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 Set 1.1: X 32 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: X 36 SER OG : rot 180:sc= 0 USER MOD Single : X 1 GLY N :NH3+ -114:sc= 0.0961 (180deg=0) USER MOD Single : X 5 THR OG1 : rot 180:sc= 0 USER MOD Single : X 16 GLN : amide:sc= -0.0018 K(o=-0.0018,f=-1.5!) USER MOD Single : X 25 TYR OH : rot 180:sc= 0 USER MOD Single : X 27 ASN : amide:sc= -0.35 K(o=-0.35,f=-2.8!) 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 34 SER OG : rot 180:sc= 0 USER MOD Single : X 35 SER OG : rot 180:sc= -0.022 USER MOD Single : X 41 GLN : amide:sc= -0.018 K(o=-0.018,f=-1.5!) 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 147:sc= -0.0637 (180deg=-0.791) USER MOD Single : X 61 TYR OH : rot 120:sc= 0.136 USER MOD Single : X 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 70 SER OG : rot -36:sc= 0.201 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY X 1 28.142 -22.208 20.015 1.00 0.00 N ATOM 2 CA GLY X 1 27.456 -20.948 19.611 1.00 0.00 C ATOM 3 C GLY X 1 27.979 -19.792 20.456 1.00 0.00 C ATOM 4 O GLY X 1 28.559 -20.002 21.521 1.00 0.00 O ATOM 0 H1 GLY X 1 28.732 -22.549 19.230 1.00 0.00 H new ATOM 0 H2 GLY X 1 28.742 -22.026 20.845 1.00 0.00 H new ATOM 0 H3 GLY X 1 27.431 -22.929 20.253 1.00 0.00 H new ATOM 0 HA2 GLY X 1 27.632 -20.748 18.554 1.00 0.00 H new ATOM 0 HA3 GLY X 1 26.379 -21.050 19.742 1.00 0.00 H new ATOM 10 N GLY X 2 27.770 -18.570 19.974 1.00 0.00 N ATOM 11 CA GLY X 2 28.226 -17.390 20.698 1.00 0.00 C ATOM 12 C GLY X 2 29.743 -17.242 20.603 1.00 0.00 C ATOM 13 O GLY X 2 30.461 -17.474 21.577 1.00 0.00 O ATOM 0 H GLY X 2 27.293 -18.373 19.094 1.00 0.00 H new ATOM 0 HA2 GLY X 2 27.744 -16.501 20.292 1.00 0.00 H new ATOM 0 HA3 GLY X 2 27.929 -17.463 21.744 1.00 0.00 H new ATOM 17 N PRO X 3 30.237 -16.862 19.452 1.00 0.00 N ATOM 18 CA PRO X 3 31.697 -16.677 19.213 1.00 0.00 C ATOM 19 C PRO X 3 32.280 -15.587 20.099 1.00 0.00 C ATOM 20 O PRO X 3 31.595 -14.636 20.470 1.00 0.00 O ATOM 21 CB PRO X 3 31.789 -16.280 17.734 1.00 0.00 C ATOM 22 CG PRO X 3 30.491 -16.702 17.136 1.00 0.00 C ATOM 23 CD PRO X 3 29.464 -16.545 18.249 1.00 0.00 C ATOM 0 HA PRO X 3 32.264 -17.578 19.447 1.00 0.00 H new ATOM 0 HB2 PRO X 3 31.943 -15.207 17.623 1.00 0.00 H new ATOM 0 HB3 PRO X 3 32.628 -16.775 17.245 1.00 0.00 H new ATOM 0 HG2 PRO X 3 30.235 -16.084 16.275 1.00 0.00 H new ATOM 0 HG3 PRO X 3 30.536 -17.733 16.786 1.00 0.00 H new ATOM 0 HD2 PRO X 3 29.057 -15.534 18.284 1.00 0.00 H new ATOM 0 HD3 PRO X 3 28.621 -17.223 18.120 1.00 0.00 H new ATOM 31 N GLU X 4 33.550 -15.737 20.426 1.00 0.00 N ATOM 32 CA GLU X 4 34.241 -14.765 21.267 1.00 0.00 C ATOM 33 C GLU X 4 34.881 -13.665 20.420 1.00 0.00 C ATOM 34 O GLU X 4 35.530 -12.764 20.949 1.00 0.00 O ATOM 35 CB GLU X 4 35.322 -15.461 22.097 1.00 0.00 C ATOM 36 CG GLU X 4 34.667 -16.397 23.114 1.00 0.00 C ATOM 37 CD GLU X 4 35.735 -17.196 23.852 1.00 0.00 C ATOM 38 OE1 GLU X 4 36.885 -17.124 23.450 1.00 0.00 O ATOM 39 OE2 GLU X 4 35.386 -17.871 24.807 1.00 0.00 O ATOM 0 H GLU X 4 34.128 -16.521 20.124 1.00 0.00 H new ATOM 0 HA GLU X 4 33.505 -14.312 21.931 1.00 0.00 H new ATOM 0 HB2 GLU X 4 35.988 -16.026 21.445 1.00 0.00 H new ATOM 0 HB3 GLU X 4 35.933 -14.719 22.611 1.00 0.00 H new ATOM 0 HG2 GLU X 4 34.077 -15.819 23.825 1.00 0.00 H new ATOM 0 HG3 GLU X 4 33.980 -17.075 22.607 1.00 0.00 H new ATOM 46 N THR X 5 34.696 -13.744 19.106 1.00 0.00 N ATOM 47 CA THR X 5 35.260 -12.752 18.199 1.00 0.00 C ATOM 48 C THR X 5 34.188 -12.214 17.260 1.00 0.00 C ATOM 49 O THR X 5 33.152 -12.849 17.061 1.00 0.00 O ATOM 50 CB THR X 5 36.388 -13.380 17.378 1.00 0.00 C ATOM 51 OG1 THR X 5 35.868 -14.466 16.623 1.00 0.00 O ATOM 52 CG2 THR X 5 37.488 -13.882 18.313 1.00 0.00 C ATOM 0 H THR X 5 34.162 -14.482 18.647 1.00 0.00 H new ATOM 0 HA THR X 5 35.655 -11.927 18.792 1.00 0.00 H new ATOM 0 HB THR X 5 36.807 -12.634 16.703 1.00 0.00 H new ATOM 0 HG1 THR X 5 36.587 -14.871 16.094 1.00 0.00 H new ATOM 0 HG21 THR X 5 38.290 -14.329 17.725 1.00 0.00 H new ATOM 0 HG22 THR X 5 37.884 -13.047 18.891 1.00 0.00 H new ATOM 0 HG23 THR X 5 37.076 -14.629 18.991 1.00 0.00 H new ATOM 60 N LEU X 6 34.441 -11.044 16.688 1.00 0.00 N ATOM 61 CA LEU X 6 33.485 -10.434 15.772 1.00 0.00 C ATOM 62 C LEU X 6 34.096 -10.287 14.380 1.00 0.00 C ATOM 63 O LEU X 6 34.901 -9.389 14.139 1.00 0.00 O ATOM 64 CB LEU X 6 33.082 -9.059 16.300 1.00 0.00 C ATOM 65 CG LEU X 6 32.475 -9.199 17.698 1.00 0.00 C ATOM 66 CD1 LEU X 6 32.199 -7.810 18.272 1.00 0.00 C ATOM 67 CD2 LEU X 6 31.160 -9.979 17.612 1.00 0.00 C ATOM 0 H LEU X 6 35.292 -10.502 16.840 1.00 0.00 H new ATOM 0 HA LEU X 6 32.606 -11.075 15.702 1.00 0.00 H new ATOM 0 HB2 LEU X 6 33.952 -8.403 16.335 1.00 0.00 H new ATOM 0 HB3 LEU X 6 32.362 -8.597 15.625 1.00 0.00 H new ATOM 0 HG LEU X 6 33.173 -9.732 18.343 1.00 0.00 H new ATOM 0 HD11 LEU X 6 31.767 -7.907 19.268 1.00 0.00 H new ATOM 0 HD12 LEU X 6 33.132 -7.250 18.335 1.00 0.00 H new ATOM 0 HD13 LEU X 6 31.501 -7.280 17.623 1.00 0.00 H new ATOM 0 HD21 LEU X 6 30.730 -10.078 18.609 1.00 0.00 H new ATOM 0 HD22 LEU X 6 30.462 -9.446 16.966 1.00 0.00 H new ATOM 0 HD23 LEU X 6 31.351 -10.970 17.200 1.00 0.00 H new ATOM 79 N CYS X 7 33.708 -11.174 13.470 1.00 0.00 N ATOM 80 CA CYS X 7 34.222 -11.131 12.108 1.00 0.00 C ATOM 81 C CYS X 7 33.100 -11.366 11.101 1.00 0.00 C ATOM 82 O CYS X 7 32.053 -11.914 11.445 1.00 0.00 O ATOM 83 CB CYS X 7 35.306 -12.195 11.933 1.00 0.00 C ATOM 84 SG CYS X 7 36.657 -11.875 13.096 1.00 0.00 S ATOM 0 H CYS X 7 33.043 -11.927 13.650 1.00 0.00 H new ATOM 0 HA CYS X 7 34.648 -10.144 11.928 1.00 0.00 H new ATOM 0 HB2 CYS X 7 34.889 -13.187 12.107 1.00 0.00 H new ATOM 0 HB3 CYS X 7 35.682 -12.182 10.910 1.00 0.00 H new ATOM 89 N GLY X 8 33.328 -10.960 9.855 1.00 0.00 N ATOM 90 CA GLY X 8 32.331 -11.146 8.809 1.00 0.00 C ATOM 91 C GLY X 8 31.175 -10.162 8.959 1.00 0.00 C ATOM 92 O GLY X 8 31.361 -9.034 9.415 1.00 0.00 O ATOM 0 H GLY X 8 34.187 -10.504 9.548 1.00 0.00 H new ATOM 0 HA2 GLY X 8 32.797 -11.015 7.833 1.00 0.00 H new ATOM 0 HA3 GLY X 8 31.949 -12.166 8.846 1.00 0.00 H new ATOM 96 N ALA X 9 29.986 -10.600 8.560 1.00 0.00 N ATOM 97 CA ALA X 9 28.797 -9.760 8.641 1.00 0.00 C ATOM 98 C ALA X 9 28.520 -9.357 10.084 1.00 0.00 C ATOM 99 O ALA X 9 28.040 -8.255 10.347 1.00 0.00 O ATOM 100 CB ALA X 9 27.584 -10.496 8.070 1.00 0.00 C ATOM 0 H ALA X 9 29.820 -11.531 8.178 1.00 0.00 H new ATOM 0 HA ALA X 9 28.978 -8.860 8.053 1.00 0.00 H new ATOM 0 HB1 ALA X 9 26.705 -9.855 8.138 1.00 0.00 H new ATOM 0 HB2 ALA X 9 27.770 -10.748 7.026 1.00 0.00 H new ATOM 0 HB3 ALA X 9 27.412 -11.410 8.639 1.00 0.00 H new ATOM 106 N GLU X 10 28.809 -10.258 11.016 1.00 0.00 N ATOM 107 CA GLU X 10 28.568 -9.981 12.426 1.00 0.00 C ATOM 108 C GLU X 10 29.298 -8.711 12.848 1.00 0.00 C ATOM 109 O GLU X 10 28.717 -7.839 13.497 1.00 0.00 O ATOM 110 CB GLU X 10 29.068 -11.156 13.268 1.00 0.00 C ATOM 111 CG GLU X 10 28.858 -10.859 14.755 1.00 0.00 C ATOM 112 CD GLU X 10 27.374 -10.676 15.044 1.00 0.00 C ATOM 113 OE1 GLU X 10 26.575 -11.158 14.260 1.00 0.00 O ATOM 114 OE2 GLU X 10 27.058 -10.054 16.045 1.00 0.00 O ATOM 0 H GLU X 10 29.206 -11.177 10.823 1.00 0.00 H new ATOM 0 HA GLU X 10 27.498 -9.843 12.581 1.00 0.00 H new ATOM 0 HB2 GLU X 10 28.535 -12.066 12.991 1.00 0.00 H new ATOM 0 HB3 GLU X 10 30.125 -11.333 13.069 1.00 0.00 H new ATOM 0 HG2 GLU X 10 29.256 -11.675 15.357 1.00 0.00 H new ATOM 0 HG3 GLU X 10 29.405 -9.959 15.036 1.00 0.00 H new ATOM 121 N LEU X 11 30.561 -8.601 12.467 1.00 0.00 N ATOM 122 CA LEU X 11 31.342 -7.419 12.809 1.00 0.00 C ATOM 123 C LEU X 11 30.752 -6.181 12.140 1.00 0.00 C ATOM 124 O LEU X 11 30.675 -5.113 12.744 1.00 0.00 O ATOM 125 CB LEU X 11 32.794 -7.599 12.372 1.00 0.00 C ATOM 126 CG LEU X 11 33.606 -6.353 12.736 1.00 0.00 C ATOM 127 CD1 LEU X 11 33.609 -6.149 14.253 1.00 0.00 C ATOM 128 CD2 LEU X 11 35.041 -6.532 12.244 1.00 0.00 C ATOM 0 H LEU X 11 31.064 -9.305 11.927 1.00 0.00 H new ATOM 0 HA LEU X 11 31.310 -7.286 13.890 1.00 0.00 H new ATOM 0 HB2 LEU X 11 33.222 -8.477 12.856 1.00 0.00 H new ATOM 0 HB3 LEU X 11 32.840 -7.773 11.297 1.00 0.00 H new ATOM 0 HG LEU X 11 33.156 -5.480 12.264 1.00 0.00 H new ATOM 0 HD11 LEU X 11 34.190 -5.260 14.499 1.00 0.00 H new ATOM 0 HD12 LEU X 11 32.585 -6.023 14.605 1.00 0.00 H new ATOM 0 HD13 LEU X 11 34.054 -7.019 14.736 1.00 0.00 H new ATOM 0 HD21 LEU X 11 35.626 -5.649 12.499 1.00 0.00 H new ATOM 0 HD22 LEU X 11 35.482 -7.409 12.719 1.00 0.00 H new ATOM 0 HD23 LEU X 11 35.041 -6.667 11.162 1.00 0.00 H new ATOM 140 N VAL X 12 30.342 -6.337 10.886 1.00 0.00 N ATOM 141 CA VAL X 12 29.765 -5.224 10.139 1.00 0.00 C ATOM 142 C VAL X 12 28.520 -4.693 10.836 1.00 0.00 C ATOM 143 O VAL X 12 28.331 -3.484 10.957 1.00 0.00 O ATOM 144 CB VAL X 12 29.416 -5.675 8.722 1.00 0.00 C ATOM 145 CG1 VAL X 12 28.528 -4.628 8.049 1.00 0.00 C ATOM 146 CG2 VAL X 12 30.709 -5.815 7.914 1.00 0.00 C ATOM 0 H VAL X 12 30.397 -7.214 10.369 1.00 0.00 H new ATOM 0 HA VAL X 12 30.501 -4.422 10.091 1.00 0.00 H new ATOM 0 HB VAL X 12 28.888 -6.628 8.765 1.00 0.00 H new ATOM 0 HG11 VAL X 12 28.282 -4.955 7.039 1.00 0.00 H new ATOM 0 HG12 VAL X 12 27.610 -4.505 8.624 1.00 0.00 H new ATOM 0 HG13 VAL X 12 29.058 -3.676 8.004 1.00 0.00 H new ATOM 0 HG21 VAL X 12 30.471 -6.137 6.900 1.00 0.00 H new ATOM 0 HG22 VAL X 12 31.222 -4.854 7.879 1.00 0.00 H new ATOM 0 HG23 VAL X 12 31.355 -6.554 8.387 1.00 0.00 H new ATOM 156 N ASP X 13 27.676 -5.610 11.294 1.00 0.00 N ATOM 157 CA ASP X 13 26.450 -5.231 11.981 1.00 0.00 C ATOM 158 C ASP X 13 26.772 -4.438 13.244 1.00 0.00 C ATOM 159 O ASP X 13 26.109 -3.446 13.551 1.00 0.00 O ATOM 160 CB ASP X 13 25.654 -6.485 12.353 1.00 0.00 C ATOM 161 CG ASP X 13 24.310 -6.096 12.962 1.00 0.00 C ATOM 162 OD1 ASP X 13 24.082 -4.912 13.145 1.00 0.00 O ATOM 163 OD2 ASP X 13 23.528 -6.990 13.238 1.00 0.00 O ATOM 0 H ASP X 13 27.818 -6.616 11.202 1.00 0.00 H new ATOM 0 HA ASP X 13 25.855 -4.607 11.314 1.00 0.00 H new ATOM 0 HB2 ASP X 13 25.495 -7.100 11.467 1.00 0.00 H new ATOM 0 HB3 ASP X 13 26.222 -7.088 13.062 1.00 0.00 H new ATOM 168 N ALA X 14 27.791 -4.881 13.975 1.00 0.00 N ATOM 169 CA ALA X 14 28.181 -4.201 15.204 1.00 0.00 C ATOM 170 C ALA X 14 28.602 -2.765 14.916 1.00 0.00 C ATOM 171 O ALA X 14 28.269 -1.851 15.672 1.00 0.00 O ATOM 172 CB ALA X 14 29.340 -4.944 15.872 1.00 0.00 C ATOM 0 H ALA X 14 28.355 -5.698 13.741 1.00 0.00 H new ATOM 0 HA ALA X 14 27.320 -4.190 15.873 1.00 0.00 H new ATOM 0 HB1 ALA X 14 29.623 -4.427 16.789 1.00 0.00 H new ATOM 0 HB2 ALA X 14 29.031 -5.962 16.110 1.00 0.00 H new ATOM 0 HB3 ALA X 14 30.193 -4.973 15.194 1.00 0.00 H new ATOM 178 N LEU X 15 29.333 -2.571 13.820 1.00 0.00 N ATOM 179 CA LEU X 15 29.787 -1.234 13.451 1.00 0.00 C ATOM 180 C LEU X 15 28.599 -0.321 13.188 1.00 0.00 C ATOM 181 O LEU X 15 28.578 0.828 13.628 1.00 0.00 O ATOM 182 CB LEU X 15 30.658 -1.310 12.193 1.00 0.00 C ATOM 183 CG LEU X 15 32.004 -1.953 12.530 1.00 0.00 C ATOM 184 CD1 LEU X 15 32.743 -2.304 11.234 1.00 0.00 C ATOM 185 CD2 LEU X 15 32.849 -0.967 13.343 1.00 0.00 C ATOM 0 H LEU X 15 29.620 -3.312 13.180 1.00 0.00 H new ATOM 0 HA LEU X 15 30.370 -0.827 14.277 1.00 0.00 H new ATOM 0 HB2 LEU X 15 30.150 -1.891 11.423 1.00 0.00 H new ATOM 0 HB3 LEU X 15 30.814 -0.310 11.787 1.00 0.00 H new ATOM 0 HG LEU X 15 31.837 -2.860 13.111 1.00 0.00 H new ATOM 0 HD11 LEU X 15 33.702 -2.762 11.475 1.00 0.00 H new ATOM 0 HD12 LEU X 15 32.143 -3.003 10.651 1.00 0.00 H new ATOM 0 HD13 LEU X 15 32.910 -1.397 10.653 1.00 0.00 H new ATOM 0 HD21 LEU X 15 33.809 -1.423 13.584 1.00 0.00 H new ATOM 0 HD22 LEU X 15 33.014 -0.062 12.759 1.00 0.00 H new ATOM 0 HD23 LEU X 15 32.326 -0.713 14.265 1.00 0.00 H new ATOM 197 N GLN X 16 27.604 -0.842 12.477 1.00 0.00 N ATOM 198 CA GLN X 16 26.414 -0.061 12.175 1.00 0.00 C ATOM 199 C GLN X 16 25.650 0.251 13.457 1.00 0.00 C ATOM 200 O GLN X 16 25.160 1.355 13.639 1.00 0.00 O ATOM 201 CB GLN X 16 25.508 -0.826 11.210 1.00 0.00 C ATOM 202 CG GLN X 16 24.341 0.070 10.796 1.00 0.00 C ATOM 203 CD GLN X 16 23.485 -0.643 9.755 1.00 0.00 C ATOM 204 OE1 GLN X 16 23.853 -1.717 9.280 1.00 0.00 O ATOM 205 NE2 GLN X 16 22.359 -0.107 9.370 1.00 0.00 N ATOM 0 H GLN X 16 27.599 -1.791 12.104 1.00 0.00 H new ATOM 0 HA GLN X 16 26.724 0.873 11.707 1.00 0.00 H new ATOM 0 HB2 GLN X 16 26.073 -1.136 10.331 1.00 0.00 H new ATOM 0 HB3 GLN X 16 25.134 -1.733 11.685 1.00 0.00 H new ATOM 0 HG2 GLN X 16 23.736 0.320 11.668 1.00 0.00 H new ATOM 0 HG3 GLN X 16 24.718 1.008 10.389 1.00 0.00 H new ATOM 0 HE21 GLN X 16 22.056 0.783 9.765 1.00 0.00 H new ATOM 0 HE22 GLN X 16 21.782 -0.578 8.674 1.00 0.00 H new ATOM 214 N PHE X 17 25.561 -0.733 14.342 1.00 0.00 N ATOM 215 CA PHE X 17 24.864 -0.555 15.613 1.00 0.00 C ATOM 216 C PHE X 17 25.507 0.540 16.460 1.00 0.00 C ATOM 217 O PHE X 17 24.820 1.419 16.978 1.00 0.00 O ATOM 218 CB PHE X 17 24.888 -1.864 16.405 1.00 0.00 C ATOM 219 CG PHE X 17 24.401 -1.613 17.814 1.00 0.00 C ATOM 220 CD1 PHE X 17 23.029 -1.621 18.101 1.00 0.00 C ATOM 221 CD2 PHE X 17 25.328 -1.363 18.835 1.00 0.00 C ATOM 222 CE1 PHE X 17 22.587 -1.385 19.410 1.00 0.00 C ATOM 223 CE2 PHE X 17 24.885 -1.125 20.141 1.00 0.00 C ATOM 224 CZ PHE X 17 23.516 -1.137 20.430 1.00 0.00 C ATOM 0 H PHE X 17 25.961 -1.661 14.206 1.00 0.00 H new ATOM 0 HA PHE X 17 23.839 -0.263 15.386 1.00 0.00 H new ATOM 0 HB2 PHE X 17 24.256 -2.607 15.918 1.00 0.00 H new ATOM 0 HB3 PHE X 17 25.899 -2.270 16.426 1.00 0.00 H new ATOM 0 HD1 PHE X 17 22.313 -1.809 17.314 1.00 0.00 H new ATOM 0 HD2 PHE X 17 26.385 -1.354 18.614 1.00 0.00 H new ATOM 0 HE1 PHE X 17 21.530 -1.394 19.633 1.00 0.00 H new ATOM 0 HE2 PHE X 17 25.601 -0.932 20.927 1.00 0.00 H new ATOM 0 HZ PHE X 17 23.175 -0.955 21.439 1.00 0.00 H new ATOM 234 N VAL X 18 26.823 0.458 16.623 1.00 0.00 N ATOM 235 CA VAL X 18 27.542 1.427 17.439 1.00 0.00 C ATOM 236 C VAL X 18 27.421 2.830 16.856 1.00 0.00 C ATOM 237 O VAL X 18 27.111 3.787 17.567 1.00 0.00 O ATOM 238 CB VAL X 18 29.016 1.035 17.519 1.00 0.00 C ATOM 239 CG1 VAL X 18 29.796 2.130 18.242 1.00 0.00 C ATOM 240 CG2 VAL X 18 29.160 -0.284 18.283 1.00 0.00 C ATOM 0 H VAL X 18 27.409 -0.264 16.204 1.00 0.00 H new ATOM 0 HA VAL X 18 27.103 1.429 18.437 1.00 0.00 H new ATOM 0 HB VAL X 18 29.411 0.912 16.510 1.00 0.00 H new ATOM 0 HG11 VAL X 18 30.848 1.850 18.299 1.00 0.00 H new ATOM 0 HG12 VAL X 18 29.699 3.068 17.695 1.00 0.00 H new ATOM 0 HG13 VAL X 18 29.399 2.255 19.249 1.00 0.00 H new ATOM 0 HG21 VAL X 18 30.213 -0.560 18.338 1.00 0.00 H new ATOM 0 HG22 VAL X 18 28.763 -0.166 19.291 1.00 0.00 H new ATOM 0 HG23 VAL X 18 28.606 -1.067 17.765 1.00 0.00 H new ATOM 250 N CYS X 19 27.667 2.945 15.557 1.00 0.00 N ATOM 251 CA CYS X 19 27.586 4.232 14.879 1.00 0.00 C ATOM 252 C CYS X 19 26.140 4.720 14.847 1.00 0.00 C ATOM 253 O CYS X 19 25.869 5.914 14.974 1.00 0.00 O ATOM 254 CB CYS X 19 28.114 4.111 13.448 1.00 0.00 C ATOM 255 SG CYS X 19 29.896 3.760 13.463 1.00 0.00 S ATOM 0 H CYS X 19 27.924 2.164 14.953 1.00 0.00 H new ATOM 0 HA CYS X 19 28.196 4.950 15.427 1.00 0.00 H new ATOM 0 HB2 CYS X 19 27.584 3.316 12.923 1.00 0.00 H new ATOM 0 HB3 CYS X 19 27.923 5.035 12.903 1.00 0.00 H new ATOM 260 N GLY X 20 25.221 3.789 14.659 1.00 0.00 N ATOM 261 CA GLY X 20 23.809 4.127 14.591 1.00 0.00 C ATOM 262 C GLY X 20 23.533 5.039 13.403 1.00 0.00 C ATOM 263 O GLY X 20 23.939 4.745 12.279 1.00 0.00 O ATOM 0 H GLY X 20 25.426 2.796 14.551 1.00 0.00 H new ATOM 0 HA2 GLY X 20 23.215 3.217 14.503 1.00 0.00 H new ATOM 0 HA3 GLY X 20 23.503 4.620 15.514 1.00 0.00 H new ATOM 267 N ASP X 21 22.843 6.140 13.660 1.00 0.00 N ATOM 268 CA ASP X 21 22.507 7.086 12.604 1.00 0.00 C ATOM 269 C ASP X 21 23.773 7.611 11.934 1.00 0.00 C ATOM 270 O ASP X 21 23.771 7.920 10.742 1.00 0.00 O ATOM 271 CB ASP X 21 21.708 8.259 13.179 1.00 0.00 C ATOM 272 CG ASP X 21 20.304 7.798 13.559 1.00 0.00 C ATOM 273 OD1 ASP X 21 19.929 6.709 13.158 1.00 0.00 O ATOM 274 OD2 ASP X 21 19.622 8.544 14.243 1.00 0.00 O ATOM 0 H ASP X 21 22.505 6.401 14.587 1.00 0.00 H new ATOM 0 HA ASP X 21 21.901 6.568 11.861 1.00 0.00 H new ATOM 0 HB2 ASP X 21 22.217 8.662 14.055 1.00 0.00 H new ATOM 0 HB3 ASP X 21 21.650 9.064 12.446 1.00 0.00 H new ATOM 279 N ARG X 22 24.847 7.717 12.708 1.00 0.00 N ATOM 280 CA ARG X 22 26.109 8.214 12.172 1.00 0.00 C ATOM 281 C ARG X 22 26.619 7.301 11.059 1.00 0.00 C ATOM 282 O ARG X 22 27.150 7.772 10.053 1.00 0.00 O ATOM 283 CB ARG X 22 27.151 8.275 13.288 1.00 0.00 C ATOM 284 CG ARG X 22 26.762 9.362 14.291 1.00 0.00 C ATOM 285 CD ARG X 22 27.897 9.560 15.294 1.00 0.00 C ATOM 286 NE ARG X 22 28.093 8.342 16.072 1.00 0.00 N ATOM 287 CZ ARG X 22 27.344 8.058 17.139 1.00 0.00 C ATOM 288 NH1 ARG X 22 26.385 8.861 17.521 1.00 0.00 N ATOM 289 NH2 ARG X 22 27.568 6.962 17.806 1.00 0.00 N ATOM 0 H ARG X 22 24.871 7.469 13.697 1.00 0.00 H new ATOM 0 HA ARG X 22 25.942 9.210 11.763 1.00 0.00 H new ATOM 0 HB2 ARG X 22 27.219 7.310 13.790 1.00 0.00 H new ATOM 0 HB3 ARG X 22 28.135 8.487 12.870 1.00 0.00 H new ATOM 0 HG2 ARG X 22 26.557 10.297 13.769 1.00 0.00 H new ATOM 0 HG3 ARG X 22 25.847 9.080 14.812 1.00 0.00 H new ATOM 0 HD2 ARG X 22 28.817 9.818 14.769 1.00 0.00 H new ATOM 0 HD3 ARG X 22 27.665 10.392 15.958 1.00 0.00 H new ATOM 0 HE ARG X 22 28.824 7.688 15.792 1.00 0.00 H new ATOM 0 HH11 ARG X 22 26.201 9.719 17.001 1.00 0.00 H new ATOM 0 HH12 ARG X 22 25.821 8.629 18.339 1.00 0.00 H new ATOM 0 HH21 ARG X 22 28.311 6.329 17.511 1.00 0.00 H new ATOM 0 HH22 ARG X 22 27.000 6.737 18.623 1.00 0.00 H new ATOM 303 N GLY X 23 26.461 5.993 11.247 1.00 0.00 N ATOM 304 CA GLY X 23 26.915 5.026 10.248 1.00 0.00 C ATOM 305 C GLY X 23 28.441 4.958 10.210 1.00 0.00 C ATOM 306 O GLY X 23 29.120 5.551 11.045 1.00 0.00 O ATOM 0 H GLY X 23 26.027 5.580 12.073 1.00 0.00 H new ATOM 0 HA2 GLY X 23 26.509 4.041 10.478 1.00 0.00 H new ATOM 0 HA3 GLY X 23 26.535 5.306 9.266 1.00 0.00 H new ATOM 310 N PHE X 24 28.977 4.243 9.226 1.00 0.00 N ATOM 311 CA PHE X 24 30.427 4.120 9.085 1.00 0.00 C ATOM 312 C PHE X 24 30.797 3.853 7.628 1.00 0.00 C ATOM 313 O PHE X 24 29.955 3.444 6.829 1.00 0.00 O ATOM 314 CB PHE X 24 30.950 2.989 9.973 1.00 0.00 C ATOM 315 CG PHE X 24 30.434 1.671 9.467 1.00 0.00 C ATOM 316 CD1 PHE X 24 31.239 0.875 8.644 1.00 0.00 C ATOM 317 CD2 PHE X 24 29.145 1.250 9.809 1.00 0.00 C ATOM 318 CE1 PHE X 24 30.755 -0.346 8.167 1.00 0.00 C ATOM 319 CE2 PHE X 24 28.661 0.028 9.331 1.00 0.00 C ATOM 320 CZ PHE X 24 29.466 -0.770 8.509 1.00 0.00 C ATOM 0 H PHE X 24 28.437 3.744 8.520 1.00 0.00 H new ATOM 0 HA PHE X 24 30.887 5.057 9.398 1.00 0.00 H new ATOM 0 HB2 PHE X 24 32.040 2.988 9.974 1.00 0.00 H new ATOM 0 HB3 PHE X 24 30.631 3.145 11.003 1.00 0.00 H new ATOM 0 HD1 PHE X 24 32.233 1.204 8.378 1.00 0.00 H new ATOM 0 HD2 PHE X 24 28.524 1.868 10.441 1.00 0.00 H new ATOM 0 HE1 PHE X 24 31.376 -0.963 7.534 1.00 0.00 H new ATOM 0 HE2 PHE X 24 27.667 -0.300 9.596 1.00 0.00 H new ATOM 0 HZ PHE X 24 29.092 -1.713 8.139 1.00 0.00 H new ATOM 330 N TYR X 25 32.060 4.090 7.287 1.00 0.00 N ATOM 331 CA TYR X 25 32.523 3.874 5.922 1.00 0.00 C ATOM 332 C TYR X 25 33.986 3.446 5.920 1.00 0.00 C ATOM 333 O TYR X 25 34.673 3.549 6.934 1.00 0.00 O ATOM 334 CB TYR X 25 32.371 5.155 5.096 1.00 0.00 C ATOM 335 CG TYR X 25 33.373 6.181 5.568 1.00 0.00 C ATOM 336 CD1 TYR X 25 34.636 6.247 4.966 1.00 0.00 C ATOM 337 CD2 TYR X 25 33.046 7.063 6.605 1.00 0.00 C ATOM 338 CE1 TYR X 25 35.571 7.190 5.401 1.00 0.00 C ATOM 339 CE2 TYR X 25 33.981 8.009 7.039 1.00 0.00 C ATOM 340 CZ TYR X 25 35.244 8.073 6.437 1.00 0.00 C ATOM 341 OH TYR X 25 36.166 9.005 6.865 1.00 0.00 O ATOM 0 H TYR X 25 32.775 4.429 7.931 1.00 0.00 H new ATOM 0 HA TYR X 25 31.915 3.086 5.478 1.00 0.00 H new ATOM 0 HB2 TYR X 25 32.526 4.939 4.039 1.00 0.00 H new ATOM 0 HB3 TYR X 25 31.359 5.547 5.196 1.00 0.00 H new ATOM 0 HD1 TYR X 25 34.888 5.568 4.165 1.00 0.00 H new ATOM 0 HD2 TYR X 25 32.072 7.013 7.070 1.00 0.00 H new ATOM 0 HE1 TYR X 25 36.546 7.238 4.938 1.00 0.00 H new ATOM 0 HE2 TYR X 25 33.729 8.690 7.838 1.00 0.00 H new ATOM 0 HH TYR X 25 35.779 9.539 7.590 1.00 0.00 H new ATOM 351 N PHE X 26 34.454 2.966 4.773 1.00 0.00 N ATOM 352 CA PHE X 26 35.838 2.526 4.651 1.00 0.00 C ATOM 353 C PHE X 26 36.615 3.439 3.707 1.00 0.00 C ATOM 354 O PHE X 26 36.089 3.891 2.690 1.00 0.00 O ATOM 355 CB PHE X 26 35.884 1.090 4.126 1.00 0.00 C ATOM 356 CG PHE X 26 35.221 0.165 5.118 1.00 0.00 C ATOM 357 CD1 PHE X 26 33.860 -0.143 4.989 1.00 0.00 C ATOM 358 CD2 PHE X 26 35.966 -0.388 6.166 1.00 0.00 C ATOM 359 CE1 PHE X 26 33.248 -1.003 5.907 1.00 0.00 C ATOM 360 CE2 PHE X 26 35.352 -1.248 7.084 1.00 0.00 C ATOM 361 CZ PHE X 26 33.993 -1.555 6.955 1.00 0.00 C ATOM 0 H PHE X 26 33.900 2.872 3.921 1.00 0.00 H new ATOM 0 HA PHE X 26 36.299 2.569 5.638 1.00 0.00 H new ATOM 0 HB2 PHE X 26 35.378 1.028 3.162 1.00 0.00 H new ATOM 0 HB3 PHE X 26 36.918 0.785 3.964 1.00 0.00 H new ATOM 0 HD1 PHE X 26 33.284 0.283 4.181 1.00 0.00 H new ATOM 0 HD2 PHE X 26 37.015 -0.151 6.266 1.00 0.00 H new ATOM 0 HE1 PHE X 26 32.199 -1.241 5.807 1.00 0.00 H new ATOM 0 HE2 PHE X 26 35.927 -1.675 7.892 1.00 0.00 H new ATOM 0 HZ PHE X 26 33.519 -2.218 7.664 1.00 0.00 H new ATOM 371 N ASN X 27 37.871 3.703 4.052 1.00 0.00 N ATOM 372 CA ASN X 27 38.720 4.561 3.232 1.00 0.00 C ATOM 373 C ASN X 27 39.089 3.863 1.928 1.00 0.00 C ATOM 374 O ASN X 27 39.213 2.639 1.879 1.00 0.00 O ATOM 375 CB ASN X 27 39.995 4.921 3.998 1.00 0.00 C ATOM 376 CG ASN X 27 39.665 5.875 5.140 1.00 0.00 C ATOM 377 OD1 ASN X 27 38.641 6.557 5.105 1.00 0.00 O ATOM 378 ND2 ASN X 27 40.474 5.960 6.161 1.00 0.00 N ATOM 0 H ASN X 27 38.322 3.337 4.890 1.00 0.00 H new ATOM 0 HA ASN X 27 38.166 5.471 3.000 1.00 0.00 H new ATOM 0 HB2 ASN X 27 40.460 4.017 4.391 1.00 0.00 H new ATOM 0 HB3 ASN X 27 40.716 5.383 3.324 1.00 0.00 H new ATOM 0 HD21 ASN X 27 40.258 6.592 6.932 1.00 0.00 H new ATOM 0 HD22 ASN X 27 41.322 5.394 6.188 1.00 0.00 H new ATOM 385 N LYS X 28 39.260 4.651 0.872 1.00 0.00 N ATOM 386 CA LYS X 28 39.612 4.099 -0.432 1.00 0.00 C ATOM 387 C LYS X 28 38.682 2.945 -0.798 1.00 0.00 C ATOM 388 O LYS X 28 39.120 1.808 -0.962 1.00 0.00 O ATOM 389 CB LYS X 28 41.060 3.608 -0.416 1.00 0.00 C ATOM 390 CG LYS X 28 41.988 4.777 -0.081 1.00 0.00 C ATOM 391 CD LYS X 28 43.445 4.320 -0.172 1.00 0.00 C ATOM 392 CE LYS X 28 43.754 3.359 0.979 1.00 0.00 C ATOM 393 NZ LYS X 28 45.196 2.987 0.939 1.00 0.00 N ATOM 0 H LYS X 28 39.162 5.666 0.892 1.00 0.00 H new ATOM 0 HA LYS X 28 39.503 4.885 -1.179 1.00 0.00 H new ATOM 0 HB2 LYS X 28 41.178 2.813 0.320 1.00 0.00 H new ATOM 0 HB3 LYS X 28 41.324 3.186 -1.386 1.00 0.00 H new ATOM 0 HG2 LYS X 28 41.812 5.603 -0.770 1.00 0.00 H new ATOM 0 HG3 LYS X 28 41.775 5.148 0.922 1.00 0.00 H new ATOM 0 HD2 LYS X 28 43.623 3.828 -1.128 1.00 0.00 H new ATOM 0 HD3 LYS X 28 44.111 5.182 -0.128 1.00 0.00 H new ATOM 0 HE2 LYS X 28 43.514 3.828 1.933 1.00 0.00 H new ATOM 0 HE3 LYS X 28 43.134 2.466 0.898 1.00 0.00 H new ATOM 0 HZ1 LYS X 28 45.408 2.334 1.720 1.00 0.00 H new ATOM 0 HZ2 LYS X 28 45.410 2.524 0.033 1.00 0.00 H new ATOM 0 HZ3 LYS X 28 45.778 3.843 1.036 1.00 0.00 H new ATOM 407 N PRO X 29 37.411 3.219 -0.921 1.00 0.00 N ATOM 408 CA PRO X 29 36.395 2.184 -1.269 1.00 0.00 C ATOM 409 C PRO X 29 36.591 1.633 -2.680 1.00 0.00 C ATOM 410 O PRO X 29 36.163 0.522 -2.988 1.00 0.00 O ATOM 411 CB PRO X 29 35.062 2.929 -1.150 1.00 0.00 C ATOM 412 CG PRO X 29 35.397 4.372 -1.312 1.00 0.00 C ATOM 413 CD PRO X 29 36.804 4.547 -0.752 1.00 0.00 C ATOM 0 HA PRO X 29 36.460 1.313 -0.617 1.00 0.00 H new ATOM 0 HB2 PRO X 29 34.359 2.601 -1.916 1.00 0.00 H new ATOM 0 HB3 PRO X 29 34.592 2.741 -0.185 1.00 0.00 H new ATOM 0 HG2 PRO X 29 35.356 4.666 -2.361 1.00 0.00 H new ATOM 0 HG3 PRO X 29 34.684 5.000 -0.777 1.00 0.00 H new ATOM 0 HD2 PRO X 29 37.359 5.313 -1.294 1.00 0.00 H new ATOM 0 HD3 PRO X 29 36.784 4.848 0.295 1.00 0.00 H new ATOM 421 N THR X 30 37.240 2.421 -3.532 1.00 0.00 N ATOM 422 CA THR X 30 37.481 2.004 -4.909 1.00 0.00 C ATOM 423 C THR X 30 38.495 0.868 -4.961 1.00 0.00 C ATOM 424 O THR X 30 38.460 0.031 -5.863 1.00 0.00 O ATOM 425 CB THR X 30 37.995 3.189 -5.732 1.00 0.00 C ATOM 426 OG1 THR X 30 39.209 3.665 -5.167 1.00 0.00 O ATOM 427 CG2 THR X 30 36.953 4.308 -5.721 1.00 0.00 C ATOM 0 H THR X 30 37.605 3.344 -3.296 1.00 0.00 H new ATOM 0 HA THR X 30 36.539 1.650 -5.329 1.00 0.00 H new ATOM 0 HB THR X 30 38.172 2.870 -6.759 1.00 0.00 H new ATOM 0 HG1 THR X 30 39.540 4.422 -5.694 1.00 0.00 H new ATOM 0 HG21 THR X 30 37.319 5.151 -6.307 1.00 0.00 H new ATOM 0 HG22 THR X 30 36.022 3.942 -6.154 1.00 0.00 H new ATOM 0 HG23 THR X 30 36.775 4.629 -4.695 1.00 0.00 H new ATOM 435 N GLY X 31 39.385 0.843 -3.984 1.00 0.00 N ATOM 436 CA GLY X 31 40.401 -0.197 -3.912 1.00 0.00 C ATOM 437 C GLY X 31 40.221 -1.058 -2.663 1.00 0.00 C ATOM 438 O GLY X 31 41.027 -1.949 -2.393 1.00 0.00 O ATOM 0 H GLY X 31 39.426 1.529 -3.230 1.00 0.00 H new ATOM 0 HA2 GLY X 31 40.346 -0.825 -4.801 1.00 0.00 H new ATOM 0 HA3 GLY X 31 41.391 0.258 -3.904 1.00 0.00 H new ATOM 442 N TYR X 32 39.165 -0.786 -1.901 1.00 0.00 N ATOM 443 CA TYR X 32 38.906 -1.541 -0.684 1.00 0.00 C ATOM 444 C TYR X 32 38.616 -3.004 -1.016 1.00 0.00 C ATOM 445 O TYR X 32 37.806 -3.302 -1.895 1.00 0.00 O ATOM 446 CB TYR X 32 37.722 -0.928 0.065 1.00 0.00 C ATOM 447 CG TYR X 32 37.462 -1.711 1.328 1.00 0.00 C ATOM 448 CD1 TYR X 32 38.360 -1.625 2.398 1.00 0.00 C ATOM 449 CD2 TYR X 32 36.322 -2.516 1.433 1.00 0.00 C ATOM 450 CE1 TYR X 32 38.120 -2.346 3.573 1.00 0.00 C ATOM 451 CE2 TYR X 32 36.081 -3.237 2.608 1.00 0.00 C ATOM 452 CZ TYR X 32 36.981 -3.153 3.678 1.00 0.00 C ATOM 453 OH TYR X 32 36.745 -3.865 4.837 1.00 0.00 O ATOM 0 H TYR X 32 38.482 -0.056 -2.104 1.00 0.00 H new ATOM 0 HA TYR X 32 39.791 -1.498 -0.049 1.00 0.00 H new ATOM 0 HB2 TYR X 32 37.932 0.114 0.308 1.00 0.00 H new ATOM 0 HB3 TYR X 32 36.835 -0.935 -0.568 1.00 0.00 H new ATOM 0 HD1 TYR X 32 39.238 -1.002 2.317 1.00 0.00 H new ATOM 0 HD2 TYR X 32 35.629 -2.581 0.608 1.00 0.00 H new ATOM 0 HE1 TYR X 32 38.813 -2.280 4.399 1.00 0.00 H new ATOM 0 HE2 TYR X 32 35.201 -3.858 2.690 1.00 0.00 H new ATOM 0 HH TYR X 32 35.912 -4.373 4.745 1.00 0.00 H new ATOM 463 N GLY X 33 39.283 -3.912 -0.309 1.00 0.00 N ATOM 464 CA GLY X 33 39.088 -5.340 -0.543 1.00 0.00 C ATOM 465 C GLY X 33 37.708 -5.783 -0.078 1.00 0.00 C ATOM 466 O GLY X 33 37.105 -5.158 0.792 1.00 0.00 O ATOM 0 H GLY X 33 39.957 -3.688 0.423 1.00 0.00 H new ATOM 0 HA2 GLY X 33 39.206 -5.558 -1.604 1.00 0.00 H new ATOM 0 HA3 GLY X 33 39.854 -5.907 -0.014 1.00 0.00 H new ATOM 470 N SER X 34 37.212 -6.869 -0.660 1.00 0.00 N ATOM 471 CA SER X 34 35.900 -7.386 -0.290 1.00 0.00 C ATOM 472 C SER X 34 36.034 -8.664 0.531 1.00 0.00 C ATOM 473 O SER X 34 35.090 -9.087 1.198 1.00 0.00 O ATOM 474 CB SER X 34 35.075 -7.664 -1.546 1.00 0.00 C ATOM 475 OG SER X 34 35.708 -8.684 -2.309 1.00 0.00 O ATOM 0 H SER X 34 37.693 -7.404 -1.383 1.00 0.00 H new ATOM 0 HA SER X 34 35.394 -6.635 0.317 1.00 0.00 H new ATOM 0 HB2 SER X 34 34.066 -7.973 -1.271 1.00 0.00 H new ATOM 0 HB3 SER X 34 34.980 -6.755 -2.141 1.00 0.00 H new ATOM 0 HG SER X 34 35.180 -8.865 -3.114 1.00 0.00 H new ATOM 481 N SER X 35 37.210 -9.282 0.473 1.00 0.00 N ATOM 482 CA SER X 35 37.451 -10.509 1.208 1.00 0.00 C ATOM 483 C SER X 35 37.382 -10.256 2.711 1.00 0.00 C ATOM 484 O SER X 35 36.917 -11.101 3.473 1.00 0.00 O ATOM 485 CB SER X 35 38.828 -11.052 0.838 1.00 0.00 C ATOM 486 OG SER X 35 39.830 -10.236 1.433 1.00 0.00 O ATOM 0 H SER X 35 38.005 -8.951 -0.074 1.00 0.00 H new ATOM 0 HA SER X 35 36.684 -11.237 0.946 1.00 0.00 H new ATOM 0 HB2 SER X 35 38.930 -12.082 1.181 1.00 0.00 H new ATOM 0 HB3 SER X 35 38.948 -11.064 -0.245 1.00 0.00 H new ATOM 0 HG SER X 35 40.716 -10.583 1.199 1.00 0.00 H new ATOM 492 N SER X 36 37.846 -9.083 3.129 1.00 0.00 N ATOM 493 CA SER X 36 37.835 -8.720 4.540 1.00 0.00 C ATOM 494 C SER X 36 38.513 -9.800 5.374 1.00 0.00 C ATOM 495 O SER X 36 38.216 -9.962 6.559 1.00 0.00 O ATOM 496 CB SER X 36 36.397 -8.528 5.017 1.00 0.00 C ATOM 497 OG SER X 36 35.777 -7.509 4.243 1.00 0.00 O ATOM 0 H SER X 36 38.233 -8.369 2.512 1.00 0.00 H new ATOM 0 HA SER X 36 38.384 -7.786 4.662 1.00 0.00 H new ATOM 0 HB2 SER X 36 35.842 -9.461 4.921 1.00 0.00 H new ATOM 0 HB3 SER X 36 36.385 -8.257 6.073 1.00 0.00 H new ATOM 0 HG SER X 36 34.853 -7.385 4.546 1.00 0.00 H new ATOM 503 N ARG X 37 39.430 -10.534 4.753 1.00 0.00 N ATOM 504 CA ARG X 37 40.150 -11.593 5.450 1.00 0.00 C ATOM 505 C ARG X 37 41.621 -11.600 5.050 1.00 0.00 C ATOM 506 O ARG X 37 41.968 -11.278 3.914 1.00 0.00 O ATOM 507 CB ARG X 37 39.521 -12.951 5.132 1.00 0.00 C ATOM 508 CG ARG X 37 38.129 -13.031 5.759 1.00 0.00 C ATOM 509 CD ARG X 37 37.506 -14.388 5.429 1.00 0.00 C ATOM 510 NE ARG X 37 36.170 -14.493 6.009 1.00 0.00 N ATOM 511 CZ ARG X 37 35.436 -15.600 5.880 1.00 0.00 C ATOM 512 NH1 ARG X 37 35.893 -16.636 5.227 1.00 0.00 N ATOM 513 NH2 ARG X 37 34.246 -15.649 6.413 1.00 0.00 N ATOM 0 H ARG X 37 39.691 -10.416 3.774 1.00 0.00 H new ATOM 0 HA ARG X 37 40.082 -11.406 6.522 1.00 0.00 H new ATOM 0 HB2 ARG X 37 39.453 -13.088 4.053 1.00 0.00 H new ATOM 0 HB3 ARG X 37 40.151 -13.754 5.516 1.00 0.00 H new ATOM 0 HG2 ARG X 37 38.196 -12.901 6.839 1.00 0.00 H new ATOM 0 HG3 ARG X 37 37.499 -12.226 5.379 1.00 0.00 H new ATOM 0 HD2 ARG X 37 37.450 -14.516 4.348 1.00 0.00 H new ATOM 0 HD3 ARG X 37 38.139 -15.188 5.812 1.00 0.00 H new ATOM 0 HE ARG X 37 35.788 -13.701 6.526 1.00 0.00 H new ATOM 0 HH11 ARG X 37 36.822 -16.605 4.808 1.00 0.00 H new ATOM 0 HH12 ARG X 37 35.320 -17.475 5.137 1.00 0.00 H new ATOM 0 HH21 ARG X 37 33.883 -14.845 6.924 1.00 0.00 H new ATOM 0 HH22 ARG X 37 33.679 -16.492 6.319 1.00 0.00 H new ATOM 527 N ARG X 38 42.482 -11.977 5.991 1.00 0.00 N ATOM 528 CA ARG X 38 43.914 -12.027 5.724 1.00 0.00 C ATOM 529 C ARG X 38 44.407 -10.689 5.190 1.00 0.00 C ATOM 530 O ARG X 38 45.236 -10.638 4.283 1.00 0.00 O ATOM 531 CB ARG X 38 44.212 -13.126 4.705 1.00 0.00 C ATOM 532 CG ARG X 38 43.774 -14.473 5.275 1.00 0.00 C ATOM 533 CD ARG X 38 43.850 -15.543 4.184 1.00 0.00 C ATOM 534 NE ARG X 38 42.889 -15.256 3.121 1.00 0.00 N ATOM 535 CZ ARG X 38 42.794 -16.026 2.036 1.00 0.00 C ATOM 536 NH1 ARG X 38 43.562 -17.076 1.889 1.00 0.00 N ATOM 537 NH2 ARG X 38 41.924 -15.732 1.110 1.00 0.00 N ATOM 0 H ARG X 38 42.215 -12.250 6.937 1.00 0.00 H new ATOM 0 HA ARG X 38 44.433 -12.244 6.658 1.00 0.00 H new ATOM 0 HB2 ARG X 38 43.687 -12.925 3.771 1.00 0.00 H new ATOM 0 HB3 ARG X 38 45.277 -13.145 4.474 1.00 0.00 H new ATOM 0 HG2 ARG X 38 44.413 -14.749 6.114 1.00 0.00 H new ATOM 0 HG3 ARG X 38 42.756 -14.403 5.659 1.00 0.00 H new ATOM 0 HD2 ARG X 38 44.858 -15.580 3.771 1.00 0.00 H new ATOM 0 HD3 ARG X 38 43.645 -16.524 4.613 1.00 0.00 H new ATOM 0 HE ARG X 38 42.275 -14.446 3.211 1.00 0.00 H new ATOM 0 HH11 ARG X 38 44.244 -17.314 2.609 1.00 0.00 H new ATOM 0 HH12 ARG X 38 43.479 -17.656 1.054 1.00 0.00 H new ATOM 0 HH21 ARG X 38 41.321 -14.917 1.218 1.00 0.00 H new ATOM 0 HH22 ARG X 38 41.847 -16.317 0.278 1.00 0.00 H new ATOM 551 N ALA X 39 43.889 -9.605 5.757 1.00 0.00 N ATOM 552 CA ALA X 39 44.282 -8.270 5.326 1.00 0.00 C ATOM 553 C ALA X 39 45.695 -7.941 5.813 1.00 0.00 C ATOM 554 O ALA X 39 46.183 -8.538 6.773 1.00 0.00 O ATOM 555 CB ALA X 39 43.294 -7.231 5.866 1.00 0.00 C ATOM 0 H ALA X 39 43.201 -9.624 6.510 1.00 0.00 H new ATOM 0 HA ALA X 39 44.272 -8.244 4.236 1.00 0.00 H new ATOM 0 HB1 ALA X 39 43.597 -6.236 5.538 1.00 0.00 H new ATOM 0 HB2 ALA X 39 42.295 -7.449 5.489 1.00 0.00 H new ATOM 0 HB3 ALA X 39 43.287 -7.267 6.955 1.00 0.00 H new ATOM 561 N PRO X 40 46.354 -7.007 5.173 1.00 0.00 N ATOM 562 CA PRO X 40 47.735 -6.595 5.554 1.00 0.00 C ATOM 563 C PRO X 40 47.747 -5.704 6.798 1.00 0.00 C ATOM 564 O PRO X 40 48.242 -4.575 6.764 1.00 0.00 O ATOM 565 CB PRO X 40 48.229 -5.831 4.322 1.00 0.00 C ATOM 566 CG PRO X 40 46.999 -5.280 3.679 1.00 0.00 C ATOM 567 CD PRO X 40 45.856 -6.244 4.014 1.00 0.00 C ATOM 0 HA PRO X 40 48.365 -7.445 5.815 1.00 0.00 H new ATOM 0 HB2 PRO X 40 48.916 -5.033 4.604 1.00 0.00 H new ATOM 0 HB3 PRO X 40 48.767 -6.490 3.641 1.00 0.00 H new ATOM 0 HG2 PRO X 40 46.783 -4.279 4.052 1.00 0.00 H new ATOM 0 HG3 PRO X 40 47.131 -5.196 2.600 1.00 0.00 H new ATOM 0 HD2 PRO X 40 44.939 -5.706 4.256 1.00 0.00 H new ATOM 0 HD3 PRO X 40 45.629 -6.900 3.173 1.00 0.00 H new ATOM 575 N GLN X 41 47.200 -6.222 7.894 1.00 0.00 N ATOM 576 CA GLN X 41 47.152 -5.469 9.144 1.00 0.00 C ATOM 577 C GLN X 41 46.607 -4.064 8.904 1.00 0.00 C ATOM 578 O GLN X 41 47.193 -3.077 9.349 1.00 0.00 O ATOM 579 CB GLN X 41 48.548 -5.382 9.762 1.00 0.00 C ATOM 580 CG GLN X 41 48.978 -6.767 10.247 1.00 0.00 C ATOM 581 CD GLN X 41 50.435 -6.737 10.695 1.00 0.00 C ATOM 582 OE1 GLN X 41 51.207 -5.889 10.245 1.00 0.00 O ATOM 583 NE2 GLN X 41 50.863 -7.619 11.557 1.00 0.00 N ATOM 0 H GLN X 41 46.787 -7.153 7.943 1.00 0.00 H new ATOM 0 HA GLN X 41 46.487 -5.991 9.832 1.00 0.00 H new ATOM 0 HB2 GLN X 41 49.260 -5.005 9.027 1.00 0.00 H new ATOM 0 HB3 GLN X 41 48.546 -4.678 10.594 1.00 0.00 H new ATOM 0 HG2 GLN X 41 48.342 -7.085 11.073 1.00 0.00 H new ATOM 0 HG3 GLN X 41 48.850 -7.497 9.447 1.00 0.00 H new ATOM 0 HE21 GLN X 41 50.223 -8.321 11.929 1.00 0.00 H new ATOM 0 HE22 GLN X 41 51.837 -7.606 11.858 1.00 0.00 H new ATOM 592 N THR X 42 45.488 -3.984 8.193 1.00 0.00 N ATOM 593 CA THR X 42 44.878 -2.692 7.893 1.00 0.00 C ATOM 594 C THR X 42 43.358 -2.812 7.856 1.00 0.00 C ATOM 595 O THR X 42 42.814 -3.885 7.593 1.00 0.00 O ATOM 596 CB THR X 42 45.384 -2.176 6.546 1.00 0.00 C ATOM 597 OG1 THR X 42 44.909 -0.853 6.337 1.00 0.00 O ATOM 598 CG2 THR X 42 44.875 -3.085 5.426 1.00 0.00 C ATOM 0 H THR X 42 44.988 -4.789 7.816 1.00 0.00 H new ATOM 0 HA THR X 42 45.156 -1.989 8.679 1.00 0.00 H new ATOM 0 HB THR X 42 46.474 -2.175 6.544 1.00 0.00 H new ATOM 0 HG1 THR X 42 45.235 -0.521 5.474 1.00 0.00 H new ATOM 0 HG21 THR X 42 45.236 -2.716 4.466 1.00 0.00 H new ATOM 0 HG22 THR X 42 45.241 -4.099 5.586 1.00 0.00 H new ATOM 0 HG23 THR X 42 43.785 -3.088 5.427 1.00 0.00 H new ATOM 606 N GLY X 43 42.678 -1.701 8.122 1.00 0.00 N ATOM 607 CA GLY X 43 41.219 -1.687 8.119 1.00 0.00 C ATOM 608 C GLY X 43 40.675 -1.937 9.521 1.00 0.00 C ATOM 609 O GLY X 43 41.308 -2.613 10.332 1.00 0.00 O ATOM 0 H GLY X 43 43.111 -0.804 8.341 1.00 0.00 H new ATOM 0 HA2 GLY X 43 40.860 -0.726 7.750 1.00 0.00 H new ATOM 0 HA3 GLY X 43 40.844 -2.450 7.437 1.00 0.00 H new ATOM 613 N ILE X 44 39.495 -1.390 9.799 1.00 0.00 N ATOM 614 CA ILE X 44 38.875 -1.563 11.107 1.00 0.00 C ATOM 615 C ILE X 44 38.403 -3.002 11.283 1.00 0.00 C ATOM 616 O ILE X 44 38.409 -3.535 12.393 1.00 0.00 O ATOM 617 CB ILE X 44 37.695 -0.598 11.252 1.00 0.00 C ATOM 618 CG1 ILE X 44 36.615 -0.932 10.215 1.00 0.00 C ATOM 619 CG2 ILE X 44 38.185 0.831 11.026 1.00 0.00 C ATOM 620 CD1 ILE X 44 35.401 -0.027 10.428 1.00 0.00 C ATOM 0 H ILE X 44 38.954 -0.828 9.142 1.00 0.00 H new ATOM 0 HA ILE X 44 39.612 -1.344 11.880 1.00 0.00 H new ATOM 0 HB ILE X 44 37.273 -0.693 12.252 1.00 0.00 H new ATOM 0 HG12 ILE X 44 37.010 -0.797 9.208 1.00 0.00 H new ATOM 0 HG13 ILE X 44 36.322 -1.978 10.305 1.00 0.00 H new ATOM 0 HG21 ILE X 44 37.349 1.523 11.128 1.00 0.00 H new ATOM 0 HG22 ILE X 44 38.949 1.074 11.764 1.00 0.00 H new ATOM 0 HG23 ILE X 44 38.607 0.917 10.025 1.00 0.00 H new ATOM 0 HD11 ILE X 44 34.635 -0.266 9.690 1.00 0.00 H new ATOM 0 HD12 ILE X 44 35.001 -0.184 11.430 1.00 0.00 H new ATOM 0 HD13 ILE X 44 35.700 1.015 10.316 1.00 0.00 H new ATOM 632 N VAL X 45 38.002 -3.625 10.176 1.00 0.00 N ATOM 633 CA VAL X 45 37.533 -5.003 10.215 1.00 0.00 C ATOM 634 C VAL X 45 38.636 -5.947 10.660 1.00 0.00 C ATOM 635 O VAL X 45 38.431 -6.788 11.529 1.00 0.00 O ATOM 636 CB VAL X 45 37.030 -5.429 8.837 1.00 0.00 C ATOM 637 CG1 VAL X 45 36.802 -6.946 8.822 1.00 0.00 C ATOM 638 CG2 VAL X 45 35.708 -4.712 8.547 1.00 0.00 C ATOM 0 H VAL X 45 37.993 -3.199 9.249 1.00 0.00 H new ATOM 0 HA VAL X 45 36.717 -5.055 10.936 1.00 0.00 H new ATOM 0 HB VAL X 45 37.767 -5.168 8.078 1.00 0.00 H new ATOM 0 HG11 VAL X 45 36.443 -7.250 7.839 1.00 0.00 H new ATOM 0 HG12 VAL X 45 37.740 -7.457 9.040 1.00 0.00 H new ATOM 0 HG13 VAL X 45 36.061 -7.210 9.576 1.00 0.00 H new ATOM 0 HG21 VAL X 45 35.340 -5.010 7.565 1.00 0.00 H new ATOM 0 HG22 VAL X 45 34.974 -4.982 9.306 1.00 0.00 H new ATOM 0 HG23 VAL X 45 35.868 -3.634 8.563 1.00 0.00 H new ATOM 648 N ASP X 46 39.804 -5.803 10.052 1.00 0.00 N ATOM 649 CA ASP X 46 40.933 -6.650 10.387 1.00 0.00 C ATOM 650 C ASP X 46 41.371 -6.433 11.828 1.00 0.00 C ATOM 651 O ASP X 46 41.687 -7.387 12.536 1.00 0.00 O ATOM 652 CB ASP X 46 42.104 -6.356 9.444 1.00 0.00 C ATOM 653 CG ASP X 46 43.240 -7.339 9.705 1.00 0.00 C ATOM 654 OD1 ASP X 46 43.065 -8.510 9.410 1.00 0.00 O ATOM 655 OD2 ASP X 46 44.267 -6.908 10.202 1.00 0.00 O ATOM 0 H ASP X 46 39.992 -5.110 9.328 1.00 0.00 H new ATOM 0 HA ASP X 46 40.623 -7.689 10.273 1.00 0.00 H new ATOM 0 HB2 ASP X 46 41.776 -6.433 8.407 1.00 0.00 H new ATOM 0 HB3 ASP X 46 42.454 -5.334 9.592 1.00 0.00 H new ATOM 660 N GLU X 47 41.415 -5.174 12.256 1.00 0.00 N ATOM 661 CA GLU X 47 41.850 -4.871 13.609 1.00 0.00 C ATOM 662 C GLU X 47 40.939 -5.517 14.649 1.00 0.00 C ATOM 663 O GLU X 47 41.418 -6.182 15.566 1.00 0.00 O ATOM 664 CB GLU X 47 41.843 -3.351 13.808 1.00 0.00 C ATOM 665 CG GLU X 47 42.302 -3.014 15.227 1.00 0.00 C ATOM 666 CD GLU X 47 43.730 -3.505 15.442 1.00 0.00 C ATOM 667 OE1 GLU X 47 44.427 -3.691 14.457 1.00 0.00 O ATOM 668 OE2 GLU X 47 44.102 -3.696 16.587 1.00 0.00 O ATOM 0 H GLU X 47 41.159 -4.362 11.694 1.00 0.00 H new ATOM 0 HA GLU X 47 42.855 -5.272 13.743 1.00 0.00 H new ATOM 0 HB2 GLU X 47 42.501 -2.876 13.080 1.00 0.00 H new ATOM 0 HB3 GLU X 47 40.841 -2.957 13.636 1.00 0.00 H new ATOM 0 HG2 GLU X 47 42.250 -1.937 15.389 1.00 0.00 H new ATOM 0 HG3 GLU X 47 41.635 -3.478 15.954 1.00 0.00 H new ATOM 675 N CYS X 48 39.632 -5.313 14.511 1.00 0.00 N ATOM 676 CA CYS X 48 38.680 -5.881 15.461 1.00 0.00 C ATOM 677 C CYS X 48 38.572 -7.393 15.308 1.00 0.00 C ATOM 678 O CYS X 48 38.478 -8.120 16.297 1.00 0.00 O ATOM 679 CB CYS X 48 37.295 -5.263 15.257 1.00 0.00 C ATOM 680 SG CYS X 48 37.346 -3.519 15.727 1.00 0.00 S ATOM 0 H CYS X 48 39.211 -4.765 13.760 1.00 0.00 H new ATOM 0 HA CYS X 48 39.047 -5.655 16.462 1.00 0.00 H new ATOM 0 HB2 CYS X 48 36.989 -5.362 14.215 1.00 0.00 H new ATOM 0 HB3 CYS X 48 36.556 -5.792 15.858 1.00 0.00 H new ATOM 685 N CYS X 49 38.570 -7.856 14.061 1.00 0.00 N ATOM 686 CA CYS X 49 38.454 -9.279 13.785 1.00 0.00 C ATOM 687 C CYS X 49 39.627 -10.046 14.385 1.00 0.00 C ATOM 688 O CYS X 49 39.443 -11.074 15.033 1.00 0.00 O ATOM 689 CB CYS X 49 38.393 -9.520 12.272 1.00 0.00 C ATOM 690 SG CYS X 49 38.207 -11.293 11.937 1.00 0.00 S ATOM 0 H CYS X 49 38.647 -7.267 13.231 1.00 0.00 H new ATOM 0 HA CYS X 49 37.534 -9.641 14.244 1.00 0.00 H new ATOM 0 HB2 CYS X 49 37.557 -8.970 11.841 1.00 0.00 H new ATOM 0 HB3 CYS X 49 39.300 -9.145 11.798 1.00 0.00 H new ATOM 695 N PHE X 50 40.833 -9.541 14.158 1.00 0.00 N ATOM 696 CA PHE X 50 42.025 -10.193 14.680 1.00 0.00 C ATOM 697 C PHE X 50 42.317 -9.719 16.101 1.00 0.00 C ATOM 698 O PHE X 50 42.178 -10.477 17.059 1.00 0.00 O ATOM 699 CB PHE X 50 43.210 -9.877 13.768 1.00 0.00 C ATOM 700 CG PHE X 50 43.099 -10.701 12.508 1.00 0.00 C ATOM 701 CD1 PHE X 50 42.246 -10.281 11.483 1.00 0.00 C ATOM 702 CD2 PHE X 50 43.852 -11.871 12.359 1.00 0.00 C ATOM 703 CE1 PHE X 50 42.142 -11.030 10.306 1.00 0.00 C ATOM 704 CE2 PHE X 50 43.750 -12.623 11.181 1.00 0.00 C ATOM 705 CZ PHE X 50 42.893 -12.203 10.155 1.00 0.00 C ATOM 0 H PHE X 50 41.010 -8.691 13.622 1.00 0.00 H new ATOM 0 HA PHE X 50 41.860 -11.270 14.707 1.00 0.00 H new ATOM 0 HB2 PHE X 50 43.223 -8.815 13.523 1.00 0.00 H new ATOM 0 HB3 PHE X 50 44.147 -10.097 14.280 1.00 0.00 H new ATOM 0 HD1 PHE X 50 41.667 -9.377 11.600 1.00 0.00 H new ATOM 0 HD2 PHE X 50 44.511 -12.194 13.151 1.00 0.00 H new ATOM 0 HE1 PHE X 50 41.483 -10.704 9.514 1.00 0.00 H new ATOM 0 HE2 PHE X 50 44.331 -13.526 11.064 1.00 0.00 H new ATOM 0 HZ PHE X 50 42.811 -12.783 9.248 1.00 0.00 H new ATOM 715 N ARG X 51 42.719 -8.457 16.223 1.00 0.00 N ATOM 716 CA ARG X 51 43.029 -7.878 17.526 1.00 0.00 C ATOM 717 C ARG X 51 41.749 -7.474 18.249 1.00 0.00 C ATOM 718 O ARG X 51 40.686 -7.362 17.637 1.00 0.00 O ATOM 719 CB ARG X 51 43.928 -6.650 17.356 1.00 0.00 C ATOM 720 CG ARG X 51 45.296 -7.090 16.833 1.00 0.00 C ATOM 721 CD ARG X 51 46.189 -5.865 16.633 1.00 0.00 C ATOM 722 NE ARG X 51 47.493 -6.277 16.124 1.00 0.00 N ATOM 723 CZ ARG X 51 47.679 -6.569 14.835 1.00 0.00 C ATOM 724 NH1 ARG X 51 46.688 -6.510 13.984 1.00 0.00 N ATOM 725 NH2 ARG X 51 48.864 -6.921 14.420 1.00 0.00 N ATOM 0 H ARG X 51 42.837 -7.817 15.437 1.00 0.00 H new ATOM 0 HA ARG X 51 43.550 -8.629 18.120 1.00 0.00 H new ATOM 0 HB2 ARG X 51 43.471 -5.944 16.662 1.00 0.00 H new ATOM 0 HB3 ARG X 51 44.040 -6.133 18.309 1.00 0.00 H new ATOM 0 HG2 ARG X 51 45.761 -7.780 17.537 1.00 0.00 H new ATOM 0 HG3 ARG X 51 45.181 -7.626 15.891 1.00 0.00 H new ATOM 0 HD2 ARG X 51 45.719 -5.172 15.935 1.00 0.00 H new ATOM 0 HD3 ARG X 51 46.309 -5.334 17.577 1.00 0.00 H new ATOM 0 HE ARG X 51 48.281 -6.343 16.768 1.00 0.00 H new ATOM 0 HH11 ARG X 51 45.758 -6.238 14.302 1.00 0.00 H new ATOM 0 HH12 ARG X 51 46.845 -6.736 13.002 1.00 0.00 H new ATOM 0 HH21 ARG X 51 49.641 -6.972 15.079 1.00 0.00 H new ATOM 0 HH22 ARG X 51 49.014 -7.146 13.436 1.00 0.00 H new ATOM 739 N SER X 52 41.853 -7.256 19.552 1.00 0.00 N ATOM 740 CA SER X 52 40.689 -6.862 20.333 1.00 0.00 C ATOM 741 C SER X 52 40.557 -5.342 20.348 1.00 0.00 C ATOM 742 O SER X 52 41.396 -4.642 20.915 1.00 0.00 O ATOM 743 CB SER X 52 40.825 -7.381 21.763 1.00 0.00 C ATOM 744 OG SER X 52 39.757 -6.876 22.551 1.00 0.00 O ATOM 0 H SER X 52 42.718 -7.344 20.085 1.00 0.00 H new ATOM 0 HA SER X 52 39.797 -7.291 19.877 1.00 0.00 H new ATOM 0 HB2 SER X 52 40.812 -8.471 21.769 1.00 0.00 H new ATOM 0 HB3 SER X 52 41.781 -7.071 22.185 1.00 0.00 H new ATOM 0 HG SER X 52 39.842 -7.209 23.469 1.00 0.00 H new ATOM 750 N CYS X 53 39.495 -4.838 19.722 1.00 0.00 N ATOM 751 CA CYS X 53 39.268 -3.397 19.672 1.00 0.00 C ATOM 752 C CYS X 53 38.109 -3.012 20.586 1.00 0.00 C ATOM 753 O CYS X 53 37.073 -3.676 20.606 1.00 0.00 O ATOM 754 CB CYS X 53 38.963 -2.964 18.234 1.00 0.00 C ATOM 755 SG CYS X 53 37.330 -3.573 17.747 1.00 0.00 S ATOM 0 H CYS X 53 38.787 -5.399 19.248 1.00 0.00 H new ATOM 0 HA CYS X 53 40.170 -2.889 20.014 1.00 0.00 H new ATOM 0 HB2 CYS X 53 38.994 -1.877 18.157 1.00 0.00 H new ATOM 0 HB3 CYS X 53 39.724 -3.354 17.558 1.00 0.00 H new ATOM 760 N ASP X 54 38.293 -1.937 21.346 1.00 0.00 N ATOM 761 CA ASP X 54 37.260 -1.472 22.263 1.00 0.00 C ATOM 762 C ASP X 54 36.149 -0.752 21.506 1.00 0.00 C ATOM 763 O ASP X 54 36.379 -0.165 20.452 1.00 0.00 O ATOM 764 CB ASP X 54 37.867 -0.529 23.305 1.00 0.00 C ATOM 765 CG ASP X 54 36.951 -0.435 24.521 1.00 0.00 C ATOM 766 OD1 ASP X 54 35.968 -1.156 24.558 1.00 0.00 O ATOM 767 OD2 ASP X 54 37.248 0.358 25.401 1.00 0.00 O ATOM 0 H ASP X 54 39.144 -1.374 21.345 1.00 0.00 H new ATOM 0 HA ASP X 54 36.834 -2.341 22.765 1.00 0.00 H new ATOM 0 HB2 ASP X 54 38.850 -0.892 23.607 1.00 0.00 H new ATOM 0 HB3 ASP X 54 38.012 0.460 22.871 1.00 0.00 H new ATOM 772 N LEU X 55 34.944 -0.799 22.054 1.00 0.00 N ATOM 773 CA LEU X 55 33.805 -0.141 21.428 1.00 0.00 C ATOM 774 C LEU X 55 34.006 1.371 21.397 1.00 0.00 C ATOM 775 O LEU X 55 33.599 2.040 20.447 1.00 0.00 O ATOM 776 CB LEU X 55 32.523 -0.479 22.189 1.00 0.00 C ATOM 777 CG LEU X 55 32.178 -1.957 21.983 1.00 0.00 C ATOM 778 CD1 LEU X 55 31.059 -2.354 22.945 1.00 0.00 C ATOM 779 CD2 LEU X 55 31.707 -2.181 20.541 1.00 0.00 C ATOM 0 H LEU X 55 34.729 -1.283 22.926 1.00 0.00 H new ATOM 0 HA LEU X 55 33.720 -0.501 20.403 1.00 0.00 H new ATOM 0 HB2 LEU X 55 32.653 -0.270 23.251 1.00 0.00 H new ATOM 0 HB3 LEU X 55 31.704 0.148 21.838 1.00 0.00 H new ATOM 0 HG LEU X 55 33.063 -2.564 22.175 1.00 0.00 H new ATOM 0 HD11 LEU X 55 30.811 -3.406 22.801 1.00 0.00 H new ATOM 0 HD12 LEU X 55 31.389 -2.197 23.972 1.00 0.00 H new ATOM 0 HD13 LEU X 55 30.177 -1.743 22.750 1.00 0.00 H new ATOM 0 HD21 LEU X 55 31.462 -3.233 20.397 1.00 0.00 H new ATOM 0 HD22 LEU X 55 30.823 -1.573 20.349 1.00 0.00 H new ATOM 0 HD23 LEU X 55 32.501 -1.896 19.851 1.00 0.00 H new ATOM 791 N ARG X 56 34.617 1.908 22.450 1.00 0.00 N ATOM 792 CA ARG X 56 34.843 3.346 22.534 1.00 0.00 C ATOM 793 C ARG X 56 35.643 3.838 21.333 1.00 0.00 C ATOM 794 O ARG X 56 35.261 4.809 20.680 1.00 0.00 O ATOM 795 CB ARG X 56 35.612 3.668 23.816 1.00 0.00 C ATOM 796 CG ARG X 56 35.844 5.175 23.905 1.00 0.00 C ATOM 797 CD ARG X 56 36.473 5.517 25.259 1.00 0.00 C ATOM 798 NE ARG X 56 37.788 4.890 25.386 1.00 0.00 N ATOM 799 CZ ARG X 56 38.454 4.887 26.543 1.00 0.00 C ATOM 800 NH1 ARG X 56 37.945 5.446 27.610 1.00 0.00 N ATOM 801 NH2 ARG X 56 39.628 4.321 26.611 1.00 0.00 N ATOM 0 H ARG X 56 34.961 1.375 23.249 1.00 0.00 H new ATOM 0 HA ARG X 56 33.876 3.848 22.542 1.00 0.00 H new ATOM 0 HB2 ARG X 56 35.052 3.323 24.685 1.00 0.00 H new ATOM 0 HB3 ARG X 56 36.566 3.141 23.823 1.00 0.00 H new ATOM 0 HG2 ARG X 56 36.497 5.501 23.096 1.00 0.00 H new ATOM 0 HG3 ARG X 56 34.900 5.707 23.786 1.00 0.00 H new ATOM 0 HD2 ARG X 56 36.568 6.598 25.360 1.00 0.00 H new ATOM 0 HD3 ARG X 56 35.822 5.178 26.065 1.00 0.00 H new ATOM 0 HE ARG X 56 38.207 4.444 24.570 1.00 0.00 H new ATOM 0 HH11 ARG X 56 37.029 5.891 27.564 1.00 0.00 H new ATOM 0 HH12 ARG X 56 38.464 5.437 28.488 1.00 0.00 H new ATOM 0 HH21 ARG X 56 40.032 3.884 25.783 1.00 0.00 H new ATOM 0 HH22 ARG X 56 40.141 4.316 27.492 1.00 0.00 H new ATOM 815 N ARG X 57 36.741 3.156 21.037 1.00 0.00 N ATOM 816 CA ARG X 57 37.566 3.531 19.897 1.00 0.00 C ATOM 817 C ARG X 57 36.900 3.106 18.594 1.00 0.00 C ATOM 818 O ARG X 57 37.191 3.647 17.534 1.00 0.00 O ATOM 819 CB ARG X 57 38.946 2.880 20.008 1.00 0.00 C ATOM 820 CG ARG X 57 38.800 1.357 19.972 1.00 0.00 C ATOM 821 CD ARG X 57 40.185 0.714 19.930 1.00 0.00 C ATOM 822 NE ARG X 57 40.851 1.020 18.669 1.00 0.00 N ATOM 823 CZ ARG X 57 42.101 0.622 18.424 1.00 0.00 C ATOM 824 NH1 ARG X 57 42.772 -0.060 19.318 1.00 0.00 N ATOM 825 NH2 ARG X 57 42.659 0.913 17.284 1.00 0.00 N ATOM 0 H ARG X 57 37.078 2.350 21.563 1.00 0.00 H new ATOM 0 HA ARG X 57 37.680 4.615 19.897 1.00 0.00 H new ATOM 0 HB2 ARG X 57 39.583 3.214 19.189 1.00 0.00 H new ATOM 0 HB3 ARG X 57 39.431 3.187 20.935 1.00 0.00 H new ATOM 0 HG2 ARG X 57 38.254 1.012 20.850 1.00 0.00 H new ATOM 0 HG3 ARG X 57 38.221 1.057 19.098 1.00 0.00 H new ATOM 0 HD2 ARG X 57 40.787 1.077 20.763 1.00 0.00 H new ATOM 0 HD3 ARG X 57 40.095 -0.366 20.048 1.00 0.00 H new ATOM 0 HE ARG X 57 40.349 1.551 17.957 1.00 0.00 H new ATOM 0 HH11 ARG X 57 42.340 -0.292 20.212 1.00 0.00 H new ATOM 0 HH12 ARG X 57 43.727 -0.359 19.120 1.00 0.00 H new ATOM 0 HH21 ARG X 57 42.141 1.443 16.583 1.00 0.00 H new ATOM 0 HH22 ARG X 57 43.614 0.611 17.092 1.00 0.00 H new ATOM 839 N LEU X 58 36.020 2.116 18.675 1.00 0.00 N ATOM 840 CA LEU X 58 35.340 1.617 17.489 1.00 0.00 C ATOM 841 C LEU X 58 34.437 2.701 16.906 1.00 0.00 C ATOM 842 O LEU X 58 34.336 2.852 15.689 1.00 0.00 O ATOM 843 CB LEU X 58 34.508 0.382 17.843 1.00 0.00 C ATOM 844 CG LEU X 58 34.087 -0.334 16.557 1.00 0.00 C ATOM 845 CD1 LEU X 58 35.299 -1.052 15.952 1.00 0.00 C ATOM 846 CD2 LEU X 58 33.000 -1.362 16.874 1.00 0.00 C ATOM 0 H LEU X 58 35.762 1.646 19.543 1.00 0.00 H new ATOM 0 HA LEU X 58 36.088 1.341 16.745 1.00 0.00 H new ATOM 0 HB2 LEU X 58 35.088 -0.292 18.474 1.00 0.00 H new ATOM 0 HB3 LEU X 58 33.627 0.675 18.414 1.00 0.00 H new ATOM 0 HG LEU X 58 33.701 0.398 15.847 1.00 0.00 H new ATOM 0 HD11 LEU X 58 35.000 -1.562 15.036 1.00 0.00 H new ATOM 0 HD12 LEU X 58 36.077 -0.323 15.724 1.00 0.00 H new ATOM 0 HD13 LEU X 58 35.683 -1.782 16.665 1.00 0.00 H new ATOM 0 HD21 LEU X 58 32.702 -1.871 15.957 1.00 0.00 H new ATOM 0 HD22 LEU X 58 33.386 -2.092 17.585 1.00 0.00 H new ATOM 0 HD23 LEU X 58 32.136 -0.857 17.306 1.00 0.00 H new ATOM 858 N ASP X 59 33.784 3.454 17.789 1.00 0.00 N ATOM 859 CA ASP X 59 32.888 4.526 17.369 1.00 0.00 C ATOM 860 C ASP X 59 33.644 5.595 16.577 1.00 0.00 C ATOM 861 O ASP X 59 33.046 6.364 15.829 1.00 0.00 O ATOM 862 CB ASP X 59 32.223 5.164 18.592 1.00 0.00 C ATOM 863 CG ASP X 59 31.097 6.095 18.146 1.00 0.00 C ATOM 864 OD1 ASP X 59 30.157 5.607 17.542 1.00 0.00 O ATOM 865 OD2 ASP X 59 31.195 7.280 18.415 1.00 0.00 O ATOM 0 H ASP X 59 33.860 3.340 18.800 1.00 0.00 H new ATOM 0 HA ASP X 59 32.123 4.094 16.723 1.00 0.00 H new ATOM 0 HB2 ASP X 59 31.827 4.388 19.247 1.00 0.00 H new ATOM 0 HB3 ASP X 59 32.961 5.722 19.168 1.00 0.00 H new ATOM 870 N MET X 60 34.961 5.647 16.753 1.00 0.00 N ATOM 871 CA MET X 60 35.775 6.638 16.053 1.00 0.00 C ATOM 872 C MET X 60 35.721 6.400 14.546 1.00 0.00 C ATOM 873 O MET X 60 35.859 7.334 13.755 1.00 0.00 O ATOM 874 CB MET X 60 37.226 6.561 16.535 1.00 0.00 C ATOM 875 CG MET X 60 37.289 7.001 17.999 1.00 0.00 C ATOM 876 SD MET X 60 38.950 6.698 18.652 1.00 0.00 S ATOM 877 CE MET X 60 39.801 7.978 17.701 1.00 0.00 C ATOM 0 H MET X 60 35.484 5.022 17.367 1.00 0.00 H new ATOM 0 HA MET X 60 35.377 7.629 16.270 1.00 0.00 H new ATOM 0 HB2 MET X 60 37.604 5.544 16.431 1.00 0.00 H new ATOM 0 HB3 MET X 60 37.861 7.201 15.922 1.00 0.00 H new ATOM 0 HG2 MET X 60 37.042 8.059 18.082 1.00 0.00 H new ATOM 0 HG3 MET X 60 36.551 6.454 18.586 1.00 0.00 H new ATOM 0 HE1 MET X 60 40.624 8.382 18.290 1.00 0.00 H new ATOM 0 HE2 MET X 60 40.192 7.547 16.779 1.00 0.00 H new ATOM 0 HE3 MET X 60 39.101 8.778 17.459 1.00 0.00 H new ATOM 887 N TYR X 61 35.517 5.144 14.157 1.00 0.00 N ATOM 888 CA TYR X 61 35.443 4.797 12.742 1.00 0.00 C ATOM 889 C TYR X 61 34.083 5.184 12.153 1.00 0.00 C ATOM 890 O TYR X 61 33.837 4.977 10.963 1.00 0.00 O ATOM 891 CB TYR X 61 35.667 3.295 12.550 1.00 0.00 C ATOM 892 CG TYR X 61 36.858 2.855 13.364 1.00 0.00 C ATOM 893 CD1 TYR X 61 36.787 1.716 14.174 1.00 0.00 C ATOM 894 CD2 TYR X 61 38.044 3.592 13.299 1.00 0.00 C ATOM 895 CE1 TYR X 61 37.906 1.316 14.917 1.00 0.00 C ATOM 896 CE2 TYR X 61 39.159 3.195 14.043 1.00 0.00 C ATOM 897 CZ TYR X 61 39.091 2.055 14.852 1.00 0.00 C ATOM 898 OH TYR X 61 40.196 1.661 15.585 1.00 0.00 O ATOM 0 H TYR X 61 35.401 4.357 14.795 1.00 0.00 H new ATOM 0 HA TYR X 61 36.224 5.352 12.222 1.00 0.00 H new ATOM 0 HB2 TYR X 61 34.779 2.742 12.857 1.00 0.00 H new ATOM 0 HB3 TYR X 61 35.832 3.073 11.496 1.00 0.00 H new ATOM 0 HD1 TYR X 61 35.871 1.146 14.226 1.00 0.00 H new ATOM 0 HD2 TYR X 61 38.099 4.470 12.673 1.00 0.00 H new ATOM 0 HE1 TYR X 61 37.853 0.436 15.541 1.00 0.00 H new ATOM 0 HE2 TYR X 61 40.073 3.768 13.993 1.00 0.00 H new ATOM 0 HH TYR X 61 40.942 1.476 14.978 1.00 0.00 H new ATOM 908 N CYS X 62 33.211 5.759 12.976 1.00 0.00 N ATOM 909 CA CYS X 62 31.896 6.177 12.505 1.00 0.00 C ATOM 910 C CYS X 62 32.031 7.364 11.552 1.00 0.00 C ATOM 911 O CYS X 62 32.962 8.161 11.666 1.00 0.00 O ATOM 912 CB CYS X 62 31.023 6.577 13.695 1.00 0.00 C ATOM 913 SG CYS X 62 30.694 5.123 14.726 1.00 0.00 S ATOM 0 H CYS X 62 33.389 5.945 13.963 1.00 0.00 H new ATOM 0 HA CYS X 62 31.432 5.345 11.976 1.00 0.00 H new ATOM 0 HB2 CYS X 62 31.523 7.346 14.283 1.00 0.00 H new ATOM 0 HB3 CYS X 62 30.085 7.005 13.343 1.00 0.00 H new ATOM 918 N ALA X 63 31.098 7.473 10.615 1.00 0.00 N ATOM 919 CA ALA X 63 31.112 8.550 9.648 1.00 0.00 C ATOM 920 C ALA X 63 30.745 9.874 10.317 1.00 0.00 C ATOM 921 O ALA X 63 30.224 9.893 11.431 1.00 0.00 O ATOM 922 CB ALA X 63 30.121 8.240 8.522 1.00 0.00 C ATOM 0 H ALA X 63 30.320 6.822 10.508 1.00 0.00 H new ATOM 0 HA ALA X 63 32.116 8.640 9.233 1.00 0.00 H new ATOM 0 HB1 ALA X 63 30.132 9.051 7.794 1.00 0.00 H new ATOM 0 HB2 ALA X 63 30.406 7.309 8.032 1.00 0.00 H new ATOM 0 HB3 ALA X 63 29.118 8.139 8.937 1.00 0.00 H new ATOM 928 N PRO X 64 31.007 10.964 9.654 1.00 0.00 N ATOM 929 CA PRO X 64 30.706 12.330 10.176 1.00 0.00 C ATOM 930 C PRO X 64 29.242 12.471 10.582 1.00 0.00 C ATOM 931 O PRO X 64 28.371 11.783 10.049 1.00 0.00 O ATOM 932 CB PRO X 64 31.017 13.250 8.994 1.00 0.00 C ATOM 933 CG PRO X 64 31.969 12.485 8.137 1.00 0.00 C ATOM 934 CD PRO X 64 31.627 11.011 8.324 1.00 0.00 C ATOM 0 HA PRO X 64 31.285 12.561 11.070 1.00 0.00 H new ATOM 0 HB2 PRO X 64 30.111 13.504 8.445 1.00 0.00 H new ATOM 0 HB3 PRO X 64 31.458 14.188 9.331 1.00 0.00 H new ATOM 0 HG2 PRO X 64 31.871 12.777 7.091 1.00 0.00 H new ATOM 0 HG3 PRO X 64 33.000 12.684 8.428 1.00 0.00 H new ATOM 0 HD2 PRO X 64 30.945 10.657 7.551 1.00 0.00 H new ATOM 0 HD3 PRO X 64 32.517 10.384 8.275 1.00 0.00 H new ATOM 942 N LEU X 65 28.984 13.356 11.538 1.00 0.00 N ATOM 943 CA LEU X 65 27.624 13.570 12.020 1.00 0.00 C ATOM 944 C LEU X 65 26.741 14.107 10.903 1.00 0.00 C ATOM 945 O LEU X 65 27.188 14.889 10.064 1.00 0.00 O ATOM 946 CB LEU X 65 27.638 14.563 13.184 1.00 0.00 C ATOM 947 CG LEU X 65 28.502 14.011 14.320 1.00 0.00 C ATOM 948 CD1 LEU X 65 28.592 15.042 15.445 1.00 0.00 C ATOM 949 CD2 LEU X 65 27.875 12.726 14.866 1.00 0.00 C ATOM 0 H LEU X 65 29.692 13.933 11.992 1.00 0.00 H new ATOM 0 HA LEU X 65 27.221 12.616 12.359 1.00 0.00 H new ATOM 0 HB2 LEU X 65 28.029 15.524 12.850 1.00 0.00 H new ATOM 0 HB3 LEU X 65 26.622 14.738 13.538 1.00 0.00 H new ATOM 0 HG LEU X 65 29.500 13.798 13.938 1.00 0.00 H new ATOM 0 HD11 LEU X 65 29.208 14.646 16.253 1.00 0.00 H new ATOM 0 HD12 LEU X 65 29.040 15.959 15.063 1.00 0.00 H new ATOM 0 HD13 LEU X 65 27.592 15.257 15.823 1.00 0.00 H new ATOM 0 HD21 LEU X 65 28.492 12.335 15.675 1.00 0.00 H new ATOM 0 HD22 LEU X 65 26.875 12.941 15.244 1.00 0.00 H new ATOM 0 HD23 LEU X 65 27.810 11.986 14.069 1.00 0.00 H new ATOM 961 N LYS X 66 25.488 13.672 10.893 1.00 0.00 N ATOM 962 CA LYS X 66 24.553 14.104 9.863 1.00 0.00 C ATOM 963 C LYS X 66 24.202 15.583 10.040 1.00 0.00 C ATOM 964 O LYS X 66 24.279 16.118 11.147 1.00 0.00 O ATOM 965 CB LYS X 66 23.278 13.257 9.936 1.00 0.00 C ATOM 966 CG LYS X 66 22.545 13.526 11.254 1.00 0.00 C ATOM 967 CD LYS X 66 21.271 12.680 11.309 1.00 0.00 C ATOM 968 CE LYS X 66 20.543 12.944 12.627 1.00 0.00 C ATOM 969 NZ LYS X 66 19.297 12.129 12.679 1.00 0.00 N ATOM 0 H LYS X 66 25.098 13.026 11.580 1.00 0.00 H new ATOM 0 HA LYS X 66 25.023 13.973 8.888 1.00 0.00 H new ATOM 0 HB2 LYS X 66 22.627 13.492 9.094 1.00 0.00 H new ATOM 0 HB3 LYS X 66 23.529 12.199 9.859 1.00 0.00 H new ATOM 0 HG2 LYS X 66 23.191 13.285 12.098 1.00 0.00 H new ATOM 0 HG3 LYS X 66 22.296 14.584 11.335 1.00 0.00 H new ATOM 0 HD2 LYS X 66 20.623 12.924 10.467 1.00 0.00 H new ATOM 0 HD3 LYS X 66 21.520 11.622 11.224 1.00 0.00 H new ATOM 0 HE2 LYS X 66 21.189 12.693 13.468 1.00 0.00 H new ATOM 0 HE3 LYS X 66 20.301 14.003 12.715 1.00 0.00 H new ATOM 0 HZ1 LYS X 66 18.802 12.309 13.576 1.00 0.00 H new ATOM 0 HZ2 LYS X 66 18.679 12.389 11.884 1.00 0.00 H new ATOM 0 HZ3 LYS X 66 19.539 11.120 12.614 1.00 0.00 H new ATOM 983 N PRO X 67 23.810 16.249 8.978 1.00 0.00 N ATOM 984 CA PRO X 67 23.430 17.693 9.028 1.00 0.00 C ATOM 985 C PRO X 67 22.093 17.919 9.728 1.00 0.00 C ATOM 986 O PRO X 67 21.263 17.015 9.812 1.00 0.00 O ATOM 987 CB PRO X 67 23.358 18.102 7.556 1.00 0.00 C ATOM 988 CG PRO X 67 23.046 16.845 6.818 1.00 0.00 C ATOM 989 CD PRO X 67 23.695 15.709 7.609 1.00 0.00 C ATOM 0 HA PRO X 67 24.145 18.282 9.602 1.00 0.00 H new ATOM 0 HB2 PRO X 67 22.588 18.856 7.394 1.00 0.00 H new ATOM 0 HB3 PRO X 67 24.301 18.533 7.220 1.00 0.00 H new ATOM 0 HG2 PRO X 67 21.969 16.698 6.739 1.00 0.00 H new ATOM 0 HG3 PRO X 67 23.438 16.884 5.801 1.00 0.00 H new ATOM 0 HD2 PRO X 67 23.084 14.806 7.586 1.00 0.00 H new ATOM 0 HD3 PRO X 67 24.670 15.445 7.201 1.00 0.00 H new ATOM 997 N ALA X 68 21.893 19.135 10.227 1.00 0.00 N ATOM 998 CA ALA X 68 20.654 19.475 10.916 1.00 0.00 C ATOM 999 C ALA X 68 19.460 19.320 9.982 1.00 0.00 C ATOM 1000 O ALA X 68 18.390 18.876 10.396 1.00 0.00 O ATOM 1001 CB ALA X 68 20.720 20.911 11.438 1.00 0.00 C ATOM 0 H ALA X 68 22.569 19.897 10.168 1.00 0.00 H new ATOM 0 HA ALA X 68 20.530 18.793 11.757 1.00 0.00 H new ATOM 0 HB1 ALA X 68 19.790 21.155 11.951 1.00 0.00 H new ATOM 0 HB2 ALA X 68 21.554 21.007 12.133 1.00 0.00 H new ATOM 0 HB3 ALA X 68 20.864 21.596 10.602 1.00 0.00 H new ATOM 1007 N LYS X 69 19.650 19.698 8.722 1.00 0.00 N ATOM 1008 CA LYS X 69 18.577 19.605 7.739 1.00 0.00 C ATOM 1009 C LYS X 69 18.095 18.165 7.600 1.00 0.00 C ATOM 1010 O LYS X 69 16.894 17.900 7.607 1.00 0.00 O ATOM 1011 CB LYS X 69 19.072 20.109 6.382 1.00 0.00 C ATOM 1012 CG LYS X 69 17.942 20.011 5.354 1.00 0.00 C ATOM 1013 CD LYS X 69 18.356 20.727 4.066 1.00 0.00 C ATOM 1014 CE LYS X 69 19.470 19.939 3.371 1.00 0.00 C ATOM 1015 NZ LYS X 69 19.852 20.634 2.109 1.00 0.00 N ATOM 0 H LYS X 69 20.529 20.068 8.360 1.00 0.00 H new ATOM 0 HA LYS X 69 17.745 20.222 8.079 1.00 0.00 H new ATOM 0 HB2 LYS X 69 19.411 21.142 6.468 1.00 0.00 H new ATOM 0 HB3 LYS X 69 19.928 19.519 6.054 1.00 0.00 H new ATOM 0 HG2 LYS X 69 17.717 18.965 5.144 1.00 0.00 H new ATOM 0 HG3 LYS X 69 17.032 20.459 5.755 1.00 0.00 H new ATOM 0 HD2 LYS X 69 17.498 20.825 3.401 1.00 0.00 H new ATOM 0 HD3 LYS X 69 18.699 21.736 4.294 1.00 0.00 H new ATOM 0 HE2 LYS X 69 20.335 19.853 4.029 1.00 0.00 H new ATOM 0 HE3 LYS X 69 19.133 18.925 3.154 1.00 0.00 H new ATOM 0 HZ1 LYS X 69 20.609 20.101 1.635 1.00 0.00 H new ATOM 0 HZ2 LYS X 69 19.025 20.694 1.482 1.00 0.00 H new ATOM 0 HZ3 LYS X 69 20.190 21.593 2.329 1.00 0.00 H new ATOM 1029 N SER X 70 19.037 17.236 7.483 1.00 0.00 N ATOM 1030 CA SER X 70 18.690 15.826 7.351 1.00 0.00 C ATOM 1031 C SER X 70 18.006 15.320 8.618 1.00 0.00 C ATOM 1032 O SER X 70 17.083 14.509 8.555 1.00 0.00 O ATOM 1033 CB SER X 70 19.948 15.002 7.082 1.00 0.00 C ATOM 1034 OG SER X 70 20.838 15.131 8.183 1.00 0.00 O ATOM 0 H SER X 70 20.038 17.431 7.477 1.00 0.00 H new ATOM 0 HA SER X 70 18.000 15.718 6.514 1.00 0.00 H new ATOM 0 HB2 SER X 70 19.686 13.955 6.932 1.00 0.00 H new ATOM 0 HB3 SER X 70 20.432 15.343 6.167 1.00 0.00 H new ATOM 0 HG SER X 70 20.786 16.042 8.541 1.00 0.00 H new ATOM 1040 N ALA X 71 18.469 15.806 9.765 1.00 0.00 N ATOM 1041 CA ALA X 71 17.897 15.396 11.044 1.00 0.00 C ATOM 1042 C ALA X 71 16.400 15.683 11.077 1.00 0.00 C ATOM 1043 CB ALA X 71 18.589 16.141 12.187 1.00 0.00 C ATOM 0 H ALA X 71 19.232 16.479 9.836 1.00 0.00 H new ATOM 0 HA ALA X 71 18.051 14.324 11.164 1.00 0.00 H new ATOM 0 HB1 ALA X 71 18.157 15.830 13.138 1.00 0.00 H new ATOM 0 HB2 ALA X 71 19.654 15.910 12.179 1.00 0.00 H new ATOM 0 HB3 ALA X 71 18.449 17.214 12.059 1.00 0.00 H new TER 1049 ALA X 71