USER MOD reduce.3.24.130724 H: found=0, std=0, add=682, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 685 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 9 TYR OH : rot -26:sc= 0.444 USER MOD Single : A 12 TYR OH : rot 157:sc= -0.0957 USER MOD Single : A 15 GLN : amide:sc= -0.0172 K(o=-0.017,f=-0.55) USER MOD Single : A 17 GLN : amide:sc= -2.04! K(o=-2!,f=-0.83) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -1.1! K(o=-1.1!,f=-0.28) USER MOD Single : A 22 THR OG1 : rot -31:sc= 1.31 USER MOD Single : A 30 SER OG : rot -3:sc= 0.551 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -22:sc= 0.642 USER MOD Single : A 39 SER OG : rot 36:sc= 0.213 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0.115 USER MOD Single : A 54 GLN : amide:sc= -0.348 X(o=-0.35,f=0) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 THR OG1 : rot -110:sc= -0.0203 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0.0265 USER MOD Single : A 69 SER OG : rot 180:sc=-0.00393 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 CYS SG : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 81:sc= 1.04 USER MOD Single : A 85 THR OG1 : rot 61:sc= 1.3 USER MOD Single : A 91 GLN : amide:sc= 0.567 K(o=0.57,f=-4.9!) USER MOD ----------------------------------------------------------------- ATOM 76 N GLU A 8 7.133 11.914 3.550 1.00 0.00 N ATOM 77 CA GLU A 8 5.778 12.451 3.651 1.00 0.00 C ATOM 78 C GLU A 8 4.728 11.370 3.425 1.00 0.00 C ATOM 79 O GLU A 8 3.540 11.646 3.521 1.00 0.00 O ATOM 80 CB GLU A 8 5.668 13.626 2.670 1.00 0.00 C ATOM 81 CG GLU A 8 6.563 14.812 3.090 1.00 0.00 C ATOM 82 CD GLU A 8 7.965 14.812 2.451 1.00 0.00 C ATOM 83 OE1 GLU A 8 8.836 14.000 2.816 1.00 0.00 O ATOM 84 OE2 GLU A 8 8.197 15.704 1.594 1.00 0.00 O ATOM 0 HA GLU A 8 5.582 12.817 4.659 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.951 13.293 1.672 1.00 0.00 H new ATOM 0 HB3 GLU A 8 4.631 13.956 2.614 1.00 0.00 H new ATOM 0 HG2 GLU A 8 6.058 15.742 2.828 1.00 0.00 H new ATOM 0 HG3 GLU A 8 6.672 14.802 4.175 1.00 0.00 H new ATOM 91 N TYR A 9 5.134 10.120 3.213 1.00 0.00 N ATOM 92 CA TYR A 9 4.218 9.000 3.028 1.00 0.00 C ATOM 93 C TYR A 9 3.322 8.855 4.262 1.00 0.00 C ATOM 94 O TYR A 9 2.125 8.610 4.139 1.00 0.00 O ATOM 95 CB TYR A 9 5.003 7.702 2.768 1.00 0.00 C ATOM 96 CG TYR A 9 6.302 7.829 1.987 1.00 0.00 C ATOM 97 CD1 TYR A 9 6.427 8.713 0.897 1.00 0.00 C ATOM 98 CD2 TYR A 9 7.414 7.068 2.389 1.00 0.00 C ATOM 99 CE1 TYR A 9 7.644 8.792 0.197 1.00 0.00 C ATOM 100 CE2 TYR A 9 8.629 7.151 1.700 1.00 0.00 C ATOM 101 CZ TYR A 9 8.738 7.984 0.574 1.00 0.00 C ATOM 102 OH TYR A 9 9.885 8.002 -0.151 1.00 0.00 O ATOM 0 H TYR A 9 6.118 9.855 3.165 1.00 0.00 H new ATOM 0 HA TYR A 9 3.589 9.194 2.159 1.00 0.00 H new ATOM 0 HB2 TYR A 9 5.229 7.244 3.731 1.00 0.00 H new ATOM 0 HB3 TYR A 9 4.351 7.012 2.232 1.00 0.00 H new ATOM 0 HD1 TYR A 9 5.590 9.328 0.600 1.00 0.00 H new ATOM 0 HD2 TYR A 9 7.329 6.410 3.241 1.00 0.00 H new ATOM 0 HE1 TYR A 9 7.742 9.475 -0.634 1.00 0.00 H new ATOM 0 HE2 TYR A 9 9.481 6.576 2.033 1.00 0.00 H new ATOM 0 HH TYR A 9 9.684 8.259 -1.075 1.00 0.00 H new ATOM 112 N GLY A 10 3.879 9.049 5.457 1.00 0.00 N ATOM 113 CA GLY A 10 3.185 8.926 6.722 1.00 0.00 C ATOM 114 C GLY A 10 2.198 10.060 6.960 1.00 0.00 C ATOM 115 O GLY A 10 1.345 9.916 7.832 1.00 0.00 O ATOM 0 H GLY A 10 4.860 9.305 5.566 1.00 0.00 H new ATOM 0 HA2 GLY A 10 2.654 7.975 6.750 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.914 8.908 7.532 1.00 0.00 H new ATOM 119 N ARG A 11 2.250 11.163 6.203 1.00 0.00 N ATOM 120 CA ARG A 11 1.160 12.125 6.214 1.00 0.00 C ATOM 121 C ARG A 11 -0.100 11.489 5.650 1.00 0.00 C ATOM 122 O ARG A 11 -1.191 11.741 6.153 1.00 0.00 O ATOM 123 CB ARG A 11 1.525 13.368 5.392 1.00 0.00 C ATOM 124 CG ARG A 11 2.331 14.397 6.169 1.00 0.00 C ATOM 125 CD ARG A 11 3.765 14.535 5.683 1.00 0.00 C ATOM 126 NE ARG A 11 4.272 15.858 6.042 1.00 0.00 N ATOM 127 CZ ARG A 11 4.612 16.270 7.258 1.00 0.00 C ATOM 128 NH1 ARG A 11 4.845 15.401 8.233 1.00 0.00 N ATOM 129 NH2 ARG A 11 4.689 17.574 7.481 1.00 0.00 N ATOM 0 H ARG A 11 3.026 11.403 5.586 1.00 0.00 H new ATOM 0 HA ARG A 11 0.981 12.429 7.245 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.095 13.059 4.516 1.00 0.00 H new ATOM 0 HB3 ARG A 11 0.609 13.835 5.029 1.00 0.00 H new ATOM 0 HG2 ARG A 11 1.836 15.365 6.096 1.00 0.00 H new ATOM 0 HG3 ARG A 11 2.338 14.121 7.223 1.00 0.00 H new ATOM 0 HD2 ARG A 11 4.389 13.761 6.130 1.00 0.00 H new ATOM 0 HD3 ARG A 11 3.810 14.397 4.603 1.00 0.00 H new ATOM 0 HE ARG A 11 4.375 16.532 5.283 1.00 0.00 H new ATOM 0 HH11 ARG A 11 4.764 14.400 8.054 1.00 0.00 H new ATOM 0 HH12 ARG A 11 5.105 15.734 9.161 1.00 0.00 H new ATOM 0 HH21 ARG A 11 4.489 18.233 6.728 1.00 0.00 H new ATOM 0 HH22 ARG A 11 4.948 17.919 8.405 1.00 0.00 H new ATOM 143 N TYR A 12 0.037 10.703 4.585 1.00 0.00 N ATOM 144 CA TYR A 12 -1.102 10.155 3.873 1.00 0.00 C ATOM 145 C TYR A 12 -1.551 8.858 4.519 1.00 0.00 C ATOM 146 O TYR A 12 -2.740 8.677 4.720 1.00 0.00 O ATOM 147 CB TYR A 12 -0.755 9.921 2.404 1.00 0.00 C ATOM 148 CG TYR A 12 0.000 10.989 1.680 1.00 0.00 C ATOM 149 CD1 TYR A 12 -0.055 12.354 2.018 1.00 0.00 C ATOM 150 CD2 TYR A 12 0.776 10.578 0.604 1.00 0.00 C ATOM 151 CE1 TYR A 12 0.747 13.288 1.316 1.00 0.00 C ATOM 152 CE2 TYR A 12 1.534 11.495 -0.147 1.00 0.00 C ATOM 153 CZ TYR A 12 1.542 12.859 0.227 1.00 0.00 C ATOM 154 OH TYR A 12 2.191 13.764 -0.541 1.00 0.00 O ATOM 0 H TYR A 12 0.940 10.432 4.196 1.00 0.00 H new ATOM 0 HA TYR A 12 -1.919 10.874 3.924 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -0.174 9.001 2.341 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -1.686 9.747 1.865 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -0.707 12.689 2.811 1.00 0.00 H new ATOM 0 HD2 TYR A 12 0.798 9.532 0.338 1.00 0.00 H new ATOM 0 HE1 TYR A 12 0.751 14.327 1.612 1.00 0.00 H new ATOM 0 HE2 TYR A 12 2.104 11.161 -1.001 1.00 0.00 H new ATOM 0 HH TYR A 12 2.949 13.331 -0.986 1.00 0.00 H new ATOM 164 N PHE A 13 -0.625 7.955 4.832 1.00 0.00 N ATOM 165 CA PHE A 13 -0.912 6.627 5.357 1.00 0.00 C ATOM 166 C PHE A 13 -0.783 6.645 6.882 1.00 0.00 C ATOM 167 O PHE A 13 0.310 6.667 7.442 1.00 0.00 O ATOM 168 CB PHE A 13 0.043 5.593 4.746 1.00 0.00 C ATOM 169 CG PHE A 13 0.053 5.469 3.226 1.00 0.00 C ATOM 170 CD1 PHE A 13 -0.989 4.766 2.599 1.00 0.00 C ATOM 171 CD2 PHE A 13 1.112 5.973 2.437 1.00 0.00 C ATOM 172 CE1 PHE A 13 -0.968 4.537 1.212 1.00 0.00 C ATOM 173 CE2 PHE A 13 1.125 5.767 1.041 1.00 0.00 C ATOM 174 CZ PHE A 13 0.093 5.031 0.436 1.00 0.00 C ATOM 0 H PHE A 13 0.373 8.134 4.724 1.00 0.00 H new ATOM 0 HA PHE A 13 -1.930 6.346 5.089 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.055 5.833 5.072 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.204 4.617 5.163 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.815 4.397 3.189 1.00 0.00 H new ATOM 0 HD2 PHE A 13 1.917 6.520 2.906 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.767 3.982 0.744 1.00 0.00 H new ATOM 0 HE2 PHE A 13 1.925 6.174 0.440 1.00 0.00 H new ATOM 0 HZ PHE A 13 0.115 4.845 -0.628 1.00 0.00 H new ATOM 184 N GLU A 14 -1.923 6.619 7.545 1.00 0.00 N ATOM 185 CA GLU A 14 -2.106 6.610 8.989 1.00 0.00 C ATOM 186 C GLU A 14 -2.043 5.187 9.520 1.00 0.00 C ATOM 187 O GLU A 14 -2.306 4.240 8.788 1.00 0.00 O ATOM 188 CB GLU A 14 -3.486 7.191 9.305 1.00 0.00 C ATOM 189 CG GLU A 14 -3.807 7.365 10.797 1.00 0.00 C ATOM 190 CD GLU A 14 -4.943 8.376 10.942 1.00 0.00 C ATOM 191 OE1 GLU A 14 -4.643 9.588 10.946 1.00 0.00 O ATOM 192 OE2 GLU A 14 -6.113 7.935 11.067 1.00 0.00 O ATOM 0 H GLU A 14 -2.816 6.602 7.052 1.00 0.00 H new ATOM 0 HA GLU A 14 -1.318 7.200 9.457 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -3.572 8.162 8.818 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.243 6.544 8.862 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.094 6.409 11.235 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -2.924 7.710 11.335 1.00 0.00 H new ATOM 199 N GLN A 15 -1.787 5.027 10.812 1.00 0.00 N ATOM 200 CA GLN A 15 -1.512 3.731 11.423 1.00 0.00 C ATOM 201 C GLN A 15 -2.640 2.705 11.351 1.00 0.00 C ATOM 202 O GLN A 15 -2.360 1.512 11.376 1.00 0.00 O ATOM 203 CB GLN A 15 -1.005 3.942 12.863 1.00 0.00 C ATOM 204 CG GLN A 15 -0.799 2.648 13.684 1.00 0.00 C ATOM 205 CD GLN A 15 0.189 2.787 14.836 1.00 0.00 C ATOM 206 OE1 GLN A 15 1.211 3.466 14.756 1.00 0.00 O ATOM 207 NE2 GLN A 15 -0.046 2.137 15.956 1.00 0.00 N ATOM 0 H GLN A 15 -1.764 5.803 11.474 1.00 0.00 H new ATOM 0 HA GLN A 15 -0.734 3.272 10.814 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -0.059 4.482 12.823 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -1.714 4.580 13.391 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -1.761 2.328 14.083 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -0.452 1.859 13.016 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -0.887 1.567 16.048 1.00 0.00 H new ATOM 0 HE22 GLN A 15 0.613 2.204 16.732 1.00 0.00 H new ATOM 216 N LEU A 16 -3.885 3.142 11.227 1.00 0.00 N ATOM 217 CA LEU A 16 -5.081 2.304 11.199 1.00 0.00 C ATOM 218 C LEU A 16 -5.957 2.708 10.005 1.00 0.00 C ATOM 219 O LEU A 16 -7.161 2.422 9.966 1.00 0.00 O ATOM 220 CB LEU A 16 -5.884 2.436 12.514 1.00 0.00 C ATOM 221 CG LEU A 16 -5.090 2.480 13.834 1.00 0.00 C ATOM 222 CD1 LEU A 16 -6.024 2.828 14.993 1.00 0.00 C ATOM 223 CD2 LEU A 16 -4.392 1.155 14.137 1.00 0.00 C ATOM 0 H LEU A 16 -4.102 4.135 11.139 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.775 1.263 11.096 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.483 3.345 12.452 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -6.580 1.599 12.568 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.323 3.246 13.719 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.455 2.857 15.922 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -6.478 3.803 14.815 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -6.806 2.072 15.070 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.846 1.238 15.077 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -5.136 0.362 14.218 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.695 0.919 13.333 1.00 0.00 H new ATOM 235 N GLN A 17 -5.388 3.444 9.044 1.00 0.00 N ATOM 236 CA GLN A 17 -6.016 3.607 7.741 1.00 0.00 C ATOM 237 C GLN A 17 -6.046 2.263 7.018 1.00 0.00 C ATOM 238 O GLN A 17 -5.439 1.285 7.445 1.00 0.00 O ATOM 239 CB GLN A 17 -5.285 4.681 6.915 1.00 0.00 C ATOM 240 CG GLN A 17 -6.085 5.992 6.852 1.00 0.00 C ATOM 241 CD GLN A 17 -5.268 7.095 6.188 1.00 0.00 C ATOM 242 OE1 GLN A 17 -5.072 8.176 6.718 1.00 0.00 O ATOM 243 NE2 GLN A 17 -4.718 6.831 5.019 1.00 0.00 N ATOM 0 H GLN A 17 -4.498 3.932 9.149 1.00 0.00 H new ATOM 0 HA GLN A 17 -7.043 3.948 7.874 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -4.306 4.873 7.353 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -5.115 4.310 5.904 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -7.009 5.833 6.296 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -6.368 6.299 7.859 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -4.879 5.928 4.572 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -4.132 7.529 4.562 1.00 0.00 H new ATOM 252 N LYS A 18 -6.738 2.222 5.886 1.00 0.00 N ATOM 253 CA LYS A 18 -6.665 1.116 4.950 1.00 0.00 C ATOM 254 C LYS A 18 -5.867 1.547 3.739 1.00 0.00 C ATOM 255 O LYS A 18 -5.793 2.742 3.435 1.00 0.00 O ATOM 256 CB LYS A 18 -8.074 0.677 4.539 1.00 0.00 C ATOM 257 CG LYS A 18 -8.730 -0.234 5.576 1.00 0.00 C ATOM 258 CD LYS A 18 -9.424 0.479 6.747 1.00 0.00 C ATOM 259 CE LYS A 18 -10.891 0.732 6.387 1.00 0.00 C ATOM 260 NZ LYS A 18 -11.304 2.117 6.667 1.00 0.00 N ATOM 0 H LYS A 18 -7.371 2.966 5.592 1.00 0.00 H new ATOM 0 HA LYS A 18 -6.171 0.267 5.423 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -8.697 1.559 4.390 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -8.024 0.156 3.583 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -9.465 -0.860 5.069 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -7.968 -0.900 5.981 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -9.359 -0.130 7.649 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -8.922 1.422 6.962 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -11.046 0.516 5.330 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -11.524 0.046 6.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -12.304 2.240 6.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -11.182 2.318 7.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.719 2.773 6.111 1.00 0.00 H new ATOM 274 N VAL A 19 -5.355 0.565 3.007 1.00 0.00 N ATOM 275 CA VAL A 19 -4.786 0.756 1.683 1.00 0.00 C ATOM 276 C VAL A 19 -5.439 -0.240 0.736 1.00 0.00 C ATOM 277 O VAL A 19 -6.111 -1.179 1.182 1.00 0.00 O ATOM 278 CB VAL A 19 -3.252 0.653 1.730 1.00 0.00 C ATOM 279 CG1 VAL A 19 -2.688 1.712 2.683 1.00 0.00 C ATOM 280 CG2 VAL A 19 -2.748 -0.725 2.183 1.00 0.00 C ATOM 0 H VAL A 19 -5.324 -0.404 3.325 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.994 1.758 1.308 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.905 0.813 0.709 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.601 1.634 2.712 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.971 2.705 2.333 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.090 1.552 3.684 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.658 -0.728 2.194 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -3.121 -0.938 3.185 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.106 -1.489 1.493 1.00 0.00 H new ATOM 290 N ASN A 20 -5.294 -0.022 -0.567 1.00 0.00 N ATOM 291 CA ASN A 20 -5.620 -1.015 -1.568 1.00 0.00 C ATOM 292 C ASN A 20 -4.506 -2.075 -1.618 1.00 0.00 C ATOM 293 O ASN A 20 -3.382 -1.772 -1.216 1.00 0.00 O ATOM 294 CB ASN A 20 -5.764 -0.279 -2.911 1.00 0.00 C ATOM 295 CG ASN A 20 -6.732 -0.945 -3.868 1.00 0.00 C ATOM 296 OD1 ASN A 20 -6.825 -0.543 -5.024 1.00 0.00 O ATOM 297 ND2 ASN A 20 -7.510 -1.913 -3.430 1.00 0.00 N ATOM 0 H ASN A 20 -4.945 0.855 -0.954 1.00 0.00 H new ATOM 0 HA ASN A 20 -6.551 -1.532 -1.335 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -6.097 0.742 -2.722 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -4.785 -0.212 -3.386 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -8.198 -2.336 -4.053 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -7.425 -2.240 -2.468 1.00 0.00 H new ATOM 304 N LEU A 21 -4.762 -3.279 -2.147 1.00 0.00 N ATOM 305 CA LEU A 21 -3.796 -4.385 -2.155 1.00 0.00 C ATOM 306 C LEU A 21 -3.501 -4.807 -3.586 1.00 0.00 C ATOM 307 O LEU A 21 -3.513 -5.991 -3.911 1.00 0.00 O ATOM 308 CB LEU A 21 -4.277 -5.597 -1.338 1.00 0.00 C ATOM 309 CG LEU A 21 -4.329 -5.459 0.184 1.00 0.00 C ATOM 310 CD1 LEU A 21 -4.808 -6.812 0.723 1.00 0.00 C ATOM 311 CD2 LEU A 21 -2.944 -5.100 0.742 1.00 0.00 C ATOM 0 H LEU A 21 -5.653 -3.514 -2.585 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.885 -4.019 -1.681 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.277 -5.858 -1.684 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.627 -6.439 -1.575 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.004 -4.659 0.488 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.864 -6.771 1.811 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.794 -7.037 0.317 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.107 -7.591 0.425 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.002 -5.006 1.826 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.233 -5.884 0.483 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.613 -4.154 0.313 1.00 0.00 H new ATOM 323 N THR A 22 -3.273 -3.838 -4.458 1.00 0.00 N ATOM 324 CA THR A 22 -3.122 -4.079 -5.872 1.00 0.00 C ATOM 325 C THR A 22 -1.782 -4.786 -6.123 1.00 0.00 C ATOM 326 O THR A 22 -0.752 -4.116 -6.207 1.00 0.00 O ATOM 327 CB THR A 22 -3.229 -2.717 -6.562 1.00 0.00 C ATOM 328 OG1 THR A 22 -4.280 -1.929 -6.009 1.00 0.00 O ATOM 329 CG2 THR A 22 -3.507 -2.911 -8.038 1.00 0.00 C ATOM 0 H THR A 22 -3.188 -2.856 -4.196 1.00 0.00 H new ATOM 0 HA THR A 22 -3.892 -4.737 -6.276 1.00 0.00 H new ATOM 0 HB THR A 22 -2.282 -2.199 -6.411 1.00 0.00 H new ATOM 0 HG1 THR A 22 -5.000 -2.516 -5.698 1.00 0.00 H new ATOM 0 HG21 THR A 22 -3.582 -1.939 -8.525 1.00 0.00 H new ATOM 0 HG22 THR A 22 -2.695 -3.481 -8.489 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.444 -3.453 -8.164 1.00 0.00 H new ATOM 337 N VAL A 23 -1.752 -6.120 -6.210 1.00 0.00 N ATOM 338 CA VAL A 23 -0.515 -6.881 -6.437 1.00 0.00 C ATOM 339 C VAL A 23 -0.378 -7.172 -7.923 1.00 0.00 C ATOM 340 O VAL A 23 -1.313 -7.676 -8.545 1.00 0.00 O ATOM 341 CB VAL A 23 -0.466 -8.187 -5.607 1.00 0.00 C ATOM 342 CG1 VAL A 23 0.891 -8.905 -5.719 1.00 0.00 C ATOM 343 CG2 VAL A 23 -0.702 -7.923 -4.116 1.00 0.00 C ATOM 0 H VAL A 23 -2.584 -6.704 -6.125 1.00 0.00 H new ATOM 0 HA VAL A 23 0.327 -6.276 -6.101 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.257 -8.812 -6.021 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.872 -9.814 -5.118 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.082 -9.162 -6.761 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.681 -8.248 -5.357 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.660 -8.865 -3.569 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.068 -7.249 -3.739 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.682 -7.467 -3.978 1.00 0.00 H new ATOM 353 N ARG A 24 0.802 -6.890 -8.476 1.00 0.00 N ATOM 354 CA ARG A 24 1.221 -7.305 -9.802 1.00 0.00 C ATOM 355 C ARG A 24 1.468 -8.804 -9.802 1.00 0.00 C ATOM 356 O ARG A 24 2.311 -9.297 -9.058 1.00 0.00 O ATOM 357 CB ARG A 24 2.514 -6.546 -10.102 1.00 0.00 C ATOM 358 CG ARG A 24 3.121 -6.811 -11.468 1.00 0.00 C ATOM 359 CD ARG A 24 4.352 -5.916 -11.631 1.00 0.00 C ATOM 360 NE ARG A 24 4.951 -6.061 -12.956 1.00 0.00 N ATOM 361 CZ ARG A 24 4.469 -5.615 -14.116 1.00 0.00 C ATOM 362 NH1 ARG A 24 3.378 -4.862 -14.179 1.00 0.00 N ATOM 363 NH2 ARG A 24 5.093 -5.964 -15.230 1.00 0.00 N ATOM 0 H ARG A 24 1.514 -6.346 -7.989 1.00 0.00 H new ATOM 0 HA ARG A 24 0.464 -7.090 -10.557 1.00 0.00 H new ATOM 0 HB2 ARG A 24 2.318 -5.478 -10.011 1.00 0.00 H new ATOM 0 HB3 ARG A 24 3.250 -6.801 -9.340 1.00 0.00 H new ATOM 0 HG2 ARG A 24 3.400 -7.861 -11.562 1.00 0.00 H new ATOM 0 HG3 ARG A 24 2.394 -6.603 -12.253 1.00 0.00 H new ATOM 0 HD2 ARG A 24 4.070 -4.875 -11.471 1.00 0.00 H new ATOM 0 HD3 ARG A 24 5.089 -6.168 -10.868 1.00 0.00 H new ATOM 0 HE ARG A 24 5.839 -6.561 -12.998 1.00 0.00 H new ATOM 0 HH11 ARG A 24 2.883 -4.609 -13.324 1.00 0.00 H new ATOM 0 HH12 ARG A 24 3.035 -4.536 -15.083 1.00 0.00 H new ATOM 0 HH21 ARG A 24 5.920 -6.559 -15.186 1.00 0.00 H new ATOM 0 HH22 ARG A 24 4.747 -5.638 -16.132 1.00 0.00 H new ATOM 377 N LEU A 25 0.766 -9.553 -10.641 1.00 0.00 N ATOM 378 CA LEU A 25 1.030 -10.962 -10.866 1.00 0.00 C ATOM 379 C LEU A 25 1.706 -11.131 -12.225 1.00 0.00 C ATOM 380 O LEU A 25 1.141 -11.692 -13.172 1.00 0.00 O ATOM 381 CB LEU A 25 -0.221 -11.794 -10.706 1.00 0.00 C ATOM 382 CG LEU A 25 -0.672 -11.986 -9.255 1.00 0.00 C ATOM 383 CD1 LEU A 25 0.248 -12.865 -8.408 1.00 0.00 C ATOM 384 CD2 LEU A 25 -1.052 -10.811 -8.381 1.00 0.00 C ATOM 0 H LEU A 25 -0.013 -9.191 -11.191 1.00 0.00 H new ATOM 0 HA LEU A 25 1.716 -11.336 -10.106 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.029 -11.324 -11.266 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.051 -12.773 -11.153 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.614 -12.463 -9.524 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.152 -12.943 -7.397 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.311 -13.859 -8.851 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.243 -12.421 -8.371 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.340 -11.170 -7.393 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.201 -10.136 -8.288 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.889 -10.278 -8.831 1.00 0.00 H new ATOM 436 N SER A 30 -3.439 -9.294 -11.993 1.00 0.00 N ATOM 437 CA SER A 30 -3.196 -8.534 -10.782 1.00 0.00 C ATOM 438 C SER A 30 -4.324 -8.771 -9.779 1.00 0.00 C ATOM 439 O SER A 30 -5.497 -8.739 -10.149 1.00 0.00 O ATOM 440 CB SER A 30 -2.965 -7.035 -11.101 1.00 0.00 C ATOM 441 OG SER A 30 -3.146 -6.676 -12.471 1.00 0.00 O ATOM 0 HA SER A 30 -2.276 -8.884 -10.315 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.646 -6.440 -10.492 1.00 0.00 H new ATOM 0 HB3 SER A 30 -1.952 -6.767 -10.801 1.00 0.00 H new ATOM 0 HG SER A 30 -3.348 -7.479 -12.996 1.00 0.00 H new ATOM 447 N PHE A 31 -3.972 -9.092 -8.534 1.00 0.00 N ATOM 448 CA PHE A 31 -4.904 -9.275 -7.430 1.00 0.00 C ATOM 449 C PHE A 31 -5.197 -7.899 -6.816 1.00 0.00 C ATOM 450 O PHE A 31 -4.393 -6.975 -6.973 1.00 0.00 O ATOM 451 CB PHE A 31 -4.312 -10.284 -6.416 1.00 0.00 C ATOM 452 CG PHE A 31 -5.119 -10.390 -5.135 1.00 0.00 C ATOM 453 CD1 PHE A 31 -6.303 -11.153 -5.109 1.00 0.00 C ATOM 454 CD2 PHE A 31 -4.770 -9.607 -4.015 1.00 0.00 C ATOM 455 CE1 PHE A 31 -7.136 -11.124 -3.976 1.00 0.00 C ATOM 456 CE2 PHE A 31 -5.604 -9.578 -2.883 1.00 0.00 C ATOM 457 CZ PHE A 31 -6.789 -10.336 -2.865 1.00 0.00 C ATOM 0 H PHE A 31 -3.000 -9.235 -8.261 1.00 0.00 H new ATOM 0 HA PHE A 31 -5.851 -9.697 -7.768 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -4.254 -11.267 -6.883 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -3.292 -9.987 -6.171 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -6.571 -11.761 -5.960 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -3.859 -9.027 -4.027 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -8.044 -11.708 -3.960 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -5.335 -8.975 -2.029 1.00 0.00 H new ATOM 0 HZ PHE A 31 -7.432 -10.312 -1.998 1.00 0.00 H new ATOM 467 N ASP A 32 -6.314 -7.744 -6.103 1.00 0.00 N ATOM 468 CA ASP A 32 -6.656 -6.511 -5.402 1.00 0.00 C ATOM 469 C ASP A 32 -7.580 -6.817 -4.231 1.00 0.00 C ATOM 470 O ASP A 32 -8.407 -7.729 -4.316 1.00 0.00 O ATOM 471 CB ASP A 32 -7.310 -5.537 -6.378 1.00 0.00 C ATOM 472 CG ASP A 32 -7.406 -4.126 -5.834 1.00 0.00 C ATOM 473 OD1 ASP A 32 -8.409 -3.776 -5.176 1.00 0.00 O ATOM 474 OD2 ASP A 32 -6.477 -3.338 -6.113 1.00 0.00 O ATOM 0 H ASP A 32 -7.012 -8.480 -5.997 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.751 -6.050 -5.006 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -6.739 -5.524 -7.307 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -8.310 -5.894 -6.623 1.00 0.00 H new ATOM 479 N GLY A 33 -7.428 -6.074 -3.133 1.00 0.00 N ATOM 480 CA GLY A 33 -8.159 -6.312 -1.896 1.00 0.00 C ATOM 481 C GLY A 33 -7.988 -5.171 -0.894 1.00 0.00 C ATOM 482 O GLY A 33 -7.453 -4.108 -1.234 1.00 0.00 O ATOM 0 H GLY A 33 -6.786 -5.283 -3.082 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -9.218 -6.440 -2.121 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -7.814 -7.243 -1.446 1.00 0.00 H new ATOM 486 N THR A 34 -8.417 -5.403 0.348 1.00 0.00 N ATOM 487 CA THR A 34 -8.398 -4.443 1.444 1.00 0.00 C ATOM 488 C THR A 34 -7.485 -4.974 2.544 1.00 0.00 C ATOM 489 O THR A 34 -7.629 -6.122 2.967 1.00 0.00 O ATOM 490 CB THR A 34 -9.815 -4.238 2.028 1.00 0.00 C ATOM 491 OG1 THR A 34 -10.862 -4.639 1.163 1.00 0.00 O ATOM 492 CG2 THR A 34 -10.022 -2.774 2.413 1.00 0.00 C ATOM 0 H THR A 34 -8.803 -6.305 0.625 1.00 0.00 H new ATOM 0 HA THR A 34 -8.036 -3.487 1.065 1.00 0.00 H new ATOM 0 HB THR A 34 -9.864 -4.884 2.905 1.00 0.00 H new ATOM 0 HG1 THR A 34 -11.725 -4.482 1.599 1.00 0.00 H new ATOM 0 HG21 THR A 34 -11.024 -2.644 2.823 1.00 0.00 H new ATOM 0 HG22 THR A 34 -9.284 -2.487 3.161 1.00 0.00 H new ATOM 0 HG23 THR A 34 -9.907 -2.146 1.530 1.00 0.00 H new ATOM 500 N ALA A 35 -6.603 -4.125 3.068 1.00 0.00 N ATOM 501 CA ALA A 35 -5.953 -4.389 4.340 1.00 0.00 C ATOM 502 C ALA A 35 -5.911 -3.092 5.124 1.00 0.00 C ATOM 503 O ALA A 35 -5.670 -2.019 4.556 1.00 0.00 O ATOM 504 CB ALA A 35 -4.537 -4.914 4.115 1.00 0.00 C ATOM 0 H ALA A 35 -6.325 -3.248 2.627 1.00 0.00 H new ATOM 0 HA ALA A 35 -6.508 -5.147 4.893 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.063 -5.107 5.078 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.579 -5.839 3.539 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -3.956 -4.172 3.567 1.00 0.00 H new ATOM 510 N ALA A 36 -6.151 -3.203 6.423 1.00 0.00 N ATOM 511 CA ALA A 36 -5.852 -2.180 7.399 1.00 0.00 C ATOM 512 C ALA A 36 -4.352 -2.160 7.652 1.00 0.00 C ATOM 513 O ALA A 36 -3.666 -3.181 7.568 1.00 0.00 O ATOM 514 CB ALA A 36 -6.636 -2.482 8.676 1.00 0.00 C ATOM 0 H ALA A 36 -6.573 -4.036 6.833 1.00 0.00 H new ATOM 0 HA ALA A 36 -6.146 -1.194 7.038 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.421 -1.719 9.424 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -7.703 -2.484 8.456 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.343 -3.459 9.060 1.00 0.00 H new ATOM 520 N ILE A 37 -3.853 -0.968 7.942 1.00 0.00 N ATOM 521 CA ILE A 37 -2.506 -0.701 8.395 1.00 0.00 C ATOM 522 C ILE A 37 -2.438 -1.134 9.871 1.00 0.00 C ATOM 523 O ILE A 37 -3.454 -1.273 10.563 1.00 0.00 O ATOM 524 CB ILE A 37 -2.195 0.796 8.123 1.00 0.00 C ATOM 525 CG1 ILE A 37 -2.282 1.105 6.600 1.00 0.00 C ATOM 526 CG2 ILE A 37 -0.815 1.251 8.636 1.00 0.00 C ATOM 527 CD1 ILE A 37 -2.387 2.603 6.296 1.00 0.00 C ATOM 0 H ILE A 37 -4.411 -0.118 7.862 1.00 0.00 H new ATOM 0 HA ILE A 37 -1.734 -1.261 7.867 1.00 0.00 H new ATOM 0 HB ILE A 37 -2.950 1.351 8.679 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.401 0.700 6.102 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -3.148 0.594 6.180 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -0.672 2.307 8.408 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -0.760 1.102 9.714 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -0.035 0.666 8.149 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -2.444 2.752 5.218 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.283 3.008 6.767 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -1.508 3.116 6.687 1.00 0.00 H new ATOM 539 N THR A 38 -1.208 -1.373 10.319 1.00 0.00 N ATOM 540 CA THR A 38 -0.850 -1.825 11.657 1.00 0.00 C ATOM 541 C THR A 38 0.443 -1.165 12.171 1.00 0.00 C ATOM 542 O THR A 38 0.556 -0.906 13.366 1.00 0.00 O ATOM 543 CB THR A 38 -0.744 -3.366 11.673 1.00 0.00 C ATOM 544 OG1 THR A 38 0.195 -3.851 10.723 1.00 0.00 O ATOM 545 CG2 THR A 38 -2.068 -4.082 11.378 1.00 0.00 C ATOM 0 H THR A 38 -0.390 -1.249 9.723 1.00 0.00 H new ATOM 0 HA THR A 38 -1.640 -1.516 12.342 1.00 0.00 H new ATOM 0 HB THR A 38 -0.427 -3.588 12.692 1.00 0.00 H new ATOM 0 HG1 THR A 38 0.327 -3.180 10.022 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.913 -5.160 11.407 1.00 0.00 H new ATOM 0 HG22 THR A 38 -2.808 -3.802 12.127 1.00 0.00 H new ATOM 0 HG23 THR A 38 -2.425 -3.793 10.390 1.00 0.00 H new ATOM 553 N SER A 39 1.422 -0.856 11.305 1.00 0.00 N ATOM 554 CA SER A 39 2.684 -0.233 11.718 1.00 0.00 C ATOM 555 C SER A 39 3.344 0.494 10.547 1.00 0.00 C ATOM 556 O SER A 39 3.415 -0.056 9.453 1.00 0.00 O ATOM 557 CB SER A 39 3.621 -1.325 12.214 1.00 0.00 C ATOM 558 OG SER A 39 3.521 -1.478 13.615 1.00 0.00 O ATOM 0 H SER A 39 1.358 -1.032 10.302 1.00 0.00 H new ATOM 0 HA SER A 39 2.480 0.493 12.505 1.00 0.00 H new ATOM 0 HB2 SER A 39 3.379 -2.268 11.723 1.00 0.00 H new ATOM 0 HB3 SER A 39 4.648 -1.079 11.944 1.00 0.00 H new ATOM 0 HG SER A 39 2.592 -1.341 13.894 1.00 0.00 H new ATOM 564 N LEU A 40 3.875 1.696 10.756 1.00 0.00 N ATOM 565 CA LEU A 40 4.421 2.587 9.737 1.00 0.00 C ATOM 566 C LEU A 40 5.731 3.131 10.259 1.00 0.00 C ATOM 567 O LEU A 40 5.875 3.413 11.447 1.00 0.00 O ATOM 568 CB LEU A 40 3.432 3.708 9.412 1.00 0.00 C ATOM 569 CG LEU A 40 3.865 4.781 8.388 1.00 0.00 C ATOM 570 CD1 LEU A 40 4.642 5.958 8.995 1.00 0.00 C ATOM 571 CD2 LEU A 40 4.517 4.276 7.097 1.00 0.00 C ATOM 0 H LEU A 40 3.939 2.096 11.692 1.00 0.00 H new ATOM 0 HA LEU A 40 4.593 2.047 8.806 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.514 3.248 9.046 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.185 4.216 10.344 1.00 0.00 H new ATOM 0 HG LEU A 40 2.896 5.164 8.068 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.907 6.664 8.208 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.021 6.459 9.738 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.550 5.588 9.471 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.774 5.125 6.463 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.421 3.717 7.340 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.820 3.626 6.568 1.00 0.00 H new ATOM 583 N LYS A 41 6.691 3.246 9.357 1.00 0.00 N ATOM 584 CA LYS A 41 7.986 3.848 9.619 1.00 0.00 C ATOM 585 C LYS A 41 8.599 4.253 8.283 1.00 0.00 C ATOM 586 O LYS A 41 9.260 3.447 7.629 1.00 0.00 O ATOM 587 CB LYS A 41 8.877 2.850 10.378 1.00 0.00 C ATOM 588 CG LYS A 41 10.179 3.504 10.875 1.00 0.00 C ATOM 589 CD LYS A 41 11.412 2.668 10.523 1.00 0.00 C ATOM 590 CE LYS A 41 11.414 1.311 11.245 1.00 0.00 C ATOM 591 NZ LYS A 41 12.456 1.249 12.287 1.00 0.00 N ATOM 0 H LYS A 41 6.588 2.915 8.398 1.00 0.00 H new ATOM 0 HA LYS A 41 7.887 4.735 10.245 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.327 2.446 11.228 1.00 0.00 H new ATOM 0 HB3 LYS A 41 9.119 2.011 9.726 1.00 0.00 H new ATOM 0 HG2 LYS A 41 10.277 4.497 10.435 1.00 0.00 H new ATOM 0 HG3 LYS A 41 10.128 3.637 11.956 1.00 0.00 H new ATOM 0 HD2 LYS A 41 11.444 2.505 9.446 1.00 0.00 H new ATOM 0 HD3 LYS A 41 12.313 3.221 10.789 1.00 0.00 H new ATOM 0 HE2 LYS A 41 10.437 1.138 11.696 1.00 0.00 H new ATOM 0 HE3 LYS A 41 11.576 0.513 10.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 12.427 0.319 12.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 13.390 1.390 11.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 12.287 1.994 12.992 1.00 0.00 H new ATOM 605 N GLY A 42 8.400 5.498 7.862 1.00 0.00 N ATOM 606 CA GLY A 42 9.010 6.016 6.644 1.00 0.00 C ATOM 607 C GLY A 42 8.460 5.275 5.441 1.00 0.00 C ATOM 608 O GLY A 42 7.258 5.031 5.362 1.00 0.00 O ATOM 0 H GLY A 42 7.814 6.173 8.353 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.807 7.083 6.550 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.093 5.900 6.691 1.00 0.00 H new ATOM 612 N SER A 43 9.338 4.896 4.517 1.00 0.00 N ATOM 613 CA SER A 43 9.087 4.013 3.380 1.00 0.00 C ATOM 614 C SER A 43 8.810 2.563 3.792 1.00 0.00 C ATOM 615 O SER A 43 9.175 1.653 3.054 1.00 0.00 O ATOM 616 CB SER A 43 10.265 4.134 2.393 1.00 0.00 C ATOM 617 OG SER A 43 11.502 4.444 3.026 1.00 0.00 O ATOM 0 H SER A 43 10.306 5.217 4.543 1.00 0.00 H new ATOM 0 HA SER A 43 8.170 4.333 2.886 1.00 0.00 H new ATOM 0 HB2 SER A 43 10.370 3.197 1.847 1.00 0.00 H new ATOM 0 HB3 SER A 43 10.037 4.907 1.659 1.00 0.00 H new ATOM 0 HG SER A 43 12.209 4.506 2.350 1.00 0.00 H new ATOM 623 N LEU A 44 8.178 2.318 4.940 1.00 0.00 N ATOM 624 CA LEU A 44 7.744 0.993 5.353 1.00 0.00 C ATOM 625 C LEU A 44 6.381 1.081 6.016 1.00 0.00 C ATOM 626 O LEU A 44 6.282 1.664 7.095 1.00 0.00 O ATOM 627 CB LEU A 44 8.745 0.367 6.337 1.00 0.00 C ATOM 628 CG LEU A 44 8.569 -1.165 6.404 1.00 0.00 C ATOM 629 CD1 LEU A 44 9.274 -1.860 5.233 1.00 0.00 C ATOM 630 CD2 LEU A 44 9.126 -1.702 7.722 1.00 0.00 C ATOM 0 H LEU A 44 7.952 3.048 5.615 1.00 0.00 H new ATOM 0 HA LEU A 44 7.686 0.364 4.465 1.00 0.00 H new ATOM 0 HB2 LEU A 44 9.762 0.607 6.028 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.603 0.797 7.329 1.00 0.00 H new ATOM 0 HG LEU A 44 7.502 -1.379 6.341 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.131 -2.938 5.310 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.854 -1.504 4.292 1.00 0.00 H new ATOM 0 HD13 LEU A 44 10.340 -1.633 5.263 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.996 -2.784 7.758 1.00 0.00 H new ATOM 0 HD22 LEU A 44 10.187 -1.461 7.794 1.00 0.00 H new ATOM 0 HD23 LEU A 44 8.593 -1.245 8.556 1.00 0.00 H new ATOM 642 N ALA A 45 5.362 0.432 5.462 1.00 0.00 N ATOM 643 CA ALA A 45 4.127 0.153 6.188 1.00 0.00 C ATOM 644 C ALA A 45 4.022 -1.354 6.402 1.00 0.00 C ATOM 645 O ALA A 45 4.638 -2.121 5.669 1.00 0.00 O ATOM 646 CB ALA A 45 2.913 0.687 5.424 1.00 0.00 C ATOM 0 H ALA A 45 5.368 0.086 4.502 1.00 0.00 H new ATOM 0 HA ALA A 45 4.145 0.658 7.154 1.00 0.00 H new ATOM 0 HB1 ALA A 45 2.005 0.467 5.985 1.00 0.00 H new ATOM 0 HB2 ALA A 45 3.009 1.765 5.297 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.860 0.209 4.446 1.00 0.00 H new ATOM 652 N TRP A 46 3.222 -1.772 7.377 1.00 0.00 N ATOM 653 CA TRP A 46 2.817 -3.144 7.649 1.00 0.00 C ATOM 654 C TRP A 46 1.299 -3.181 7.759 1.00 0.00 C ATOM 655 O TRP A 46 0.711 -2.313 8.417 1.00 0.00 O ATOM 656 CB TRP A 46 3.453 -3.649 8.949 1.00 0.00 C ATOM 657 CG TRP A 46 4.812 -4.262 8.817 1.00 0.00 C ATOM 658 CD1 TRP A 46 5.985 -3.600 8.707 1.00 0.00 C ATOM 659 CD2 TRP A 46 5.139 -5.679 8.730 1.00 0.00 C ATOM 660 NE1 TRP A 46 7.018 -4.513 8.595 1.00 0.00 N ATOM 661 CE2 TRP A 46 6.553 -5.812 8.617 1.00 0.00 C ATOM 662 CE3 TRP A 46 4.377 -6.866 8.711 1.00 0.00 C ATOM 663 CZ2 TRP A 46 7.182 -7.060 8.504 1.00 0.00 C ATOM 664 CZ3 TRP A 46 4.993 -8.120 8.570 1.00 0.00 C ATOM 665 CH2 TRP A 46 6.392 -8.222 8.476 1.00 0.00 C ATOM 0 H TRP A 46 2.813 -1.116 8.042 1.00 0.00 H new ATOM 0 HA TRP A 46 3.152 -3.793 6.840 1.00 0.00 H new ATOM 0 HB2 TRP A 46 3.518 -2.814 9.647 1.00 0.00 H new ATOM 0 HB3 TRP A 46 2.785 -4.386 9.395 1.00 0.00 H new ATOM 0 HD1 TRP A 46 6.098 -2.526 8.707 1.00 0.00 H new ATOM 0 HE1 TRP A 46 8.002 -4.258 8.507 1.00 0.00 H new ATOM 0 HE3 TRP A 46 3.303 -6.809 8.806 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 8.258 -7.127 8.439 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 4.387 -9.013 8.533 1.00 0.00 H new ATOM 0 HH2 TRP A 46 6.859 -9.191 8.382 1.00 0.00 H new ATOM 676 N LEU A 47 0.680 -4.184 7.133 1.00 0.00 N ATOM 677 CA LEU A 47 -0.757 -4.360 7.015 1.00 0.00 C ATOM 678 C LEU A 47 -1.211 -5.693 7.638 1.00 0.00 C ATOM 679 O LEU A 47 -0.392 -6.516 8.064 1.00 0.00 O ATOM 680 CB LEU A 47 -1.186 -4.342 5.537 1.00 0.00 C ATOM 681 CG LEU A 47 -0.662 -3.276 4.563 1.00 0.00 C ATOM 682 CD1 LEU A 47 -0.823 -1.846 5.087 1.00 0.00 C ATOM 683 CD2 LEU A 47 0.760 -3.529 4.062 1.00 0.00 C ATOM 0 H LEU A 47 1.201 -4.931 6.673 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.226 -3.534 7.550 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.920 -5.312 5.118 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.274 -4.276 5.523 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.311 -3.376 3.693 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.433 -1.143 4.351 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.879 -1.640 5.263 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.272 -1.736 6.021 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.053 -2.731 3.380 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.446 -3.552 4.909 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.797 -4.485 3.539 1.00 0.00 H new ATOM 695 N GLU A 48 -2.525 -5.918 7.629 1.00 0.00 N ATOM 696 CA GLU A 48 -3.223 -7.171 7.904 1.00 0.00 C ATOM 697 C GLU A 48 -4.492 -7.176 7.046 1.00 0.00 C ATOM 698 O GLU A 48 -5.197 -6.169 7.032 1.00 0.00 O ATOM 699 CB GLU A 48 -3.533 -7.221 9.411 1.00 0.00 C ATOM 700 CG GLU A 48 -4.378 -8.435 9.827 1.00 0.00 C ATOM 701 CD GLU A 48 -4.568 -8.544 11.347 1.00 0.00 C ATOM 702 OE1 GLU A 48 -4.715 -7.501 12.024 1.00 0.00 O ATOM 703 OE2 GLU A 48 -4.594 -9.684 11.868 1.00 0.00 O ATOM 0 H GLU A 48 -3.180 -5.167 7.411 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.631 -8.052 7.657 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.595 -7.235 9.966 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.058 -6.309 9.696 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -5.355 -8.371 9.348 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.902 -9.344 9.460 1.00 0.00 H new ATOM 710 N LEU A 49 -4.771 -8.261 6.318 1.00 0.00 N ATOM 711 CA LEU A 49 -5.995 -8.479 5.531 1.00 0.00 C ATOM 712 C LEU A 49 -7.271 -8.361 6.375 1.00 0.00 C ATOM 713 O LEU A 49 -7.247 -8.629 7.578 1.00 0.00 O ATOM 714 CB LEU A 49 -6.003 -9.906 4.948 1.00 0.00 C ATOM 715 CG LEU A 49 -5.578 -10.098 3.487 1.00 0.00 C ATOM 716 CD1 LEU A 49 -5.744 -11.570 3.082 1.00 0.00 C ATOM 717 CD2 LEU A 49 -6.464 -9.293 2.539 1.00 0.00 C ATOM 0 H LEU A 49 -4.124 -9.047 6.256 1.00 0.00 H new ATOM 0 HA LEU A 49 -5.990 -7.712 4.757 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.351 -10.522 5.567 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.012 -10.303 5.055 1.00 0.00 H new ATOM 0 HG LEU A 49 -4.541 -9.769 3.414 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.440 -11.698 2.043 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.122 -12.196 3.722 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -6.788 -11.862 3.193 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.136 -9.451 1.512 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.499 -9.619 2.644 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.391 -8.233 2.784 1.00 0.00 H new ATOM 729 N PHE A 50 -8.404 -8.079 5.718 1.00 0.00 N ATOM 730 CA PHE A 50 -9.682 -7.805 6.373 1.00 0.00 C ATOM 731 C PHE A 50 -10.709 -8.937 6.331 1.00 0.00 C ATOM 732 O PHE A 50 -11.521 -9.049 7.249 1.00 0.00 O ATOM 733 CB PHE A 50 -10.344 -6.579 5.728 1.00 0.00 C ATOM 734 CG PHE A 50 -10.491 -5.403 6.658 1.00 0.00 C ATOM 735 CD1 PHE A 50 -11.084 -5.541 7.928 1.00 0.00 C ATOM 736 CD2 PHE A 50 -9.941 -4.173 6.278 1.00 0.00 C ATOM 737 CE1 PHE A 50 -11.151 -4.448 8.805 1.00 0.00 C ATOM 738 CE2 PHE A 50 -9.988 -3.101 7.165 1.00 0.00 C ATOM 739 CZ PHE A 50 -10.594 -3.220 8.424 1.00 0.00 C ATOM 0 H PHE A 50 -8.455 -8.035 4.700 1.00 0.00 H new ATOM 0 HA PHE A 50 -9.415 -7.654 7.419 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -9.755 -6.274 4.863 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -11.330 -6.863 5.359 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -11.490 -6.495 8.229 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -9.485 -4.057 5.306 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -11.629 -4.552 9.768 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -9.548 -2.157 6.877 1.00 0.00 H new ATOM 0 HZ PHE A 50 -10.631 -2.373 9.093 1.00 0.00 H new ATOM 781 N GLN A 54 -8.917 -13.034 -0.773 1.00 0.00 N ATOM 782 CA GLN A 54 -7.502 -13.172 -0.505 1.00 0.00 C ATOM 783 C GLN A 54 -6.754 -13.616 -1.763 1.00 0.00 C ATOM 784 O GLN A 54 -7.375 -14.185 -2.666 1.00 0.00 O ATOM 785 CB GLN A 54 -7.280 -14.093 0.710 1.00 0.00 C ATOM 786 CG GLN A 54 -7.985 -15.451 0.646 1.00 0.00 C ATOM 787 CD GLN A 54 -7.594 -16.390 1.793 1.00 0.00 C ATOM 788 OE1 GLN A 54 -7.819 -17.592 1.720 1.00 0.00 O ATOM 789 NE2 GLN A 54 -7.003 -15.906 2.883 1.00 0.00 N ATOM 0 HA GLN A 54 -7.080 -12.203 -0.237 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -6.209 -14.264 0.823 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -7.616 -13.571 1.606 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -9.064 -15.294 0.665 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.749 -15.931 -0.304 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -6.810 -14.907 2.957 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -6.744 -16.534 3.644 1.00 0.00 H new ATOM 798 N PRO A 55 -5.438 -13.358 -1.838 1.00 0.00 N ATOM 799 CA PRO A 55 -4.644 -13.770 -2.976 1.00 0.00 C ATOM 800 C PRO A 55 -4.516 -15.296 -3.009 1.00 0.00 C ATOM 801 O PRO A 55 -4.716 -15.960 -1.978 1.00 0.00 O ATOM 802 CB PRO A 55 -3.302 -13.054 -2.822 1.00 0.00 C ATOM 803 CG PRO A 55 -3.190 -12.773 -1.332 1.00 0.00 C ATOM 804 CD PRO A 55 -4.629 -12.652 -0.852 1.00 0.00 C ATOM 0 HA PRO A 55 -5.099 -13.502 -3.930 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -2.478 -13.676 -3.172 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -3.275 -12.132 -3.403 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -2.667 -13.578 -0.816 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -2.631 -11.856 -1.143 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -4.749 -13.091 0.139 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -4.929 -11.607 -0.776 1.00 0.00 H new ATOM 812 N PRO A 56 -4.142 -15.865 -4.169 1.00 0.00 N ATOM 813 CA PRO A 56 -3.985 -17.306 -4.275 1.00 0.00 C ATOM 814 C PRO A 56 -2.850 -17.791 -3.345 1.00 0.00 C ATOM 815 O PRO A 56 -2.052 -16.979 -2.867 1.00 0.00 O ATOM 816 CB PRO A 56 -3.752 -17.604 -5.759 1.00 0.00 C ATOM 817 CG PRO A 56 -3.596 -16.251 -6.459 1.00 0.00 C ATOM 818 CD PRO A 56 -3.684 -15.182 -5.376 1.00 0.00 C ATOM 0 HA PRO A 56 -4.867 -17.853 -3.942 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -2.860 -18.216 -5.896 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -4.589 -18.162 -6.178 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -2.641 -16.194 -6.982 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -4.377 -16.110 -7.206 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -2.714 -14.711 -5.213 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -4.378 -14.392 -5.664 1.00 0.00 H new ATOM 826 N PRO A 57 -2.777 -19.089 -3.016 1.00 0.00 N ATOM 827 CA PRO A 57 -1.758 -19.633 -2.122 1.00 0.00 C ATOM 828 C PRO A 57 -0.407 -19.755 -2.837 1.00 0.00 C ATOM 829 O PRO A 57 -0.364 -20.039 -4.036 1.00 0.00 O ATOM 830 CB PRO A 57 -2.297 -21.005 -1.702 1.00 0.00 C ATOM 831 CG PRO A 57 -3.131 -21.430 -2.907 1.00 0.00 C ATOM 832 CD PRO A 57 -3.719 -20.117 -3.410 1.00 0.00 C ATOM 0 HA PRO A 57 -1.578 -18.989 -1.261 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -1.491 -21.711 -1.500 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.900 -20.942 -0.796 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.519 -21.914 -3.668 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -3.911 -22.138 -2.626 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -3.849 -20.135 -4.492 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -4.701 -19.936 -2.974 1.00 0.00 H new ATOM 840 N ASN A 58 0.692 -19.633 -2.077 1.00 0.00 N ATOM 841 CA ASN A 58 2.101 -19.668 -2.524 1.00 0.00 C ATOM 842 C ASN A 58 2.468 -18.563 -3.530 1.00 0.00 C ATOM 843 O ASN A 58 3.562 -18.582 -4.106 1.00 0.00 O ATOM 844 CB ASN A 58 2.516 -21.074 -3.019 1.00 0.00 C ATOM 845 CG ASN A 58 2.772 -22.028 -1.869 1.00 0.00 C ATOM 846 OD1 ASN A 58 3.824 -21.985 -1.240 1.00 0.00 O ATOM 847 ND2 ASN A 58 1.808 -22.872 -1.533 1.00 0.00 N ATOM 0 H ASN A 58 0.620 -19.498 -1.068 1.00 0.00 H new ATOM 0 HA ASN A 58 2.692 -19.447 -1.635 1.00 0.00 H new ATOM 0 HB2 ASN A 58 1.732 -21.479 -3.659 1.00 0.00 H new ATOM 0 HB3 ASN A 58 3.415 -20.993 -3.630 1.00 0.00 H new ATOM 0 HD21 ASN A 58 1.934 -23.500 -0.739 1.00 0.00 H new ATOM 0 HD22 ASN A 58 0.940 -22.894 -2.068 1.00 0.00 H new ATOM 854 N THR A 59 1.574 -17.598 -3.736 1.00 0.00 N ATOM 855 CA THR A 59 1.656 -16.548 -4.735 1.00 0.00 C ATOM 856 C THR A 59 2.402 -15.322 -4.202 1.00 0.00 C ATOM 857 O THR A 59 3.340 -14.845 -4.843 1.00 0.00 O ATOM 858 CB THR A 59 0.215 -16.162 -5.114 1.00 0.00 C ATOM 859 OG1 THR A 59 -0.555 -17.295 -5.442 1.00 0.00 O ATOM 860 CG2 THR A 59 0.159 -15.192 -6.276 1.00 0.00 C ATOM 0 H THR A 59 0.725 -17.529 -3.174 1.00 0.00 H new ATOM 0 HA THR A 59 2.210 -16.908 -5.602 1.00 0.00 H new ATOM 0 HB THR A 59 -0.198 -15.676 -4.230 1.00 0.00 H new ATOM 0 HG1 THR A 59 -0.746 -17.294 -6.403 1.00 0.00 H new ATOM 0 HG21 THR A 59 -0.881 -14.954 -6.501 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.692 -14.278 -6.013 1.00 0.00 H new ATOM 0 HG23 THR A 59 0.625 -15.645 -7.151 1.00 0.00 H new ATOM 868 N LEU A 60 1.926 -14.739 -3.094 1.00 0.00 N ATOM 869 CA LEU A 60 2.451 -13.494 -2.549 1.00 0.00 C ATOM 870 C LEU A 60 3.937 -13.709 -2.244 1.00 0.00 C ATOM 871 O LEU A 60 4.289 -14.690 -1.578 1.00 0.00 O ATOM 872 CB LEU A 60 1.749 -13.109 -1.235 1.00 0.00 C ATOM 873 CG LEU A 60 0.507 -12.222 -1.386 1.00 0.00 C ATOM 874 CD1 LEU A 60 -0.104 -11.990 -0.007 1.00 0.00 C ATOM 875 CD2 LEU A 60 0.834 -10.850 -1.991 1.00 0.00 C ATOM 0 H LEU A 60 1.157 -15.128 -2.549 1.00 0.00 H new ATOM 0 HA LEU A 60 2.287 -12.698 -3.275 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.460 -14.023 -0.716 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.467 -12.593 -0.597 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.180 -12.738 -2.057 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.988 -11.360 -0.102 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.386 -12.947 0.432 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.625 -11.497 0.636 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.080 -10.263 -2.076 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.542 -10.328 -1.348 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.273 -10.984 -2.980 1.00 0.00 H new ATOM 887 N SER A 61 4.794 -12.788 -2.686 1.00 0.00 N ATOM 888 CA SER A 61 6.241 -12.870 -2.495 1.00 0.00 C ATOM 889 C SER A 61 6.753 -11.631 -1.766 1.00 0.00 C ATOM 890 O SER A 61 6.132 -10.571 -1.843 1.00 0.00 O ATOM 891 CB SER A 61 6.961 -12.991 -3.843 1.00 0.00 C ATOM 892 OG SER A 61 6.231 -13.763 -4.780 1.00 0.00 O ATOM 0 H SER A 61 4.498 -11.954 -3.193 1.00 0.00 H new ATOM 0 HA SER A 61 6.449 -13.757 -1.897 1.00 0.00 H new ATOM 0 HB2 SER A 61 7.131 -11.995 -4.251 1.00 0.00 H new ATOM 0 HB3 SER A 61 7.941 -13.443 -3.689 1.00 0.00 H new ATOM 0 HG SER A 61 6.728 -13.810 -5.623 1.00 0.00 H new ATOM 898 N GLU A 62 7.928 -11.718 -1.141 1.00 0.00 N ATOM 899 CA GLU A 62 8.495 -10.638 -0.327 1.00 0.00 C ATOM 900 C GLU A 62 8.949 -9.441 -1.173 1.00 0.00 C ATOM 901 O GLU A 62 9.319 -8.400 -0.645 1.00 0.00 O ATOM 902 CB GLU A 62 9.637 -11.147 0.580 1.00 0.00 C ATOM 903 CG GLU A 62 9.247 -12.394 1.390 1.00 0.00 C ATOM 904 CD GLU A 62 10.156 -12.703 2.579 1.00 0.00 C ATOM 905 OE1 GLU A 62 10.254 -11.857 3.494 1.00 0.00 O ATOM 906 OE2 GLU A 62 10.712 -13.830 2.618 1.00 0.00 O ATOM 0 H GLU A 62 8.520 -12.548 -1.185 1.00 0.00 H new ATOM 0 HA GLU A 62 7.690 -10.283 0.317 1.00 0.00 H new ATOM 0 HB2 GLU A 62 10.507 -11.377 -0.035 1.00 0.00 H new ATOM 0 HB3 GLU A 62 9.932 -10.352 1.265 1.00 0.00 H new ATOM 0 HG2 GLU A 62 8.228 -12.268 1.755 1.00 0.00 H new ATOM 0 HG3 GLU A 62 9.242 -13.256 0.722 1.00 0.00 H new ATOM 913 N GLY A 63 8.886 -9.542 -2.496 1.00 0.00 N ATOM 914 CA GLY A 63 9.207 -8.479 -3.432 1.00 0.00 C ATOM 915 C GLY A 63 8.075 -8.208 -4.403 1.00 0.00 C ATOM 916 O GLY A 63 8.332 -7.549 -5.406 1.00 0.00 O ATOM 0 H GLY A 63 8.598 -10.403 -2.961 1.00 0.00 H new ATOM 0 HA2 GLY A 63 9.435 -7.568 -2.879 1.00 0.00 H new ATOM 0 HA3 GLY A 63 10.105 -8.747 -3.989 1.00 0.00 H new ATOM 920 N ALA A 64 6.858 -8.708 -4.135 1.00 0.00 N ATOM 921 CA ALA A 64 5.736 -8.514 -5.043 1.00 0.00 C ATOM 922 C ALA A 64 5.549 -7.011 -5.232 1.00 0.00 C ATOM 923 O ALA A 64 5.605 -6.262 -4.255 1.00 0.00 O ATOM 924 CB ALA A 64 4.466 -9.199 -4.519 1.00 0.00 C ATOM 0 H ALA A 64 6.635 -9.246 -3.298 1.00 0.00 H new ATOM 0 HA ALA A 64 5.942 -8.979 -6.007 1.00 0.00 H new ATOM 0 HB1 ALA A 64 3.648 -9.035 -5.220 1.00 0.00 H new ATOM 0 HB2 ALA A 64 4.646 -10.269 -4.416 1.00 0.00 H new ATOM 0 HB3 ALA A 64 4.201 -8.780 -3.548 1.00 0.00 H new ATOM 930 N GLU A 65 5.394 -6.558 -6.469 1.00 0.00 N ATOM 931 CA GLU A 65 5.314 -5.153 -6.821 1.00 0.00 C ATOM 932 C GLU A 65 3.855 -4.773 -6.597 1.00 0.00 C ATOM 933 O GLU A 65 2.966 -5.291 -7.279 1.00 0.00 O ATOM 934 CB GLU A 65 5.858 -4.925 -8.251 1.00 0.00 C ATOM 935 CG GLU A 65 7.328 -5.401 -8.337 1.00 0.00 C ATOM 936 CD GLU A 65 8.084 -5.226 -9.660 1.00 0.00 C ATOM 937 OE1 GLU A 65 7.496 -5.273 -10.764 1.00 0.00 O ATOM 938 OE2 GLU A 65 9.345 -5.194 -9.604 1.00 0.00 O ATOM 0 H GLU A 65 5.319 -7.178 -7.275 1.00 0.00 H new ATOM 0 HA GLU A 65 5.941 -4.502 -6.212 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.248 -5.468 -8.973 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.793 -3.868 -8.510 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.890 -4.878 -7.564 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.347 -6.461 -8.083 1.00 0.00 H new ATOM 945 N VAL A 66 3.586 -3.951 -5.583 1.00 0.00 N ATOM 946 CA VAL A 66 2.230 -3.613 -5.166 1.00 0.00 C ATOM 947 C VAL A 66 2.039 -2.103 -5.147 1.00 0.00 C ATOM 948 O VAL A 66 2.876 -1.365 -4.618 1.00 0.00 O ATOM 949 CB VAL A 66 1.814 -4.292 -3.843 1.00 0.00 C ATOM 950 CG1 VAL A 66 2.191 -5.774 -3.807 1.00 0.00 C ATOM 951 CG2 VAL A 66 2.387 -3.661 -2.576 1.00 0.00 C ATOM 0 H VAL A 66 4.310 -3.499 -5.025 1.00 0.00 H new ATOM 0 HA VAL A 66 1.547 -4.022 -5.911 1.00 0.00 H new ATOM 0 HB VAL A 66 0.733 -4.151 -3.839 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.878 -6.206 -2.857 1.00 0.00 H new ATOM 0 HG12 VAL A 66 1.694 -6.296 -4.625 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.271 -5.877 -3.914 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.035 -4.212 -1.704 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.476 -3.697 -2.612 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.060 -2.623 -2.506 1.00 0.00 H new ATOM 961 N SER A 67 0.933 -1.637 -5.707 1.00 0.00 N ATOM 962 CA SER A 67 0.566 -0.231 -5.738 1.00 0.00 C ATOM 963 C SER A 67 -0.368 0.052 -4.570 1.00 0.00 C ATOM 964 O SER A 67 -1.295 -0.719 -4.308 1.00 0.00 O ATOM 965 CB SER A 67 -0.068 0.146 -7.089 1.00 0.00 C ATOM 966 OG SER A 67 -0.514 -0.992 -7.808 1.00 0.00 O ATOM 0 H SER A 67 0.250 -2.241 -6.163 1.00 0.00 H new ATOM 0 HA SER A 67 1.457 0.388 -5.635 1.00 0.00 H new ATOM 0 HB2 SER A 67 -0.909 0.818 -6.919 1.00 0.00 H new ATOM 0 HB3 SER A 67 0.660 0.691 -7.690 1.00 0.00 H new ATOM 0 HG SER A 67 -0.911 -0.707 -8.658 1.00 0.00 H new ATOM 972 N VAL A 68 -0.161 1.173 -3.886 1.00 0.00 N ATOM 973 CA VAL A 68 -0.967 1.603 -2.754 1.00 0.00 C ATOM 974 C VAL A 68 -1.697 2.875 -3.121 1.00 0.00 C ATOM 975 O VAL A 68 -1.069 3.862 -3.497 1.00 0.00 O ATOM 976 CB VAL A 68 -0.134 1.803 -1.474 1.00 0.00 C ATOM 977 CG1 VAL A 68 -0.062 0.497 -0.682 1.00 0.00 C ATOM 978 CG2 VAL A 68 1.271 2.382 -1.701 1.00 0.00 C ATOM 0 H VAL A 68 0.592 1.823 -4.112 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.683 0.812 -2.532 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.661 2.563 -0.897 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.529 0.651 0.221 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -1.069 0.182 -0.407 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.405 -0.275 -1.294 1.00 0.00 H new ATOM 0 HG21 VAL A 68 1.781 2.487 -0.743 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.841 1.712 -2.344 1.00 0.00 H new ATOM 0 HG23 VAL A 68 1.189 3.359 -2.177 1.00 0.00 H new ATOM 988 N SER A 69 -3.013 2.870 -2.958 1.00 0.00 N ATOM 989 CA SER A 69 -3.812 4.072 -2.927 1.00 0.00 C ATOM 990 C SER A 69 -4.362 4.228 -1.516 1.00 0.00 C ATOM 991 O SER A 69 -4.571 3.226 -0.822 1.00 0.00 O ATOM 992 CB SER A 69 -4.893 3.968 -4.006 1.00 0.00 C ATOM 993 OG SER A 69 -5.956 3.113 -3.661 1.00 0.00 O ATOM 0 H SER A 69 -3.557 2.015 -2.843 1.00 0.00 H new ATOM 0 HA SER A 69 -3.235 4.969 -3.152 1.00 0.00 H new ATOM 0 HB2 SER A 69 -5.290 4.963 -4.208 1.00 0.00 H new ATOM 0 HB3 SER A 69 -4.438 3.613 -4.931 1.00 0.00 H new ATOM 0 HG SER A 69 -6.610 3.093 -4.391 1.00 0.00 H new ATOM 999 N VAL A 70 -4.620 5.463 -1.094 1.00 0.00 N ATOM 1000 CA VAL A 70 -5.611 5.734 -0.076 1.00 0.00 C ATOM 1001 C VAL A 70 -6.160 7.134 -0.334 1.00 0.00 C ATOM 1002 O VAL A 70 -5.441 8.043 -0.754 1.00 0.00 O ATOM 1003 CB VAL A 70 -5.051 5.515 1.346 1.00 0.00 C ATOM 1004 CG1 VAL A 70 -3.838 6.393 1.671 1.00 0.00 C ATOM 1005 CG2 VAL A 70 -6.166 5.724 2.372 1.00 0.00 C ATOM 0 H VAL A 70 -4.147 6.294 -1.450 1.00 0.00 H new ATOM 0 HA VAL A 70 -6.438 5.027 -0.134 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.689 4.488 1.392 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.499 6.185 2.686 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.033 6.176 0.968 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.117 7.444 1.590 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -5.770 5.569 3.376 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.553 6.739 2.287 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.970 5.012 2.185 1.00 0.00 H new ATOM 1015 N TRP A 71 -7.460 7.276 -0.114 1.00 0.00 N ATOM 1016 CA TRP A 71 -8.163 8.538 -0.086 1.00 0.00 C ATOM 1017 C TRP A 71 -7.987 9.110 1.315 1.00 0.00 C ATOM 1018 O TRP A 71 -8.315 8.433 2.294 1.00 0.00 O ATOM 1019 CB TRP A 71 -9.626 8.262 -0.435 1.00 0.00 C ATOM 1020 CG TRP A 71 -9.817 7.828 -1.858 1.00 0.00 C ATOM 1021 CD1 TRP A 71 -9.720 6.576 -2.363 1.00 0.00 C ATOM 1022 CD2 TRP A 71 -10.056 8.692 -2.997 1.00 0.00 C ATOM 1023 NE1 TRP A 71 -9.914 6.612 -3.732 1.00 0.00 N ATOM 1024 CE2 TRP A 71 -10.128 7.899 -4.178 1.00 0.00 C ATOM 1025 CE3 TRP A 71 -10.154 10.086 -3.145 1.00 0.00 C ATOM 1026 CZ2 TRP A 71 -10.320 8.475 -5.444 1.00 0.00 C ATOM 1027 CZ3 TRP A 71 -10.431 10.664 -4.389 1.00 0.00 C ATOM 1028 CH2 TRP A 71 -10.533 9.863 -5.535 1.00 0.00 C ATOM 0 H TRP A 71 -8.073 6.478 0.056 1.00 0.00 H new ATOM 0 HA TRP A 71 -7.784 9.264 -0.805 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -10.013 7.490 0.230 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -10.213 9.162 -0.253 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -9.522 5.685 -1.785 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -9.900 5.790 -4.336 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -10.013 10.722 -2.284 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -10.304 7.863 -6.334 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -10.567 11.733 -4.467 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -10.775 10.311 -6.487 1.00 0.00 H new ATOM 1039 N THR A 72 -7.411 10.306 1.402 1.00 0.00 N ATOM 1040 CA THR A 72 -7.190 11.036 2.643 1.00 0.00 C ATOM 1041 C THR A 72 -7.373 12.524 2.318 1.00 0.00 C ATOM 1042 O THR A 72 -7.060 12.970 1.207 1.00 0.00 O ATOM 1043 CB THR A 72 -5.792 10.690 3.233 1.00 0.00 C ATOM 1044 OG1 THR A 72 -5.270 11.727 4.046 1.00 0.00 O ATOM 1045 CG2 THR A 72 -4.725 10.435 2.157 1.00 0.00 C ATOM 0 H THR A 72 -7.074 10.809 0.581 1.00 0.00 H new ATOM 0 HA THR A 72 -7.902 10.756 3.420 1.00 0.00 H new ATOM 0 HB THR A 72 -5.981 9.786 3.813 1.00 0.00 H new ATOM 0 HG1 THR A 72 -4.393 11.461 4.393 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.775 10.199 2.636 1.00 0.00 H new ATOM 0 HG22 THR A 72 -5.033 9.598 1.530 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.610 11.327 1.541 1.00 0.00 H new ATOM 1053 N GLY A 73 -7.859 13.290 3.295 1.00 0.00 N ATOM 1054 CA GLY A 73 -7.828 14.739 3.305 1.00 0.00 C ATOM 1055 C GLY A 73 -8.766 15.364 2.283 1.00 0.00 C ATOM 1056 O GLY A 73 -9.905 15.704 2.617 1.00 0.00 O ATOM 0 H GLY A 73 -8.299 12.897 4.127 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -8.095 15.095 4.300 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -6.810 15.076 3.109 1.00 0.00 H new ATOM 1060 N GLY A 74 -8.282 15.593 1.066 1.00 0.00 N ATOM 1061 CA GLY A 74 -9.043 16.219 -0.007 1.00 0.00 C ATOM 1062 C GLY A 74 -8.733 15.630 -1.378 1.00 0.00 C ATOM 1063 O GLY A 74 -9.249 16.127 -2.386 1.00 0.00 O ATOM 0 H GLY A 74 -7.331 15.343 0.794 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -10.108 16.108 0.198 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -8.830 17.288 -0.020 1.00 0.00 H new ATOM 1067 N ALA A 75 -7.930 14.565 -1.464 1.00 0.00 N ATOM 1068 CA ALA A 75 -7.427 14.050 -2.725 1.00 0.00 C ATOM 1069 C ALA A 75 -7.240 12.535 -2.686 1.00 0.00 C ATOM 1070 O ALA A 75 -7.447 11.896 -1.649 1.00 0.00 O ATOM 1071 CB ALA A 75 -6.111 14.763 -3.013 1.00 0.00 C ATOM 0 H ALA A 75 -7.613 14.038 -0.650 1.00 0.00 H new ATOM 0 HA ALA A 75 -8.148 14.241 -3.520 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -5.700 14.402 -3.956 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.286 15.837 -3.081 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -5.404 14.561 -2.208 1.00 0.00 H new ATOM 1077 N LEU A 76 -6.833 11.964 -3.823 1.00 0.00 N ATOM 1078 CA LEU A 76 -6.342 10.603 -3.894 1.00 0.00 C ATOM 1079 C LEU A 76 -4.831 10.623 -4.030 1.00 0.00 C ATOM 1080 O LEU A 76 -4.281 11.119 -5.021 1.00 0.00 O ATOM 1081 CB LEU A 76 -6.970 9.886 -5.075 1.00 0.00 C ATOM 1082 CG LEU A 76 -6.775 8.362 -5.055 1.00 0.00 C ATOM 1083 CD1 LEU A 76 -5.781 7.937 -6.114 1.00 0.00 C ATOM 1084 CD2 LEU A 76 -6.517 7.644 -3.731 1.00 0.00 C ATOM 0 H LEU A 76 -6.839 12.445 -4.722 1.00 0.00 H new ATOM 0 HA LEU A 76 -6.612 10.069 -2.983 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -8.038 10.105 -5.095 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.546 10.284 -5.997 1.00 0.00 H new ATOM 0 HG LEU A 76 -7.784 8.014 -5.277 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.657 6.855 -6.083 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.148 8.232 -7.097 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.821 8.418 -5.926 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.405 6.575 -3.913 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.605 8.033 -3.278 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -7.357 7.811 -3.057 1.00 0.00 H new ATOM 1096 N CYS A 77 -4.176 10.055 -3.027 1.00 0.00 N ATOM 1097 CA CYS A 77 -2.755 9.832 -2.965 1.00 0.00 C ATOM 1098 C CYS A 77 -2.550 8.372 -3.343 1.00 0.00 C ATOM 1099 O CYS A 77 -3.102 7.473 -2.704 1.00 0.00 O ATOM 1100 CB CYS A 77 -2.285 10.142 -1.552 1.00 0.00 C ATOM 1101 SG CYS A 77 -2.361 11.932 -1.271 1.00 0.00 S ATOM 0 H CYS A 77 -4.658 9.722 -2.192 1.00 0.00 H new ATOM 0 HA CYS A 77 -2.180 10.467 -3.639 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -2.911 9.622 -0.827 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -1.266 9.783 -1.409 1.00 0.00 H new ATOM 0 HG CYS A 77 -1.961 12.199 -0.063 1.00 0.00 H new ATOM 1107 N ARG A 78 -1.830 8.127 -4.436 1.00 0.00 N ATOM 1108 CA ARG A 78 -1.539 6.785 -4.910 1.00 0.00 C ATOM 1109 C ARG A 78 -0.063 6.745 -5.242 1.00 0.00 C ATOM 1110 O ARG A 78 0.453 7.695 -5.828 1.00 0.00 O ATOM 1111 CB ARG A 78 -2.474 6.415 -6.076 1.00 0.00 C ATOM 1112 CG ARG A 78 -2.230 5.026 -6.698 1.00 0.00 C ATOM 1113 CD ARG A 78 -1.318 5.008 -7.942 1.00 0.00 C ATOM 1114 NE ARG A 78 -1.919 5.637 -9.147 1.00 0.00 N ATOM 1115 CZ ARG A 78 -2.967 5.216 -9.878 1.00 0.00 C ATOM 1116 NH1 ARG A 78 -3.617 4.096 -9.575 1.00 0.00 N ATOM 1117 NH2 ARG A 78 -3.403 5.938 -10.908 1.00 0.00 N ATOM 0 H ARG A 78 -1.431 8.863 -5.019 1.00 0.00 H new ATOM 0 HA ARG A 78 -1.734 6.023 -4.156 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -3.504 6.461 -5.723 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -2.370 7.168 -6.857 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -1.792 4.379 -5.938 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -3.193 4.594 -6.969 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -0.387 5.522 -7.704 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -1.061 3.975 -8.175 1.00 0.00 H new ATOM 0 HE ARG A 78 -1.479 6.502 -9.461 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -3.324 3.537 -8.774 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -4.409 3.796 -10.144 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -2.942 6.816 -11.147 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -4.198 5.613 -11.458 1.00 0.00 H new ATOM 1131 N CYS A 79 0.601 5.676 -4.821 1.00 0.00 N ATOM 1132 CA CYS A 79 1.998 5.434 -5.074 1.00 0.00 C ATOM 1133 C CYS A 79 2.178 3.975 -5.504 1.00 0.00 C ATOM 1134 O CYS A 79 1.238 3.174 -5.500 1.00 0.00 O ATOM 1135 CB CYS A 79 2.769 5.783 -3.794 1.00 0.00 C ATOM 1136 SG CYS A 79 4.553 5.933 -4.092 1.00 0.00 S ATOM 0 H CYS A 79 0.159 4.935 -4.277 1.00 0.00 H new ATOM 0 HA CYS A 79 2.387 6.052 -5.883 1.00 0.00 H new ATOM 0 HB2 CYS A 79 2.390 6.720 -3.387 1.00 0.00 H new ATOM 0 HB3 CYS A 79 2.591 5.014 -3.043 1.00 0.00 H new ATOM 0 HG CYS A 79 4.814 7.109 -4.581 1.00 0.00 H new ATOM 1142 N ASP A 80 3.412 3.627 -5.843 1.00 0.00 N ATOM 1143 CA ASP A 80 3.834 2.304 -6.271 1.00 0.00 C ATOM 1144 C ASP A 80 4.909 1.856 -5.280 1.00 0.00 C ATOM 1145 O ASP A 80 5.682 2.690 -4.790 1.00 0.00 O ATOM 1146 CB ASP A 80 4.412 2.307 -7.695 1.00 0.00 C ATOM 1147 CG ASP A 80 3.807 3.306 -8.691 1.00 0.00 C ATOM 1148 OD1 ASP A 80 2.600 3.296 -8.989 1.00 0.00 O ATOM 1149 OD2 ASP A 80 4.578 4.220 -9.098 1.00 0.00 O ATOM 0 H ASP A 80 4.183 4.295 -5.825 1.00 0.00 H new ATOM 0 HA ASP A 80 2.977 1.631 -6.288 1.00 0.00 H new ATOM 0 HB2 ASP A 80 5.482 2.504 -7.626 1.00 0.00 H new ATOM 0 HB3 ASP A 80 4.298 1.305 -8.109 1.00 0.00 H new ATOM 1154 N GLY A 81 4.992 0.557 -5.005 1.00 0.00 N ATOM 1155 CA GLY A 81 5.877 -0.014 -3.999 1.00 0.00 C ATOM 1156 C GLY A 81 6.111 -1.500 -4.251 1.00 0.00 C ATOM 1157 O GLY A 81 5.757 -2.026 -5.308 1.00 0.00 O ATOM 0 H GLY A 81 4.431 -0.144 -5.489 1.00 0.00 H new ATOM 0 HA2 GLY A 81 6.831 0.514 -4.008 1.00 0.00 H new ATOM 0 HA3 GLY A 81 5.444 0.126 -3.008 1.00 0.00 H new ATOM 1161 N ARG A 82 6.745 -2.175 -3.293 1.00 0.00 N ATOM 1162 CA ARG A 82 6.950 -3.634 -3.256 1.00 0.00 C ATOM 1163 C ARG A 82 6.615 -4.151 -1.858 1.00 0.00 C ATOM 1164 O ARG A 82 6.430 -3.325 -0.972 1.00 0.00 O ATOM 1165 CB ARG A 82 8.375 -4.039 -3.640 1.00 0.00 C ATOM 1166 CG ARG A 82 8.673 -3.535 -5.051 1.00 0.00 C ATOM 1167 CD ARG A 82 9.799 -4.312 -5.701 1.00 0.00 C ATOM 1168 NE ARG A 82 11.128 -3.948 -5.179 1.00 0.00 N ATOM 1169 CZ ARG A 82 11.917 -2.992 -5.684 1.00 0.00 C ATOM 1170 NH1 ARG A 82 11.502 -2.192 -6.660 1.00 0.00 N ATOM 1171 NH2 ARG A 82 13.140 -2.831 -5.197 1.00 0.00 N ATOM 0 H ARG A 82 7.150 -1.705 -2.483 1.00 0.00 H new ATOM 0 HA ARG A 82 6.287 -4.082 -3.996 1.00 0.00 H new ATOM 0 HB2 ARG A 82 9.089 -3.619 -2.932 1.00 0.00 H new ATOM 0 HB3 ARG A 82 8.483 -5.123 -3.597 1.00 0.00 H new ATOM 0 HG2 ARG A 82 7.775 -3.617 -5.663 1.00 0.00 H new ATOM 0 HG3 ARG A 82 8.937 -2.478 -5.011 1.00 0.00 H new ATOM 0 HD2 ARG A 82 9.634 -5.378 -5.546 1.00 0.00 H new ATOM 0 HD3 ARG A 82 9.778 -4.139 -6.777 1.00 0.00 H new ATOM 0 HE ARG A 82 11.473 -4.465 -4.370 1.00 0.00 H new ATOM 0 HH11 ARG A 82 10.562 -2.299 -7.042 1.00 0.00 H new ATOM 0 HH12 ARG A 82 12.123 -1.471 -7.027 1.00 0.00 H new ATOM 0 HH21 ARG A 82 13.472 -3.433 -4.444 1.00 0.00 H new ATOM 0 HH22 ARG A 82 13.748 -2.105 -5.576 1.00 0.00 H new ATOM 1185 N VAL A 83 6.584 -5.464 -1.624 1.00 0.00 N ATOM 1186 CA VAL A 83 6.300 -6.045 -0.305 1.00 0.00 C ATOM 1187 C VAL A 83 7.427 -5.805 0.717 1.00 0.00 C ATOM 1188 O VAL A 83 7.153 -5.564 1.882 1.00 0.00 O ATOM 1189 CB VAL A 83 5.907 -7.524 -0.486 1.00 0.00 C ATOM 1190 CG1 VAL A 83 5.882 -8.327 0.813 1.00 0.00 C ATOM 1191 CG2 VAL A 83 4.507 -7.618 -1.112 1.00 0.00 C ATOM 0 H VAL A 83 6.756 -6.162 -2.348 1.00 0.00 H new ATOM 0 HA VAL A 83 5.451 -5.527 0.141 1.00 0.00 H new ATOM 0 HB VAL A 83 6.677 -7.951 -1.128 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.596 -9.357 0.599 1.00 0.00 H new ATOM 0 HG12 VAL A 83 6.872 -8.312 1.269 1.00 0.00 H new ATOM 0 HG13 VAL A 83 5.160 -7.886 1.500 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.234 -8.666 -1.238 1.00 0.00 H new ATOM 0 HG22 VAL A 83 3.783 -7.130 -0.459 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.509 -7.125 -2.084 1.00 0.00 H new ATOM 1201 N GLU A 84 8.692 -5.810 0.311 1.00 0.00 N ATOM 1202 CA GLU A 84 9.895 -5.730 1.163 1.00 0.00 C ATOM 1203 C GLU A 84 10.127 -7.007 1.979 1.00 0.00 C ATOM 1204 O GLU A 84 11.168 -7.642 1.812 1.00 0.00 O ATOM 1205 CB GLU A 84 9.872 -4.475 2.061 1.00 0.00 C ATOM 1206 CG GLU A 84 11.235 -4.004 2.605 1.00 0.00 C ATOM 1207 CD GLU A 84 11.700 -4.700 3.887 1.00 0.00 C ATOM 1208 OE1 GLU A 84 12.232 -5.821 3.806 1.00 0.00 O ATOM 1209 OE2 GLU A 84 11.712 -4.063 4.970 1.00 0.00 O ATOM 0 H GLU A 84 8.930 -5.873 -0.679 1.00 0.00 H new ATOM 0 HA GLU A 84 10.747 -5.637 0.489 1.00 0.00 H new ATOM 0 HB2 GLU A 84 9.427 -3.656 1.495 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.214 -4.671 2.908 1.00 0.00 H new ATOM 0 HG2 GLU A 84 11.989 -4.157 1.833 1.00 0.00 H new ATOM 0 HG3 GLU A 84 11.183 -2.931 2.791 1.00 0.00 H new ATOM 1216 N THR A 85 9.189 -7.353 2.866 1.00 0.00 N ATOM 1217 CA THR A 85 9.179 -8.532 3.724 1.00 0.00 C ATOM 1218 C THR A 85 7.721 -8.987 3.817 1.00 0.00 C ATOM 1219 O THR A 85 6.851 -8.211 4.226 1.00 0.00 O ATOM 1220 CB THR A 85 9.754 -8.193 5.117 1.00 0.00 C ATOM 1221 OG1 THR A 85 11.134 -7.875 5.090 1.00 0.00 O ATOM 1222 CG2 THR A 85 9.632 -9.371 6.086 1.00 0.00 C ATOM 0 H THR A 85 8.362 -6.774 3.010 1.00 0.00 H new ATOM 0 HA THR A 85 9.803 -9.327 3.317 1.00 0.00 H new ATOM 0 HB THR A 85 9.167 -7.333 5.440 1.00 0.00 H new ATOM 0 HG1 THR A 85 11.278 -7.091 4.519 1.00 0.00 H new ATOM 0 HG21 THR A 85 10.048 -9.091 7.054 1.00 0.00 H new ATOM 0 HG22 THR A 85 8.582 -9.636 6.206 1.00 0.00 H new ATOM 0 HG23 THR A 85 10.179 -10.226 5.690 1.00 0.00 H new ATOM 1230 N LEU A 86 7.433 -10.228 3.423 1.00 0.00 N ATOM 1231 CA LEU A 86 6.140 -10.843 3.710 1.00 0.00 C ATOM 1232 C LEU A 86 6.242 -11.502 5.087 1.00 0.00 C ATOM 1233 O LEU A 86 7.342 -11.816 5.537 1.00 0.00 O ATOM 1234 CB LEU A 86 5.786 -11.881 2.628 1.00 0.00 C ATOM 1235 CG LEU A 86 4.280 -12.185 2.506 1.00 0.00 C ATOM 1236 CD1 LEU A 86 3.626 -11.171 1.562 1.00 0.00 C ATOM 1237 CD2 LEU A 86 4.023 -13.586 1.942 1.00 0.00 C ATOM 0 H LEU A 86 8.078 -10.825 2.905 1.00 0.00 H new ATOM 0 HA LEU A 86 5.348 -10.094 3.709 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.151 -11.523 1.665 1.00 0.00 H new ATOM 0 HB3 LEU A 86 6.315 -12.809 2.845 1.00 0.00 H new ATOM 0 HG LEU A 86 3.856 -12.124 3.508 1.00 0.00 H new ATOM 0 HD11 LEU A 86 2.561 -11.387 1.477 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.761 -10.165 1.959 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.090 -11.238 0.578 1.00 0.00 H new ATOM 0 HD21 LEU A 86 2.949 -13.759 1.873 1.00 0.00 H new ATOM 0 HD22 LEU A 86 4.468 -13.666 0.950 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.469 -14.331 2.601 1.00 0.00 H new ATOM 1249 N ARG A 87 5.112 -11.780 5.737 1.00 0.00 N ATOM 1250 CA ARG A 87 5.080 -12.613 6.934 1.00 0.00 C ATOM 1251 C ARG A 87 4.141 -13.782 6.709 1.00 0.00 C ATOM 1252 O ARG A 87 4.570 -14.920 6.885 1.00 0.00 O ATOM 1253 CB ARG A 87 4.756 -11.746 8.155 1.00 0.00 C ATOM 1254 CG ARG A 87 4.422 -12.525 9.430 1.00 0.00 C ATOM 1255 CD ARG A 87 4.408 -11.582 10.640 1.00 0.00 C ATOM 1256 NE ARG A 87 5.751 -11.428 11.231 1.00 0.00 N ATOM 1257 CZ ARG A 87 5.994 -11.314 12.542 1.00 0.00 C ATOM 1258 NH1 ARG A 87 5.013 -11.038 13.393 1.00 0.00 N ATOM 1259 NH2 ARG A 87 7.219 -11.510 13.005 1.00 0.00 N ATOM 0 H ARG A 87 4.197 -11.434 5.448 1.00 0.00 H new ATOM 0 HA ARG A 87 6.055 -13.054 7.141 1.00 0.00 H new ATOM 0 HB2 ARG A 87 5.607 -11.096 8.357 1.00 0.00 H new ATOM 0 HB3 ARG A 87 3.913 -11.100 7.910 1.00 0.00 H new ATOM 0 HG2 ARG A 87 3.451 -13.008 9.325 1.00 0.00 H new ATOM 0 HG3 ARG A 87 5.156 -13.316 9.585 1.00 0.00 H new ATOM 0 HD2 ARG A 87 4.031 -10.606 10.335 1.00 0.00 H new ATOM 0 HD3 ARG A 87 3.721 -11.968 11.394 1.00 0.00 H new ATOM 0 HE ARG A 87 6.549 -11.407 10.597 1.00 0.00 H new ATOM 0 HH11 ARG A 87 4.061 -10.910 13.050 1.00 0.00 H new ATOM 0 HH12 ARG A 87 5.211 -10.954 14.390 1.00 0.00 H new ATOM 0 HH21 ARG A 87 7.975 -11.747 12.363 1.00 0.00 H new ATOM 0 HH22 ARG A 87 7.407 -11.424 14.004 1.00 0.00 H new ATOM 1273 N ASP A 88 2.902 -13.526 6.299 1.00 0.00 N ATOM 1274 CA ASP A 88 1.871 -14.518 6.011 1.00 0.00 C ATOM 1275 C ASP A 88 1.181 -14.105 4.714 1.00 0.00 C ATOM 1276 O ASP A 88 1.277 -12.950 4.296 1.00 0.00 O ATOM 1277 CB ASP A 88 0.803 -14.591 7.123 1.00 0.00 C ATOM 1278 CG ASP A 88 1.322 -14.877 8.533 1.00 0.00 C ATOM 1279 OD1 ASP A 88 2.278 -15.649 8.687 1.00 0.00 O ATOM 1280 OD2 ASP A 88 0.743 -14.304 9.489 1.00 0.00 O ATOM 0 H ASP A 88 2.573 -12.572 6.151 1.00 0.00 H new ATOM 0 HA ASP A 88 2.345 -15.497 5.937 1.00 0.00 H new ATOM 0 HB2 ASP A 88 0.261 -13.645 7.142 1.00 0.00 H new ATOM 0 HB3 ASP A 88 0.083 -15.366 6.858 1.00 0.00 H new ATOM 1285 N ASP A 89 0.351 -14.986 4.156 1.00 0.00 N ATOM 1286 CA ASP A 89 -0.558 -14.715 3.036 1.00 0.00 C ATOM 1287 C ASP A 89 -1.592 -13.623 3.371 1.00 0.00 C ATOM 1288 O ASP A 89 -2.378 -13.238 2.507 1.00 0.00 O ATOM 1289 CB ASP A 89 -1.299 -16.003 2.615 1.00 0.00 C ATOM 1290 CG ASP A 89 -0.531 -16.882 1.629 1.00 0.00 C ATOM 1291 OD1 ASP A 89 0.601 -17.319 1.935 1.00 0.00 O ATOM 1292 OD2 ASP A 89 -1.088 -17.203 0.554 1.00 0.00 O ATOM 0 H ASP A 89 0.289 -15.950 4.484 1.00 0.00 H new ATOM 0 HA ASP A 89 0.060 -14.355 2.213 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -1.520 -16.588 3.508 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -2.255 -15.728 2.169 1.00 0.00 H new ATOM 1297 N ARG A 90 -1.617 -13.133 4.617 1.00 0.00 N ATOM 1298 CA ARG A 90 -2.560 -12.145 5.132 1.00 0.00 C ATOM 1299 C ARG A 90 -1.887 -10.960 5.823 1.00 0.00 C ATOM 1300 O ARG A 90 -2.559 -9.966 6.075 1.00 0.00 O ATOM 1301 CB ARG A 90 -3.580 -12.825 6.072 1.00 0.00 C ATOM 1302 CG ARG A 90 -2.988 -13.814 7.091 1.00 0.00 C ATOM 1303 CD ARG A 90 -3.985 -14.087 8.231 1.00 0.00 C ATOM 1304 NE ARG A 90 -3.949 -15.487 8.683 1.00 0.00 N ATOM 1305 CZ ARG A 90 -2.965 -16.110 9.345 1.00 0.00 C ATOM 1306 NH1 ARG A 90 -1.900 -15.458 9.802 1.00 0.00 N ATOM 1307 NH2 ARG A 90 -3.057 -17.418 9.539 1.00 0.00 N ATOM 0 H ARG A 90 -0.945 -13.433 5.324 1.00 0.00 H new ATOM 0 HA ARG A 90 -3.080 -11.729 4.269 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -4.119 -12.049 6.616 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -4.312 -13.354 5.462 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -2.735 -14.749 6.592 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -2.062 -13.410 7.501 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -3.760 -13.431 9.072 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -4.993 -13.842 7.895 1.00 0.00 H new ATOM 0 HE ARG A 90 -4.771 -16.050 8.466 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -1.814 -14.453 9.652 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -1.169 -15.963 10.302 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -3.866 -17.930 9.187 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -2.319 -17.912 10.041 1.00 0.00 H new ATOM 1321 N GLN A 91 -0.605 -11.032 6.174 1.00 0.00 N ATOM 1322 CA GLN A 91 0.073 -10.044 7.000 1.00 0.00 C ATOM 1323 C GLN A 91 1.448 -9.830 6.400 1.00 0.00 C ATOM 1324 O GLN A 91 2.188 -10.792 6.202 1.00 0.00 O ATOM 1325 CB GLN A 91 0.237 -10.573 8.426 1.00 0.00 C ATOM 1326 CG GLN A 91 -1.089 -10.914 9.123 1.00 0.00 C ATOM 1327 CD GLN A 91 -0.934 -11.818 10.342 1.00 0.00 C ATOM 1328 OE1 GLN A 91 -1.756 -12.714 10.540 1.00 0.00 O ATOM 1329 NE2 GLN A 91 0.090 -11.630 11.159 1.00 0.00 N ATOM 0 H GLN A 91 0.003 -11.798 5.884 1.00 0.00 H new ATOM 0 HA GLN A 91 -0.502 -9.118 7.033 1.00 0.00 H new ATOM 0 HB2 GLN A 91 0.863 -11.465 8.402 1.00 0.00 H new ATOM 0 HB3 GLN A 91 0.767 -9.828 9.020 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -1.575 -9.988 9.430 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -1.751 -11.399 8.405 1.00 0.00 H new ATOM 0 HE21 GLN A 91 0.758 -10.882 10.975 1.00 0.00 H new ATOM 0 HE22 GLN A 91 0.211 -12.233 11.972 1.00 0.00 H new ATOM 1338 N PHE A 92 1.783 -8.588 6.089 1.00 0.00 N ATOM 1339 CA PHE A 92 3.038 -8.280 5.404 1.00 0.00 C ATOM 1340 C PHE A 92 3.386 -6.797 5.452 1.00 0.00 C ATOM 1341 O PHE A 92 2.540 -5.962 5.797 1.00 0.00 O ATOM 1342 CB PHE A 92 2.965 -8.788 3.955 1.00 0.00 C ATOM 1343 CG PHE A 92 1.678 -8.498 3.201 1.00 0.00 C ATOM 1344 CD1 PHE A 92 1.499 -7.263 2.556 1.00 0.00 C ATOM 1345 CD2 PHE A 92 0.662 -9.473 3.130 1.00 0.00 C ATOM 1346 CE1 PHE A 92 0.323 -6.995 1.839 1.00 0.00 C ATOM 1347 CE2 PHE A 92 -0.535 -9.196 2.446 1.00 0.00 C ATOM 1348 CZ PHE A 92 -0.700 -7.961 1.792 1.00 0.00 C ATOM 0 H PHE A 92 1.206 -7.773 6.298 1.00 0.00 H new ATOM 0 HA PHE A 92 3.843 -8.793 5.930 1.00 0.00 H new ATOM 0 HB2 PHE A 92 3.793 -8.351 3.398 1.00 0.00 H new ATOM 0 HB3 PHE A 92 3.120 -9.867 3.963 1.00 0.00 H new ATOM 0 HD1 PHE A 92 2.274 -6.513 2.613 1.00 0.00 H new ATOM 0 HD2 PHE A 92 0.803 -10.434 3.602 1.00 0.00 H new ATOM 0 HE1 PHE A 92 0.203 -6.052 1.326 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -1.327 -9.930 2.423 1.00 0.00 H new ATOM 0 HZ PHE A 92 -1.613 -7.754 1.253 1.00 0.00 H new ATOM 1358 N ALA A 93 4.640 -6.490 5.114 1.00 0.00 N ATOM 1359 CA ALA A 93 5.128 -5.141 4.913 1.00 0.00 C ATOM 1360 C ALA A 93 4.809 -4.660 3.495 1.00 0.00 C ATOM 1361 O ALA A 93 4.382 -5.429 2.636 1.00 0.00 O ATOM 1362 CB ALA A 93 6.643 -5.086 5.154 1.00 0.00 C ATOM 0 H ALA A 93 5.358 -7.200 4.971 1.00 0.00 H new ATOM 0 HA ALA A 93 4.629 -4.484 5.625 1.00 0.00 H new ATOM 0 HB1 ALA A 93 6.999 -4.067 5.000 1.00 0.00 H new ATOM 0 HB2 ALA A 93 6.860 -5.396 6.176 1.00 0.00 H new ATOM 0 HB3 ALA A 93 7.147 -5.756 4.457 1.00 0.00 H new ATOM 1368 N ILE A 94 5.091 -3.387 3.235 1.00 0.00 N ATOM 1369 CA ILE A 94 5.373 -2.830 1.928 1.00 0.00 C ATOM 1370 C ILE A 94 6.490 -1.805 2.084 1.00 0.00 C ATOM 1371 O ILE A 94 6.536 -1.094 3.090 1.00 0.00 O ATOM 1372 CB ILE A 94 4.128 -2.186 1.290 1.00 0.00 C ATOM 1373 CG1 ILE A 94 3.355 -1.281 2.270 1.00 0.00 C ATOM 1374 CG2 ILE A 94 3.235 -3.264 0.667 1.00 0.00 C ATOM 1375 CD1 ILE A 94 2.183 -0.535 1.634 1.00 0.00 C ATOM 0 H ILE A 94 5.129 -2.684 3.973 1.00 0.00 H new ATOM 0 HA ILE A 94 5.680 -3.632 1.257 1.00 0.00 H new ATOM 0 HB ILE A 94 4.469 -1.524 0.494 1.00 0.00 H new ATOM 0 HG12 ILE A 94 2.981 -1.890 3.093 1.00 0.00 H new ATOM 0 HG13 ILE A 94 4.045 -0.554 2.699 1.00 0.00 H new ATOM 0 HG21 ILE A 94 2.358 -2.796 0.219 1.00 0.00 H new ATOM 0 HG22 ILE A 94 3.793 -3.799 -0.101 1.00 0.00 H new ATOM 0 HG23 ILE A 94 2.918 -3.965 1.439 1.00 0.00 H new ATOM 0 HD11 ILE A 94 1.691 0.080 2.388 1.00 0.00 H new ATOM 0 HD12 ILE A 94 2.551 0.102 0.830 1.00 0.00 H new ATOM 0 HD13 ILE A 94 1.470 -1.254 1.230 1.00 0.00 H new ATOM 1387 N ARG A 95 7.333 -1.654 1.058 1.00 0.00 N ATOM 1388 CA ARG A 95 8.294 -0.571 0.920 1.00 0.00 C ATOM 1389 C ARG A 95 7.874 0.270 -0.256 1.00 0.00 C ATOM 1390 O ARG A 95 7.679 -0.227 -1.367 1.00 0.00 O ATOM 1391 CB ARG A 95 9.722 -1.095 0.798 1.00 0.00 C ATOM 1392 CG ARG A 95 10.795 0.005 0.686 1.00 0.00 C ATOM 1393 CD ARG A 95 11.766 -0.071 1.869 1.00 0.00 C ATOM 1394 NE ARG A 95 12.686 1.078 1.903 1.00 0.00 N ATOM 1395 CZ ARG A 95 13.544 1.343 2.893 1.00 0.00 C ATOM 1396 NH1 ARG A 95 13.658 0.526 3.938 1.00 0.00 N ATOM 1397 NH2 ARG A 95 14.315 2.427 2.841 1.00 0.00 N ATOM 0 H ARG A 95 7.361 -2.309 0.277 1.00 0.00 H new ATOM 0 HA ARG A 95 8.299 0.049 1.817 1.00 0.00 H new ATOM 0 HB2 ARG A 95 9.944 -1.715 1.666 1.00 0.00 H new ATOM 0 HB3 ARG A 95 9.786 -1.739 -0.079 1.00 0.00 H new ATOM 0 HG2 ARG A 95 11.343 -0.107 -0.250 1.00 0.00 H new ATOM 0 HG3 ARG A 95 10.319 0.985 0.661 1.00 0.00 H new ATOM 0 HD2 ARG A 95 11.201 -0.110 2.800 1.00 0.00 H new ATOM 0 HD3 ARG A 95 12.342 -0.994 1.807 1.00 0.00 H new ATOM 0 HE ARG A 95 12.667 1.720 1.111 1.00 0.00 H new ATOM 0 HH11 ARG A 95 13.086 -0.317 3.991 1.00 0.00 H new ATOM 0 HH12 ARG A 95 14.318 0.743 4.685 1.00 0.00 H new ATOM 0 HH21 ARG A 95 14.252 3.060 2.043 1.00 0.00 H new ATOM 0 HH22 ARG A 95 14.968 2.625 3.599 1.00 0.00 H new ATOM 1411 N LEU A 96 7.724 1.551 0.023 1.00 0.00 N ATOM 1412 CA LEU A 96 7.284 2.574 -0.904 1.00 0.00 C ATOM 1413 C LEU A 96 8.530 3.061 -1.649 1.00 0.00 C ATOM 1414 O LEU A 96 9.609 3.111 -1.046 1.00 0.00 O ATOM 1415 CB LEU A 96 6.593 3.685 -0.086 1.00 0.00 C ATOM 1416 CG LEU A 96 5.561 3.152 0.944 1.00 0.00 C ATOM 1417 CD1 LEU A 96 4.939 4.255 1.793 1.00 0.00 C ATOM 1418 CD2 LEU A 96 4.447 2.343 0.275 1.00 0.00 C ATOM 0 H LEU A 96 7.916 1.925 0.952 1.00 0.00 H new ATOM 0 HA LEU A 96 6.563 2.217 -1.640 1.00 0.00 H new ATOM 0 HB2 LEU A 96 7.353 4.263 0.440 1.00 0.00 H new ATOM 0 HB3 LEU A 96 6.090 4.368 -0.770 1.00 0.00 H new ATOM 0 HG LEU A 96 6.132 2.499 1.604 1.00 0.00 H new ATOM 0 HD11 LEU A 96 4.227 3.818 2.493 1.00 0.00 H new ATOM 0 HD12 LEU A 96 5.722 4.772 2.348 1.00 0.00 H new ATOM 0 HD13 LEU A 96 4.423 4.965 1.146 1.00 0.00 H new ATOM 0 HD21 LEU A 96 3.748 1.990 1.033 1.00 0.00 H new ATOM 0 HD22 LEU A 96 3.919 2.974 -0.440 1.00 0.00 H new ATOM 0 HD23 LEU A 96 4.880 1.489 -0.245 1.00 0.00 H new ATOM 1430 N VAL A 97 8.419 3.396 -2.938 1.00 0.00 N ATOM 1431 CA VAL A 97 9.571 3.837 -3.735 1.00 0.00 C ATOM 1432 C VAL A 97 9.355 5.228 -4.323 1.00 0.00 C ATOM 1433 O VAL A 97 8.241 5.605 -4.685 1.00 0.00 O ATOM 1434 CB VAL A 97 9.951 2.793 -4.812 1.00 0.00 C ATOM 1435 CG1 VAL A 97 10.647 1.612 -4.134 1.00 0.00 C ATOM 1436 CG2 VAL A 97 8.768 2.267 -5.647 1.00 0.00 C ATOM 0 H VAL A 97 7.540 3.370 -3.455 1.00 0.00 H new ATOM 0 HA VAL A 97 10.423 3.916 -3.060 1.00 0.00 H new ATOM 0 HB VAL A 97 10.607 3.309 -5.514 1.00 0.00 H new ATOM 0 HG11 VAL A 97 10.919 0.870 -4.885 1.00 0.00 H new ATOM 0 HG12 VAL A 97 11.546 1.962 -3.627 1.00 0.00 H new ATOM 0 HG13 VAL A 97 9.972 1.161 -3.406 1.00 0.00 H new ATOM 0 HG21 VAL A 97 9.131 1.541 -6.375 1.00 0.00 H new ATOM 0 HG22 VAL A 97 8.042 1.789 -4.989 1.00 0.00 H new ATOM 0 HG23 VAL A 97 8.293 3.098 -6.169 1.00 0.00 H new ATOM 1446 N GLY A 98 10.438 5.994 -4.452 1.00 0.00 N ATOM 1447 CA GLY A 98 10.469 7.351 -4.969 1.00 0.00 C ATOM 1448 C GLY A 98 9.694 8.257 -4.036 1.00 0.00 C ATOM 1449 O GLY A 98 10.209 8.664 -3.002 1.00 0.00 O ATOM 0 H GLY A 98 11.364 5.661 -4.183 1.00 0.00 H new ATOM 0 HA2 GLY A 98 11.499 7.696 -5.057 1.00 0.00 H new ATOM 0 HA3 GLY A 98 10.036 7.382 -5.969 1.00 0.00 H new ATOM 1453 N ARG A 99 8.448 8.548 -4.392 1.00 0.00 N ATOM 1454 CA ARG A 99 7.546 9.373 -3.612 1.00 0.00 C ATOM 1455 C ARG A 99 6.084 9.132 -3.962 1.00 0.00 C ATOM 1456 O ARG A 99 5.768 8.610 -5.033 1.00 0.00 O ATOM 1457 CB ARG A 99 7.910 10.858 -3.779 1.00 0.00 C ATOM 1458 CG ARG A 99 7.507 11.552 -5.097 1.00 0.00 C ATOM 1459 CD ARG A 99 8.044 10.808 -6.316 1.00 0.00 C ATOM 1460 NE ARG A 99 7.980 11.595 -7.554 1.00 0.00 N ATOM 1461 CZ ARG A 99 7.985 11.060 -8.780 1.00 0.00 C ATOM 1462 NH1 ARG A 99 7.773 9.754 -8.939 1.00 0.00 N ATOM 1463 NH2 ARG A 99 8.209 11.827 -9.837 1.00 0.00 N ATOM 0 H ARG A 99 8.030 8.204 -5.257 1.00 0.00 H new ATOM 0 HA ARG A 99 7.667 9.089 -2.567 1.00 0.00 H new ATOM 0 HB2 ARG A 99 7.454 11.409 -2.957 1.00 0.00 H new ATOM 0 HB3 ARG A 99 8.990 10.953 -3.667 1.00 0.00 H new ATOM 0 HG2 ARG A 99 6.420 11.613 -5.158 1.00 0.00 H new ATOM 0 HG3 ARG A 99 7.885 12.574 -5.100 1.00 0.00 H new ATOM 0 HD2 ARG A 99 9.079 10.520 -6.130 1.00 0.00 H new ATOM 0 HD3 ARG A 99 7.476 9.887 -6.450 1.00 0.00 H new ATOM 0 HE ARG A 99 7.929 12.611 -7.474 1.00 0.00 H new ATOM 0 HH11 ARG A 99 7.607 9.162 -8.126 1.00 0.00 H new ATOM 0 HH12 ARG A 99 7.777 9.347 -9.874 1.00 0.00 H new ATOM 0 HH21 ARG A 99 8.378 12.826 -9.716 1.00 0.00 H new ATOM 0 HH22 ARG A 99 8.213 11.419 -10.772 1.00 0.00 H new ATOM 1477 N VAL A 100 5.214 9.610 -3.089 1.00 0.00 N ATOM 1478 CA VAL A 100 3.801 9.886 -3.296 1.00 0.00 C ATOM 1479 C VAL A 100 3.568 11.376 -3.384 1.00 0.00 C ATOM 1480 O VAL A 100 4.256 12.151 -2.722 1.00 0.00 O ATOM 1481 CB VAL A 100 2.970 9.208 -2.205 1.00 0.00 C ATOM 1482 CG1 VAL A 100 3.555 9.276 -0.797 1.00 0.00 C ATOM 1483 CG2 VAL A 100 1.437 9.272 -2.391 1.00 0.00 C ATOM 0 H VAL A 100 5.502 9.834 -2.136 1.00 0.00 H new ATOM 0 HA VAL A 100 3.474 9.465 -4.247 1.00 0.00 H new ATOM 0 HB VAL A 100 3.102 8.141 -2.385 1.00 0.00 H new ATOM 0 HG11 VAL A 100 2.889 8.766 -0.101 1.00 0.00 H new ATOM 0 HG12 VAL A 100 4.532 8.792 -0.785 1.00 0.00 H new ATOM 0 HG13 VAL A 100 3.663 10.319 -0.498 1.00 0.00 H new ATOM 0 HG21 VAL A 100 0.948 8.761 -1.562 1.00 0.00 H new ATOM 0 HG22 VAL A 100 1.117 10.314 -2.415 1.00 0.00 H new ATOM 0 HG23 VAL A 100 1.164 8.787 -3.328 1.00 0.00 H new ATOM 1493 N ARG A 101 2.533 11.735 -4.139 1.00 0.00 N ATOM 1494 CA ARG A 101 1.730 12.930 -3.953 1.00 0.00 C ATOM 1495 C ARG A 101 0.270 12.534 -4.173 1.00 0.00 C ATOM 1496 O ARG A 101 -0.011 11.414 -4.609 1.00 0.00 O ATOM 1497 CB ARG A 101 2.174 14.052 -4.911 1.00 0.00 C ATOM 1498 CG ARG A 101 2.198 13.584 -6.378 1.00 0.00 C ATOM 1499 CD ARG A 101 1.562 14.555 -7.385 1.00 0.00 C ATOM 1500 NE ARG A 101 2.554 15.312 -8.157 1.00 0.00 N ATOM 1501 CZ ARG A 101 3.295 14.816 -9.150 1.00 0.00 C ATOM 1502 NH1 ARG A 101 3.250 13.516 -9.427 1.00 0.00 N ATOM 1503 NH2 ARG A 101 4.059 15.622 -9.881 1.00 0.00 N ATOM 0 H ARG A 101 2.221 11.173 -4.931 1.00 0.00 H new ATOM 0 HA ARG A 101 1.858 13.329 -2.947 1.00 0.00 H new ATOM 0 HB2 ARG A 101 1.498 14.901 -4.813 1.00 0.00 H new ATOM 0 HB3 ARG A 101 3.167 14.400 -4.626 1.00 0.00 H new ATOM 0 HG2 ARG A 101 3.234 13.410 -6.670 1.00 0.00 H new ATOM 0 HG3 ARG A 101 1.682 12.626 -6.446 1.00 0.00 H new ATOM 0 HD2 ARG A 101 0.927 13.994 -8.071 1.00 0.00 H new ATOM 0 HD3 ARG A 101 0.916 15.252 -6.851 1.00 0.00 H new ATOM 0 HE ARG A 101 2.688 16.294 -7.916 1.00 0.00 H new ATOM 0 HH11 ARG A 101 2.649 12.899 -8.881 1.00 0.00 H new ATOM 0 HH12 ARG A 101 3.816 13.136 -10.186 1.00 0.00 H new ATOM 0 HH21 ARG A 101 4.080 16.622 -9.684 1.00 0.00 H new ATOM 0 HH22 ARG A 101 4.624 15.240 -10.639 1.00 0.00 H new