5.933 1.00 25.00 C ATOM 0 H LEU A 13 20.671 -17.135 8.662 1.00 25.00 H new ATOM 0 HA LEU A 13 19.646 -19.848 8.792 1.00 25.00 H new ATOM 0 HB2 LEU A 13 22.356 -18.716 8.056 1.00 25.00 H new ATOM 0 HB3 LEU A 13 21.937 -20.416 7.973 1.00 25.00 H new ATOM 0 HG LEU A 13 21.701 -19.985 5.822 1.00 25.00 H new ATOM 0 HD11 LEU A 13 19.453 -19.392 5.065 1.00 25.00 H new ATOM 0 HD12 LEU A 13 19.435 -20.556 6.412 1.00 25.00 H new ATOM 0 HD13 LEU A 13 19.049 -18.844 6.709 1.00 25.00 H new ATOM 0 HD21 LEU A 13 21.245 -17.739 4.886 1.00 25.00 H new ATOM 0 HD22 LEU A 13 20.996 -17.119 6.535 1.00 25.00 H new ATOM 0 HD23 LEU A 13 22.597 -17.719 6.042 1.00 25.00 H new ATOM 209 N TYR A 14 21.572 -18.515 11.007 1.00 25.00 N ATOM 210 CA TYR A 14 22.293 -18.673 12.260 1.00 25.00 C ATOM 211 C TYR A 14 21.819 -17.607 13.218 1.00 25.00 C ATOM 212 O TYR A 14 21.315 -16.574 12.791 1.00 25.00 O ATOM 213 CB TYR A 14 23.794 -18.494 12.034 1.00 25.00 C ATOM 214 CG TYR A 14 24.355 -19.415 10.977 1.00 25.00 C ATOM 215 CD1 TYR A 14 24.474 -18.988 9.638 1.00 25.00 C ATOM 216 CD2 TYR A 14 24.761 -20.724 11.298 1.00 25.00 C ATOM 217 CE1 TYR A 14 24.975 -19.856 8.635 1.00 25.00 C ATOM 218 CE2 TYR A 14 25.274 -21.592 10.302 1.00 25.00 C ATOM 219 CZ TYR A 14 25.371 -21.152 8.979 1.00 25.00 C ATOM 220 OH TYR A 14 25.866 -21.987 8.013 1.00 25.00 O ATOM 0 H TYR A 14 21.383 -17.544 10.757 1.00 25.00 H new ATOM 0 HA TYR A 14 22.109 -19.670 12.661 1.00 25.00 H new ATOM 0 HB2 TYR A 14 23.990 -17.461 11.747 1.00 25.00 H new ATOM 0 HB3 TYR A 14 24.319 -18.669 12.973 1.00 25.00 H new ATOM 0 HD1 TYR A 14 24.179 -17.984 9.372 1.00 25.00 H new ATOM 0 HD2 TYR A 14 24.680 -21.072 12.317 1.00 25.00 H new ATOM 0 HE1 TYR A 14 25.050 -19.518 7.612 1.00 25.00 H new ATOM 0 HE2 TYR A 14 25.589 -22.591 10.565 1.00 25.00 H new ATOM 0 HH TYR A 14 26.097 -22.851 8.414 1.00 25.00 H new ATOM 230 N ASP A 15 22.022 -17.844 14.500 1.00 25.00 N ATOM 231 CA ASP A 15 21.747 -16.854 15.520 1.00 25.00 C ATOM 232 C ASP A 15 22.730 -15.700 15.380 1.00 25.00 C ATOM 233 O ASP A 15 23.855 -15.879 14.887 1.00 25.00 O ATOM 234 CB ASP A 15 21.912 -17.500 16.890 1.00 25.00 C ATOM 235 CG ASP A 15 21.002 -18.686 17.069 1.00 25.00 C ATOM 236 OD1 ASP A 15 19.802 -18.469 17.310 1.00 25.00 O ATOM 237 OD2 ASP A 15 21.443 -19.831 16.872 1.00 25.00 O ATOM 0 H ASP A 15 22.382 -18.727 14.862 1.00 25.00 H new ATOM 0 HA ASP A 15 20.730 -16.477 15.409 1.00 25.00 H new ATOM 0 HB2 ASP A 15 22.947 -17.815 17.020 1.00 25.00 H new ATOM 0 HB3 ASP A 15 21.703 -16.763 17.666 1.00 25.00 H new ATOM 242 N ASN A 16 22.335 -14.528 15.848 1.00 25.00 N ATOM 243 CA ASN A 16 23.224 -13.375 15.848 1.00 25.00 C ATOM 244 C ASN A 16 23.090 -12.605 17.140 1.00 25.00 C ATOM 245 O ASN A 16 21.983 -12.367 17.627 1.00 25.00 O ATOM 246 CB ASN A 16 22.936 -12.432 14.682 1.00 25.00 C ATOM 247 CG ASN A 16 24.064 -11.461 14.461 1.00 25.00 C ATOM 248 OD1 ASN A 16 25.209 -11.873 14.301 1.00 25.00 O ATOM 249 ND2 ASN A 16 23.775 -10.194 14.496 1.00 25.00 N ATOM 0 H ASN A 16 21.407 -14.348 16.232 1.00 25.00 H new ATOM 0 HA ASN A 16 24.239 -13.759 15.743 1.00 25.00 H new ATOM 0 HB2 ASN A 16 22.774 -13.014 13.775 1.00 25.00 H new ATOM 0 HB3 ASN A 16 22.015 -11.882 14.877 1.00 25.00 H new ATOM 0 HD21 ASN A 16 24.514 -9.499 14.388 1.00 25.00 H new ATOM 0 HD22 ASN A 16 22.809 -9.895 14.631 1.00 25.00 H new ATOM 256 N VAL A 17 24.227 -12.186 17.666 1.00 25.00 N ATOM 257 CA VAL A 17 24.274 -11.374 18.864 1.00 25.00 C ATOM 258 C VAL A 17 24.766 -10.027 18.386 1.00 25.00 C ATOM 259 O VAL A 17 25.782 -9.938 17.693 1.00 25.00 O ATOM 260 CB VAL A 17 25.227 -11.977 19.929 1.00 25.00 C ATOM 261 CG1 VAL A 17 25.291 -11.083 21.173 1.00 25.00 C ATOM 262 CG2 VAL A 17 24.746 -13.393 20.320 1.00 25.00 C ATOM 0 H VAL A 17 25.143 -12.400 17.273 1.00 25.00 H new ATOM 0 HA VAL A 17 23.302 -11.311 19.353 1.00 25.00 H new ATOM 0 HB VAL A 17 26.228 -12.040 19.501 1.00 25.00 H new ATOM 0 HG11 VAL A 17 25.965 -11.527 21.906 1.00 25.00 H new ATOM 0 HG12 VAL A 17 25.658 -10.096 20.893 1.00 25.00 H new ATOM 0 HG13 VAL A 17 24.295 -10.990 21.606 1.00 25.00 H new ATOM 0 HG21 VAL A 17 25.419 -13.812 21.068 1.00 25.00 H new ATOM 0 HG22 VAL A 17 23.738 -13.334 20.731 1.00 25.00 H new ATOM 0 HG23 VAL A 17 24.742 -14.032 19.437 1.00 25.00 H new ATOM 272 N ALA A 18 23.997 -8.999 18.695 1.00 25.00 N ATOM 273 CA ALA A 18 24.325 -7.648 18.296 1.00 25.00 C ATOM 274 C ALA A 18 25.463 -7.154 19.182 1.00 25.00 C ATOM 275 O ALA A 18 25.341 -7.141 20.404 1.00 25.00 O ATOM 276 CB ALA A 18 23.099 -6.758 18.442 1.00 25.00 C ATOM 0 H ALA A 18 23.131 -9.079 19.228 1.00 25.00 H new ATOM 0 HA ALA A 18 24.638 -7.620 17.252 1.00 25.00 H new ATOM 0 HB1 ALA A 18 23.350 -5.741 18.141 1.00 25.00 H new ATOM 0 HB2 ALA A 18 22.297 -7.137 17.809 1.00 25.00 H new ATOM 0 HB3 ALA A 18 22.771 -6.758 19.482 1.00 25.00 H new ATOM 282 N GLU A 19 26.569 -6.784 18.560 1.00 25.00 N ATOM 283 CA GLU A 19 27.744 -6.304 19.290 1.00 25.00 C ATOM 284 C GLU A 19 27.821 -4.790 19.180 1.00 25.00 C ATOM 285 O GLU A 19 28.435 -4.115 19.997 1.00 25.00 O ATOM 286 CB GLU A 19 29.006 -6.958 18.722 1.00 25.00 C ATOM 287 CG GLU A 19 29.026 -8.456 18.978 1.00 25.00 C ATOM 288 CD GLU A 19 30.275 -9.134 18.438 1.00 25.00 C ATOM 289 OE1 GLU A 19 31.192 -9.428 19.225 1.00 25.00 O ATOM 290 OE2 GLU A 19 30.302 -9.434 17.219 1.00 25.00 O ATOM 0 H GLU A 19 26.684 -6.805 17.547 1.00 25.00 H new ATOM 0 HA GLU A 19 27.663 -6.573 20.343 1.00 25.00 H new ATOM 0 HB2 GLU A 19 29.062 -6.771 17.650 1.00 25.00 H new ATOM 0 HB3 GLU A 19 29.887 -6.500 19.171 1.00 25.00 H new ATOM 0 HG2 GLU A 19 28.956 -8.637 20.051 1.00 25.00 H new ATOM 0 HG3 GLU A 19 28.147 -8.909 18.520 1.00 25.00 H new ATOM 297 N SER A 20 27.146 -4.261 18.174 1.00 25.00 N ATOM 298 CA SER A 20 27.027 -2.817 17.990 1.00 25.00 C ATOM 299 C SER A 20 25.593 -2.426 18.312 1.00 25.00 C ATOM 300 O SER A 20 24.675 -3.222 18.118 1.00 25.00 O ATOM 301 CB SER A 20 27.375 -2.451 16.549 1.00 25.00 C ATOM 302 OG SER A 20 28.698 -2.857 16.265 1.00 25.00 O ATOM 0 H SER A 20 26.666 -4.813 17.463 1.00 25.00 H new ATOM 0 HA SER A 20 27.714 -2.284 18.647 1.00 25.00 H new ATOM 0 HB2 SER A 20 26.680 -2.934 15.862 1.00 25.00 H new ATOM 0 HB3 SER A 20 27.274 -1.376 16.401 1.00 25.00 H new ATOM 0 HG SER A 20 28.920 -2.623 15.340 1.00 25.00 H new ATOM 308 N PRO A 21 25.372 -1.189 18.779 1.00 25.00 N ATOM 309 CA PRO A 21 23.996 -0.780 19.085 1.00 25.00 C ATOM 310 C PRO A 21 23.156 -0.580 17.823 1.00 25.00 C ATOM 311 O PRO A 21 21.933 -0.463 17.889 1.00 25.00 O ATOM 312 CB PRO A 21 24.198 0.534 19.845 1.00 25.00 C ATOM 313 CG PRO A 21 25.462 1.082 19.287 1.00 25.00 C ATOM 314 CD PRO A 21 26.336 -0.106 19.055 1.00 25.00 C ATOM 0 HA PRO A 21 23.446 -1.531 19.653 1.00 25.00 H new ATOM 0 HB2 PRO A 21 23.363 1.218 19.689 1.00 25.00 H new ATOM 0 HB3 PRO A 21 24.276 0.366 20.919 1.00 25.00 H new ATOM 0 HG2 PRO A 21 25.280 1.624 18.359 1.00 25.00 H new ATOM 0 HG3 PRO A 21 25.927 1.783 19.980 1.00 25.00 H new ATOM 0 HD2 PRO A 21 27.015 0.052 18.217 1.00 25.00 H new ATOM 0 HD3 PRO A 21 26.952 -0.328 19.926 1.00 25.00 H new ATOM 322 N ASP A 22 23.822 -0.567 16.678 1.00 25.00 N ATOM 323 CA ASP A 22 23.199 -0.374 15.389 1.00 25.00 C ATOM 324 C ASP A 22 22.853 -1.711 14.780 1.00 25.00 C ATOM 325 O ASP A 22 22.312 -1.761 13.701 1.00 25.00 O ATOM 326 CB ASP A 22 24.204 0.325 14.473 1.00 25.00 C ATOM 327 CG ASP A 22 24.606 1.678 15.000 1.00 25.00 C ATOM 328 OD1 ASP A 22 25.652 1.749 15.683 1.00 25.00 O ATOM 329 OD2 ASP A 22 23.841 2.647 14.820 1.00 25.00 O ATOM 0 H ASP A 22 24.833 -0.694 16.624 1.00 25.00 H new ATOM 0 HA ASP A 22 22.292 0.219 15.505 1.00 25.00 H new ATOM 0 HB2 ASP A 22 25.091 -0.300 14.365 1.00 25.00 H new ATOM 0 HB3 ASP A 22 23.771 0.438 13.479 1.00 25.00 H new ATOM 334 N GLU A 23 23.225 -2.793 15.445 1.00 25.00 N ATOM 335 CA GLU A 23 23.058 -4.147 14.913 1.00 25.00 C ATOM 336 C GLU A 23 21.831 -4.837 15.517 1.00 25.00 C ATOM 337 O GLU A 23 21.438 -4.556 16.649 1.00 25.00 O ATOM 338 CB GLU A 23 24.336 -4.957 15.207 1.00 25.00 C ATOM 339 CG GLU A 23 24.405 -6.314 14.514 1.00 25.00 C ATOM 340 CD GLU A 23 25.669 -7.092 14.836 1.00 25.00 C ATOM 341 OE1 GLU A 23 25.847 -8.171 14.232 1.00 25.00 O ATOM 342 OE2 GLU A 23 26.461 -6.677 15.714 1.00 25.00 O ATOM 0 H GLU A 23 23.652 -2.763 16.371 1.00 25.00 H new ATOM 0 HA GLU A 23 22.897 -4.089 13.837 1.00 25.00 H new ATOM 0 HB2 GLU A 23 25.201 -4.366 14.906 1.00 25.00 H new ATOM 0 HB3 GLU A 23 24.413 -5.110 16.283 1.00 25.00 H new ATOM 0 HG2 GLU A 23 23.538 -6.907 14.805 1.00 25.00 H new ATOM 0 HG3 GLU A 23 24.343 -6.167 13.436 1.00 25.00 H new ATOM 349 N LEU A 24 21.230 -5.751 14.762 1.00 25.00 N ATOM 350 CA LEU A 24 20.109 -6.542 15.266 1.00 25.00 C ATOM 351 C LEU A 24 20.571 -7.883 15.801 1.00 25.00 C ATOM 352 O LEU A 24 21.406 -8.563 15.208 1.00 25.00 O ATOM 353 CB LEU A 24 19.085 -6.803 14.164 1.00 25.00 C ATOM 354 CG LEU A 24 18.238 -5.605 13.727 1.00 25.00 C ATOM 355 CD1 LEU A 24 17.332 -6.026 12.590 1.00 25.00 C ATOM 356 CD2 LEU A 24 17.405 -5.076 14.892 1.00 25.00 C ATOM 0 H LEU A 24 21.498 -5.963 13.801 1.00 25.00 H new ATOM 0 HA LEU A 24 19.657 -5.962 16.071 1.00 25.00 H new ATOM 0 HB2 LEU A 24 19.613 -7.186 13.290 1.00 25.00 H new ATOM 0 HB3 LEU A 24 18.413 -7.592 14.501 1.00 25.00 H new ATOM 0 HG LEU A 24 18.900 -4.805 13.394 1.00 25.00 H new ATOM 0 HD11 LEU A 24 16.726 -5.177 12.274 1.00 25.00 H new ATOM 0 HD12 LEU A 24 17.937 -6.372 11.752 1.00 25.00 H new ATOM 0 HD13 LEU A 24 16.680 -6.833 12.924 1.00 25.00 H new ATOM 0 HD21 LEU A 24 16.811 -4.225 14.558 1.00 25.00 H new ATOM 0 HD22 LEU A 24 16.742 -5.863 15.252 1.00 25.00 H new ATOM 0 HD23 LEU A 24 18.067 -4.762 15.699 1.00 25.00 H new ATOM 368 N SER A 25 19.952 -8.292 16.893 1.00 25.00 N ATOM 369 CA SER A 25 20.176 -9.597 17.474 1.00 25.00 C ATOM 370 C SER A 25 18.940 -10.395 17.143 1.00 25.00 C ATOM 371 O SER A 25 17.819 -9.891 17.264 1.00 25.00 O ATOM 372 CB SER A 25 20.338 -9.498 18.989 1.00 25.00 C ATOM 373 OG SER A 25 19.218 -8.843 19.562 1.00 25.00 O ATOM 0 H SER A 25 19.276 -7.723 17.403 1.00 25.00 H new ATOM 0 HA SER A 25 21.085 -10.056 17.086 1.00 25.00 H new ATOM 0 HB2 SER A 25 20.443 -10.495 19.416 1.00 25.00 H new ATOM 0 HB3 SER A 25 21.250 -8.951 19.229 1.00 25.00 H new ATOM 0 HG SER A 25 18.422 -9.022 19.020 1.00 25.00 H new ATOM 379 N PHE A 26 19.141 -11.623 16.714 1.00 25.00 N ATOM 380 CA PHE A 26 18.038 -12.507 16.349 1.00 25.00 C ATOM 381 C PHE A 26 18.433 -13.970 16.438 1.00 25.00 C ATOM 382 O PHE A 26 19.607 -14.308 16.574 1.00 25.00 O ATOM 383 CB PHE A 26 17.534 -12.190 14.939 1.00 25.00 C ATOM 384 CG PHE A 26 18.610 -12.148 13.894 1.00 25.00 C ATOM 385 CD1 PHE A 26 18.983 -10.920 13.332 1.00 25.00 C ATOM 386 CD2 PHE A 26 19.225 -13.327 13.425 1.00 25.00 C ATOM 387 CE1 PHE A 26 19.928 -10.861 12.306 1.00 25.00 C ATOM 388 CE2 PHE A 26 20.192 -13.273 12.391 1.00 25.00 C ATOM 389 CZ PHE A 26 20.528 -12.045 11.816 1.00 25.00 C ATOM 0 H PHE A 26 20.065 -12.041 16.606 1.00 25.00 H new ATOM 0 HA PHE A 26 17.235 -12.330 17.065 1.00 25.00 H new ATOM 0 HB2 PHE A 26 16.795 -12.938 14.653 1.00 25.00 H new ATOM 0 HB3 PHE A 26 17.023 -11.228 14.956 1.00 25.00 H new ATOM 0 HD1 PHE A 26 18.534 -10.008 13.697 1.00 25.00 H new ATOM 0 HD2 PHE A 26 18.957 -14.279 13.858 1.00 25.00 H new ATOM 0 HE1 PHE A 26 20.203 -9.906 11.884 1.00 25.00 H new ATOM 0 HE2 PHE A 26 20.668 -14.179 12.048 1.00 25.00 H new ATOM 0 HZ PHE A 26 21.239 -12.000 11.005 1.00 25.00 H new ATOM 399 N ARG A 27 17.433 -14.830 16.369 1.00 25.00 N ATOM 400 CA ARG A 27 17.600 -16.272 16.479 1.00 25.00 C ATOM 401 C ARG A 27 17.639 -16.888 15.086 1.00 25.00 C ATOM 402 O ARG A 27 17.042 -16.370 14.146 1.00 25.00 O ATOM 403 CB ARG A 27 16.379 -16.807 17.259 1.00 25.00 C ATOM 404 CG ARG A 27 16.351 -18.297 17.623 1.00 25.00 C ATOM 405 CD ARG A 27 17.015 -18.580 18.965 1.00 25.00 C ATOM 406 NE ARG A 27 16.833 -19.992 19.354 1.00 25.00 N ATOM 407 CZ ARG A 27 17.660 -20.992 19.057 1.00 25.00 C ATOM 408 NH1 ARG A 27 18.763 -20.828 18.382 1.00 25.00 N ATOM 409 NH2 ARG A 27 17.361 -22.194 19.457 1.00 25.00 N ATOM 0 H ARG A 27 16.464 -14.543 16.233 1.00 25.00 H new ATOM 0 HA ARG A 27 18.529 -16.525 16.991 1.00 25.00 H new ATOM 0 HB2 ARG A 27 16.298 -16.236 18.184 1.00 25.00 H new ATOM 0 HB3 ARG A 27 15.487 -16.590 16.671 1.00 25.00 H new ATOM 0 HG2 ARG A 27 15.317 -18.642 17.652 1.00 25.00 H new ATOM 0 HG3 ARG A 27 16.855 -18.868 16.844 1.00 25.00 H new ATOM 0 HD2 ARG A 27 18.079 -18.349 18.905 1.00 25.00 H new ATOM 0 HD3 ARG A 27 16.590 -17.930 19.730 1.00 25.00 H new ATOM 0 HE ARG A 27 16.001 -20.222 19.898 1.00 25.00 H new ATOM 0 HH11 ARG A 27 19.027 -19.899 18.055 1.00 25.00 H new ATOM 0 HH12 ARG A 27 19.362 -21.629 18.181 1.00 25.00 H new ATOM 0 HH21 ARG A 27 16.506 -22.357 19.988 1.00 25.00 H new ATOM 0 HH22 ARG A 27 17.982 -22.973 19.239 1.00 25.00 H new ATOM 423 N LYS A 28 18.293 -18.029 14.967 1.00 25.00 N ATOM 424 CA LYS A 28 18.265 -18.816 13.739 1.00 25.00 C ATOM 425 C LYS A 28 16.810 -19.137 13.413 1.00 25.00 C ATOM 426 O LYS A 28 16.074 -19.635 14.256 1.00 25.00 O ATOM 427 CB LYS A 28 19.054 -20.114 13.941 1.00 25.00 C ATOM 428 CG LYS A 28 18.978 -21.074 12.765 1.00 25.00 C ATOM 429 CD LYS A 28 19.901 -22.262 12.969 1.00 25.00 C ATOM 430 CE LYS A 28 19.805 -23.235 11.803 1.00 25.00 C ATOM 431 NZ LYS A 28 21.137 -23.417 11.168 1.00 25.00 N ATOM 0 H LYS A 28 18.857 -18.438 15.712 1.00 25.00 H new ATOM 0 HA LYS A 28 18.718 -18.257 12.920 1.00 25.00 H new ATOM 0 HB2 LYS A 28 20.099 -19.866 14.128 1.00 25.00 H new ATOM 0 HB3 LYS A 28 18.682 -20.618 14.833 1.00 25.00 H new ATOM 0 HG2 LYS A 28 17.953 -21.423 12.642 1.00 25.00 H new ATOM 0 HG3 LYS A 28 19.249 -20.552 11.847 1.00 25.00 H new ATOM 0 HD2 LYS A 28 20.929 -21.915 13.073 1.00 25.00 H new ATOM 0 HD3 LYS A 28 19.642 -22.773 13.896 1.00 25.00 H new ATOM 0 HE2 LYS A 28 19.428 -24.196 12.153 1.00 25.00 H new ATOM 0 HE3 LYS A 28 19.092 -22.862 11.067 1.00 25.00 H new ATOM 0 HZ1 LYS A 28 21.052 -24.071 10.363 1.00 25.00 H new ATOM 0 HZ2 LYS A 28 21.490 -22.498 10.832 1.00 25.00 H new ATOM 0 HZ3 LYS A 28 21.803 -23.810 11.864 1.00 25.00 H new ATOM 445 N GLY A 29 16.416 -18.857 12.181 1.00 25.00 N ATOM 446 CA GLY A 29 15.060 -19.109 11.731 1.00 25.00 C ATOM 447 C GLY A 29 14.190 -17.866 11.683 1.00 25.00 C ATOM 448 O GLY A 29 13.138 -17.890 11.038 1.00 25.00 O ATOM 0 H GLY A 29 17.024 -18.451 11.470 1.00 25.00 H new ATOM 0 HA2 GLY A 29 15.094 -19.556 10.737 1.00 25.00 H new ATOM 0 HA3 GLY A 29 14.597 -19.840 12.394 1.00 25.00 H new ATOM 452 N ASP A 30 14.624 -16.788 12.327 1.00 25.00 N ATOM 453 CA ASP A 30 13.839 -15.548 12.381 1.00 25.00 C ATOM 454 C ASP A 30 13.740 -14.918 11.008 1.00 25.00 C ATOM 455 O ASP A 30 14.618 -15.113 10.161 1.00 25.00 O ATOM 456 CB ASP A 30 14.483 -14.526 13.333 1.00 25.00 C ATOM 457 CG ASP A 30 14.242 -14.848 14.800 1.00 25.00 C ATOM 458 OD1 ASP A 30 14.797 -14.132 15.664 1.00 25.00 O ATOM 459 OD2 ASP A 30 13.492 -15.800 15.094 1.00 25.00 O ATOM 0 H ASP A 30 15.515 -16.742 12.821 1.00 25.00 H new ATOM 0 HA ASP A 30 12.846 -15.812 12.744 1.00 25.00 H new ATOM 0 HB2 ASP A 30 15.556 -14.489 13.146 1.00 25.00 H new ATOM 0 HB3 ASP A 30 14.087 -13.534 13.114 1.00 25.00 H new ATOM 464 N ILE A 31 12.686 -14.141 10.803 1.00 25.00 N ATOM 465 CA ILE A 31 12.470 -13.430 9.545 1.00 25.00 C ATOM 466 C ILE A 31 12.525 -11.938 9.820 1.00 25.00 C ATOM 467 O ILE A 31 11.816 -11.440 10.689 1.00 25.00 O ATOM 468 CB ILE A 31 11.078 -13.753 8.919 1.00 25.00 C ATOM 469 CG1 ILE A 31 10.924 -15.265 8.662 1.00 25.00 C ATOM 470 CG2 ILE A 31 10.868 -12.960 7.596 1.00 25.00 C ATOM 471 CD1 ILE A 31 11.990 -15.881 7.776 1.00 25.00 C ATOM 0 H ILE A 31 11.957 -13.984 11.499 1.00 25.00 H new ATOM 0 HA ILE A 31 13.244 -13.746 8.845 1.00 25.00 H new ATOM 0 HB ILE A 31 10.314 -13.446 9.634 1.00 25.00 H new ATOM 0 HG12 ILE A 31 10.928 -15.783 9.621 1.00 25.00 H new ATOM 0 HG13 ILE A 31 9.949 -15.443 8.208 1.00 25.00 H new ATOM 0 HG21 ILE A 31 9.891 -13.202 7.178 1.00 25.00 H new ATOM 0 HG22 ILE A 31 10.921 -11.891 7.800 1.00 25.00 H new ATOM 0 HG23 ILE A 31 11.645 -13.232 6.882 1.00 25.00 H new ATOM 0 HD11 ILE A 31 11.793 -16.946 7.656 1.00 25.00 H new ATOM 0 HD12 ILE A 31 11.975 -15.397 6.799 1.00 25.00 H new ATOM 0 HD13 ILE A 31 12.969 -15.743 8.235 1.00 25.00 H new ATOM 483 N MET A 32 13.337 -11.228 9.055 1.00 25.00 N ATOM 484 CA MET A 32 13.431 -9.777 9.161 1.00 25.00 C ATOM 485 C MET A 32 13.223 -9.159 7.795 1.00 25.00 C ATOM 486 O MET A 32 13.442 -9.801 6.764 1.00 25.00 O ATOM 487 CB MET A 32 14.787 -9.354 9.728 1.00 25.00 C ATOM 488 CG MET A 32 15.977 -9.911 8.980 1.00 25.00 C ATOM 489 SD MET A 32 17.246 -10.389 10.148 1.00 25.00 S ATOM 490 CE MET A 32 16.535 -11.931 10.839 1.00 25.00 C ATOM 0 H MET A 32 13.947 -11.635 8.346 1.00 25.00 H new ATOM 0 HA MET A 32 12.657 -9.426 9.844 1.00 25.00 H new ATOM 0 HB2 MET A 32 14.846 -8.266 9.722 1.00 25.00 H new ATOM 0 HB3 MET A 32 14.847 -9.671 10.769 1.00 25.00 H new ATOM 0 HG2 MET A 32 15.675 -10.771 8.383 1.00 25.00 H new ATOM 0 HG3 MET A 32 16.367 -9.164 8.288 1.00 25.00 H new ATOM 0 HE1 MET A 32 16.595 -11.904 11.927 1.00 25.00 H new ATOM 0 HE2 MET A 32 15.492 -12.019 10.535 1.00 25.00 H new ATOM 0 HE3 MET A 32 17.095 -12.789 10.466 1.00 25.00 H new ATOM 500 N THR A 33 12.779 -7.917 7.808 1.00 25.00 N ATOM 501 CA THR A 33 12.521 -7.172 6.578 1.00 25.00 C ATOM 502 C THR A 33 13.785 -6.448 6.177 1.00 25.00 C ATOM 503 O THR A 33 14.218 -5.551 6.879 1.00 25.00 O ATOM 504 CB THR A 33 11.415 -6.120 6.790 1.00 25.00 C ATOM 505 OG1 THR A 33 10.212 -6.776 7.198 1.00 25.00 O ATOM 506 CG2 THR A 33 11.135 -5.342 5.515 1.00 25.00 C ATOM 0 H THR A 33 12.586 -7.394 8.662 1.00 25.00 H new ATOM 0 HA THR A 33 12.202 -7.875 5.808 1.00 25.00 H new ATOM 0 HB THR A 33 11.756 -5.423 7.555 1.00 25.00 H new ATOM 0 HG1 THR A 33 9.507 -6.110 7.336 1.00 25.00 H new ATOM 0 HG21 THR A 33 10.350 -4.609 5.701 1.00 25.00 H new ATOM 0 HG22 THR A 33 12.042 -4.829 5.195 1.00 25.00 H new ATOM 0 HG23 THR A 33 10.812 -6.029 4.733 1.00 25.00 H new ATOM 514 N VAL A 34 14.375 -6.826 5.057 1.00 25.00 N ATOM 515 CA VAL A 34 15.577 -6.176 4.552 1.00 25.00 C ATOM 516 C VAL A 34 15.168 -4.886 3.886 1.00 25.00 C ATOM 517 O VAL A 34 14.316 -4.861 2.990 1.00 25.00 O ATOM 518 CB VAL A 34 16.325 -7.051 3.540 1.00 25.00 C ATOM 519 CG1 VAL A 34 17.634 -6.390 3.079 1.00 25.00 C ATOM 520 CG2 VAL A 34 16.614 -8.399 4.156 1.00 25.00 C ATOM 0 H VAL A 34 14.038 -7.590 4.471 1.00 25.00 H new ATOM 0 HA VAL A 34 16.251 -5.997 5.389 1.00 25.00 H new ATOM 0 HB VAL A 34 15.691 -7.175 2.662 1.00 25.00 H new ATOM 0 HG11 VAL A 34 18.137 -7.039 2.362 1.00 25.00 H new ATOM 0 HG12 VAL A 34 17.412 -5.433 2.608 1.00 25.00 H new ATOM 0 HG13 VAL A 34 18.283 -6.229 3.940 1.00 25.00 H new ATOM 0 HG21 VAL A 34 17.146 -9.021 3.436 1.00 25.00 H new ATOM 0 HG22 VAL A 34 17.229 -8.268 5.047 1.00 25.00 H new ATOM 0 HG23 VAL A 34 15.676 -8.882 4.430 1.00 25.00 H new ATOM 530 N LEU A 35 15.762 -3.810 4.350 1.00 25.00 N ATOM 531 CA LEU A 35 15.466 -2.492 3.859 1.00 25.00 C ATOM 532 C LEU A 35 16.492 -2.124 2.811 1.00 25.00 C ATOM 533 O LEU A 35 16.139 -1.728 1.717 1.00 25.00 O ATOM 534 CB LEU A 35 15.478 -1.521 5.030 1.00 25.00 C ATOM 535 CG LEU A 35 14.409 -1.834 6.086 1.00 25.00 C ATOM 536 CD1 LEU A 35 14.649 -0.960 7.271 1.00 25.00 C ATOM 537 CD2 LEU A 35 12.987 -1.629 5.554 1.00 25.00 C ATOM 0 H LEU A 35 16.469 -3.830 5.085 1.00 25.00 H new ATOM 0 HA LEU A 35 14.480 -2.453 3.397 1.00 25.00 H new ATOM 0 HB2 LEU A 35 16.461 -1.541 5.500 1.00 25.00 H new ATOM 0 HB3 LEU A 35 15.325 -0.509 4.656 1.00 25.00 H new ATOM 0 HG LEU A 35 14.490 -2.886 6.360 1.00 25.00 H new ATOM 0 HD11 LEU A 35 13.899 -1.167 8.034 1.00 25.00 H new ATOM 0 HD12 LEU A 35 15.642 -1.159 7.675 1.00 25.00 H new ATOM 0 HD13 LEU A 35 14.582 0.086 6.971 1.00 25.00 H new ATOM 0 HD21 LEU A 35 12.268 -1.863 6.339 1.00 25.00 H new ATOM 0 HD22 LEU A 35 12.861 -0.592 5.244 1.00 25.00 H new ATOM 0 HD23 LEU A 35 12.820 -2.286 4.700 1.00 25.00 H new ATOM 549 N GLU A 36 17.760 -2.353 3.098 1.00 25.00 N ATOM 550 CA GLU A 36 18.790 -2.171 2.079 1.00 25.00 C ATOM 551 C GLU A 36 19.948 -3.098 2.386 1.00 25.00 C ATOM 552 O GLU A 36 19.965 -3.741 3.429 1.00 25.00 O ATOM 553 CB GLU A 36 19.235 -0.703 1.979 1.00 25.00 C ATOM 554 CG GLU A 36 20.188 -0.237 2.994 1.00 25.00 C ATOM 555 CD GLU A 36 20.333 1.270 2.986 1.00 25.00 C ATOM 556 OE1 GLU A 36 20.317 1.869 4.082 1.00 25.00 O ATOM 557 OE2 GLU A 36 20.446 1.861 1.896 1.00 25.00 O ATOM 0 H GLU A 36 18.102 -2.660 4.009 1.00 25.00 H new ATOM 0 HA GLU A 36 18.382 -2.427 1.101 1.00 25.00 H new ATOM 0 HB2 GLU A 36 19.680 -0.548 0.996 1.00 25.00 H new ATOM 0 HB3 GLU A 36 18.347 -0.073 2.030 1.00 25.00 H new ATOM 0 HG2 GLU A 36 19.857 -0.564 3.980 1.00 25.00 H new ATOM 0 HG3 GLU A 36 21.161 -0.696 2.816 1.00 25.00 H new ATOM 564 N ARG A 37 20.904 -3.184 1.479 1.00 25.00 N ATOM 565 CA ARG A 37 22.070 -4.031 1.672 1.00 25.00 C ATOM 566 C ARG A 37 23.273 -3.154 1.478 1.00 25.00 C ATOM 567 O ARG A 37 23.198 -2.205 0.712 1.00 25.00 O ATOM 568 CB ARG A 37 22.108 -5.152 0.640 1.00 25.00 C ATOM 569 CG ARG A 37 20.902 -6.076 0.678 1.00 25.00 C ATOM 570 CD ARG A 37 21.151 -7.314 -0.161 1.00 25.00 C ATOM 571 NE ARG A 37 21.687 -6.961 -1.487 1.00 25.00 N ATOM 572 CZ ARG A 37 22.135 -7.825 -2.389 1.00 25.00 C ATOM 573 NH1 ARG A 37 22.109 -9.120 -2.190 1.00 25.00 N ATOM 574 NH2 ARG A 37 22.619 -7.370 -3.509 1.00 25.00 N ATOM 0 H ARG A 37 20.896 -2.675 0.595 1.00 25.00 H new ATOM 0 HA ARG A 37 22.044 -4.486 2.662 1.00 25.00 H new ATOM 0 HB2 ARG A 37 22.183 -4.712 -0.355 1.00 25.00 H new ATOM 0 HB3 ARG A 37 23.010 -5.744 0.796 1.00 25.00 H new ATOM 0 HG2 ARG A 37 20.691 -6.365 1.708 1.00 25.00 H new ATOM 0 HG3 ARG A 37 20.022 -5.550 0.307 1.00 25.00 H new ATOM 0 HD2 ARG A 37 21.852 -7.971 0.354 1.00 25.00 H new ATOM 0 HD3 ARG A 37 20.221 -7.870 -0.278 1.00 25.00 H new ATOM 0 HE ARG A 37 21.716 -5.971 -1.732 1.00 25.00 H new ATOM 0 HH11 ARG A 37 21.735 -9.495 -1.318 1.00 25.00 H new ATOM 0 HH12 ARG A 37 22.463 -9.753 -2.907 1.00 25.00 H new ATOM 0 HH21 ARG A 37 22.649 -6.365 -3.681 1.00 25.00 H new ATOM 0 HH22 ARG A 37 22.968 -8.019 -4.215 1.00 25.00 H new ATOM 588 N ASP A 38 24.344 -3.486 2.181 1.00 25.00 N ATOM 589 CA ASP A 38 25.625 -2.791 2.077 1.00 25.00 C ATOM 590 C ASP A 38 25.399 -1.315 2.431 1.00 25.00 C ATOM 591 O ASP A 38 25.941 -0.379 1.836 1.00 25.00 O ATOM 592 CB ASP A 38 26.225 -3.064 0.695 1.00 25.00 C ATOM 593 CG ASP A 38 26.158 -4.557 0.336 1.00 25.00 C ATOM 594 OD1 ASP A 38 26.655 -5.391 1.146 1.00 25.00 O ATOM 595 OD2 ASP A 38 25.462 -4.920 -0.648 1.00 25.00 O ATOM 0 H ASP A 38 24.352 -4.256 2.850 1.00 25.00 H new ATOM 0 HA ASP A 38 26.370 -3.154 2.785 1.00 25.00 H new ATOM 0 HB2 ASP A 38 25.689 -2.484 -0.056 1.00 25.00 H new ATOM 0 HB3 ASP A 38 27.262 -2.730 0.675 1.00 25.00 H new ATOM 600 N THR A 39 24.530 -1.148 3.424 1.00 25.00 N ATOM 601 CA THR A 39 24.093 0.156 3.908 1.00 25.00 C ATOM 602 C THR A 39 25.258 0.919 4.499 1.00 25.00 C ATOM 603 O THR A 39 26.143 0.332 5.083 1.00 25.00 O ATOM 604 CB THR A 39 22.989 -0.005 4.997 1.00 25.00 C ATOM 605 OG1 THR A 39 22.580 1.274 5.487 1.00 25.00 O ATOM 606 CG2 THR A 39 23.440 -0.848 6.151 1.00 25.00 C ATOM 0 H THR A 39 24.103 -1.929 3.923 1.00 25.00 H new ATOM 0 HA THR A 39 23.688 0.708 3.060 1.00 25.00 H new ATOM 0 HB THR A 39 22.151 -0.510 4.517 1.00 25.00 H new ATOM 0 HG1 THR A 39 21.765 1.557 5.022 1.00 25.00 H new ATOM 0 HG21 THR A 39 22.634 -0.928 6.880 1.00 25.00 H new ATOM 0 HG22 THR A 39 23.706 -1.843 5.793 1.00 25.00 H new ATOM 0 HG23 THR A 39 24.309 -0.387 6.620 1.00 25.00 H new ATOM 614 N GLN A 40 25.255 2.234 4.310 1.00 25.00 N ATOM 615 CA GLN A 40 26.318 3.135 4.793 1.00 25.00 C ATOM 616 C GLN A 40 27.699 2.802 4.216 1.00 25.00 C ATOM 617 O GLN A 40 28.714 3.301 4.687 1.00 25.00 O ATOM 618 CB GLN A 40 26.382 3.146 6.330 1.00 25.00 C ATOM 619 CG GLN A 40 25.024 3.184 6.990 1.00 25.00 C ATOM 620 CD GLN A 40 25.100 3.462 8.479 1.00 25.00 C ATOM 621 OE1 GLN A 40 25.864 4.295 8.926 1.00 25.00 O ATOM 622 NE2 GLN A 40 24.296 2.770 9.245 1.00 25.00 N ATOM 0 H GLN A 40 24.509 2.719 3.812 1.00 25.00 H new ATOM 0 HA GLN A 40 26.050 4.129 4.435 1.00 25.00 H new ATOM 0 HB2 GLN A 40 26.917 2.259 6.670 1.00 25.00 H new ATOM 0 HB3 GLN A 40 26.960 4.011 6.655 1.00 25.00 H new ATOM 0 HG2 GLN A 40 24.415 3.952 6.513 1.00 25.00 H new ATOM 0 HG3 GLN A 40 24.520 2.231 6.829 1.00 25.00 H new ATOM 0 HE21 GLN A 40 23.668 2.079 8.833 1.00 25.00 H new ATOM 0 HE22 GLN A 40 24.297 2.921 10.254 1.00 25.00 H new ATOM 631 N GLY A 41 27.724 1.949 3.201 1.00 25.00 N ATOM 632 CA GLY A 41 28.979 1.504 2.620 1.00 25.00 C ATOM 633 C GLY A 41 29.594 0.394 3.452 1.00 25.00 C ATOM 634 O GLY A 41 30.769 0.064 3.296 1.00 25.00 O ATOM 0 H GLY A 41 26.891 1.553 2.765 1.00 25.00 H new ATOM 0 HA2 GLY A 41 28.809 1.151 1.603 1.00 25.00 H new ATOM 0 HA3 GLY A 41 29.672 2.343 2.555 1.00 25.00 H new ATOM 638 N LEU A 42 28.809 -0.180 4.353 1.00 25.00 N ATOM 639 CA LEU A 42 29.270 -1.262 5.198 1.00 25.00 C ATOM 640 C LEU A 42 29.056 -2.558 4.425 1.00 25.00 C ATOM 641 O LEU A 42 27.983 -3.150 4.473 1.00 25.00 O ATOM 642 CB LEU A 42 28.480 -1.275 6.507 1.00 25.00 C ATOM 643 CG LEU A 42 28.547 -0.002 7.353 1.00 25.00 C ATOM 644 CD1 LEU A 42 27.468 -0.044 8.424 1.00 25.00 C ATOM 645 CD2 LEU A 42 29.896 0.147 7.995 1.00 25.00 C ATOM 0 H LEU A 42 27.840 0.093 4.515 1.00 25.00 H new ATOM 0 HA LEU A 42 30.323 -1.141 5.451 1.00 25.00 H new ATOM 0 HB2 LEU A 42 27.434 -1.476 6.273 1.00 25.00 H new ATOM 0 HB3 LEU A 42 28.837 -2.108 7.113 1.00 25.00 H new ATOM 0 HG LEU A 42 28.383 0.855 6.700 1.00 25.00 H new ATOM 0 HD11 LEU A 42 27.517 0.864 9.026 1.00 25.00 H new ATOM 0 HD12 LEU A 42 26.488 -0.113 7.951 1.00 25.00 H new ATOM 0 HD13 LEU A 42 27.624 -0.912 9.064 1.00 25.00 H new ATOM 0 HD21 LEU A 42 29.917 1.060 8.590 1.00 25.00 H new ATOM 0 HD22 LEU A 42 30.089 -0.711 8.639 1.00 25.00 H new ATOM 0 HD23 LEU A 42 30.663 0.201 7.222 1.00 25.00 H new ATOM 657 N ASP A 43 30.063 -2.964 3.674 1.00 25.00 N ATOM 658 CA ASP A 43 29.953 -4.154 2.830 1.00 25.00 C ATOM 659 C ASP A 43 29.576 -5.373 3.660 1.00 25.00 C ATOM 660 O ASP A 43 30.189 -5.664 4.690 1.00 25.00 O ATOM 661 CB ASP A 43 31.269 -4.445 2.105 1.00 25.00 C ATOM 662 CG ASP A 43 31.416 -3.662 0.808 1.00 25.00 C ATOM 663 OD1 ASP A 43 32.560 -3.296 0.467 1.00 25.00 O ATOM 664 OD2 ASP A 43 30.404 -3.490 0.095 1.00 25.00 O ATOM 0 H ASP A 43 30.967 -2.493 3.627 1.00 25.00 H new ATOM 0 HA ASP A 43 29.174 -3.953 2.095 1.00 25.00 H new ATOM 0 HB2 ASP A 43 32.102 -4.205 2.765 1.00 25.00 H new ATOM 0 HB3 ASP A 43 31.331 -5.512 1.889 1.00 25.00 H new ATOM 669 N GLY A 44 28.549 -6.079 3.214 1.00 25.00 N ATOM 670 CA GLY A 44 28.102 -7.273 3.911 1.00 25.00 C ATOM 671 C GLY A 44 27.090 -7.002 5.010 1.00 25.00 C ATOM 672 O GLY A 44 26.430 -7.940 5.471 1.00 25.00 O ATOM 0 H GLY A 44 28.013 -5.847 2.378 1.00 25.00 H new ATOM 0 HA2 GLY A 44 27.663 -7.961 3.188 1.00 25.00 H new ATOM 0 HA3 GLY A 44 28.968 -7.775 4.343 1.00 25.00 H new ATOM 676 N TRP A 45 26.936 -5.756 5.431 1.00 25.00 N ATOM 677 CA TRP A 45 25.963 -5.407 6.445 1.00 25.00 C ATOM 678 C TRP A 45 24.669 -4.999 5.766 1.00 25.00 C ATOM 679 O TRP A 45 24.651 -4.149 4.890 1.00 25.00 O ATOM 680 CB TRP A 45 26.516 -4.255 7.261 1.00 25.00 C ATOM 681 CG TRP A 45 27.574 -4.706 8.206 1.00 25.00 C ATOM 682 CD1 TRP A 45 28.910 -4.507 8.112 1.00 25.00 C ATOM 683 CD2 TRP A 45 27.386 -5.453 9.416 1.00 25.00 C ATOM 684 NE1 TRP A 45 29.575 -5.043 9.169 1.00 25.00 N ATOM 685 CE2 TRP A 45 28.670 -5.648 9.999 1.00 25.00 C ATOM 686 CE3 TRP A 45 26.259 -5.971 10.074 1.00 25.00 C ATOM 687 CZ2 TRP A 45 28.845 -6.341 11.210 1.00 25.00 C ATOM 688 CZ3 TRP A 45 26.427 -6.653 11.290 1.00 25.00 C ATOM 689 CH2 TRP A 45 27.717 -6.835 11.846 1.00 25.00 C ATOM 0 H TRP A 45 27.479 -4.967 5.081 1.00 25.00 H new ATOM 0 HA TRP A 45 25.765 -6.255 7.101 1.00 25.00 H new ATOM 0 HB2 TRP A 45 26.925 -3.498 6.591 1.00 25.00 H new ATOM 0 HB3 TRP A 45 25.707 -3.783 7.819 1.00 25.00 H new ATOM 0 HD1 TRP A 45 29.389 -3.986 7.296 1.00 25.00 H new ATOM 0 HE1 TRP A 45 30.583 -5.001 9.319 1.00 25.00 H new ATOM 0 HE3 TRP A 45 25.274 -5.846 9.650 1.00 25.00 H new ATOM 0 HZ2 TRP A 45 29.829 -6.484 11.632 1.00 25.00 H new ATOM 0 HZ3 TRP A 45 25.563 -7.043 11.807 1.00 25.00 H new ATOM 0 HH2 TRP A 45 27.823 -7.367 12.780 1.00 25.00 H new ATOM 700 N TRP A 46 23.575 -5.625 6.153 1.00 25.00 N ATOM 701 CA TRP A 46 22.289 -5.371 5.515 1.00 25.00 C ATOM 702 C TRP A 46 21.351 -4.729 6.518 1.00 25.00 C ATOM 703 O TRP A 46 21.158 -5.250 7.608 1.00 25.00 O ATOM 704 CB TRP A 46 21.698 -6.690 4.992 1.00 25.00 C ATOM 705 CG TRP A 46 22.547 -7.354 3.903 1.00 25.00 C ATOM 706 CD1 TRP A 46 23.660 -6.856 3.293 1.00 25.00 C ATOM 707 CD2 TRP A 46 22.340 -8.646 3.301 1.00 25.00 C ATOM 708 NE1 TRP A 46 24.156 -7.711 2.362 1.00 25.00 N ATOM 709 CE2 TRP A 46 23.379 -8.835 2.338 1.00 25.00 C ATOM 710 CE3 TRP A 46 21.380 -9.663 3.469 1.00 25.00 C ATOM 711 CZ2 TRP A 46 23.478 -10.007 1.556 1.00 25.00 C ATOM 712 CZ3 TRP A 46 21.487 -10.847 2.695 1.00 25.00 C ATOM 713 CH2 TRP A 46 22.531 -11.001 1.742 1.00 25.00 C ATOM 0 H TRP A 46 23.546 -6.313 6.905 1.00 25.00 H new ATOM 0 HA TRP A 46 22.424 -4.694 4.671 1.00 25.00 H new ATOM 0 HB2 TRP A 46 21.584 -7.383 5.825 1.00 25.00 H new ATOM 0 HB3 TRP A 46 20.700 -6.500 4.597 1.00 25.00 H new ATOM 0 HD1 TRP A 46 24.096 -5.895 3.523 1.00 25.00 H new ATOM 0 HE1 TRP A 46 24.974 -7.542 1.777 1.00 25.00 H new ATOM 0 HE3 TRP A 46 20.574 -9.543 4.177 1.00 25.00 H new ATOM 0 HZ2 TRP A 46 24.271 -10.125 0.832 1.00 25.00 H new ATOM 0 HZ3 TRP A 46 20.767 -11.641 2.831 1.00 25.00 H new ATOM 0 HH2 TRP A 46 22.587 -11.906 1.155 1.00 25.00 H new ATOM 724 N LEU A 47 20.779 -3.592 6.159 1.00 25.00 N ATOM 725 CA LEU A 47 19.847 -2.896 7.037 1.00 25.00 C ATOM 726 C LEU A 47 18.553 -3.668 7.029 1.00 25.00 C ATOM 727 O LEU A 47 17.961 -3.862 5.976 1.00 25.00 O ATOM 728 CB LEU A 47 19.584 -1.480 6.526 1.00 25.00 C ATOM 729 CG LEU A 47 18.587 -0.649 7.344 1.00 25.00 C ATOM 730 CD1 LEU A 47 19.052 -0.460 8.774 1.00 25.00 C ATOM 731 CD2 LEU A 47 18.366 0.699 6.678 1.00 25.00 C ATOM 0 H LEU A 47 20.942 -3.129 5.265 1.00 25.00 H new ATOM 0 HA LEU A 47 20.264 -2.828 8.042 1.00 25.00 H new ATOM 0 HB2 LEU A 47 20.533 -0.944 6.492 1.00 25.00 H new ATOM 0 HB3 LEU A 47 19.218 -1.546 5.501 1.00 25.00 H new ATOM 0 HG LEU A 47 17.644 -1.195 7.376 1.00 25.00 H new ATOM 0 HD11 LEU A 47 18.318 0.134 9.320 1.00 25.00 H new ATOM 0 HD12 LEU A 47 19.160 -1.433 9.253 1.00 25.00 H new ATOM 0 HD13 LEU A 47 20.012 0.056 8.779 1.00 25.00 H new ATOM 0 HD21 LEU A 47 17.657 1.283 7.265 1.00 25.00 H new ATOM 0 HD22 LEU A 47 19.314 1.234 6.616 1.00 25.00 H new ATOM 0 HD23 LEU A 47 17.969 0.548 5.674 1.00 25.00 H new ATOM 743 N CYS A 48 18.104 -4.101 8.195 1.00 25.00 N ATOM 744 CA CYS A 48 16.848 -4.815 8.302 1.00 25.00 C ATOM 745 C CYS A 48 16.025 -4.302 9.463 1.00 25.00 C ATOM 746 O CYS A 48 16.510 -3.547 10.300 1.00 25.00 O ATOM 747 CB CYS A 48 17.097 -6.320 8.469 1.00 25.00 C ATOM 748 SG CYS A 48 18.299 -7.006 7.298 1.00 25.00 S ATOM 0 H CYS A 48 18.593 -3.969 9.080 1.00 25.00 H new ATOM 0 HA CYS A 48 16.291 -4.644 7.381 1.00 25.00 H new ATOM 0 HB2 CYS A 48 17.446 -6.509 9.484 1.00 25.00 H new ATOM 0 HB3 CYS A 48 16.151 -6.849 8.354 1.00 25.00 H new ATOM 0 HG CYS A 48 19.417 -6.349 7.389 1.00 25.00 H new ATOM 754 N SER A 49 14.779 -4.733 9.504 1.00 25.00 N ATOM 755 CA SER A 49 13.865 -4.388 10.577 1.00 25.00 C ATOM 756 C SER A 49 13.306 -5.681 11.149 1.00 25.00 C ATOM 757 O SER A 49 12.820 -6.545 10.400 1.00 25.00 O ATOM 758 CB SER A 49 12.755 -3.486 10.030 1.00 25.00 C ATOM 759 OG SER A 49 11.508 -4.154 9.971 1.00 25.00 O ATOM 0 H SER A 49 14.370 -5.336 8.790 1.00 25.00 H new ATOM 0 HA SER A 49 14.374 -3.839 11.369 1.00 25.00 H new ATOM 0 HB2 SER A 49 12.663 -2.602 10.661 1.00 25.00 H new ATOM 0 HB3 SER A 49 13.028 -3.139 9.033 1.00 25.00 H new ATOM 0 HG SER A 49 10.827 -3.544 9.618 1.00 25.00 H new ATOM 765 N LEU A 50 13.411 -5.832 12.463 1.00 25.00 N ATOM 766 CA LEU A 50 12.941 -7.019 13.166 1.00 25.00 C ATOM 767 C LEU A 50 12.319 -6.564 14.477 1.00 25.00 C ATOM 768 O LEU A 50 12.911 -5.768 15.191 1.00 25.00 O ATOM 769 CB LEU A 50 14.118 -7.951 13.461 1.00 25.00 C ATOM 770 CG LEU A 50 13.750 -9.260 14.172 1.00 25.00 C ATOM 771 CD1 LEU A 50 13.886 -10.429 13.244 1.00 25.00 C ATOM 772 CD2 LEU A 50 14.624 -9.450 15.401 1.00 25.00 C ATOM 0 H LEU A 50 13.827 -5.130 13.075 1.00 25.00 H new ATOM 0 HA LEU A 50 12.214 -7.556 12.557 1.00 25.00 H new ATOM 0 HB2 LEU A 50 14.614 -8.193 12.521 1.00 25.00 H new ATOM 0 HB3 LEU A 50 14.842 -7.414 14.074 1.00 25.00 H new ATOM 0 HG LEU A 50 12.708 -9.200 14.487 1.00 25.00 H new ATOM 0 HD11 LEU A 50 13.620 -11.345 13.771 1.00 25.00 H new ATOM 0 HD12 LEU A 50 13.221 -10.295 12.390 1.00 25.00 H new ATOM 0 HD13 LEU A 50 14.916 -10.498 12.894 1.00 25.00 H new ATOM 0 HD21 LEU A 50 14.355 -10.382 15.898 1.00 25.00 H new ATOM 0 HD22 LEU A 50 15.671 -9.488 15.100 1.00 25.00 H new ATOM 0 HD23 LEU A 50 14.474 -8.616 16.087 1.00 25.00 H new ATOM 784 N HIS A 51 11.105 -7.030 14.752 1.00 25.00 N ATOM 785 CA HIS A 51 10.363 -6.677 15.976 1.00 25.00 C ATOM 786 C HIS A 51 10.213 -5.153 16.150 1.00 25.00 C ATOM 787 O HIS A 51 10.147 -4.649 17.261 1.00 25.00 O ATOM 788 CB HIS A 51 11.050 -7.279 17.221 1.00 25.00 C ATOM 789 CG HIS A 51 11.227 -8.767 17.158 1.00 25.00 C ATOM 790 ND1 HIS A 51 12.096 -9.475 17.953 1.00 25.00 N ATOM 791 CD2 HIS A 51 10.628 -9.705 16.371 1.00 25.00 C ATOM 792 CE1 HIS A 51 12.006 -10.761 17.625 1.00 25.00 C ATOM 793 NE2 HIS A 51 11.121 -10.959 16.669 1.00 25.00 N ATOM 0 H HIS A 51 10.599 -7.666 14.136 1.00 25.00 H new ATOM 0 HA HIS A 51 9.364 -7.099 15.872 1.00 25.00 H new ATOM 0 HB2 HIS A 51 12.027 -6.812 17.346 1.00 25.00 H new ATOM 0 HB3 HIS A 51 10.462 -7.030 18.104 1.00 25.00 H new ATOM 0 HD2 HIS A 51 9.877 -9.497 15.623 1.00 25.00 H new ATOM 0 HE1 HIS A 51 12.587 -11.546 18.086 1.00 25.00 H new ATOM 0 HE2 HIS A 51 10.857 -11.847 16.242 1.00 25.00 H new ATOM 801 N GLY A 52 10.165 -4.427 15.039 1.00 25.00 N ATOM 802 CA GLY A 52 10.021 -2.977 15.091 1.00 25.00 C ATOM 803 C GLY A 52 11.314 -2.224 15.379 1.00 25.00 C ATOM 804 O GLY A 52 11.293 -1.006 15.536 1.00 25.00 O ATOM 0 H GLY A 52 10.223 -4.815 14.098 1.00 25.00 H new ATOM 0 HA2 GLY A 52 9.618 -2.630 14.140 1.00 25.00 H new ATOM 0 HA3 GLY A 52 9.289 -2.724 15.859 1.00 25.00 H new ATOM 808 N ARG A 53 12.440 -2.925 15.427 1.00 25.00 N ATOM 809 CA ARG A 53 13.738 -2.303 15.674 1.00 25.00 C ATOM 810 C ARG A 53 14.471 -2.412 14.354 1.00 25.00 C ATOM 811 O ARG A 53 14.417 -3.450 13.697 1.00 25.00 O ATOM 812 CB ARG A 53 14.477 -3.068 16.792 1.00 25.00 C ATOM 813 CG ARG A 53 15.500 -2.247 17.622 1.00 25.00 C ATOM 814 CD ARG A 53 16.716 -1.833 16.791 1.00 25.00 C ATOM 815 NE ARG A 53 17.876 -1.378 17.579 1.00 25.00 N ATOM 816 CZ ARG A 53 18.115 -0.123 17.948 1.00 25.00 C ATOM 817 NH1 ARG A 53 17.284 0.859 17.693 1.00 25.00 N ATOM 818 NH2 ARG A 53 19.217 0.153 18.576 1.00 25.00 N ATOM 0 H ARG A 53 12.481 -3.936 15.297 1.00 25.00 H new ATOM 0 HA ARG A 53 13.661 -1.267 16.004 1.00 25.00 H new ATOM 0 HB2 ARG A 53 13.734 -3.480 17.475 1.00 25.00 H new ATOM 0 HB3 ARG A 53 14.999 -3.912 16.342 1.00 25.00 H new ATOM 0 HG2 ARG A 53 15.013 -1.356 18.019 1.00 25.00 H new ATOM 0 HG3 ARG A 53 15.830 -2.838 18.477 1.00 25.00 H new ATOM 0 HD2 ARG A 53 17.022 -2.678 16.174 1.00 25.00 H new ATOM 0 HD3 ARG A 53 16.420 -1.034 16.112 1.00 25.00 H new ATOM 0 HE ARG A 53 18.552 -2.086 17.865 1.00 25.00 H new ATOM 0 HH11 ARG A 53 16.414 0.674 17.193 1.00 25.00 H new ATOM 0 HH12 ARG A 53 17.507 1.807 17.995 1.00 25.00 H new ATOM 0 HH21 ARG A 53 19.887 -0.589 18.781 1.00 25.00 H new ATOM 0 HH22 ARG A 53 19.413 1.111 18.865 1.00 25.00 H new ATOM 832 N GLN A 54 15.141 -1.350 13.962 1.00 25.00 N ATOM 833 CA GLN A 54 15.917 -1.331 12.730 1.00 25.00 C ATOM 834 C GLN A 54 17.396 -1.399 13.060 1.00 25.00 C ATOM 835 O GLN A 54 17.834 -0.789 14.027 1.00 25.00 O ATOM 836 CB GLN A 54 15.631 -0.046 11.966 1.00 25.00 C ATOM 837 CG GLN A 54 14.937 -0.275 10.669 1.00 25.00 C ATOM 838 CD GLN A 54 14.610 1.019 9.958 1.00 25.00 C ATOM 839 OE1 GLN A 54 13.457 1.393 9.842 1.00 25.00 O ATOM 840 NE2 GLN A 54 15.616 1.704 9.476 1.00 25.00 N ATOM 0 H GLN A 54 15.166 -0.474 14.484 1.00 25.00 H new ATOM 0 HA GLN A 54 15.640 -2.189 12.117 1.00 25.00 H new ATOM 0 HB2 GLN A 54 15.020 0.609 12.587 1.00 25.00 H new ATOM 0 HB3 GLN A 54 16.570 0.475 11.781 1.00 25.00 H new ATOM 0 HG2 GLN A 54 15.566 -0.891 10.027 1.00 25.00 H new ATOM 0 HG3 GLN A 54 14.017 -0.833 10.845 1.00 25.00 H new ATOM 0 HE21 GLN A 54 16.569 1.360 9.592 1.00 25.00 H new ATOM 0 HE22 GLN A 54 15.447 2.582 8.985 1.00 25.00 H new ATOM 849 N GLY A 55 18.157 -2.121 12.257 1.00 25.00 N ATOM 850 CA GLY A 55 19.588 -2.219 12.482 1.00 25.00 C ATOM 851 C GLY A 55 20.281 -3.022 11.405 1.00 25.00 C ATOM 852 O GLY A 55 19.616 -3.608 10.550 1.00 25.00 O ATOM 0 H GLY A 55 17.813 -2.643 11.451 1.00 25.00 H new ATOM 0 HA2 GLY A 55 20.018 -1.218 12.520 1.00 25.00 H new ATOM 0 HA3 GLY A 55 19.771 -2.681 13.452 1.00 25.00 H new ATOM 856 N ILE A 56 21.606 -3.037 11.423 1.00 25.00 N ATOM 857 CA ILE A 56 22.383 -3.774 10.430 1.00 25.00 C ATOM 858 C ILE A 56 22.464 -5.241 10.834 1.00 25.00 C ATOM 859 O ILE A 56 22.265 -5.598 11.996 1.00 25.00 O ATOM 860 CB ILE A 56 23.807 -3.160 10.242 1.00 25.00 C ATOM 861 CG1 ILE A 56 24.622 -3.289 11.546 1.00 25.00 C ATOM 862 CG2 ILE A 56 23.671 -1.681 9.834 1.00 25.00 C ATOM 863 CD1 ILE A 56 26.029 -2.717 11.484 1.00 25.00 C ATOM 0 H ILE A 56 22.170 -2.546 12.117 1.00 25.00 H new ATOM 0 HA ILE A 56 21.878 -3.698 9.467 1.00 25.00 H new ATOM 0 HB ILE A 56 24.335 -3.702 9.457 1.00 25.00 H new ATOM 0 HG12 ILE A 56 24.078 -2.789 12.348 1.00 25.00 H new ATOM 0 HG13 ILE A 56 24.686 -4.344 11.814 1.00 25.00 H new ATOM 0 HG21 ILE A 56 24.662 -1.247 9.701 1.00 25.00 H new ATOM 0 HG22 ILE A 56 23.116 -1.611 8.898 1.00 25.00 H new ATOM 0 HG23 ILE A 56 23.138 -1.136 10.613 1.00 25.00 H new ATOM 0 HD11 ILE A 56 26.521 -2.855 12.447 1.00 25.00 H new ATOM 0 HD12 ILE A 56 26.597 -3.232 10.709 1.00 25.00 H new ATOM 0 HD13 ILE A 56 25.979 -1.653 11.251 1.00 25.00 H new ATOM 875 N VAL A 57 22.703 -6.088 9.849 1.00 25.00 N ATOM 876 CA VAL A 57 22.751 -7.534 10.041 1.00 25.00 C ATOM 877 C VAL A 57 23.864 -8.101 9.174 1.00 25.00 C ATOM 878 O VAL A 57 24.003 -7.703 8.018 1.00 25.00 O ATOM 879 CB VAL A 57 21.424 -8.177 9.567 1.00 25.00 C ATOM 880 CG1 VAL A 57 21.477 -9.680 9.602 1.00 25.00 C ATOM 881 CG2 VAL A 57 20.251 -7.648 10.394 1.00 25.00 C ATOM 0 H VAL A 57 22.871 -5.795 8.887 1.00 25.00 H new ATOM 0 HA VAL A 57 22.916 -7.746 11.097 1.00 25.00 H new ATOM 0 HB VAL A 57 21.274 -7.892 8.526 1.00 25.00 H new ATOM 0 HG11 VAL A 57 20.524 -10.086 9.261 1.00 25.00 H new ATOM 0 HG12 VAL A 57 22.276 -10.031 8.949 1.00 25.00 H new ATOM 0 HG13 VAL A 57 21.669 -10.014 10.622 1.00 25.00 H new ATOM 0 HG21 VAL A 57 19.325 -8.109 10.049 1.00 25.00 H new ATOM 0 HG22 VAL A 57 20.408 -7.891 11.445 1.00 25.00 H new ATOM 0 HG23 VAL A 57 20.183 -6.566 10.278 1.00 25.00 H new ATOM 891 N PRO A 58 24.641 -9.066 9.691 1.00 25.00 N ATOM 892 CA PRO A 58 25.636 -9.697 8.825 1.00 25.00 C ATOM 893 C PRO A 58 24.966 -10.581 7.763 1.00 25.00 C ATOM 894 O PRO A 58 24.402 -11.637 8.067 1.00 25.00 O ATOM 895 CB PRO A 58 26.468 -10.516 9.813 1.00 25.00 C ATOM 896 CG PRO A 58 25.529 -10.858 10.912 1.00 25.00 C ATOM 897 CD PRO A 58 24.621 -9.664 11.037 1.00 25.00 C ATOM 0 HA PRO A 58 26.234 -8.987 8.254 1.00 25.00 H new ATOM 0 HB2 PRO A 58 26.869 -11.414 9.343 1.00 25.00 H new ATOM 0 HB3 PRO A 58 27.318 -9.943 10.184 1.00 25.00 H new ATOM 0 HG2 PRO A 58 24.964 -11.761 10.681 1.00 25.00 H new ATOM 0 HG3 PRO A 58 26.064 -11.046 11.843 1.00 25.00 H new ATOM 0 HD2 PRO A 58 23.613 -9.957 11.330 1.00 25.00 H new ATOM 0 HD3 PRO A 58 24.981 -8.964 11.791 1.00 25.00 H new ATOM 905 N GLY A 59 25.037 -10.152 6.510 1.00 25.00 N ATOM 906 CA GLY A 59 24.422 -10.884 5.412 1.00 25.00 C ATOM 907 C GLY A 59 24.967 -12.288 5.256 1.00 25.00 C ATOM 908 O GLY A 59 24.300 -13.169 4.743 1.00 25.00 O ATOM 0 H GLY A 59 25.517 -9.297 6.228 1.00 25.00 H new ATOM 0 HA2 GLY A 59 23.345 -10.934 5.575 1.00 25.00 H new ATOM 0 HA3 GLY A 59 24.579 -10.334 4.484 1.00 25.00 H new ATOM 912 N ASN A 60 26.168 -12.517 5.769 1.00 25.00 N ATOM 913 CA ASN A 60 26.796 -13.838 5.728 1.00 25.00 C ATOM 914 C ASN A 60 26.041 -14.878 6.579 1.00 25.00 C ATOM 915 O ASN A 60 26.265 -16.076 6.453 1.00 25.00 O ATOM 916 CB ASN A 60 28.246 -13.729 6.209 1.00 25.00 C ATOM 917 CG ASN A 60 29.102 -14.882 5.734 1.00 25.00 C ATOM 918 OD1 ASN A 60 28.859 -15.465 4.694 1.00 25.00 O ATOM 919 ND2 ASN A 60 30.125 -15.189 6.477 1.00 25.00 N ATOM 0 H ASN A 60 26.734 -11.800 6.223 1.00 25.00 H new ATOM 0 HA ASN A 60 26.764 -14.184 4.695 1.00 25.00 H new ATOM 0 HB2 ASN A 60 28.674 -12.792 5.853 1.00 25.00 H new ATOM 0 HB3 ASN A 60 28.262 -13.693 7.298 1.00 25.00 H new ATOM 0 HD21 ASN A 60 30.754 -15.940 6.194 1.00 25.00 H new ATOM 0 HD22 ASN A 60 30.298 -14.678 7.343 1.00 25.00 H new ATOM 926 N ARG A 61 25.133 -14.416 7.433 1.00 25.00 N ATOM 927 CA ARG A 61 24.313 -15.302 8.263 1.00 25.00 C ATOM 928 C ARG A 61 22.841 -15.182 7.887 1.00 25.00 C ATOM 929 O ARG A 61 21.966 -15.695 8.593 1.00 25.00 O ATOM 930 CB ARG A 61 24.487 -14.943 9.743 1.00 25.00 C ATOM 931 CG ARG A 61 25.898 -15.155 10.261 1.00 25.00 C ATOM 932 CD ARG A 61 25.974 -14.857 11.748 1.00 25.00 C ATOM 933 NE ARG A 61 27.316 -15.143 12.274 1.00 25.00 N ATOM 934 CZ ARG A 61 27.688 -15.021 13.542 1.00 25.00 C ATOM 935 NH1 ARG A 61 26.875 -14.609 14.482 1.00 25.00 N ATOM 936 NH2 ARG A 61 28.912 -15.327 13.863 1.00 25.00 N ATOM 0 H ARG A 61 24.943 -13.423 7.571 1.00 25.00 H new ATOM 0 HA ARG A 61 24.640 -16.328 8.093 1.00 25.00 H new ATOM 0 HB2 ARG A 61 24.209 -13.899 9.890 1.00 25.00 H new ATOM 0 HB3 ARG A 61 23.798 -15.543 10.337 1.00 25.00 H new ATOM 0 HG2 ARG A 61 26.209 -16.183 10.075 1.00 25.00 H new ATOM 0 HG3 ARG A 61 26.590 -14.510 9.720 1.00 25.00 H new ATOM 0 HD2 ARG A 61 25.725 -13.811 11.926 1.00 25.00 H new ATOM 0 HD3 ARG A 61 25.235 -15.456 12.281 1.00 25.00 H new ATOM 0 HE ARG A 61 28.020 -15.462 11.609 1.00 25.00 H new ATOM 0 HH11 ARG A 61 25.911 -14.366 14.252 1.00 25.00 H new ATOM 0 HH12 ARG A 61 27.205 -14.531 15.444 1.00 25.00 H new ATOM 0 HH21 ARG A 61 29.561 -15.652 13.146 1.00 25.00 H new ATOM 0 HH22 ARG A 61 29.222 -15.242 14.831 1.00 25.00 H new ATOM 950 N LEU A 62 22.564 -14.494 6.790 1.00 25.00 N ATOM 951 CA LEU A 62 21.190 -14.214 6.382 1.00 25.00 C ATOM 952 C LEU A 62 20.905 -14.666 4.957 1.00 25.00 C ATOM 953 O LEU A 62 21.755 -14.588 4.081 1.00 25.00 O ATOM 954 CB LEU A 62 20.930 -12.709 6.491 1.00 25.00 C ATOM 955 CG LEU A 62 19.488 -12.286 6.781 1.00 25.00 C ATOM 956 CD1 LEU A 62 19.022 -12.707 8.127 1.00 25.00 C ATOM 957 CD2 LEU A 62 19.345 -10.785 6.631 1.00 25.00 C ATOM 0 H LEU A 62 23.274 -14.117 6.162 1.00 25.00 H new ATOM 0 HA LEU A 62 20.530 -14.773 7.045 1.00 25.00 H new ATOM 0 HB2 LEU A 62 21.568 -12.308 7.278 1.00 25.00 H new ATOM 0 HB3 LEU A 62 21.242 -12.240 5.558 1.00 25.00 H new ATOM 0 HG LEU A 62 18.857 -12.795 6.052 1.00 25.00 H new ATOM 0 HD11 LEU A 62 17.993 -12.379 8.275 1.00 25.00 H new ATOM 0 HD12 LEU A 62 19.071 -13.793 8.206 1.00 25.00 H new ATOM 0 HD13 LEU A 62 19.659 -12.258 8.889 1.00 25.00 H new ATOM 0 HD21 LEU A 62 18.315 -10.495 6.840 1.00 25.00 H new ATOM 0 HD22 LEU A 62 20.012 -10.284 7.332 1.00 25.00 H new ATOM 0 HD23 LEU A 62 19.605 -10.495 5.613 1.00 25.00 H new ATOM 969 N LYS A 63 19.688 -15.130 4.718 1.00 25.00 N ATOM 970 CA LYS A 63 19.282 -15.545 3.378 1.00 25.00 C ATOM 971 C LYS A 63 18.080 -14.788 2.915 1.00 25.00 C ATOM 972 O LYS A 63 17.012 -14.881 3.504 1.00 25.00 O ATOM 973 CB LYS A 63 18.968 -17.034 3.322 1.00 25.00 C ATOM 974 CG LYS A 63 18.594 -17.510 1.911 1.00 25.00 C ATOM 975 CD LYS A 63 18.318 -19.006 1.848 1.00 25.00 C ATOM 976 CE LYS A 63 19.572 -19.850 2.084 1.00 25.00 C ATOM 977 NZ LYS A 63 20.638 -19.628 1.041 1.00 25.00 N ATOM 0 H LYS A 63 18.964 -15.230 5.430 1.00 25.00 H new ATOM 0 HA LYS A 63 20.125 -15.330 2.721 1.00 25.00 H new ATOM 0 HB2 LYS A 63 19.833 -17.597 3.673 1.00 25.00 H new ATOM 0 HB3 LYS A 63 18.147 -17.254 4.004 1.00 25.00 H new ATOM 0 HG2 LYS A 63 17.712 -16.968 1.571 1.00 25.00 H new ATOM 0 HG3 LYS A 63 19.403 -17.265 1.223 1.00 25.00 H new ATOM 0 HD2 LYS A 63 17.566 -19.264 2.594 1.00 25.00 H new ATOM 0 HD3 LYS A 63 17.898 -19.253 0.873 1.00 25.00 H new ATOM 0 HE2 LYS A 63 19.980 -19.617 3.068 1.00 25.00 H new ATOM 0 HE3 LYS A 63 19.296 -20.905 2.095 1.00 25.00 H new ATOM 0 HZ1 LYS A 63 21.387 -20.341 1.152 1.00 25.00 H new ATOM 0 HZ2 LYS A 63 20.219 -19.711 0.093 1.00 25.00 H new ATOM 0 HZ3 LYS A 63 21.045 -18.678 1.157 1.00 25.00 H new ATOM 991 N ILE A 64 18.256 -14.086 1.816 1.00 25.00 N ATOM 992 CA ILE A 64 17.173 -13.349 1.191 1.00 25.00 C ATOM 993 C ILE A 64 16.167 -14.354 0.647 1.00 25.00 C ATOM 994 O ILE A 64 16.529 -15.258 -0.110 1.00 25.00 O ATOM 995 CB ILE A 64 17.717 -12.483 0.038 1.00 25.00 C ATOM 996 CG1 ILE A 64 18.811 -11.528 0.549 1.00 25.00 C ATOM 997 CG2 ILE A 64 16.602 -11.692 -0.613 1.00 25.00 C ATOM 998 CD1 ILE A 64 18.370 -10.532 1.648 1.00 25.00 C ATOM 0 H ILE A 64 19.150 -14.009 1.330 1.00 25.00 H new ATOM 0 HA ILE A 64 16.699 -12.693 1.921 1.00 25.00 H new ATOM 0 HB ILE A 64 18.151 -13.149 -0.708 1.00 25.00 H new ATOM 0 HG12 ILE A 64 19.637 -12.125 0.935 1.00 25.00 H new ATOM 0 HG13 ILE A 64 19.196 -10.960 -0.298 1.00 25.00 H new ATOM 0 HG21 ILE A 64 17.010 -11.088 -1.424 1.00 25.00 H new ATOM 0 HG22 ILE A 64 15.854 -12.378 -1.012 1.00 25.00 H new ATOM 0 HG23 ILE A 64 16.138 -11.040 0.127 1.00 25.00 H new ATOM 0 HD11 ILE A 64 19.217 -9.908 1.935 1.00 25.00 H new ATOM 0 HD12 ILE A 64 17.567 -9.901 1.266 1.00 25.00 H new ATOM 0 HD13 ILE A 64 18.015 -11.084 2.518 1.00 25.00 H new ATOM 1010 N LEU A 65 14.918 -14.213 1.053 1.00 25.00 N ATOM 1011 CA LEU A 65 13.867 -15.123 0.621 1.00 25.00 C ATOM 1012 C LEU A 65 13.159 -14.554 -0.599 1.00 25.00 C ATOM 1013 O LEU A 65 12.109 -13.923 -0.500 1.00 25.00 O ATOM 1014 CB LEU A 65 12.868 -15.372 1.755 1.00 25.00 C ATOM 1015 CG LEU A 65 13.464 -15.941 3.052 1.00 25.00 C ATOM 1016 CD1 LEU A 65 12.328 -16.133 4.042 1.00 25.00 C ATOM 1017 CD2 LEU A 65 14.217 -17.270 2.832 1.00 25.00 C ATOM 0 H LEU A 65 14.604 -13.475 1.683 1.00 25.00 H new ATOM 0 HA LEU A 65 14.319 -16.078 0.353 1.00 25.00 H new ATOM 0 HB2 LEU A 65 12.368 -14.432 1.988 1.00 25.00 H new ATOM 0 HB3 LEU A 65 12.102 -16.060 1.396 1.00 25.00 H new ATOM 0 HG LEU A 65 14.203 -15.237 3.434 1.00 25.00 H new ATOM 0 HD11 LEU A 65 12.722 -16.537 4.974 1.00 25.00 H new ATOM 0 HD12 LEU A 65 11.849 -15.174 4.236 1.00 25.00 H new ATOM 0 HD13 LEU A 65 11.597 -16.827 3.627 1.00 25.00 H new ATOM 0 HD21 LEU A 65 14.616 -17.624 3.783 1.00 25.00 H new ATOM 0 HD22 LEU A 65 13.531 -18.014 2.427 1.00 25.00 H new ATOM 0 HD23 LEU A 65 15.036 -17.112 2.131 1.00 25.00 H new ATOM 1327 N PRO A 89 29.169 -18.818 10.615 1.00 25.00 N ATOM 1328 CA PRO A 89 30.340 -18.216 9.970 1.00 25.00 C ATOM 1329 C PRO A 89 30.624 -16.800 10.493 1.00 25.00 C ATOM 1330 O PRO A 89 29.767 -16.187 11.149 1.00 25.00 O ATOM 1331 CB PRO A 89 29.927 -18.194 8.495 1.00 25.00 C ATOM 1332 CG PRO A 89 28.469 -17.991 8.539 1.00 25.00 C ATOM 1333 CD PRO A 89 28.015 -18.840 9.696 1.00 25.00 C ATOM 0 HA PRO A 89 31.262 -18.765 10.160 1.00 25.00 H new ATOM 0 HB2 PRO A 89 30.426 -17.391 7.952 1.00 25.00 H new ATOM 0 HB3 PRO A 89 30.186 -19.127 7.994 1.00 25.00 H new ATOM 0 HG2 PRO A 89 28.217 -16.942 8.692 1.00 25.00 H new ATOM 0 HG3 PRO A 89 27.995 -18.300 7.607 1.00 25.00 H new ATOM 0 HD2 PRO A 89 27.120 -18.432 10.166 1.00 25.00 H new ATOM 0 HD3 PRO A 89 27.774 -19.855 9.379 1.00 25.00 H new ATOM 1341 N PRO A 90 31.830 -16.259 10.224 1.00 25.00 N ATOM 1342 CA PRO A 90 32.137 -14.904 10.706 1.00 25.00 C ATOM 1343 C PRO A 90 31.222 -13.810 10.153 1.00 25.00 C ATOM 1344 O PRO A 90 30.611 -13.965 9.094 1.00 25.00 O ATOM 1345 CB PRO A 90 33.567 -14.673 10.196 1.00 25.00 C ATOM 1346 CG PRO A 90 34.122 -16.034 10.002 1.00 25.00 C ATOM 1347 CD PRO A 90 32.974 -16.832 9.487 1.00 25.00 C ATOM 0 HA PRO A 90 32.006 -14.845 11.786 1.00 25.00 H new ATOM 0 HB2 PRO A 90 33.569 -14.108 9.264 1.00 25.00 H new ATOM 0 HB3 PRO A 90 34.157 -14.104 10.915 1.00 25.00 H new ATOM 0 HG2 PRO A 90 34.951 -16.028 9.294 1.00 25.00 H new ATOM 0 HG3 PRO A 90 34.504 -16.444 10.937 1.00 25.00 H new ATOM 0 HD2 PRO A 90 32.857 -16.725 8.409 1.00 25.00 H new ATOM 0 HD3 PRO A 90 33.096 -17.896 9.690 1.00 25.00 H new ATOM 1355 N LYS A 91 31.180 -12.682 10.852 1.00 25.00 N ATOM 1356 CA LYS A 91 30.452 -11.497 10.389 1.00 25.00 C ATOM 1357 C LYS A 91 31.492 -10.542 9.787 1.00 25.00 C ATOM 1358 O LYS A 91 32.666 -10.608 10.154 1.00 25.00 O ATOM 1359 CB LYS A 91 29.697 -10.825 11.555 1.00 25.00 C ATOM 1360 CG LYS A 91 30.560 -10.458 12.772 1.00 25.00 C ATOM 1361 CD LYS A 91 29.818 -9.547 13.774 1.00 25.00 C ATOM 1362 CE LYS A 91 28.637 -10.238 14.478 1.00 25.00 C ATOM 1363 NZ LYS A 91 28.053 -9.347 15.544 1.00 25.00 N ATOM 0 H LYS A 91 31.645 -12.559 11.751 1.00 25.00 H new ATOM 0 HA LYS A 91 29.703 -11.770 9.646 1.00 25.00 H new ATOM 0 HB2 LYS A 91 29.220 -9.919 11.182 1.00 25.00 H new ATOM 0 HB3 LYS A 91 28.901 -11.493 11.883 1.00 25.00 H new ATOM 0 HG2 LYS A 91 30.873 -11.371 13.279 1.00 25.00 H new ATOM 0 HG3 LYS A 91 31.466 -9.956 12.432 1.00 25.00 H new ATOM 0 HD2 LYS A 91 30.525 -9.198 14.527 1.00 25.00 H new ATOM 0 HD3 LYS A 91 29.451 -8.666 13.248 1.00 25.00 H new ATOM 0 HE2 LYS A 91 27.869 -10.489 13.747 1.00 25.00 H new ATOM 0 HE3 LYS A 91 28.971 -11.175 14.924 1.00 25.00 H new ATOM 0 HZ1 LYS A 91 27.326 -9.870 16.073 1.00 25.00 H new ATOM 0 HZ2 LYS A 91 28.806 -9.045 16.195 1.00 25.00 H new ATOM 0 HZ3 LYS A 91 27.623 -8.510 15.100 1.00 25.00 H new ATOM 1377 N PRO A 92 31.087 -9.677 8.837 1.00 25.00 N ATOM 1378 CA PRO A 92 32.069 -8.728 8.291 1.00 25.00 C ATOM 1379 C PRO A 92 32.469 -7.669 9.334 1.00 25.00 C ATOM 1380 O PRO A 92 31.774 -7.494 10.337 1.00 25.00 O ATOM 1381 CB PRO A 92 31.320 -8.114 7.102 1.00 25.00 C ATOM 1382 CG PRO A 92 29.899 -8.202 7.474 1.00 25.00 C ATOM 1383 CD PRO A 92 29.757 -9.488 8.224 1.00 25.00 C ATOM 0 HA PRO A 92 33.011 -9.194 8.003 1.00 25.00 H new ATOM 0 HB2 PRO A 92 31.623 -7.080 6.934 1.00 25.00 H new ATOM 0 HB3 PRO A 92 31.523 -8.660 6.181 1.00 25.00 H new ATOM 0 HG2 PRO A 92 29.602 -7.354 8.091 1.00 25.00 H new ATOM 0 HG3 PRO A 92 29.261 -8.192 6.590 1.00 25.00 H new ATOM 0 HD2 PRO A 92 28.972 -9.429 8.978 1.00 25.00 H new ATOM 0 HD3 PRO A 92 29.500 -10.314 7.560 1.00 25.00 H new