USER MOD reduce.3.24.130724 H: found=0, std=0, add=514, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 514 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 : X 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 5 THR OG1 : rot 180:sc= -0.681 USER MOD Single : X 16 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : X 25 TYR OH : rot 180:sc= 0 USER MOD Single : X 27 ASN : amide:sc= -2.63! C(o=-2.6!,f=-3.9!) USER MOD Single : X 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 30 THR OG1 : rot 180:sc= 0 USER MOD Single : X 32 TYR OH : rot 180:sc= 0 USER MOD Single : X 34 SER OG : rot 180:sc= 0 USER MOD Single : X 35 SER OG : rot 180:sc= -0.0355 USER MOD Single : X 36 SER OG : rot 180:sc= 0 USER MOD Single : X 41 GLN : amide:sc= -0.619 K(o=-0.62,f=-3.2!) USER MOD Single : X 42 THR OG1 : rot 180:sc= 0 USER MOD Single : X 52 SER OG : rot 180:sc= 0 USER MOD Single : X 60 MET CE :methyl -134:sc= -0.228 (180deg=-1.15) USER MOD Single : X 61 TYR OH : rot 180:sc= -0.805 USER MOD Single : X 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 69 LYS NZ :NH3+ -155:sc= -0.176 (180deg=-0.957) USER MOD Single : X 70 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY X 1 32.813 -16.236 25.078 1.00 0.00 N ATOM 2 CA GLY X 1 31.859 -15.996 26.197 1.00 0.00 C ATOM 3 C GLY X 1 30.431 -16.015 25.661 1.00 0.00 C ATOM 4 O GLY X 1 29.849 -14.966 25.383 1.00 0.00 O ATOM 0 H1 GLY X 1 33.787 -16.223 25.443 1.00 0.00 H new ATOM 0 H2 GLY X 1 32.617 -17.162 24.647 1.00 0.00 H new ATOM 0 H3 GLY X 1 32.702 -15.491 24.361 1.00 0.00 H new ATOM 0 HA2 GLY X 1 31.981 -16.761 26.964 1.00 0.00 H new ATOM 0 HA3 GLY X 1 32.069 -15.036 26.669 1.00 0.00 H new ATOM 10 N GLY X 2 29.873 -17.213 25.519 1.00 0.00 N ATOM 11 CA GLY X 2 28.512 -17.354 25.016 1.00 0.00 C ATOM 12 C GLY X 2 28.474 -17.202 23.498 1.00 0.00 C ATOM 13 O GLY X 2 29.510 -17.221 22.836 1.00 0.00 O ATOM 0 H GLY X 2 30.338 -18.093 25.743 1.00 0.00 H new ATOM 0 HA2 GLY X 2 28.115 -18.329 25.298 1.00 0.00 H new ATOM 0 HA3 GLY X 2 27.870 -16.603 25.477 1.00 0.00 H new ATOM 17 N PRO X 3 27.302 -17.050 22.945 1.00 0.00 N ATOM 18 CA PRO X 3 27.119 -16.888 21.473 1.00 0.00 C ATOM 19 C PRO X 3 27.516 -15.492 20.997 1.00 0.00 C ATOM 20 O PRO X 3 26.667 -14.698 20.588 1.00 0.00 O ATOM 21 CB PRO X 3 25.621 -17.131 21.273 1.00 0.00 C ATOM 22 CG PRO X 3 24.982 -16.756 22.570 1.00 0.00 C ATOM 23 CD PRO X 3 26.017 -17.021 23.664 1.00 0.00 C ATOM 0 HA PRO X 3 27.747 -17.570 20.899 1.00 0.00 H new ATOM 0 HB2 PRO X 3 25.231 -16.527 20.454 1.00 0.00 H new ATOM 0 HB3 PRO X 3 25.422 -18.173 21.024 1.00 0.00 H new ATOM 0 HG2 PRO X 3 24.684 -15.708 22.565 1.00 0.00 H new ATOM 0 HG3 PRO X 3 24.080 -17.343 22.741 1.00 0.00 H new ATOM 0 HD2 PRO X 3 26.003 -16.239 24.423 1.00 0.00 H new ATOM 0 HD3 PRO X 3 25.825 -17.965 24.174 1.00 0.00 H new ATOM 31 N GLU X 4 28.812 -15.198 21.052 1.00 0.00 N ATOM 32 CA GLU X 4 29.309 -13.900 20.626 1.00 0.00 C ATOM 33 C GLU X 4 30.479 -14.069 19.664 1.00 0.00 C ATOM 34 O GLU X 4 31.518 -14.628 20.020 1.00 0.00 O ATOM 35 CB GLU X 4 29.760 -13.089 21.843 1.00 0.00 C ATOM 36 CG GLU X 4 28.543 -12.732 22.699 1.00 0.00 C ATOM 37 CD GLU X 4 28.987 -11.981 23.949 1.00 0.00 C ATOM 38 OE1 GLU X 4 30.182 -11.930 24.193 1.00 0.00 O ATOM 39 OE2 GLU X 4 28.126 -11.465 24.645 1.00 0.00 O ATOM 0 H GLU X 4 29.531 -15.839 21.386 1.00 0.00 H new ATOM 0 HA GLU X 4 28.504 -13.371 20.116 1.00 0.00 H new ATOM 0 HB2 GLU X 4 30.475 -13.664 22.431 1.00 0.00 H new ATOM 0 HB3 GLU X 4 30.269 -12.181 21.520 1.00 0.00 H new ATOM 0 HG2 GLU X 4 27.850 -12.118 22.123 1.00 0.00 H new ATOM 0 HG3 GLU X 4 28.007 -13.639 22.980 1.00 0.00 H new ATOM 46 N THR X 5 30.303 -13.579 18.445 1.00 0.00 N ATOM 47 CA THR X 5 31.349 -13.672 17.430 1.00 0.00 C ATOM 48 C THR X 5 31.576 -12.316 16.768 1.00 0.00 C ATOM 49 O THR X 5 30.739 -11.418 16.861 1.00 0.00 O ATOM 50 CB THR X 5 30.965 -14.706 16.370 1.00 0.00 C ATOM 51 OG1 THR X 5 29.793 -14.274 15.692 1.00 0.00 O ATOM 52 CG2 THR X 5 30.699 -16.052 17.043 1.00 0.00 C ATOM 0 H THR X 5 29.450 -13.114 18.133 1.00 0.00 H new ATOM 0 HA THR X 5 32.273 -13.984 17.917 1.00 0.00 H new ATOM 0 HB THR X 5 31.780 -14.814 15.655 1.00 0.00 H new ATOM 0 HG1 THR X 5 29.547 -14.935 15.011 1.00 0.00 H new ATOM 0 HG21 THR X 5 30.425 -16.789 16.288 1.00 0.00 H new ATOM 0 HG22 THR X 5 31.598 -16.383 17.563 1.00 0.00 H new ATOM 0 HG23 THR X 5 29.884 -15.946 17.759 1.00 0.00 H new ATOM 60 N LEU X 6 32.718 -12.175 16.103 1.00 0.00 N ATOM 61 CA LEU X 6 33.057 -10.927 15.429 1.00 0.00 C ATOM 62 C LEU X 6 33.429 -11.194 13.977 1.00 0.00 C ATOM 63 O LEU X 6 33.470 -12.348 13.547 1.00 0.00 O ATOM 64 CB LEU X 6 34.219 -10.243 16.145 1.00 0.00 C ATOM 65 CG LEU X 6 33.824 -9.955 17.595 1.00 0.00 C ATOM 66 CD1 LEU X 6 35.030 -9.392 18.349 1.00 0.00 C ATOM 67 CD2 LEU X 6 32.684 -8.927 17.625 1.00 0.00 C ATOM 0 H LEU X 6 33.423 -12.907 16.016 1.00 0.00 H new ATOM 0 HA LEU X 6 32.187 -10.271 15.454 1.00 0.00 H new ATOM 0 HB2 LEU X 6 35.103 -10.880 16.117 1.00 0.00 H new ATOM 0 HB3 LEU X 6 34.478 -9.315 15.636 1.00 0.00 H new ATOM 0 HG LEU X 6 33.493 -10.879 18.069 1.00 0.00 H new ATOM 0 HD11 LEU X 6 34.750 -9.186 19.382 1.00 0.00 H new ATOM 0 HD12 LEU X 6 35.842 -10.119 18.331 1.00 0.00 H new ATOM 0 HD13 LEU X 6 35.359 -8.469 17.872 1.00 0.00 H new ATOM 0 HD21 LEU X 6 32.405 -8.724 18.659 1.00 0.00 H new ATOM 0 HD22 LEU X 6 33.014 -8.003 17.150 1.00 0.00 H new ATOM 0 HD23 LEU X 6 31.822 -9.323 17.088 1.00 0.00 H new ATOM 79 N CYS X 7 33.694 -10.117 13.231 1.00 0.00 N ATOM 80 CA CYS X 7 34.062 -10.225 11.825 1.00 0.00 C ATOM 81 C CYS X 7 32.857 -10.633 10.979 1.00 0.00 C ATOM 82 O CYS X 7 31.836 -11.091 11.500 1.00 0.00 O ATOM 83 CB CYS X 7 35.179 -11.253 11.666 1.00 0.00 C ATOM 84 SG CYS X 7 36.277 -10.770 10.310 1.00 0.00 S ATOM 0 H CYS X 7 33.659 -9.160 13.583 1.00 0.00 H new ATOM 0 HA CYS X 7 34.410 -9.251 11.480 1.00 0.00 H new ATOM 0 HB2 CYS X 7 35.746 -11.332 12.593 1.00 0.00 H new ATOM 0 HB3 CYS X 7 34.754 -12.237 11.468 1.00 0.00 H new ATOM 89 N GLY X 8 32.980 -10.463 9.668 1.00 0.00 N ATOM 90 CA GLY X 8 31.898 -10.815 8.760 1.00 0.00 C ATOM 91 C GLY X 8 30.632 -10.023 9.078 1.00 0.00 C ATOM 92 O GLY X 8 30.664 -8.792 9.201 1.00 0.00 O ATOM 0 H GLY X 8 33.812 -10.086 9.214 1.00 0.00 H new ATOM 0 HA2 GLY X 8 32.204 -10.620 7.732 1.00 0.00 H new ATOM 0 HA3 GLY X 8 31.691 -11.883 8.833 1.00 0.00 H new ATOM 96 N ALA X 9 29.520 -10.735 9.210 1.00 0.00 N ATOM 97 CA ALA X 9 28.244 -10.101 9.511 1.00 0.00 C ATOM 98 C ALA X 9 28.327 -9.346 10.831 1.00 0.00 C ATOM 99 O ALA X 9 27.728 -8.281 10.984 1.00 0.00 O ATOM 100 CB ALA X 9 27.135 -11.152 9.590 1.00 0.00 C ATOM 0 H ALA X 9 29.476 -11.749 9.114 1.00 0.00 H new ATOM 0 HA ALA X 9 28.013 -9.397 8.711 1.00 0.00 H new ATOM 0 HB1 ALA X 9 26.187 -10.664 9.816 1.00 0.00 H new ATOM 0 HB2 ALA X 9 27.058 -11.672 8.635 1.00 0.00 H new ATOM 0 HB3 ALA X 9 27.370 -11.870 10.376 1.00 0.00 H new ATOM 106 N GLU X 10 29.074 -9.901 11.778 1.00 0.00 N ATOM 107 CA GLU X 10 29.228 -9.273 13.081 1.00 0.00 C ATOM 108 C GLU X 10 29.899 -7.916 12.932 1.00 0.00 C ATOM 109 O GLU X 10 29.579 -6.976 13.650 1.00 0.00 O ATOM 110 CB GLU X 10 30.063 -10.163 13.999 1.00 0.00 C ATOM 111 CG GLU X 10 29.287 -11.445 14.310 1.00 0.00 C ATOM 112 CD GLU X 10 28.096 -11.129 15.206 1.00 0.00 C ATOM 113 OE1 GLU X 10 28.125 -10.097 15.856 1.00 0.00 O ATOM 114 OE2 GLU X 10 27.170 -11.923 15.229 1.00 0.00 O ATOM 0 H GLU X 10 29.579 -10.780 11.668 1.00 0.00 H new ATOM 0 HA GLU X 10 28.240 -9.136 13.521 1.00 0.00 H new ATOM 0 HB2 GLU X 10 31.012 -10.406 13.522 1.00 0.00 H new ATOM 0 HB3 GLU X 10 30.297 -9.633 14.923 1.00 0.00 H new ATOM 0 HG2 GLU X 10 28.944 -11.906 13.384 1.00 0.00 H new ATOM 0 HG3 GLU X 10 29.941 -12.166 14.801 1.00 0.00 H new ATOM 121 N LEU X 11 30.843 -7.821 12.002 1.00 0.00 N ATOM 122 CA LEU X 11 31.548 -6.568 11.786 1.00 0.00 C ATOM 123 C LEU X 11 30.590 -5.495 11.284 1.00 0.00 C ATOM 124 O LEU X 11 30.548 -4.389 11.824 1.00 0.00 O ATOM 125 CB LEU X 11 32.672 -6.774 10.759 1.00 0.00 C ATOM 126 CG LEU X 11 33.861 -5.857 11.078 1.00 0.00 C ATOM 127 CD1 LEU X 11 33.375 -4.414 11.223 1.00 0.00 C ATOM 128 CD2 LEU X 11 34.532 -6.307 12.383 1.00 0.00 C ATOM 0 H LEU X 11 31.133 -8.587 11.394 1.00 0.00 H new ATOM 0 HA LEU X 11 31.975 -6.242 12.735 1.00 0.00 H new ATOM 0 HB2 LEU X 11 32.995 -7.815 10.767 1.00 0.00 H new ATOM 0 HB3 LEU X 11 32.300 -6.563 9.756 1.00 0.00 H new ATOM 0 HG LEU X 11 34.584 -5.915 10.264 1.00 0.00 H new ATOM 0 HD11 LEU X 11 34.222 -3.766 11.449 1.00 0.00 H new ATOM 0 HD12 LEU X 11 32.910 -4.091 10.291 1.00 0.00 H new ATOM 0 HD13 LEU X 11 32.646 -4.355 12.032 1.00 0.00 H new ATOM 0 HD21 LEU X 11 35.375 -5.652 12.603 1.00 0.00 H new ATOM 0 HD22 LEU X 11 33.811 -6.257 13.199 1.00 0.00 H new ATOM 0 HD23 LEU X 11 34.887 -7.332 12.275 1.00 0.00 H new ATOM 140 N VAL X 12 29.827 -5.827 10.256 1.00 0.00 N ATOM 141 CA VAL X 12 28.877 -4.873 9.698 1.00 0.00 C ATOM 142 C VAL X 12 27.823 -4.483 10.727 1.00 0.00 C ATOM 143 O VAL X 12 27.495 -3.305 10.889 1.00 0.00 O ATOM 144 CB VAL X 12 28.200 -5.474 8.468 1.00 0.00 C ATOM 145 CG1 VAL X 12 26.956 -4.655 8.114 1.00 0.00 C ATOM 146 CG2 VAL X 12 29.177 -5.422 7.289 1.00 0.00 C ATOM 0 H VAL X 12 29.844 -6.736 9.794 1.00 0.00 H new ATOM 0 HA VAL X 12 29.425 -3.975 9.411 1.00 0.00 H new ATOM 0 HB VAL X 12 27.913 -6.504 8.677 1.00 0.00 H new ATOM 0 HG11 VAL X 12 26.475 -5.086 7.236 1.00 0.00 H new ATOM 0 HG12 VAL X 12 26.260 -4.669 8.953 1.00 0.00 H new ATOM 0 HG13 VAL X 12 27.246 -3.626 7.901 1.00 0.00 H new ATOM 0 HG21 VAL X 12 28.703 -5.849 6.405 1.00 0.00 H new ATOM 0 HG22 VAL X 12 29.451 -4.386 7.089 1.00 0.00 H new ATOM 0 HG23 VAL X 12 30.072 -5.994 7.533 1.00 0.00 H new ATOM 156 N ASP X 13 27.290 -5.484 11.417 1.00 0.00 N ATOM 157 CA ASP X 13 26.267 -5.247 12.423 1.00 0.00 C ATOM 158 C ASP X 13 26.823 -4.434 13.588 1.00 0.00 C ATOM 159 O ASP X 13 26.166 -3.524 14.089 1.00 0.00 O ATOM 160 CB ASP X 13 25.727 -6.579 12.943 1.00 0.00 C ATOM 161 CG ASP X 13 24.511 -6.339 13.833 1.00 0.00 C ATOM 162 OD1 ASP X 13 24.255 -5.190 14.156 1.00 0.00 O ATOM 163 OD2 ASP X 13 23.854 -7.306 14.177 1.00 0.00 O ATOM 0 H ASP X 13 27.549 -6.463 11.298 1.00 0.00 H new ATOM 0 HA ASP X 13 25.460 -4.681 11.958 1.00 0.00 H new ATOM 0 HB2 ASP X 13 25.454 -7.221 12.106 1.00 0.00 H new ATOM 0 HB3 ASP X 13 26.502 -7.100 13.505 1.00 0.00 H new ATOM 168 N ALA X 14 28.033 -4.774 14.021 1.00 0.00 N ATOM 169 CA ALA X 14 28.656 -4.074 15.132 1.00 0.00 C ATOM 170 C ALA X 14 28.845 -2.598 14.811 1.00 0.00 C ATOM 171 O ALA X 14 28.583 -1.738 15.650 1.00 0.00 O ATOM 172 CB ALA X 14 30.015 -4.701 15.443 1.00 0.00 C ATOM 0 H ALA X 14 28.596 -5.525 13.621 1.00 0.00 H new ATOM 0 HA ALA X 14 28.000 -4.161 15.998 1.00 0.00 H new ATOM 0 HB1 ALA X 14 30.477 -4.172 16.277 1.00 0.00 H new ATOM 0 HB2 ALA X 14 29.880 -5.749 15.709 1.00 0.00 H new ATOM 0 HB3 ALA X 14 30.658 -4.629 14.566 1.00 0.00 H new ATOM 178 N LEU X 15 29.296 -2.309 13.593 1.00 0.00 N ATOM 179 CA LEU X 15 29.507 -0.929 13.181 1.00 0.00 C ATOM 180 C LEU X 15 28.192 -0.162 13.180 1.00 0.00 C ATOM 181 O LEU X 15 28.132 0.981 13.631 1.00 0.00 O ATOM 182 CB LEU X 15 30.124 -0.898 11.780 1.00 0.00 C ATOM 183 CG LEU X 15 31.574 -1.379 11.846 1.00 0.00 C ATOM 184 CD1 LEU X 15 32.086 -1.660 10.433 1.00 0.00 C ATOM 185 CD2 LEU X 15 32.440 -0.288 12.483 1.00 0.00 C ATOM 0 H LEU X 15 29.520 -3.006 12.882 1.00 0.00 H new ATOM 0 HA LEU X 15 30.186 -0.454 13.890 1.00 0.00 H new ATOM 0 HB2 LEU X 15 29.550 -1.533 11.105 1.00 0.00 H new ATOM 0 HB3 LEU X 15 30.084 0.114 11.377 1.00 0.00 H new ATOM 0 HG LEU X 15 31.626 -2.290 12.442 1.00 0.00 H new ATOM 0 HD11 LEU X 15 33.120 -2.003 10.482 1.00 0.00 H new ATOM 0 HD12 LEU X 15 31.470 -2.430 9.969 1.00 0.00 H new ATOM 0 HD13 LEU X 15 32.034 -0.748 9.839 1.00 0.00 H new ATOM 0 HD21 LEU X 15 33.475 -0.627 12.532 1.00 0.00 H new ATOM 0 HD22 LEU X 15 32.383 0.619 11.881 1.00 0.00 H new ATOM 0 HD23 LEU X 15 32.079 -0.078 13.490 1.00 0.00 H new ATOM 197 N GLN X 16 27.139 -0.801 12.677 1.00 0.00 N ATOM 198 CA GLN X 16 25.824 -0.171 12.632 1.00 0.00 C ATOM 199 C GLN X 16 25.295 0.058 14.039 1.00 0.00 C ATOM 200 O GLN X 16 24.721 1.101 14.329 1.00 0.00 O ATOM 201 CB GLN X 16 24.849 -1.048 11.851 1.00 0.00 C ATOM 202 CG GLN X 16 23.509 -0.324 11.721 1.00 0.00 C ATOM 203 CD GLN X 16 22.558 -1.144 10.857 1.00 0.00 C ATOM 204 OE1 GLN X 16 22.955 -2.164 10.295 1.00 0.00 O ATOM 205 NE2 GLN X 16 21.319 -0.759 10.718 1.00 0.00 N ATOM 0 H GLN X 16 27.170 -1.747 12.298 1.00 0.00 H new ATOM 0 HA GLN X 16 25.920 0.793 12.132 1.00 0.00 H new ATOM 0 HB2 GLN X 16 25.253 -1.270 10.863 1.00 0.00 H new ATOM 0 HB3 GLN X 16 24.712 -2.002 12.361 1.00 0.00 H new ATOM 0 HG2 GLN X 16 23.074 -0.167 12.708 1.00 0.00 H new ATOM 0 HG3 GLN X 16 23.659 0.661 11.278 1.00 0.00 H new ATOM 0 HE21 GLN X 16 20.992 0.087 11.185 1.00 0.00 H new ATOM 0 HE22 GLN X 16 20.677 -1.304 10.142 1.00 0.00 H new ATOM 214 N PHE X 17 25.490 -0.923 14.910 1.00 0.00 N ATOM 215 CA PHE X 17 25.035 -0.807 16.292 1.00 0.00 C ATOM 216 C PHE X 17 25.751 0.325 17.019 1.00 0.00 C ATOM 217 O PHE X 17 25.117 1.169 17.652 1.00 0.00 O ATOM 218 CB PHE X 17 25.294 -2.120 17.030 1.00 0.00 C ATOM 219 CG PHE X 17 25.138 -1.902 18.516 1.00 0.00 C ATOM 220 CD1 PHE X 17 23.872 -1.955 19.114 1.00 0.00 C ATOM 221 CD2 PHE X 17 26.272 -1.642 19.301 1.00 0.00 C ATOM 222 CE1 PHE X 17 23.737 -1.746 20.492 1.00 0.00 C ATOM 223 CE2 PHE X 17 26.137 -1.434 20.679 1.00 0.00 C ATOM 224 CZ PHE X 17 24.871 -1.490 21.275 1.00 0.00 C ATOM 0 H PHE X 17 25.957 -1.803 14.688 1.00 0.00 H new ATOM 0 HA PHE X 17 23.967 -0.587 16.277 1.00 0.00 H new ATOM 0 HB2 PHE X 17 24.597 -2.885 16.689 1.00 0.00 H new ATOM 0 HB3 PHE X 17 26.298 -2.482 16.808 1.00 0.00 H new ATOM 0 HD1 PHE X 17 22.999 -2.157 18.511 1.00 0.00 H new ATOM 0 HD2 PHE X 17 27.249 -1.602 18.842 1.00 0.00 H new ATOM 0 HE1 PHE X 17 22.760 -1.782 20.951 1.00 0.00 H new ATOM 0 HE2 PHE X 17 27.009 -1.230 21.282 1.00 0.00 H new ATOM 0 HZ PHE X 17 24.768 -1.336 22.339 1.00 0.00 H new ATOM 234 N VAL X 18 27.076 0.323 16.940 1.00 0.00 N ATOM 235 CA VAL X 18 27.868 1.345 17.612 1.00 0.00 C ATOM 236 C VAL X 18 27.600 2.728 17.029 1.00 0.00 C ATOM 237 O VAL X 18 27.344 3.683 17.763 1.00 0.00 O ATOM 238 CB VAL X 18 29.358 1.016 17.474 1.00 0.00 C ATOM 239 CG1 VAL X 18 30.189 2.173 18.030 1.00 0.00 C ATOM 240 CG2 VAL X 18 29.677 -0.260 18.253 1.00 0.00 C ATOM 0 H VAL X 18 27.620 -0.367 16.423 1.00 0.00 H new ATOM 0 HA VAL X 18 27.583 1.355 18.664 1.00 0.00 H new ATOM 0 HB VAL X 18 29.599 0.867 16.421 1.00 0.00 H new ATOM 0 HG11 VAL X 18 31.249 1.939 17.932 1.00 0.00 H new ATOM 0 HG12 VAL X 18 29.965 3.083 17.473 1.00 0.00 H new ATOM 0 HG13 VAL X 18 29.946 2.323 19.082 1.00 0.00 H new ATOM 0 HG21 VAL X 18 30.737 -0.492 18.153 1.00 0.00 H new ATOM 0 HG22 VAL X 18 29.435 -0.114 19.306 1.00 0.00 H new ATOM 0 HG23 VAL X 18 29.086 -1.086 17.856 1.00 0.00 H new ATOM 250 N CYS X 19 27.663 2.830 15.709 1.00 0.00 N ATOM 251 CA CYS X 19 27.436 4.100 15.039 1.00 0.00 C ATOM 252 C CYS X 19 25.981 4.535 15.199 1.00 0.00 C ATOM 253 O CYS X 19 25.691 5.715 15.399 1.00 0.00 O ATOM 254 CB CYS X 19 27.767 3.968 13.548 1.00 0.00 C ATOM 255 SG CYS X 19 29.535 3.639 13.316 1.00 0.00 S ATOM 0 H CYS X 19 27.869 2.051 15.084 1.00 0.00 H new ATOM 0 HA CYS X 19 28.083 4.851 15.492 1.00 0.00 H new ATOM 0 HB2 CYS X 19 27.180 3.161 13.109 1.00 0.00 H new ATOM 0 HB3 CYS X 19 27.490 4.884 13.026 1.00 0.00 H new ATOM 260 N GLY X 20 25.073 3.576 15.112 1.00 0.00 N ATOM 261 CA GLY X 20 23.649 3.866 15.246 1.00 0.00 C ATOM 262 C GLY X 20 23.186 4.825 14.158 1.00 0.00 C ATOM 263 O GLY X 20 23.408 4.587 12.971 1.00 0.00 O ATOM 0 H GLY X 20 25.292 2.593 14.950 1.00 0.00 H new ATOM 0 HA2 GLY X 20 23.078 2.940 15.187 1.00 0.00 H new ATOM 0 HA3 GLY X 20 23.453 4.300 16.227 1.00 0.00 H new ATOM 267 N ASP X 21 22.550 5.913 14.573 1.00 0.00 N ATOM 268 CA ASP X 21 22.051 6.907 13.629 1.00 0.00 C ATOM 269 C ASP X 21 23.193 7.458 12.784 1.00 0.00 C ATOM 270 O ASP X 21 23.014 7.769 11.607 1.00 0.00 O ATOM 271 CB ASP X 21 21.368 8.051 14.380 1.00 0.00 C ATOM 272 CG ASP X 21 20.040 7.577 14.959 1.00 0.00 C ATOM 273 OD1 ASP X 21 19.603 6.502 14.582 1.00 0.00 O ATOM 274 OD2 ASP X 21 19.479 8.296 15.769 1.00 0.00 O ATOM 0 H ASP X 21 22.368 6.130 15.553 1.00 0.00 H new ATOM 0 HA ASP X 21 21.326 6.426 12.973 1.00 0.00 H new ATOM 0 HB2 ASP X 21 22.016 8.409 15.180 1.00 0.00 H new ATOM 0 HB3 ASP X 21 21.201 8.891 13.705 1.00 0.00 H new ATOM 279 N ARG X 22 24.366 7.584 13.393 1.00 0.00 N ATOM 280 CA ARG X 22 25.526 8.104 12.683 1.00 0.00 C ATOM 281 C ARG X 22 25.873 7.210 11.495 1.00 0.00 C ATOM 282 O ARG X 22 26.241 7.699 10.427 1.00 0.00 O ATOM 283 CB ARG X 22 26.729 8.174 13.628 1.00 0.00 C ATOM 284 CG ARG X 22 26.500 9.273 14.664 1.00 0.00 C ATOM 285 CD ARG X 22 27.796 9.530 15.435 1.00 0.00 C ATOM 286 NE ARG X 22 28.158 8.349 16.210 1.00 0.00 N ATOM 287 CZ ARG X 22 27.633 8.115 17.415 1.00 0.00 C ATOM 288 NH1 ARG X 22 26.758 8.940 17.938 1.00 0.00 N ATOM 289 NH2 ARG X 22 27.986 7.050 18.078 1.00 0.00 N ATOM 0 H ARG X 22 24.538 7.336 14.367 1.00 0.00 H new ATOM 0 HA ARG X 22 25.285 9.103 12.319 1.00 0.00 H new ATOM 0 HB2 ARG X 22 26.870 7.214 14.125 1.00 0.00 H new ATOM 0 HB3 ARG X 22 27.638 8.377 13.062 1.00 0.00 H new ATOM 0 HG2 ARG X 22 26.170 10.188 14.172 1.00 0.00 H new ATOM 0 HG3 ARG X 22 25.708 8.978 15.352 1.00 0.00 H new ATOM 0 HD2 ARG X 22 28.598 9.779 14.741 1.00 0.00 H new ATOM 0 HD3 ARG X 22 27.671 10.386 16.098 1.00 0.00 H new ATOM 0 HE ARG X 22 28.829 7.686 15.822 1.00 0.00 H new ATOM 0 HH11 ARG X 22 26.471 9.772 17.423 1.00 0.00 H new ATOM 0 HH12 ARG X 22 26.365 8.749 18.860 1.00 0.00 H new ATOM 0 HH21 ARG X 22 28.661 6.399 17.676 1.00 0.00 H new ATOM 0 HH22 ARG X 22 27.588 6.867 18.999 1.00 0.00 H new ATOM 303 N GLY X 23 25.753 5.900 11.685 1.00 0.00 N ATOM 304 CA GLY X 23 26.056 4.954 10.617 1.00 0.00 C ATOM 305 C GLY X 23 27.552 4.933 10.316 1.00 0.00 C ATOM 306 O GLY X 23 28.344 5.571 11.009 1.00 0.00 O ATOM 0 H GLY X 23 25.451 5.472 12.560 1.00 0.00 H new ATOM 0 HA2 GLY X 23 25.725 3.956 10.905 1.00 0.00 H new ATOM 0 HA3 GLY X 23 25.504 5.226 9.717 1.00 0.00 H new ATOM 310 N PHE X 24 27.931 4.203 9.272 1.00 0.00 N ATOM 311 CA PHE X 24 29.334 4.114 8.884 1.00 0.00 C ATOM 312 C PHE X 24 29.461 3.839 7.391 1.00 0.00 C ATOM 313 O PHE X 24 28.523 3.354 6.757 1.00 0.00 O ATOM 314 CB PHE X 24 30.022 3.000 9.676 1.00 0.00 C ATOM 315 CG PHE X 24 29.411 1.670 9.315 1.00 0.00 C ATOM 316 CD1 PHE X 24 30.010 0.865 8.341 1.00 0.00 C ATOM 317 CD2 PHE X 24 28.241 1.241 9.953 1.00 0.00 C ATOM 318 CE1 PHE X 24 29.441 -0.364 8.002 1.00 0.00 C ATOM 319 CE2 PHE X 24 27.672 0.010 9.614 1.00 0.00 C ATOM 320 CZ PHE X 24 28.273 -0.794 8.640 1.00 0.00 C ATOM 0 H PHE X 24 27.292 3.668 8.684 1.00 0.00 H new ATOM 0 HA PHE X 24 29.816 5.066 9.105 1.00 0.00 H new ATOM 0 HB2 PHE X 24 31.090 2.992 9.458 1.00 0.00 H new ATOM 0 HB3 PHE X 24 29.916 3.182 10.745 1.00 0.00 H new ATOM 0 HD1 PHE X 24 30.914 1.194 7.850 1.00 0.00 H new ATOM 0 HD2 PHE X 24 27.778 1.861 10.707 1.00 0.00 H new ATOM 0 HE1 PHE X 24 29.903 -0.983 7.247 1.00 0.00 H new ATOM 0 HE2 PHE X 24 26.768 -0.320 10.104 1.00 0.00 H new ATOM 0 HZ PHE X 24 27.835 -1.747 8.381 1.00 0.00 H new ATOM 330 N TYR X 25 30.626 4.148 6.835 1.00 0.00 N ATOM 331 CA TYR X 25 30.867 3.926 5.414 1.00 0.00 C ATOM 332 C TYR X 25 32.149 3.125 5.202 1.00 0.00 C ATOM 333 O TYR X 25 32.322 2.477 4.171 1.00 0.00 O ATOM 334 CB TYR X 25 30.977 5.268 4.689 1.00 0.00 C ATOM 335 CG TYR X 25 32.149 6.042 5.242 1.00 0.00 C ATOM 336 CD1 TYR X 25 33.417 5.901 4.666 1.00 0.00 C ATOM 337 CD2 TYR X 25 31.968 6.902 6.333 1.00 0.00 C ATOM 338 CE1 TYR X 25 34.504 6.619 5.179 1.00 0.00 C ATOM 339 CE2 TYR X 25 33.055 7.620 6.846 1.00 0.00 C ATOM 340 CZ TYR X 25 34.323 7.479 6.268 1.00 0.00 C ATOM 341 OH TYR X 25 35.394 8.188 6.774 1.00 0.00 O ATOM 0 H TYR X 25 31.414 4.550 7.342 1.00 0.00 H new ATOM 0 HA TYR X 25 30.029 3.359 5.008 1.00 0.00 H new ATOM 0 HB2 TYR X 25 31.106 5.106 3.619 1.00 0.00 H new ATOM 0 HB3 TYR X 25 30.057 5.839 4.816 1.00 0.00 H new ATOM 0 HD1 TYR X 25 33.557 5.238 3.825 1.00 0.00 H new ATOM 0 HD2 TYR X 25 30.990 7.011 6.778 1.00 0.00 H new ATOM 0 HE1 TYR X 25 35.482 6.509 4.734 1.00 0.00 H new ATOM 0 HE2 TYR X 25 32.916 8.283 7.687 1.00 0.00 H new ATOM 0 HH TYR X 25 35.095 8.738 7.528 1.00 0.00 H new ATOM 351 N PHE X 26 33.043 3.169 6.184 1.00 0.00 N ATOM 352 CA PHE X 26 34.302 2.442 6.093 1.00 0.00 C ATOM 353 C PHE X 26 34.048 0.943 5.980 1.00 0.00 C ATOM 354 O PHE X 26 33.149 0.406 6.626 1.00 0.00 O ATOM 355 CB PHE X 26 35.159 2.729 7.326 1.00 0.00 C ATOM 356 CG PHE X 26 36.449 1.951 7.234 1.00 0.00 C ATOM 357 CD1 PHE X 26 37.473 2.392 6.387 1.00 0.00 C ATOM 358 CD2 PHE X 26 36.623 0.790 7.994 1.00 0.00 C ATOM 359 CE1 PHE X 26 38.671 1.671 6.301 1.00 0.00 C ATOM 360 CE2 PHE X 26 37.819 0.069 7.908 1.00 0.00 C ATOM 361 CZ PHE X 26 38.844 0.509 7.062 1.00 0.00 C ATOM 0 H PHE X 26 32.920 3.698 7.047 1.00 0.00 H new ATOM 0 HA PHE X 26 34.831 2.775 5.200 1.00 0.00 H new ATOM 0 HB2 PHE X 26 35.370 3.796 7.395 1.00 0.00 H new ATOM 0 HB3 PHE X 26 34.618 2.451 8.231 1.00 0.00 H new ATOM 0 HD1 PHE X 26 37.339 3.288 5.800 1.00 0.00 H new ATOM 0 HD2 PHE X 26 35.834 0.450 8.648 1.00 0.00 H new ATOM 0 HE1 PHE X 26 39.461 2.012 5.648 1.00 0.00 H new ATOM 0 HE2 PHE X 26 37.952 -0.828 8.495 1.00 0.00 H new ATOM 0 HZ PHE X 26 39.767 -0.048 6.997 1.00 0.00 H new ATOM 371 N ASN X 27 34.846 0.271 5.154 1.00 0.00 N ATOM 372 CA ASN X 27 34.695 -1.168 4.965 1.00 0.00 C ATOM 373 C ASN X 27 33.323 -1.496 4.392 1.00 0.00 C ATOM 374 O ASN X 27 32.529 -2.204 5.015 1.00 0.00 O ATOM 375 CB ASN X 27 34.876 -1.892 6.301 1.00 0.00 C ATOM 376 CG ASN X 27 35.130 -3.375 6.057 1.00 0.00 C ATOM 377 OD1 ASN X 27 35.794 -3.739 5.087 1.00 0.00 O ATOM 378 ND2 ASN X 27 34.641 -4.257 6.884 1.00 0.00 N ATOM 0 H ASN X 27 35.597 0.695 4.610 1.00 0.00 H new ATOM 0 HA ASN X 27 35.458 -1.502 4.262 1.00 0.00 H new ATOM 0 HB2 ASN X 27 35.711 -1.457 6.850 1.00 0.00 H new ATOM 0 HB3 ASN X 27 33.987 -1.763 6.918 1.00 0.00 H new ATOM 0 HD21 ASN X 27 34.809 -5.251 6.727 1.00 0.00 H new ATOM 0 HD22 ASN X 27 34.091 -3.953 7.687 1.00 0.00 H new ATOM 385 N LYS X 28 33.046 -0.969 3.204 1.00 0.00 N ATOM 386 CA LYS X 28 31.763 -1.203 2.559 1.00 0.00 C ATOM 387 C LYS X 28 31.602 -2.682 2.205 1.00 0.00 C ATOM 388 O LYS X 28 32.589 -3.391 2.010 1.00 0.00 O ATOM 389 CB LYS X 28 31.648 -0.367 1.283 1.00 0.00 C ATOM 390 CG LYS X 28 31.572 1.113 1.650 1.00 0.00 C ATOM 391 CD LYS X 28 31.442 1.953 0.379 1.00 0.00 C ATOM 392 CE LYS X 28 31.367 3.434 0.753 1.00 0.00 C ATOM 393 NZ LYS X 28 31.237 4.253 -0.486 1.00 0.00 N ATOM 0 H LYS X 28 33.689 -0.381 2.673 1.00 0.00 H new ATOM 0 HA LYS X 28 30.977 -0.912 3.256 1.00 0.00 H new ATOM 0 HB2 LYS X 28 32.507 -0.549 0.637 1.00 0.00 H new ATOM 0 HB3 LYS X 28 30.760 -0.660 0.722 1.00 0.00 H new ATOM 0 HG2 LYS X 28 30.719 1.292 2.305 1.00 0.00 H new ATOM 0 HG3 LYS X 28 32.465 1.407 2.202 1.00 0.00 H new ATOM 0 HD2 LYS X 28 32.295 1.775 -0.276 1.00 0.00 H new ATOM 0 HD3 LYS X 28 30.549 1.661 -0.173 1.00 0.00 H new ATOM 0 HE2 LYS X 28 30.516 3.612 1.410 1.00 0.00 H new ATOM 0 HE3 LYS X 28 32.261 3.727 1.303 1.00 0.00 H new ATOM 0 HZ1 LYS X 28 31.186 5.260 -0.233 1.00 0.00 H new ATOM 0 HZ2 LYS X 28 32.063 4.091 -1.097 1.00 0.00 H new ATOM 0 HZ3 LYS X 28 30.372 3.980 -0.994 1.00 0.00 H new ATOM 407 N PRO X 29 30.384 -3.156 2.122 1.00 0.00 N ATOM 408 CA PRO X 29 30.095 -4.580 1.788 1.00 0.00 C ATOM 409 C PRO X 29 30.296 -4.879 0.303 1.00 0.00 C ATOM 410 O PRO X 29 29.360 -5.267 -0.399 1.00 0.00 O ATOM 411 CB PRO X 29 28.628 -4.749 2.193 1.00 0.00 C ATOM 412 CG PRO X 29 28.025 -3.387 2.084 1.00 0.00 C ATOM 413 CD PRO X 29 29.149 -2.386 2.331 1.00 0.00 C ATOM 0 HA PRO X 29 30.766 -5.269 2.301 1.00 0.00 H new ATOM 0 HB2 PRO X 29 28.119 -5.457 1.539 1.00 0.00 H new ATOM 0 HB3 PRO X 29 28.543 -5.136 3.209 1.00 0.00 H new ATOM 0 HG2 PRO X 29 27.584 -3.237 1.099 1.00 0.00 H new ATOM 0 HG3 PRO X 29 27.226 -3.259 2.814 1.00 0.00 H new ATOM 0 HD2 PRO X 29 29.087 -1.542 1.644 1.00 0.00 H new ATOM 0 HD3 PRO X 29 29.102 -1.978 3.341 1.00 0.00 H new ATOM 421 N THR X 30 31.523 -4.700 -0.167 1.00 0.00 N ATOM 422 CA THR X 30 31.838 -4.962 -1.566 1.00 0.00 C ATOM 423 C THR X 30 32.311 -6.406 -1.750 1.00 0.00 C ATOM 424 O THR X 30 32.403 -6.893 -2.875 1.00 0.00 O ATOM 425 CB THR X 30 32.929 -4.003 -2.044 1.00 0.00 C ATOM 426 OG1 THR X 30 34.112 -4.220 -1.289 1.00 0.00 O ATOM 427 CG2 THR X 30 32.458 -2.560 -1.855 1.00 0.00 C ATOM 0 H THR X 30 32.311 -4.377 0.394 1.00 0.00 H new ATOM 0 HA THR X 30 30.935 -4.809 -2.156 1.00 0.00 H new ATOM 0 HB THR X 30 33.134 -4.181 -3.100 1.00 0.00 H new ATOM 0 HG1 THR X 30 34.813 -3.607 -1.595 1.00 0.00 H new ATOM 0 HG21 THR X 30 33.235 -1.876 -2.196 1.00 0.00 H new ATOM 0 HG22 THR X 30 31.550 -2.395 -2.435 1.00 0.00 H new ATOM 0 HG23 THR X 30 32.253 -2.380 -0.800 1.00 0.00 H new ATOM 435 N GLY X 31 32.607 -7.082 -0.640 1.00 0.00 N ATOM 436 CA GLY X 31 33.064 -8.464 -0.699 1.00 0.00 C ATOM 437 C GLY X 31 34.179 -8.704 0.313 1.00 0.00 C ATOM 438 O GLY X 31 35.219 -8.044 0.276 1.00 0.00 O ATOM 0 H GLY X 31 32.538 -6.696 0.302 1.00 0.00 H new ATOM 0 HA2 GLY X 31 32.231 -9.137 -0.497 1.00 0.00 H new ATOM 0 HA3 GLY X 31 33.422 -8.692 -1.703 1.00 0.00 H new ATOM 442 N TYR X 32 33.954 -9.649 1.219 1.00 0.00 N ATOM 443 CA TYR X 32 34.946 -9.965 2.241 1.00 0.00 C ATOM 444 C TYR X 32 36.144 -10.676 1.622 1.00 0.00 C ATOM 445 O TYR X 32 35.989 -11.658 0.895 1.00 0.00 O ATOM 446 CB TYR X 32 34.322 -10.857 3.314 1.00 0.00 C ATOM 447 CG TYR X 32 35.369 -11.215 4.341 1.00 0.00 C ATOM 448 CD1 TYR X 32 35.719 -10.292 5.335 1.00 0.00 C ATOM 449 CD2 TYR X 32 35.991 -12.469 4.300 1.00 0.00 C ATOM 450 CE1 TYR X 32 36.691 -10.624 6.288 1.00 0.00 C ATOM 451 CE2 TYR X 32 36.962 -12.800 5.253 1.00 0.00 C ATOM 452 CZ TYR X 32 37.312 -11.877 6.247 1.00 0.00 C ATOM 453 OH TYR X 32 38.268 -12.205 7.185 1.00 0.00 O ATOM 0 H TYR X 32 33.101 -10.206 1.267 1.00 0.00 H new ATOM 0 HA TYR X 32 35.284 -9.033 2.694 1.00 0.00 H new ATOM 0 HB2 TYR X 32 33.489 -10.341 3.792 1.00 0.00 H new ATOM 0 HB3 TYR X 32 33.918 -11.762 2.860 1.00 0.00 H new ATOM 0 HD1 TYR X 32 35.240 -9.325 5.367 1.00 0.00 H new ATOM 0 HD2 TYR X 32 35.722 -13.181 3.534 1.00 0.00 H new ATOM 0 HE1 TYR X 32 36.961 -9.913 7.054 1.00 0.00 H new ATOM 0 HE2 TYR X 32 37.441 -13.767 5.222 1.00 0.00 H new ATOM 0 HH TYR X 32 38.597 -13.112 7.013 1.00 0.00 H new ATOM 463 N GLY X 33 37.338 -10.172 1.911 1.00 0.00 N ATOM 464 CA GLY X 33 38.556 -10.766 1.375 1.00 0.00 C ATOM 465 C GLY X 33 38.889 -10.187 0.001 1.00 0.00 C ATOM 466 O GLY X 33 39.961 -10.446 -0.546 1.00 0.00 O ATOM 0 H GLY X 33 37.488 -9.359 2.509 1.00 0.00 H new ATOM 0 HA2 GLY X 33 39.385 -10.586 2.060 1.00 0.00 H new ATOM 0 HA3 GLY X 33 38.435 -11.847 1.299 1.00 0.00 H new ATOM 470 N SER X 34 37.966 -9.399 -0.555 1.00 0.00 N ATOM 471 CA SER X 34 38.181 -8.792 -1.858 1.00 0.00 C ATOM 472 C SER X 34 38.219 -7.271 -1.736 1.00 0.00 C ATOM 473 O SER X 34 38.756 -6.583 -2.604 1.00 0.00 O ATOM 474 CB SER X 34 37.060 -9.205 -2.810 1.00 0.00 C ATOM 475 OG SER X 34 37.132 -10.606 -3.042 1.00 0.00 O ATOM 0 H SER X 34 37.071 -9.171 -0.122 1.00 0.00 H new ATOM 0 HA SER X 34 39.137 -9.136 -2.252 1.00 0.00 H new ATOM 0 HB2 SER X 34 36.091 -8.945 -2.384 1.00 0.00 H new ATOM 0 HB3 SER X 34 37.150 -8.664 -3.752 1.00 0.00 H new ATOM 0 HG SER X 34 36.413 -10.874 -3.651 1.00 0.00 H new ATOM 481 N SER X 35 37.639 -6.747 -0.657 1.00 0.00 N ATOM 482 CA SER X 35 37.612 -5.312 -0.444 1.00 0.00 C ATOM 483 C SER X 35 39.030 -4.766 -0.317 1.00 0.00 C ATOM 484 O SER X 35 39.326 -3.667 -0.783 1.00 0.00 O ATOM 485 CB SER X 35 36.825 -5.003 0.827 1.00 0.00 C ATOM 486 OG SER X 35 37.542 -5.481 1.959 1.00 0.00 O ATOM 0 H SER X 35 37.186 -7.295 0.075 1.00 0.00 H new ATOM 0 HA SER X 35 37.131 -4.836 -1.298 1.00 0.00 H new ATOM 0 HB2 SER X 35 36.662 -3.929 0.914 1.00 0.00 H new ATOM 0 HB3 SER X 35 35.842 -5.472 0.782 1.00 0.00 H new ATOM 0 HG SER X 35 37.037 -5.281 2.775 1.00 0.00 H new ATOM 492 N SER X 36 39.902 -5.543 0.316 1.00 0.00 N ATOM 493 CA SER X 36 41.288 -5.125 0.496 1.00 0.00 C ATOM 494 C SER X 36 41.992 -5.001 -0.848 1.00 0.00 C ATOM 495 O SER X 36 42.816 -4.110 -1.053 1.00 0.00 O ATOM 496 CB SER X 36 42.028 -6.132 1.377 1.00 0.00 C ATOM 497 OG SER X 36 42.045 -7.398 0.732 1.00 0.00 O ATOM 0 H SER X 36 39.677 -6.457 0.710 1.00 0.00 H new ATOM 0 HA SER X 36 41.292 -4.149 0.982 1.00 0.00 H new ATOM 0 HB2 SER X 36 43.047 -5.791 1.561 1.00 0.00 H new ATOM 0 HB3 SER X 36 41.538 -6.212 2.347 1.00 0.00 H new ATOM 0 HG SER X 36 42.520 -8.045 1.294 1.00 0.00 H new ATOM 503 N ARG X 37 41.658 -5.902 -1.756 1.00 0.00 N ATOM 504 CA ARG X 37 42.258 -5.894 -3.086 1.00 0.00 C ATOM 505 C ARG X 37 41.906 -4.606 -3.825 1.00 0.00 C ATOM 506 O ARG X 37 42.762 -3.982 -4.448 1.00 0.00 O ATOM 507 CB ARG X 37 41.772 -7.096 -3.895 1.00 0.00 C ATOM 508 CG ARG X 37 42.450 -7.095 -5.267 1.00 0.00 C ATOM 509 CD ARG X 37 42.061 -8.359 -6.027 1.00 0.00 C ATOM 510 NE ARG X 37 40.626 -8.378 -6.285 1.00 0.00 N ATOM 511 CZ ARG X 37 40.026 -9.456 -6.791 1.00 0.00 C ATOM 512 NH1 ARG X 37 40.717 -10.534 -7.071 1.00 0.00 N ATOM 513 NH2 ARG X 37 38.739 -9.439 -7.011 1.00 0.00 N ATOM 0 H ARG X 37 40.978 -6.646 -1.601 1.00 0.00 H new ATOM 0 HA ARG X 37 43.340 -5.953 -2.971 1.00 0.00 H new ATOM 0 HB2 ARG X 37 42.000 -8.021 -3.365 1.00 0.00 H new ATOM 0 HB3 ARG X 37 40.689 -7.055 -4.013 1.00 0.00 H new ATOM 0 HG2 ARG X 37 42.151 -6.212 -5.832 1.00 0.00 H new ATOM 0 HG3 ARG X 37 43.533 -7.047 -5.150 1.00 0.00 H new ATOM 0 HD2 ARG X 37 42.607 -8.406 -6.969 1.00 0.00 H new ATOM 0 HD3 ARG X 37 42.345 -9.239 -5.450 1.00 0.00 H new ATOM 0 HE ARG X 37 40.070 -7.550 -6.074 1.00 0.00 H new ATOM 0 HH11 ARG X 37 41.723 -10.553 -6.902 1.00 0.00 H new ATOM 0 HH12 ARG X 37 40.249 -11.354 -7.458 1.00 0.00 H new ATOM 0 HH21 ARG X 37 38.196 -8.603 -6.796 1.00 0.00 H new ATOM 0 HH22 ARG X 37 38.277 -10.262 -7.398 1.00 0.00 H new ATOM 527 N ARG X 38 40.637 -4.216 -3.749 1.00 0.00 N ATOM 528 CA ARG X 38 40.180 -3.002 -4.416 1.00 0.00 C ATOM 529 C ARG X 38 40.865 -1.775 -3.827 1.00 0.00 C ATOM 530 O ARG X 38 41.250 -0.859 -4.554 1.00 0.00 O ATOM 531 CB ARG X 38 38.665 -2.860 -4.262 1.00 0.00 C ATOM 532 CG ARG X 38 37.964 -3.941 -5.086 1.00 0.00 C ATOM 533 CD ARG X 38 36.449 -3.809 -4.914 1.00 0.00 C ATOM 534 NE ARG X 38 35.990 -2.544 -5.479 1.00 0.00 N ATOM 535 CZ ARG X 38 35.787 -2.401 -6.791 1.00 0.00 C ATOM 536 NH1 ARG X 38 36.000 -3.397 -7.616 1.00 0.00 N ATOM 537 NH2 ARG X 38 35.374 -1.254 -7.260 1.00 0.00 N ATOM 0 H ARG X 38 39.912 -4.719 -3.237 1.00 0.00 H new ATOM 0 HA ARG X 38 40.435 -3.076 -5.473 1.00 0.00 H new ATOM 0 HB2 ARG X 38 38.386 -2.950 -3.212 1.00 0.00 H new ATOM 0 HB3 ARG X 38 38.346 -1.872 -4.593 1.00 0.00 H new ATOM 0 HG2 ARG X 38 38.232 -3.843 -6.138 1.00 0.00 H new ATOM 0 HG3 ARG X 38 38.293 -4.929 -4.765 1.00 0.00 H new ATOM 0 HD2 ARG X 38 35.945 -4.641 -5.407 1.00 0.00 H new ATOM 0 HD3 ARG X 38 36.189 -3.860 -3.857 1.00 0.00 H new ATOM 0 HE ARG X 38 35.821 -1.752 -4.858 1.00 0.00 H new ATOM 0 HH11 ARG X 38 36.325 -4.295 -7.258 1.00 0.00 H new ATOM 0 HH12 ARG X 38 35.841 -3.274 -8.616 1.00 0.00 H new ATOM 0 HH21 ARG X 38 35.208 -0.473 -6.625 1.00 0.00 H new ATOM 0 HH22 ARG X 38 35.217 -1.139 -8.261 1.00 0.00 H new ATOM 551 N ALA X 39 41.014 -1.763 -2.507 1.00 0.00 N ATOM 552 CA ALA X 39 41.655 -0.642 -1.835 1.00 0.00 C ATOM 553 C ALA X 39 42.223 -1.077 -0.484 1.00 0.00 C ATOM 554 O ALA X 39 41.819 -2.097 0.072 1.00 0.00 O ATOM 555 CB ALA X 39 40.645 0.493 -1.628 1.00 0.00 C ATOM 0 H ALA X 39 40.702 -2.510 -1.887 1.00 0.00 H new ATOM 0 HA ALA X 39 42.474 -0.288 -2.462 1.00 0.00 H new ATOM 0 HB1 ALA X 39 41.133 1.327 -1.125 1.00 0.00 H new ATOM 0 HB2 ALA X 39 40.266 0.824 -2.595 1.00 0.00 H new ATOM 0 HB3 ALA X 39 39.816 0.136 -1.017 1.00 0.00 H new ATOM 561 N PRO X 40 43.142 -0.317 0.050 1.00 0.00 N ATOM 562 CA PRO X 40 43.776 -0.620 1.364 1.00 0.00 C ATOM 563 C PRO X 40 42.847 -0.305 2.536 1.00 0.00 C ATOM 564 O PRO X 40 43.069 0.652 3.279 1.00 0.00 O ATOM 565 CB PRO X 40 45.011 0.280 1.385 1.00 0.00 C ATOM 566 CG PRO X 40 44.680 1.430 0.493 1.00 0.00 C ATOM 567 CD PRO X 40 43.683 0.916 -0.544 1.00 0.00 C ATOM 0 HA PRO X 40 44.015 -1.678 1.471 1.00 0.00 H new ATOM 0 HB2 PRO X 40 45.233 0.619 2.397 1.00 0.00 H new ATOM 0 HB3 PRO X 40 45.892 -0.253 1.028 1.00 0.00 H new ATOM 0 HG2 PRO X 40 44.251 2.252 1.066 1.00 0.00 H new ATOM 0 HG3 PRO X 40 45.578 1.813 0.008 1.00 0.00 H new ATOM 0 HD2 PRO X 40 42.895 1.645 -0.733 1.00 0.00 H new ATOM 0 HD3 PRO X 40 44.170 0.717 -1.499 1.00 0.00 H new ATOM 575 N GLN X 41 41.811 -1.121 2.695 1.00 0.00 N ATOM 576 CA GLN X 41 40.858 -0.926 3.781 1.00 0.00 C ATOM 577 C GLN X 41 41.216 -1.802 4.981 1.00 0.00 C ATOM 578 O GLN X 41 40.426 -1.943 5.914 1.00 0.00 O ATOM 579 CB GLN X 41 39.442 -1.258 3.305 1.00 0.00 C ATOM 580 CG GLN X 41 38.988 -0.212 2.288 1.00 0.00 C ATOM 581 CD GLN X 41 37.666 -0.637 1.658 1.00 0.00 C ATOM 582 OE1 GLN X 41 37.378 -1.830 1.563 1.00 0.00 O ATOM 583 NE2 GLN X 41 36.842 0.273 1.216 1.00 0.00 N ATOM 0 H GLN X 41 41.610 -1.918 2.091 1.00 0.00 H new ATOM 0 HA GLN X 41 40.900 0.119 4.087 1.00 0.00 H new ATOM 0 HB2 GLN X 41 39.421 -2.251 2.855 1.00 0.00 H new ATOM 0 HB3 GLN X 41 38.757 -1.278 4.153 1.00 0.00 H new ATOM 0 HG2 GLN X 41 38.873 0.756 2.776 1.00 0.00 H new ATOM 0 HG3 GLN X 41 39.747 -0.091 1.515 1.00 0.00 H new ATOM 0 HE21 GLN X 41 37.083 1.261 1.296 1.00 0.00 H new ATOM 0 HE22 GLN X 41 35.957 -0.004 0.791 1.00 0.00 H new ATOM 592 N THR X 42 42.410 -2.388 4.948 1.00 0.00 N ATOM 593 CA THR X 42 42.860 -3.247 6.034 1.00 0.00 C ATOM 594 C THR X 42 43.296 -2.409 7.233 1.00 0.00 C ATOM 595 O THR X 42 43.487 -1.199 7.120 1.00 0.00 O ATOM 596 CB THR X 42 44.030 -4.114 5.560 1.00 0.00 C ATOM 597 OG1 THR X 42 45.123 -3.279 5.209 1.00 0.00 O ATOM 598 CG2 THR X 42 43.599 -4.936 4.344 1.00 0.00 C ATOM 0 H THR X 42 43.078 -2.283 4.185 1.00 0.00 H new ATOM 0 HA THR X 42 42.032 -3.888 6.336 1.00 0.00 H new ATOM 0 HB THR X 42 44.332 -4.789 6.361 1.00 0.00 H new ATOM 0 HG1 THR X 42 45.873 -3.832 4.907 1.00 0.00 H new ATOM 0 HG21 THR X 42 44.433 -5.553 4.008 1.00 0.00 H new ATOM 0 HG22 THR X 42 42.760 -5.577 4.617 1.00 0.00 H new ATOM 0 HG23 THR X 42 43.296 -4.265 3.540 1.00 0.00 H new ATOM 606 N GLY X 43 43.447 -3.061 8.379 1.00 0.00 N ATOM 607 CA GLY X 43 43.855 -2.366 9.593 1.00 0.00 C ATOM 608 C GLY X 43 42.741 -2.399 10.635 1.00 0.00 C ATOM 609 O GLY X 43 42.758 -3.227 11.542 1.00 0.00 O ATOM 0 H GLY X 43 43.294 -4.063 8.493 1.00 0.00 H new ATOM 0 HA2 GLY X 43 44.753 -2.831 9.999 1.00 0.00 H new ATOM 0 HA3 GLY X 43 44.109 -1.332 9.358 1.00 0.00 H new ATOM 613 N ILE X 44 41.769 -1.498 10.499 1.00 0.00 N ATOM 614 CA ILE X 44 40.657 -1.449 11.434 1.00 0.00 C ATOM 615 C ILE X 44 39.872 -2.754 11.406 1.00 0.00 C ATOM 616 O ILE X 44 39.556 -3.320 12.452 1.00 0.00 O ATOM 617 CB ILE X 44 39.737 -0.284 11.072 1.00 0.00 C ATOM 618 CG1 ILE X 44 40.435 1.041 11.389 1.00 0.00 C ATOM 619 CG2 ILE X 44 38.445 -0.386 11.867 1.00 0.00 C ATOM 620 CD1 ILE X 44 39.657 2.197 10.755 1.00 0.00 C ATOM 0 H ILE X 44 41.733 -0.800 9.756 1.00 0.00 H new ATOM 0 HA ILE X 44 41.052 -1.306 12.440 1.00 0.00 H new ATOM 0 HB ILE X 44 39.508 -0.324 10.007 1.00 0.00 H new ATOM 0 HG12 ILE X 44 40.498 1.181 12.468 1.00 0.00 H new ATOM 0 HG13 ILE X 44 41.456 1.025 11.009 1.00 0.00 H new ATOM 0 HG21 ILE X 44 37.791 0.446 11.607 1.00 0.00 H new ATOM 0 HG22 ILE X 44 37.947 -1.326 11.632 1.00 0.00 H new ATOM 0 HG23 ILE X 44 38.670 -0.351 12.933 1.00 0.00 H new ATOM 0 HD11 ILE X 44 40.156 3.139 10.982 1.00 0.00 H new ATOM 0 HD12 ILE X 44 39.617 2.059 9.675 1.00 0.00 H new ATOM 0 HD13 ILE X 44 38.644 2.217 11.156 1.00 0.00 H new ATOM 632 N VAL X 45 39.562 -3.225 10.201 1.00 0.00 N ATOM 633 CA VAL X 45 38.817 -4.468 10.046 1.00 0.00 C ATOM 634 C VAL X 45 39.593 -5.636 10.627 1.00 0.00 C ATOM 635 O VAL X 45 39.040 -6.458 11.348 1.00 0.00 O ATOM 636 CB VAL X 45 38.534 -4.731 8.568 1.00 0.00 C ATOM 637 CG1 VAL X 45 37.999 -6.157 8.395 1.00 0.00 C ATOM 638 CG2 VAL X 45 37.482 -3.733 8.069 1.00 0.00 C ATOM 0 H VAL X 45 39.813 -2.768 9.325 1.00 0.00 H new ATOM 0 HA VAL X 45 37.875 -4.368 10.585 1.00 0.00 H new ATOM 0 HB VAL X 45 39.454 -4.615 7.995 1.00 0.00 H new ATOM 0 HG11 VAL X 45 37.797 -6.344 7.340 1.00 0.00 H new ATOM 0 HG12 VAL X 45 38.741 -6.870 8.755 1.00 0.00 H new ATOM 0 HG13 VAL X 45 37.078 -6.272 8.967 1.00 0.00 H new ATOM 0 HG21 VAL X 45 37.277 -3.917 7.014 1.00 0.00 H new ATOM 0 HG22 VAL X 45 36.564 -3.854 8.644 1.00 0.00 H new ATOM 0 HG23 VAL X 45 37.856 -2.717 8.194 1.00 0.00 H new ATOM 648 N ASP X 46 40.878 -5.701 10.301 1.00 0.00 N ATOM 649 CA ASP X 46 41.725 -6.773 10.796 1.00 0.00 C ATOM 650 C ASP X 46 41.845 -6.717 12.311 1.00 0.00 C ATOM 651 O ASP X 46 41.866 -7.749 12.973 1.00 0.00 O ATOM 652 CB ASP X 46 43.119 -6.676 10.176 1.00 0.00 C ATOM 653 CG ASP X 46 43.066 -7.078 8.707 1.00 0.00 C ATOM 654 OD1 ASP X 46 42.057 -7.627 8.299 1.00 0.00 O ATOM 655 OD2 ASP X 46 44.037 -6.830 8.010 1.00 0.00 O ATOM 0 H ASP X 46 41.352 -5.027 9.699 1.00 0.00 H new ATOM 0 HA ASP X 46 41.264 -7.720 10.514 1.00 0.00 H new ATOM 0 HB2 ASP X 46 43.497 -5.658 10.269 1.00 0.00 H new ATOM 0 HB3 ASP X 46 43.811 -7.324 10.714 1.00 0.00 H new ATOM 660 N GLU X 47 41.943 -5.509 12.857 1.00 0.00 N ATOM 661 CA GLU X 47 42.082 -5.360 14.298 1.00 0.00 C ATOM 662 C GLU X 47 40.867 -5.908 15.035 1.00 0.00 C ATOM 663 O GLU X 47 41.008 -6.703 15.962 1.00 0.00 O ATOM 664 CB GLU X 47 42.243 -3.874 14.639 1.00 0.00 C ATOM 665 CG GLU X 47 42.394 -3.700 16.151 1.00 0.00 C ATOM 666 CD GLU X 47 43.650 -4.413 16.633 1.00 0.00 C ATOM 667 OE1 GLU X 47 44.517 -4.661 15.812 1.00 0.00 O ATOM 668 OE2 GLU X 47 43.727 -4.702 17.815 1.00 0.00 O ATOM 0 H GLU X 47 41.929 -4.634 12.333 1.00 0.00 H new ATOM 0 HA GLU X 47 42.959 -5.924 14.614 1.00 0.00 H new ATOM 0 HB2 GLU X 47 43.116 -3.467 14.128 1.00 0.00 H new ATOM 0 HB3 GLU X 47 41.377 -3.315 14.285 1.00 0.00 H new ATOM 0 HG2 GLU X 47 42.449 -2.640 16.400 1.00 0.00 H new ATOM 0 HG3 GLU X 47 41.519 -4.102 16.661 1.00 0.00 H new ATOM 675 N CYS X 48 39.680 -5.478 14.621 1.00 0.00 N ATOM 676 CA CYS X 48 38.454 -5.939 15.256 1.00 0.00 C ATOM 677 C CYS X 48 38.170 -7.397 14.910 1.00 0.00 C ATOM 678 O CYS X 48 37.736 -8.182 15.755 1.00 0.00 O ATOM 679 CB CYS X 48 37.276 -5.078 14.799 1.00 0.00 C ATOM 680 SG CYS X 48 37.481 -3.397 15.438 1.00 0.00 S ATOM 0 H CYS X 48 39.542 -4.817 13.856 1.00 0.00 H new ATOM 0 HA CYS X 48 38.582 -5.854 16.335 1.00 0.00 H new ATOM 0 HB2 CYS X 48 37.223 -5.062 13.710 1.00 0.00 H new ATOM 0 HB3 CYS X 48 36.339 -5.504 15.157 1.00 0.00 H new ATOM 685 N CYS X 49 38.412 -7.753 13.650 1.00 0.00 N ATOM 686 CA CYS X 49 38.175 -9.113 13.184 1.00 0.00 C ATOM 687 C CYS X 49 39.039 -10.110 13.947 1.00 0.00 C ATOM 688 O CYS X 49 38.546 -11.130 14.427 1.00 0.00 O ATOM 689 CB CYS X 49 38.482 -9.216 11.685 1.00 0.00 C ATOM 690 SG CYS X 49 38.131 -10.897 11.108 1.00 0.00 S ATOM 0 H CYS X 49 38.771 -7.118 12.937 1.00 0.00 H new ATOM 0 HA CYS X 49 37.126 -9.352 13.361 1.00 0.00 H new ATOM 0 HB2 CYS X 49 37.880 -8.497 11.130 1.00 0.00 H new ATOM 0 HB3 CYS X 49 39.527 -8.968 11.499 1.00 0.00 H new ATOM 695 N PHE X 50 40.332 -9.808 14.053 1.00 0.00 N ATOM 696 CA PHE X 50 41.248 -10.695 14.760 1.00 0.00 C ATOM 697 C PHE X 50 41.262 -10.369 16.250 1.00 0.00 C ATOM 698 O PHE X 50 40.818 -11.164 17.079 1.00 0.00 O ATOM 699 CB PHE X 50 42.656 -10.534 14.178 1.00 0.00 C ATOM 700 CG PHE X 50 42.720 -11.206 12.828 1.00 0.00 C ATOM 701 CD1 PHE X 50 42.197 -10.553 11.703 1.00 0.00 C ATOM 702 CD2 PHE X 50 43.303 -12.471 12.696 1.00 0.00 C ATOM 703 CE1 PHE X 50 42.256 -11.163 10.446 1.00 0.00 C ATOM 704 CE2 PHE X 50 43.363 -13.083 11.437 1.00 0.00 C ATOM 705 CZ PHE X 50 42.837 -12.431 10.313 1.00 0.00 C ATOM 0 H PHE X 50 40.762 -8.969 13.664 1.00 0.00 H new ATOM 0 HA PHE X 50 40.915 -11.725 14.636 1.00 0.00 H new ATOM 0 HB2 PHE X 50 42.903 -9.477 14.082 1.00 0.00 H new ATOM 0 HB3 PHE X 50 43.392 -10.974 14.851 1.00 0.00 H new ATOM 0 HD1 PHE X 50 41.747 -9.577 11.807 1.00 0.00 H new ATOM 0 HD2 PHE X 50 43.706 -12.975 13.562 1.00 0.00 H new ATOM 0 HE1 PHE X 50 41.855 -10.658 9.580 1.00 0.00 H new ATOM 0 HE2 PHE X 50 43.815 -14.058 11.332 1.00 0.00 H new ATOM 0 HZ PHE X 50 42.880 -12.906 9.344 1.00 0.00 H new ATOM 715 N ARG X 51 41.778 -9.187 16.584 1.00 0.00 N ATOM 716 CA ARG X 51 41.847 -8.757 17.974 1.00 0.00 C ATOM 717 C ARG X 51 40.502 -8.208 18.437 1.00 0.00 C ATOM 718 O ARG X 51 39.622 -7.923 17.627 1.00 0.00 O ATOM 719 CB ARG X 51 42.923 -7.678 18.141 1.00 0.00 C ATOM 720 CG ARG X 51 44.212 -8.318 18.669 1.00 0.00 C ATOM 721 CD ARG X 51 44.793 -9.245 17.606 1.00 0.00 C ATOM 722 NE ARG X 51 46.136 -9.673 17.979 1.00 0.00 N ATOM 723 CZ ARG X 51 46.802 -10.576 17.258 1.00 0.00 C ATOM 724 NH1 ARG X 51 46.260 -11.105 16.188 1.00 0.00 N ATOM 725 NH2 ARG X 51 48.002 -10.938 17.622 1.00 0.00 N ATOM 0 H ARG X 51 42.152 -8.516 15.913 1.00 0.00 H new ATOM 0 HA ARG X 51 42.103 -9.623 18.584 1.00 0.00 H new ATOM 0 HB2 ARG X 51 43.113 -7.188 17.186 1.00 0.00 H new ATOM 0 HB3 ARG X 51 42.577 -6.909 18.831 1.00 0.00 H new ATOM 0 HG2 ARG X 51 44.935 -7.544 18.927 1.00 0.00 H new ATOM 0 HG3 ARG X 51 44.005 -8.878 19.581 1.00 0.00 H new ATOM 0 HD2 ARG X 51 44.149 -10.116 17.483 1.00 0.00 H new ATOM 0 HD3 ARG X 51 44.822 -8.732 16.645 1.00 0.00 H new ATOM 0 HE ARG X 51 46.575 -9.274 18.808 1.00 0.00 H new ATOM 0 HH11 ARG X 51 45.322 -10.827 15.901 1.00 0.00 H new ATOM 0 HH12 ARG X 51 46.777 -11.795 15.643 1.00 0.00 H new ATOM 0 HH21 ARG X 51 48.427 -10.531 18.455 1.00 0.00 H new ATOM 0 HH22 ARG X 51 48.515 -11.628 17.073 1.00 0.00 H new ATOM 739 N SER X 52 40.345 -8.062 19.746 1.00 0.00 N ATOM 740 CA SER X 52 39.100 -7.541 20.296 1.00 0.00 C ATOM 741 C SER X 52 39.206 -6.033 20.501 1.00 0.00 C ATOM 742 O SER X 52 39.532 -5.568 21.592 1.00 0.00 O ATOM 743 CB SER X 52 38.796 -8.221 21.630 1.00 0.00 C ATOM 744 OG SER X 52 38.543 -9.602 21.406 1.00 0.00 O ATOM 0 H SER X 52 41.055 -8.294 20.440 1.00 0.00 H new ATOM 0 HA SER X 52 38.292 -7.748 19.594 1.00 0.00 H new ATOM 0 HB2 SER X 52 39.637 -8.100 22.313 1.00 0.00 H new ATOM 0 HB3 SER X 52 37.932 -7.753 22.101 1.00 0.00 H new ATOM 0 HG SER X 52 38.349 -10.042 22.260 1.00 0.00 H new ATOM 750 N CYS X 53 38.930 -5.275 19.444 1.00 0.00 N ATOM 751 CA CYS X 53 39.001 -3.821 19.524 1.00 0.00 C ATOM 752 C CYS X 53 37.894 -3.279 20.423 1.00 0.00 C ATOM 753 O CYS X 53 36.810 -3.856 20.505 1.00 0.00 O ATOM 754 CB CYS X 53 38.874 -3.220 18.119 1.00 0.00 C ATOM 755 SG CYS X 53 37.239 -3.593 17.435 1.00 0.00 S ATOM 0 H CYS X 53 38.658 -5.639 18.531 1.00 0.00 H new ATOM 0 HA CYS X 53 39.963 -3.540 19.953 1.00 0.00 H new ATOM 0 HB2 CYS X 53 39.023 -2.141 18.161 1.00 0.00 H new ATOM 0 HB3 CYS X 53 39.650 -3.624 17.469 1.00 0.00 H new ATOM 760 N ASP X 54 38.180 -2.172 21.103 1.00 0.00 N ATOM 761 CA ASP X 54 37.204 -1.565 21.999 1.00 0.00 C ATOM 762 C ASP X 54 36.035 -0.975 21.214 1.00 0.00 C ATOM 763 O ASP X 54 36.219 -0.396 20.144 1.00 0.00 O ATOM 764 CB ASP X 54 37.871 -0.465 22.828 1.00 0.00 C ATOM 765 CG ASP X 54 38.827 -1.086 23.839 1.00 0.00 C ATOM 766 OD1 ASP X 54 38.717 -2.278 24.079 1.00 0.00 O ATOM 767 OD2 ASP X 54 39.663 -0.363 24.358 1.00 0.00 O ATOM 0 H ASP X 54 39.073 -1.681 21.051 1.00 0.00 H new ATOM 0 HA ASP X 54 36.821 -2.341 22.661 1.00 0.00 H new ATOM 0 HB2 ASP X 54 38.413 0.218 22.174 1.00 0.00 H new ATOM 0 HB3 ASP X 54 37.113 0.123 23.345 1.00 0.00 H new ATOM 772 N LEU X 55 34.832 -1.120 21.758 1.00 0.00 N ATOM 773 CA LEU X 55 33.641 -0.594 21.100 1.00 0.00 C ATOM 774 C LEU X 55 33.710 0.927 21.009 1.00 0.00 C ATOM 775 O LEU X 55 33.332 1.514 19.996 1.00 0.00 O ATOM 776 CB LEU X 55 32.392 -1.004 21.882 1.00 0.00 C ATOM 777 CG LEU X 55 32.160 -2.510 21.730 1.00 0.00 C ATOM 778 CD1 LEU X 55 31.084 -2.963 22.720 1.00 0.00 C ATOM 779 CD2 LEU X 55 31.695 -2.813 20.301 1.00 0.00 C ATOM 0 H LEU X 55 34.656 -1.593 22.644 1.00 0.00 H new ATOM 0 HA LEU X 55 33.591 -1.006 20.092 1.00 0.00 H new ATOM 0 HB2 LEU X 55 32.510 -0.749 22.935 1.00 0.00 H new ATOM 0 HB3 LEU X 55 31.525 -0.454 21.516 1.00 0.00 H new ATOM 0 HG LEU X 55 33.089 -3.043 21.932 1.00 0.00 H new ATOM 0 HD11 LEU X 55 30.918 -4.035 22.612 1.00 0.00 H new ATOM 0 HD12 LEU X 55 31.411 -2.747 23.737 1.00 0.00 H new ATOM 0 HD13 LEU X 55 30.155 -2.430 22.517 1.00 0.00 H new ATOM 0 HD21 LEU X 55 31.530 -3.885 20.192 1.00 0.00 H new ATOM 0 HD22 LEU X 55 30.766 -2.280 20.100 1.00 0.00 H new ATOM 0 HD23 LEU X 55 32.459 -2.490 19.594 1.00 0.00 H new ATOM 791 N ARG X 56 34.195 1.559 22.071 1.00 0.00 N ATOM 792 CA ARG X 56 34.303 3.012 22.090 1.00 0.00 C ATOM 793 C ARG X 56 35.204 3.496 20.953 1.00 0.00 C ATOM 794 O ARG X 56 34.848 4.425 20.229 1.00 0.00 O ATOM 795 CB ARG X 56 34.881 3.468 23.433 1.00 0.00 C ATOM 796 CG ARG X 56 34.999 4.993 23.448 1.00 0.00 C ATOM 797 CD ARG X 56 35.428 5.456 24.841 1.00 0.00 C ATOM 798 NE ARG X 56 35.648 6.899 24.841 1.00 0.00 N ATOM 799 CZ ARG X 56 34.632 7.761 24.922 1.00 0.00 C ATOM 800 NH1 ARG X 56 33.395 7.334 24.997 1.00 0.00 N ATOM 801 NH2 ARG X 56 34.871 9.045 24.917 1.00 0.00 N ATOM 0 H ARG X 56 34.516 1.095 22.921 1.00 0.00 H new ATOM 0 HA ARG X 56 33.309 3.439 21.956 1.00 0.00 H new ATOM 0 HB2 ARG X 56 34.240 3.135 24.249 1.00 0.00 H new ATOM 0 HB3 ARG X 56 35.860 3.016 23.592 1.00 0.00 H new ATOM 0 HG2 ARG X 56 35.726 5.320 22.704 1.00 0.00 H new ATOM 0 HG3 ARG X 56 34.044 5.445 23.181 1.00 0.00 H new ATOM 0 HD2 ARG X 56 34.662 5.197 25.572 1.00 0.00 H new ATOM 0 HD3 ARG X 56 36.341 4.941 25.140 1.00 0.00 H new ATOM 0 HE ARG X 56 36.601 7.257 24.778 1.00 0.00 H new ATOM 0 HH11 ARG X 56 33.200 6.333 24.994 1.00 0.00 H new ATOM 0 HH12 ARG X 56 32.627 8.003 25.059 1.00 0.00 H new ATOM 0 HH21 ARG X 56 35.830 9.385 24.851 1.00 0.00 H new ATOM 0 HH22 ARG X 56 34.098 9.708 24.979 1.00 0.00 H new ATOM 815 N ARG X 57 36.368 2.861 20.801 1.00 0.00 N ATOM 816 CA ARG X 57 37.300 3.235 19.756 1.00 0.00 C ATOM 817 C ARG X 57 36.667 3.015 18.385 1.00 0.00 C ATOM 818 O ARG X 57 36.862 3.805 17.466 1.00 0.00 O ATOM 819 CB ARG X 57 38.569 2.402 19.886 1.00 0.00 C ATOM 820 CG ARG X 57 39.664 3.044 19.044 1.00 0.00 C ATOM 821 CD ARG X 57 41.010 2.449 19.444 1.00 0.00 C ATOM 822 NE ARG X 57 41.060 1.045 19.073 1.00 0.00 N ATOM 823 CZ ARG X 57 41.416 0.653 17.845 1.00 0.00 C ATOM 824 NH1 ARG X 57 41.727 1.530 16.923 1.00 0.00 N ATOM 825 NH2 ARG X 57 41.452 -0.619 17.554 1.00 0.00 N ATOM 0 H ARG X 57 36.679 2.089 21.390 1.00 0.00 H new ATOM 0 HA ARG X 57 37.550 4.291 19.858 1.00 0.00 H new ATOM 0 HB2 ARG X 57 38.879 2.346 20.930 1.00 0.00 H new ATOM 0 HB3 ARG X 57 38.386 1.380 19.553 1.00 0.00 H new ATOM 0 HG2 ARG X 57 39.475 2.870 17.985 1.00 0.00 H new ATOM 0 HG3 ARG X 57 39.670 4.124 19.194 1.00 0.00 H new ATOM 0 HD2 ARG X 57 41.818 2.993 18.954 1.00 0.00 H new ATOM 0 HD3 ARG X 57 41.160 2.556 20.518 1.00 0.00 H new ATOM 0 HE ARG X 57 40.817 0.339 19.768 1.00 0.00 H new ATOM 0 HH11 ARG X 57 41.700 2.527 17.137 1.00 0.00 H new ATOM 0 HH12 ARG X 57 41.997 1.216 15.991 1.00 0.00 H new ATOM 0 HH21 ARG X 57 41.209 -1.311 18.263 1.00 0.00 H new ATOM 0 HH22 ARG X 57 41.723 -0.921 16.618 1.00 0.00 H new ATOM 839 N LEU X 58 35.905 1.935 18.257 1.00 0.00 N ATOM 840 CA LEU X 58 35.250 1.615 16.993 1.00 0.00 C ATOM 841 C LEU X 58 34.316 2.745 16.572 1.00 0.00 C ATOM 842 O LEU X 58 34.172 3.029 15.383 1.00 0.00 O ATOM 843 CB LEU X 58 34.452 0.316 17.126 1.00 0.00 C ATOM 844 CG LEU X 58 34.008 -0.160 15.740 1.00 0.00 C ATOM 845 CD1 LEU X 58 35.191 -0.806 15.006 1.00 0.00 C ATOM 846 CD2 LEU X 58 32.878 -1.183 15.889 1.00 0.00 C ATOM 0 H LEU X 58 35.726 1.269 19.008 1.00 0.00 H new ATOM 0 HA LEU X 58 36.020 1.490 16.232 1.00 0.00 H new ATOM 0 HB2 LEU X 58 35.062 -0.449 17.606 1.00 0.00 H new ATOM 0 HB3 LEU X 58 33.582 0.476 17.762 1.00 0.00 H new ATOM 0 HG LEU X 58 33.653 0.695 15.164 1.00 0.00 H new ATOM 0 HD11 LEU X 58 34.868 -1.142 14.021 1.00 0.00 H new ATOM 0 HD12 LEU X 58 35.993 -0.076 14.895 1.00 0.00 H new ATOM 0 HD13 LEU X 58 35.553 -1.659 15.580 1.00 0.00 H new ATOM 0 HD21 LEU X 58 32.562 -1.522 14.903 1.00 0.00 H new ATOM 0 HD22 LEU X 58 33.233 -2.035 16.469 1.00 0.00 H new ATOM 0 HD23 LEU X 58 32.034 -0.721 16.402 1.00 0.00 H new ATOM 858 N ASP X 59 33.681 3.377 17.552 1.00 0.00 N ATOM 859 CA ASP X 59 32.755 4.470 17.276 1.00 0.00 C ATOM 860 C ASP X 59 33.435 5.554 16.433 1.00 0.00 C ATOM 861 O ASP X 59 32.778 6.325 15.735 1.00 0.00 O ATOM 862 CB ASP X 59 32.260 5.082 18.589 1.00 0.00 C ATOM 863 CG ASP X 59 31.069 5.998 18.323 1.00 0.00 C ATOM 864 OD1 ASP X 59 30.726 6.170 17.165 1.00 0.00 O ATOM 865 OD2 ASP X 59 30.518 6.513 19.283 1.00 0.00 O ATOM 0 H ASP X 59 33.789 3.153 18.541 1.00 0.00 H new ATOM 0 HA ASP X 59 31.908 4.069 16.719 1.00 0.00 H new ATOM 0 HB2 ASP X 59 31.973 4.292 19.283 1.00 0.00 H new ATOM 0 HB3 ASP X 59 33.064 5.646 19.063 1.00 0.00 H new ATOM 870 N MET X 60 34.762 5.601 16.500 1.00 0.00 N ATOM 871 CA MET X 60 35.522 6.592 15.746 1.00 0.00 C ATOM 872 C MET X 60 35.266 6.438 14.255 1.00 0.00 C ATOM 873 O MET X 60 35.206 7.426 13.524 1.00 0.00 O ATOM 874 CB MET X 60 37.012 6.417 16.014 1.00 0.00 C ATOM 875 CG MET X 60 37.333 6.856 17.441 1.00 0.00 C ATOM 876 SD MET X 60 37.200 8.656 17.550 1.00 0.00 S ATOM 877 CE MET X 60 38.699 9.053 16.612 1.00 0.00 C ATOM 0 H MET X 60 35.330 4.969 17.064 1.00 0.00 H new ATOM 0 HA MET X 60 35.202 7.584 16.065 1.00 0.00 H new ATOM 0 HB2 MET X 60 37.297 5.375 15.871 1.00 0.00 H new ATOM 0 HB3 MET X 60 37.591 7.006 15.303 1.00 0.00 H new ATOM 0 HG2 MET X 60 36.645 6.385 18.143 1.00 0.00 H new ATOM 0 HG3 MET X 60 38.338 6.536 17.716 1.00 0.00 H new ATOM 0 HE1 MET X 60 39.266 9.820 17.139 1.00 0.00 H new ATOM 0 HE2 MET X 60 39.311 8.157 16.508 1.00 0.00 H new ATOM 0 HE3 MET X 60 38.423 9.421 15.624 1.00 0.00 H new ATOM 887 N TYR X 61 35.121 5.198 13.804 1.00 0.00 N ATOM 888 CA TYR X 61 34.884 4.935 12.389 1.00 0.00 C ATOM 889 C TYR X 61 33.412 5.148 12.017 1.00 0.00 C ATOM 890 O TYR X 61 32.910 4.531 11.074 1.00 0.00 O ATOM 891 CB TYR X 61 35.295 3.500 12.050 1.00 0.00 C ATOM 892 CG TYR X 61 36.540 3.135 12.829 1.00 0.00 C ATOM 893 CD1 TYR X 61 36.608 1.912 13.507 1.00 0.00 C ATOM 894 CD2 TYR X 61 37.625 4.023 12.876 1.00 0.00 C ATOM 895 CE1 TYR X 61 37.758 1.575 14.231 1.00 0.00 C ATOM 896 CE2 TYR X 61 38.774 3.688 13.600 1.00 0.00 C ATOM 897 CZ TYR X 61 38.841 2.464 14.279 1.00 0.00 C ATOM 898 OH TYR X 61 39.975 2.135 14.993 1.00 0.00 O ATOM 0 H TYR X 61 35.163 4.365 14.391 1.00 0.00 H new ATOM 0 HA TYR X 61 35.486 5.638 11.813 1.00 0.00 H new ATOM 0 HB2 TYR X 61 34.486 2.811 12.293 1.00 0.00 H new ATOM 0 HB3 TYR X 61 35.482 3.407 10.980 1.00 0.00 H new ATOM 0 HD1 TYR X 61 35.773 1.228 13.472 1.00 0.00 H new ATOM 0 HD2 TYR X 61 37.573 4.966 12.353 1.00 0.00 H new ATOM 0 HE1 TYR X 61 37.811 0.631 14.752 1.00 0.00 H new ATOM 0 HE2 TYR X 61 39.609 4.372 13.636 1.00 0.00 H new ATOM 0 HH TYR X 61 40.629 2.861 14.921 1.00 0.00 H new ATOM 908 N CYS X 62 32.728 6.029 12.746 1.00 0.00 N ATOM 909 CA CYS X 62 31.334 6.321 12.472 1.00 0.00 C ATOM 910 C CYS X 62 31.218 7.620 11.681 1.00 0.00 C ATOM 911 O CYS X 62 32.009 8.548 11.869 1.00 0.00 O ATOM 912 CB CYS X 62 30.567 6.450 13.788 1.00 0.00 C ATOM 913 SG CYS X 62 30.511 4.843 14.612 1.00 0.00 S ATOM 0 H CYS X 62 33.122 6.550 13.529 1.00 0.00 H new ATOM 0 HA CYS X 62 30.910 5.507 11.884 1.00 0.00 H new ATOM 0 HB2 CYS X 62 31.050 7.184 14.432 1.00 0.00 H new ATOM 0 HB3 CYS X 62 29.555 6.809 13.598 1.00 0.00 H new ATOM 918 N ALA X 63 30.235 7.675 10.791 1.00 0.00 N ATOM 919 CA ALA X 63 30.029 8.852 9.970 1.00 0.00 C ATOM 920 C ALA X 63 29.571 10.034 10.828 1.00 0.00 C ATOM 921 O ALA X 63 28.971 9.851 11.886 1.00 0.00 O ATOM 922 CB ALA X 63 28.971 8.562 8.902 1.00 0.00 C ATOM 0 H ALA X 63 29.572 6.918 10.623 1.00 0.00 H new ATOM 0 HA ALA X 63 30.974 9.107 9.491 1.00 0.00 H new ATOM 0 HB1 ALA X 63 28.821 9.450 8.288 1.00 0.00 H new ATOM 0 HB2 ALA X 63 29.306 7.738 8.272 1.00 0.00 H new ATOM 0 HB3 ALA X 63 28.032 8.291 9.384 1.00 0.00 H new ATOM 928 N PRO X 64 29.842 11.232 10.387 1.00 0.00 N ATOM 929 CA PRO X 64 29.455 12.472 11.116 1.00 0.00 C ATOM 930 C PRO X 64 27.963 12.769 11.002 1.00 0.00 C ATOM 931 O PRO X 64 27.292 12.288 10.091 1.00 0.00 O ATOM 932 CB PRO X 64 30.285 13.563 10.437 1.00 0.00 C ATOM 933 CG PRO X 64 30.535 13.061 9.054 1.00 0.00 C ATOM 934 CD PRO X 64 30.548 11.535 9.135 1.00 0.00 C ATOM 0 HA PRO X 64 29.642 12.392 12.187 1.00 0.00 H new ATOM 0 HB2 PRO X 64 29.749 14.512 10.421 1.00 0.00 H new ATOM 0 HB3 PRO X 64 31.221 13.734 10.969 1.00 0.00 H new ATOM 0 HG2 PRO X 64 29.758 13.405 8.371 1.00 0.00 H new ATOM 0 HG3 PRO X 64 31.484 13.436 8.672 1.00 0.00 H new ATOM 0 HD2 PRO X 64 30.047 11.087 8.277 1.00 0.00 H new ATOM 0 HD3 PRO X 64 31.566 11.146 9.148 1.00 0.00 H new ATOM 942 N LEU X 65 27.451 13.566 11.934 1.00 0.00 N ATOM 943 CA LEU X 65 26.038 13.925 11.927 1.00 0.00 C ATOM 944 C LEU X 65 25.743 14.895 10.794 1.00 0.00 C ATOM 945 O LEU X 65 26.575 15.737 10.453 1.00 0.00 O ATOM 946 CB LEU X 65 25.652 14.560 13.263 1.00 0.00 C ATOM 947 CG LEU X 65 25.804 13.533 14.386 1.00 0.00 C ATOM 948 CD1 LEU X 65 25.592 14.217 15.736 1.00 0.00 C ATOM 949 CD2 LEU X 65 24.761 12.424 14.212 1.00 0.00 C ATOM 0 H LEU X 65 27.989 13.973 12.699 1.00 0.00 H new ATOM 0 HA LEU X 65 25.451 13.019 11.777 1.00 0.00 H new ATOM 0 HB2 LEU X 65 26.284 15.426 13.461 1.00 0.00 H new ATOM 0 HB3 LEU X 65 24.624 14.919 13.222 1.00 0.00 H new ATOM 0 HG LEU X 65 26.805 13.102 14.347 1.00 0.00 H new ATOM 0 HD11 LEU X 65 25.700 13.485 16.536 1.00 0.00 H new ATOM 0 HD12 LEU X 65 26.332 15.007 15.864 1.00 0.00 H new ATOM 0 HD13 LEU X 65 24.592 14.648 15.772 1.00 0.00 H new ATOM 0 HD21 LEU X 65 24.870 11.693 15.013 1.00 0.00 H new ATOM 0 HD22 LEU X 65 23.761 12.856 14.249 1.00 0.00 H new ATOM 0 HD23 LEU X 65 24.909 11.933 13.250 1.00 0.00 H new ATOM 961 N LYS X 66 24.555 14.768 10.211 1.00 0.00 N ATOM 962 CA LYS X 66 24.168 15.636 9.110 1.00 0.00 C ATOM 963 C LYS X 66 23.934 17.065 9.604 1.00 0.00 C ATOM 964 O LYS X 66 23.593 17.280 10.767 1.00 0.00 O ATOM 965 CB LYS X 66 22.892 15.113 8.449 1.00 0.00 C ATOM 966 CG LYS X 66 23.194 13.799 7.729 1.00 0.00 C ATOM 967 CD LYS X 66 21.917 13.267 7.079 1.00 0.00 C ATOM 968 CE LYS X 66 22.221 11.954 6.358 1.00 0.00 C ATOM 969 NZ LYS X 66 20.972 11.425 5.739 1.00 0.00 N ATOM 0 H LYS X 66 23.852 14.080 10.480 1.00 0.00 H new ATOM 0 HA LYS X 66 24.979 15.641 8.382 1.00 0.00 H new ATOM 0 HB2 LYS X 66 22.117 14.959 9.200 1.00 0.00 H new ATOM 0 HB3 LYS X 66 22.508 15.848 7.742 1.00 0.00 H new ATOM 0 HG2 LYS X 66 23.962 13.956 6.972 1.00 0.00 H new ATOM 0 HG3 LYS X 66 23.587 13.067 8.435 1.00 0.00 H new ATOM 0 HD2 LYS X 66 21.149 13.109 7.836 1.00 0.00 H new ATOM 0 HD3 LYS X 66 21.523 13.999 6.374 1.00 0.00 H new ATOM 0 HE2 LYS X 66 22.979 12.115 5.592 1.00 0.00 H new ATOM 0 HE3 LYS X 66 22.627 11.227 7.061 1.00 0.00 H new ATOM 0 HZ1 LYS X 66 21.179 10.532 5.248 1.00 0.00 H new ATOM 0 HZ2 LYS X 66 20.262 11.257 6.480 1.00 0.00 H new ATOM 0 HZ3 LYS X 66 20.603 12.117 5.056 1.00 0.00 H new ATOM 983 N PRO X 67 24.111 18.038 8.746 1.00 0.00 N ATOM 984 CA PRO X 67 23.914 19.473 9.102 1.00 0.00 C ATOM 985 C PRO X 67 22.443 19.824 9.309 1.00 0.00 C ATOM 986 O PRO X 67 21.553 19.173 8.759 1.00 0.00 O ATOM 987 CB PRO X 67 24.496 20.226 7.902 1.00 0.00 C ATOM 988 CG PRO X 67 24.391 19.280 6.756 1.00 0.00 C ATOM 989 CD PRO X 67 24.511 17.877 7.339 1.00 0.00 C ATOM 0 HA PRO X 67 24.395 19.729 10.046 1.00 0.00 H new ATOM 0 HB2 PRO X 67 23.941 21.144 7.707 1.00 0.00 H new ATOM 0 HB3 PRO X 67 25.532 20.512 8.082 1.00 0.00 H new ATOM 0 HG2 PRO X 67 23.441 19.404 6.237 1.00 0.00 H new ATOM 0 HG3 PRO X 67 25.179 19.466 6.027 1.00 0.00 H new ATOM 0 HD2 PRO X 67 23.863 17.172 6.818 1.00 0.00 H new ATOM 0 HD3 PRO X 67 25.529 17.496 7.255 1.00 0.00 H new ATOM 997 N ALA X 68 22.195 20.857 10.105 1.00 0.00 N ATOM 998 CA ALA X 68 20.831 21.290 10.380 1.00 0.00 C ATOM 999 C ALA X 68 20.139 21.719 9.091 1.00 0.00 C ATOM 1000 O ALA X 68 18.951 21.464 8.899 1.00 0.00 O ATOM 1001 CB ALA X 68 20.835 22.452 11.373 1.00 0.00 C ATOM 0 H ALA X 68 22.917 21.408 10.569 1.00 0.00 H new ATOM 0 HA ALA X 68 20.285 20.452 10.813 1.00 0.00 H new ATOM 0 HB1 ALA X 68 19.810 22.766 11.570 1.00 0.00 H new ATOM 0 HB2 ALA X 68 21.302 22.133 12.305 1.00 0.00 H new ATOM 0 HB3 ALA X 68 21.396 23.287 10.954 1.00 0.00 H new ATOM 1007 N LYS X 69 20.889 22.376 8.216 1.00 0.00 N ATOM 1008 CA LYS X 69 20.334 22.844 6.952 1.00 0.00 C ATOM 1009 C LYS X 69 19.774 21.675 6.150 1.00 0.00 C ATOM 1010 O LYS X 69 18.662 21.746 5.629 1.00 0.00 O ATOM 1011 CB LYS X 69 21.424 23.545 6.139 1.00 0.00 C ATOM 1012 CG LYS X 69 20.832 24.061 4.823 1.00 0.00 C ATOM 1013 CD LYS X 69 21.911 24.795 4.021 1.00 0.00 C ATOM 1014 CE LYS X 69 22.217 26.142 4.677 1.00 0.00 C ATOM 1015 NZ LYS X 69 20.990 26.989 4.661 1.00 0.00 N ATOM 0 H LYS X 69 21.875 22.596 8.356 1.00 0.00 H new ATOM 0 HA LYS X 69 19.526 23.545 7.164 1.00 0.00 H new ATOM 0 HB2 LYS X 69 21.842 24.373 6.711 1.00 0.00 H new ATOM 0 HB3 LYS X 69 22.241 22.853 5.935 1.00 0.00 H new ATOM 0 HG2 LYS X 69 20.436 23.229 4.241 1.00 0.00 H new ATOM 0 HG3 LYS X 69 19.998 24.732 5.027 1.00 0.00 H new ATOM 0 HD2 LYS X 69 22.816 24.190 3.973 1.00 0.00 H new ATOM 0 HD3 LYS X 69 21.574 24.948 2.996 1.00 0.00 H new ATOM 0 HE2 LYS X 69 22.555 25.991 5.702 1.00 0.00 H new ATOM 0 HE3 LYS X 69 23.026 26.643 4.145 1.00 0.00 H new ATOM 0 HZ1 LYS X 69 21.260 27.993 4.696 1.00 0.00 H new ATOM 0 HZ2 LYS X 69 20.453 26.806 3.790 1.00 0.00 H new ATOM 0 HZ3 LYS X 69 20.400 26.760 5.486 1.00 0.00 H new ATOM 1029 N SER X 70 20.546 20.597 6.062 1.00 0.00 N ATOM 1030 CA SER X 70 20.107 19.416 5.329 1.00 0.00 C ATOM 1031 C SER X 70 18.855 18.823 5.969 1.00 0.00 C ATOM 1032 O SER X 70 17.907 18.453 5.276 1.00 0.00 O ATOM 1033 CB SER X 70 21.218 18.368 5.310 1.00 0.00 C ATOM 1034 OG SER X 70 20.767 17.216 4.612 1.00 0.00 O ATOM 0 H SER X 70 21.471 20.517 6.485 1.00 0.00 H new ATOM 0 HA SER X 70 19.873 19.713 4.307 1.00 0.00 H new ATOM 0 HB2 SER X 70 22.108 18.774 4.828 1.00 0.00 H new ATOM 0 HB3 SER X 70 21.500 18.102 6.329 1.00 0.00 H new ATOM 0 HG SER X 70 21.479 16.543 4.597 1.00 0.00 H new ATOM 1040 N ALA X 71 18.860 18.738 7.295 1.00 0.00 N ATOM 1041 CA ALA X 71 17.720 18.186 8.020 1.00 0.00 C ATOM 1042 C ALA X 71 16.577 19.194 8.069 1.00 0.00 C ATOM 1043 CB ALA X 71 18.136 17.815 9.446 1.00 0.00 C ATOM 0 H ALA X 71 19.634 19.041 7.886 1.00 0.00 H new ATOM 0 HA ALA X 71 17.380 17.292 7.497 1.00 0.00 H new ATOM 0 HB1 ALA X 71 17.279 17.404 9.980 1.00 0.00 H new ATOM 0 HB2 ALA X 71 18.932 17.072 9.411 1.00 0.00 H new ATOM 0 HB3 ALA X 71 18.493 18.705 9.964 1.00 0.00 H new TER 1049 ALA X 71