USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 578 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: A 11 MET CE :methyl 168:sc= -0.217 (180deg=-0.606) USER MOD Set 1.2: A 48 HIS : no HD1:sc= -0.192 X(o=-0.41,f=-0.64) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 98:sc= 0.69 USER MOD Single : A 8 LYS NZ :NH3+ 146:sc= 0.27 (180deg=0.00735) USER MOD Single : A 9 THR OG1 : rot 44:sc= 0.652 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.844 K(o=-0.84,f=-0.16) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= -0.408 USER MOD Single : A 21 GLN : amide:sc= -0.359 X(o=-0.36,f=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot -101:sc= 0.575 USER MOD Single : A 32 SER OG : rot -49:sc= 0.405 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= -0.0385 USER MOD Single : A 46 MET CE :methyl -137:sc= -0.548 (180deg=-0.846) USER MOD Single : A 47 SER OG : rot 106:sc= 0.339 USER MOD Single : A 49 LYS NZ :NH3+ 176:sc= 0.396 (180deg=0.364) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 173:sc=-0.00038 (180deg=-0.0702) USER MOD Single : A 69 TYR OH : rot 169:sc= 0.00116 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 14 N ASP A 2 1.032 12.888 7.866 1.00 0.00 N ATOM 15 CA ASP A 2 2.118 12.340 7.057 1.00 0.00 C ATOM 16 C ASP A 2 1.889 10.852 6.794 1.00 0.00 C ATOM 17 O ASP A 2 1.210 10.177 7.570 1.00 0.00 O ATOM 18 CB ASP A 2 3.463 12.553 7.760 1.00 0.00 C ATOM 19 CG ASP A 2 4.650 12.282 6.852 1.00 0.00 C ATOM 20 OD1 ASP A 2 5.072 13.213 6.135 1.00 0.00 O ATOM 21 OD2 ASP A 2 5.154 11.139 6.857 1.00 0.00 O ATOM 0 HA ASP A 2 2.136 12.863 6.101 1.00 0.00 H new ATOM 0 HB2 ASP A 2 3.518 13.578 8.127 1.00 0.00 H new ATOM 0 HB3 ASP A 2 3.520 11.900 8.631 1.00 0.00 H new ATOM 26 N VAL A 3 2.453 10.345 5.698 1.00 0.00 N ATOM 27 CA VAL A 3 2.302 8.936 5.341 1.00 0.00 C ATOM 28 C VAL A 3 2.872 8.013 6.423 1.00 0.00 C ATOM 29 O VAL A 3 2.311 6.951 6.693 1.00 0.00 O ATOM 30 CB VAL A 3 2.975 8.618 3.984 1.00 0.00 C ATOM 31 CG1 VAL A 3 4.493 8.620 4.104 1.00 0.00 C ATOM 32 CG2 VAL A 3 2.476 7.287 3.438 1.00 0.00 C ATOM 0 H VAL A 3 3.017 10.888 5.044 1.00 0.00 H new ATOM 0 HA VAL A 3 1.231 8.752 5.254 1.00 0.00 H new ATOM 0 HB VAL A 3 2.699 9.404 3.281 1.00 0.00 H new ATOM 0 HG11 VAL A 3 4.935 8.393 3.134 1.00 0.00 H new ATOM 0 HG12 VAL A 3 4.830 9.602 4.436 1.00 0.00 H new ATOM 0 HG13 VAL A 3 4.802 7.866 4.828 1.00 0.00 H new ATOM 0 HG21 VAL A 3 2.960 7.081 2.484 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.713 6.492 4.145 1.00 0.00 H new ATOM 0 HG23 VAL A 3 1.397 7.334 3.294 1.00 0.00 H new ATOM 42 N TRP A 4 3.984 8.425 7.041 1.00 0.00 N ATOM 43 CA TRP A 4 4.617 7.624 8.087 1.00 0.00 C ATOM 44 C TRP A 4 3.966 7.887 9.446 1.00 0.00 C ATOM 45 O TRP A 4 3.722 6.949 10.208 1.00 0.00 O ATOM 46 CB TRP A 4 6.119 7.913 8.152 1.00 0.00 C ATOM 47 CG TRP A 4 6.962 6.674 8.200 1.00 0.00 C ATOM 48 CD1 TRP A 4 6.812 5.609 9.041 1.00 0.00 C ATOM 49 CD2 TRP A 4 8.094 6.377 7.373 1.00 0.00 C ATOM 50 NE1 TRP A 4 7.777 4.665 8.783 1.00 0.00 N ATOM 51 CE2 TRP A 4 8.576 5.113 7.766 1.00 0.00 C ATOM 52 CE3 TRP A 4 8.745 7.054 6.338 1.00 0.00 C ATOM 53 CZ2 TRP A 4 9.678 4.516 7.159 1.00 0.00 C ATOM 54 CZ3 TRP A 4 9.839 6.460 5.737 1.00 0.00 C ATOM 55 CH2 TRP A 4 10.295 5.202 6.149 1.00 0.00 C ATOM 0 H TRP A 4 4.460 9.303 6.835 1.00 0.00 H new ATOM 0 HA TRP A 4 4.475 6.572 7.838 1.00 0.00 H new ATOM 0 HB2 TRP A 4 6.406 8.505 7.283 1.00 0.00 H new ATOM 0 HB3 TRP A 4 6.327 8.520 9.033 1.00 0.00 H new ATOM 0 HD1 TRP A 4 6.047 5.521 9.798 1.00 0.00 H new ATOM 0 HE1 TRP A 4 7.881 3.775 9.270 1.00 0.00 H new ATOM 0 HE3 TRP A 4 8.399 8.024 6.013 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 10.033 3.546 7.474 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 10.350 6.975 4.937 1.00 0.00 H new ATOM 0 HH2 TRP A 4 11.152 4.764 5.659 1.00 0.00 H new ATOM 66 N SER A 5 3.691 9.160 9.749 1.00 0.00 N ATOM 67 CA SER A 5 3.044 9.526 11.011 1.00 0.00 C ATOM 68 C SER A 5 1.675 8.855 11.100 1.00 0.00 C ATOM 69 O SER A 5 1.368 8.178 12.083 1.00 0.00 O ATOM 70 CB SER A 5 2.898 11.047 11.120 1.00 0.00 C ATOM 71 OG SER A 5 2.301 11.418 12.352 1.00 0.00 O ATOM 0 H SER A 5 3.905 9.950 9.140 1.00 0.00 H new ATOM 0 HA SER A 5 3.665 9.183 11.838 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.878 11.516 11.032 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.292 11.417 10.293 1.00 0.00 H new ATOM 0 HG SER A 5 2.221 12.394 12.396 1.00 0.00 H new ATOM 77 N LEU A 6 0.860 9.049 10.064 1.00 0.00 N ATOM 78 CA LEU A 6 -0.475 8.464 10.011 1.00 0.00 C ATOM 79 C LEU A 6 -0.447 7.174 9.197 1.00 0.00 C ATOM 80 O LEU A 6 -0.658 7.188 7.982 1.00 0.00 O ATOM 81 CB LEU A 6 -1.472 9.457 9.402 1.00 0.00 C ATOM 82 CG LEU A 6 -1.548 10.819 10.099 1.00 0.00 C ATOM 83 CD1 LEU A 6 -2.569 11.712 9.411 1.00 0.00 C ATOM 84 CD2 LEU A 6 -1.891 10.650 11.573 1.00 0.00 C ATOM 0 H LEU A 6 1.104 9.610 9.248 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.797 8.233 11.027 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.208 9.617 8.357 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.464 9.005 9.415 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.570 11.296 10.029 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.610 12.676 9.919 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -2.279 11.862 8.371 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -3.550 11.239 9.449 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.940 11.629 12.050 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.856 10.152 11.667 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.123 10.048 12.059 1.00 0.00 H new ATOM 96 N SER A 7 -0.172 6.063 9.876 1.00 0.00 N ATOM 97 CA SER A 7 -0.096 4.759 9.222 1.00 0.00 C ATOM 98 C SER A 7 -1.122 3.762 9.776 1.00 0.00 C ATOM 99 O SER A 7 -1.042 2.567 9.491 1.00 0.00 O ATOM 100 CB SER A 7 1.318 4.190 9.357 1.00 0.00 C ATOM 101 OG SER A 7 2.257 4.979 8.648 1.00 0.00 O ATOM 0 H SER A 7 0.002 6.040 10.881 1.00 0.00 H new ATOM 0 HA SER A 7 -0.335 4.910 8.169 1.00 0.00 H new ATOM 0 HB2 SER A 7 1.597 4.147 10.410 1.00 0.00 H new ATOM 0 HB3 SER A 7 1.339 3.168 8.979 1.00 0.00 H new ATOM 0 HG SER A 7 2.701 5.595 9.268 1.00 0.00 H new ATOM 107 N LYS A 8 -2.088 4.251 10.559 1.00 0.00 N ATOM 108 CA LYS A 8 -3.118 3.386 11.129 1.00 0.00 C ATOM 109 C LYS A 8 -4.460 3.554 10.403 1.00 0.00 C ATOM 110 O LYS A 8 -5.523 3.373 10.999 1.00 0.00 O ATOM 111 CB LYS A 8 -3.281 3.677 12.624 1.00 0.00 C ATOM 112 CG LYS A 8 -2.008 3.465 13.438 1.00 0.00 C ATOM 113 CD LYS A 8 -1.351 2.122 13.137 1.00 0.00 C ATOM 114 CE LYS A 8 -2.258 0.952 13.495 1.00 0.00 C ATOM 115 NZ LYS A 8 -1.650 -0.357 13.125 1.00 0.00 N ATOM 0 H LYS A 8 -2.176 5.236 10.810 1.00 0.00 H new ATOM 0 HA LYS A 8 -2.798 2.352 10.998 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.613 4.708 12.749 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -4.067 3.038 13.025 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -1.303 4.269 13.224 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.244 3.522 14.501 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -1.095 2.072 12.079 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.418 2.042 13.694 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -2.464 0.967 14.565 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -3.215 1.065 12.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.929 -1.078 13.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -1.982 -0.640 12.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -0.614 -0.268 13.115 1.00 0.00 H new ATOM 129 N THR A 9 -4.399 3.886 9.110 1.00 0.00 N ATOM 130 CA THR A 9 -5.601 4.068 8.297 1.00 0.00 C ATOM 131 C THR A 9 -5.689 2.987 7.218 1.00 0.00 C ATOM 132 O THR A 9 -5.007 3.060 6.192 1.00 0.00 O ATOM 133 CB THR A 9 -5.631 5.463 7.634 1.00 0.00 C ATOM 134 OG1 THR A 9 -4.448 5.668 6.847 1.00 0.00 O ATOM 135 CG2 THR A 9 -5.745 6.559 8.684 1.00 0.00 C ATOM 0 H THR A 9 -3.526 4.034 8.604 1.00 0.00 H new ATOM 0 HA THR A 9 -6.459 3.985 8.964 1.00 0.00 H new ATOM 0 HB THR A 9 -6.505 5.509 6.985 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.253 4.857 6.332 1.00 0.00 H new ATOM 0 HG21 THR A 9 -5.764 7.532 8.193 1.00 0.00 H new ATOM 0 HG22 THR A 9 -6.663 6.422 9.255 1.00 0.00 H new ATOM 0 HG23 THR A 9 -4.889 6.509 9.357 1.00 0.00 H new ATOM 143 N SER A 10 -6.525 1.978 7.463 1.00 0.00 N ATOM 144 CA SER A 10 -6.691 0.868 6.521 1.00 0.00 C ATOM 145 C SER A 10 -7.672 1.212 5.401 1.00 0.00 C ATOM 146 O SER A 10 -8.430 2.180 5.495 1.00 0.00 O ATOM 147 CB SER A 10 -7.167 -0.388 7.260 1.00 0.00 C ATOM 148 OG SER A 10 -8.386 -0.151 7.944 1.00 0.00 O ATOM 0 H SER A 10 -7.098 1.905 8.304 1.00 0.00 H new ATOM 0 HA SER A 10 -5.718 0.679 6.067 1.00 0.00 H new ATOM 0 HB2 SER A 10 -7.299 -1.203 6.549 1.00 0.00 H new ATOM 0 HB3 SER A 10 -6.404 -0.706 7.971 1.00 0.00 H new ATOM 0 HG SER A 10 -8.667 -0.969 8.405 1.00 0.00 H new ATOM 154 N MET A 11 -7.644 0.405 4.340 1.00 0.00 N ATOM 155 CA MET A 11 -8.524 0.595 3.191 1.00 0.00 C ATOM 156 C MET A 11 -9.140 -0.737 2.767 1.00 0.00 C ATOM 157 O MET A 11 -8.501 -1.786 2.875 1.00 0.00 O ATOM 158 CB MET A 11 -7.752 1.213 2.023 1.00 0.00 C ATOM 159 CG MET A 11 -8.633 1.620 0.852 1.00 0.00 C ATOM 160 SD MET A 11 -9.785 2.945 1.272 1.00 0.00 S ATOM 161 CE MET A 11 -8.653 4.287 1.626 1.00 0.00 C ATOM 0 H MET A 11 -7.015 -0.393 4.255 1.00 0.00 H new ATOM 0 HA MET A 11 -9.325 1.276 3.480 1.00 0.00 H new ATOM 0 HB2 MET A 11 -7.211 2.089 2.380 1.00 0.00 H new ATOM 0 HB3 MET A 11 -7.007 0.499 1.674 1.00 0.00 H new ATOM 0 HG2 MET A 11 -8.002 1.942 0.023 1.00 0.00 H new ATOM 0 HG3 MET A 11 -9.195 0.752 0.507 1.00 0.00 H new ATOM 0 HE1 MET A 11 -9.208 5.223 1.692 1.00 0.00 H new ATOM 0 HE2 MET A 11 -8.148 4.097 2.573 1.00 0.00 H new ATOM 0 HE3 MET A 11 -7.913 4.359 0.829 1.00 0.00 H new ATOM 171 N THR A 12 -10.379 -0.692 2.280 1.00 0.00 N ATOM 172 CA THR A 12 -11.078 -1.902 1.856 1.00 0.00 C ATOM 173 C THR A 12 -10.901 -2.166 0.360 1.00 0.00 C ATOM 174 O THR A 12 -11.198 -1.310 -0.476 1.00 0.00 O ATOM 175 CB THR A 12 -12.585 -1.823 2.183 1.00 0.00 C ATOM 176 OG1 THR A 12 -12.770 -1.568 3.580 1.00 0.00 O ATOM 177 CG2 THR A 12 -13.296 -3.116 1.804 1.00 0.00 C ATOM 0 H THR A 12 -10.918 0.167 2.170 1.00 0.00 H new ATOM 0 HA THR A 12 -10.633 -2.727 2.412 1.00 0.00 H new ATOM 0 HB THR A 12 -13.014 -1.007 1.601 1.00 0.00 H new ATOM 0 HG1 THR A 12 -13.728 -1.518 3.779 1.00 0.00 H new ATOM 0 HG21 THR A 12 -14.356 -3.033 2.045 1.00 0.00 H new ATOM 0 HG22 THR A 12 -13.180 -3.295 0.735 1.00 0.00 H new ATOM 0 HG23 THR A 12 -12.862 -3.947 2.360 1.00 0.00 H new ATOM 185 N PHE A 13 -10.413 -3.364 0.038 1.00 0.00 N ATOM 186 CA PHE A 13 -10.201 -3.784 -1.344 1.00 0.00 C ATOM 187 C PHE A 13 -11.412 -4.566 -1.843 1.00 0.00 C ATOM 188 O PHE A 13 -12.023 -5.328 -1.091 1.00 0.00 O ATOM 189 CB PHE A 13 -8.945 -4.657 -1.450 1.00 0.00 C ATOM 190 CG PHE A 13 -7.659 -3.911 -1.228 1.00 0.00 C ATOM 191 CD1 PHE A 13 -7.302 -3.476 0.039 1.00 0.00 C ATOM 192 CD2 PHE A 13 -6.802 -3.653 -2.286 1.00 0.00 C ATOM 193 CE1 PHE A 13 -6.118 -2.798 0.245 1.00 0.00 C ATOM 194 CE2 PHE A 13 -5.616 -2.973 -2.085 1.00 0.00 C ATOM 195 CZ PHE A 13 -5.273 -2.546 -0.819 1.00 0.00 C ATOM 0 H PHE A 13 -10.154 -4.069 0.728 1.00 0.00 H new ATOM 0 HA PHE A 13 -10.067 -2.895 -1.960 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -9.014 -5.465 -0.721 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -8.919 -5.119 -2.437 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -7.958 -3.670 0.875 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -7.064 -3.987 -3.279 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -5.852 -2.464 1.237 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -4.958 -2.776 -2.919 1.00 0.00 H new ATOM 0 HZ PHE A 13 -4.346 -2.016 -0.660 1.00 0.00 H new ATOM 205 N GLN A 14 -11.753 -4.375 -3.117 1.00 0.00 N ATOM 206 CA GLN A 14 -12.886 -5.069 -3.719 1.00 0.00 C ATOM 207 C GLN A 14 -12.425 -5.933 -4.891 1.00 0.00 C ATOM 208 O GLN A 14 -12.012 -5.413 -5.930 1.00 0.00 O ATOM 209 CB GLN A 14 -13.949 -4.068 -4.182 1.00 0.00 C ATOM 210 CG GLN A 14 -15.163 -4.722 -4.832 1.00 0.00 C ATOM 211 CD GLN A 14 -15.797 -5.808 -3.973 1.00 0.00 C ATOM 212 OE1 GLN A 14 -16.286 -6.811 -4.493 1.00 0.00 O ATOM 213 NE2 GLN A 14 -15.808 -5.613 -2.655 1.00 0.00 N ATOM 0 H GLN A 14 -11.260 -3.745 -3.750 1.00 0.00 H new ATOM 0 HA GLN A 14 -13.329 -5.718 -2.963 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -14.279 -3.480 -3.326 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -13.498 -3.374 -4.891 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -15.909 -3.956 -5.045 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -14.866 -5.153 -5.788 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -15.393 -4.769 -2.261 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -16.232 -6.308 -2.040 1.00 0.00 H new ATOM 222 N PRO A 15 -12.486 -7.270 -4.735 1.00 0.00 N ATOM 223 CA PRO A 15 -12.072 -8.210 -5.783 1.00 0.00 C ATOM 224 C PRO A 15 -12.884 -8.045 -7.066 1.00 0.00 C ATOM 225 O PRO A 15 -14.057 -7.665 -7.023 1.00 0.00 O ATOM 226 CB PRO A 15 -12.327 -9.589 -5.165 1.00 0.00 C ATOM 227 CG PRO A 15 -12.415 -9.354 -3.697 1.00 0.00 C ATOM 228 CD PRO A 15 -12.957 -7.966 -3.524 1.00 0.00 C ATOM 0 HA PRO A 15 -11.035 -8.050 -6.077 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -13.248 -10.027 -5.549 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -11.521 -10.282 -5.404 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -13.068 -10.088 -3.224 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -11.435 -9.450 -3.229 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -14.045 -7.964 -3.455 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -12.579 -7.496 -2.616 1.00 0.00 H new ATOM 236 N LYS A 16 -12.254 -8.336 -8.203 1.00 0.00 N ATOM 237 CA LYS A 16 -12.921 -8.230 -9.500 1.00 0.00 C ATOM 238 C LYS A 16 -13.860 -9.414 -9.731 1.00 0.00 C ATOM 239 O LYS A 16 -14.953 -9.249 -10.276 1.00 0.00 O ATOM 240 CB LYS A 16 -11.889 -8.146 -10.630 1.00 0.00 C ATOM 241 CG LYS A 16 -11.014 -6.900 -10.572 1.00 0.00 C ATOM 242 CD LYS A 16 -11.847 -5.629 -10.521 1.00 0.00 C ATOM 243 CE LYS A 16 -10.969 -4.389 -10.431 1.00 0.00 C ATOM 244 NZ LYS A 16 -11.769 -3.156 -10.192 1.00 0.00 N ATOM 0 H LYS A 16 -11.284 -8.647 -8.253 1.00 0.00 H new ATOM 0 HA LYS A 16 -13.515 -7.316 -9.498 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -11.251 -9.029 -10.593 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -12.410 -8.169 -11.587 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -10.370 -6.948 -9.694 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -10.362 -6.873 -11.445 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -12.474 -5.568 -11.410 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -12.516 -5.666 -9.661 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -10.246 -4.514 -9.625 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -10.401 -4.279 -11.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -11.133 -2.335 -10.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -12.442 -3.022 -10.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -12.292 -3.249 -9.298 1.00 0.00 H new ATOM 258 N LYS A 17 -13.426 -10.608 -9.314 1.00 0.00 N ATOM 259 CA LYS A 17 -14.230 -11.821 -9.471 1.00 0.00 C ATOM 260 C LYS A 17 -14.636 -12.394 -8.111 1.00 0.00 C ATOM 261 O LYS A 17 -14.033 -12.073 -7.084 1.00 0.00 O ATOM 262 CB LYS A 17 -13.472 -12.880 -10.286 1.00 0.00 C ATOM 263 CG LYS A 17 -12.034 -13.108 -9.835 1.00 0.00 C ATOM 264 CD LYS A 17 -11.055 -12.230 -10.603 1.00 0.00 C ATOM 265 CE LYS A 17 -11.028 -12.580 -12.084 1.00 0.00 C ATOM 266 NZ LYS A 17 -10.039 -11.756 -12.833 1.00 0.00 N ATOM 0 H LYS A 17 -12.522 -10.759 -8.865 1.00 0.00 H new ATOM 0 HA LYS A 17 -15.135 -11.547 -10.013 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -14.013 -13.824 -10.226 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -13.469 -12.581 -11.334 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -11.950 -12.899 -8.768 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -11.770 -14.156 -9.976 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.332 -11.183 -10.481 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.056 -12.346 -10.183 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -10.785 -13.636 -12.203 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -12.020 -12.432 -12.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -10.052 -12.026 -13.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -10.285 -10.750 -12.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -9.088 -11.916 -12.444 1.00 0.00 H new ATOM 280 N ALA A 18 -15.664 -13.246 -8.118 1.00 0.00 N ATOM 281 CA ALA A 18 -16.170 -13.867 -6.893 1.00 0.00 C ATOM 282 C ALA A 18 -15.115 -14.740 -6.212 1.00 0.00 C ATOM 283 O ALA A 18 -15.033 -14.772 -4.982 1.00 0.00 O ATOM 284 CB ALA A 18 -17.416 -14.688 -7.195 1.00 0.00 C ATOM 0 H ALA A 18 -16.164 -13.522 -8.963 1.00 0.00 H new ATOM 0 HA ALA A 18 -16.424 -13.064 -6.202 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -17.782 -15.145 -6.276 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -18.187 -14.039 -7.610 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -17.172 -15.469 -7.915 1.00 0.00 H new ATOM 290 N SER A 19 -14.314 -15.450 -7.014 1.00 0.00 N ATOM 291 CA SER A 19 -13.264 -16.324 -6.483 1.00 0.00 C ATOM 292 C SER A 19 -12.345 -15.569 -5.519 1.00 0.00 C ATOM 293 O SER A 19 -11.954 -16.104 -4.480 1.00 0.00 O ATOM 294 CB SER A 19 -12.441 -16.928 -7.626 1.00 0.00 C ATOM 295 OG SER A 19 -11.826 -15.918 -8.408 1.00 0.00 O ATOM 0 H SER A 19 -14.373 -15.436 -8.032 1.00 0.00 H new ATOM 0 HA SER A 19 -13.750 -17.128 -5.930 1.00 0.00 H new ATOM 0 HB2 SER A 19 -11.677 -17.590 -7.217 1.00 0.00 H new ATOM 0 HB3 SER A 19 -13.086 -17.538 -8.258 1.00 0.00 H new ATOM 0 HG SER A 19 -11.307 -16.333 -9.128 1.00 0.00 H new ATOM 301 N LEU A 20 -12.007 -14.327 -5.871 1.00 0.00 N ATOM 302 CA LEU A 20 -11.139 -13.497 -5.041 1.00 0.00 C ATOM 303 C LEU A 20 -11.892 -12.954 -3.825 1.00 0.00 C ATOM 304 O LEU A 20 -13.114 -12.785 -3.863 1.00 0.00 O ATOM 305 CB LEU A 20 -10.580 -12.338 -5.868 1.00 0.00 C ATOM 306 CG LEU A 20 -9.691 -12.744 -7.047 1.00 0.00 C ATOM 307 CD1 LEU A 20 -9.375 -11.534 -7.911 1.00 0.00 C ATOM 308 CD2 LEU A 20 -8.406 -13.392 -6.554 1.00 0.00 C ATOM 0 H LEU A 20 -12.324 -13.875 -6.729 1.00 0.00 H new ATOM 0 HA LEU A 20 -10.317 -14.117 -4.683 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -11.415 -11.750 -6.249 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -10.006 -11.687 -5.209 1.00 0.00 H new ATOM 0 HG LEU A 20 -10.233 -13.473 -7.650 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -8.742 -11.838 -8.745 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -10.302 -11.109 -8.295 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -8.853 -10.786 -7.313 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -7.789 -13.673 -7.408 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.860 -12.686 -5.928 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -8.647 -14.282 -5.972 1.00 0.00 H new ATOM 320 N GLN A 21 -11.152 -12.680 -2.749 1.00 0.00 N ATOM 321 CA GLN A 21 -11.741 -12.162 -1.515 1.00 0.00 C ATOM 322 C GLN A 21 -11.208 -10.766 -1.187 1.00 0.00 C ATOM 323 O GLN A 21 -10.037 -10.468 -1.432 1.00 0.00 O ATOM 324 CB GLN A 21 -11.458 -13.113 -0.345 1.00 0.00 C ATOM 325 CG GLN A 21 -9.975 -13.329 -0.069 1.00 0.00 C ATOM 326 CD GLN A 21 -9.704 -14.044 1.248 1.00 0.00 C ATOM 327 OE1 GLN A 21 -8.698 -13.779 1.907 1.00 0.00 O ATOM 328 NE2 GLN A 21 -10.586 -14.963 1.635 1.00 0.00 N ATOM 0 H GLN A 21 -10.141 -12.809 -2.708 1.00 0.00 H new ATOM 0 HA GLN A 21 -12.818 -12.091 -1.668 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -11.931 -12.718 0.554 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -11.923 -14.077 -0.552 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -9.542 -13.908 -0.884 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -9.470 -12.363 -0.060 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -11.408 -15.155 1.062 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -10.440 -15.476 2.505 1.00 0.00 H new ATOM 337 N PRO A 22 -12.071 -9.891 -0.625 1.00 0.00 N ATOM 338 CA PRO A 22 -11.696 -8.514 -0.258 1.00 0.00 C ATOM 339 C PRO A 22 -10.520 -8.452 0.716 1.00 0.00 C ATOM 340 O PRO A 22 -10.123 -9.466 1.296 1.00 0.00 O ATOM 341 CB PRO A 22 -12.966 -7.961 0.401 1.00 0.00 C ATOM 342 CG PRO A 22 -14.069 -8.802 -0.137 1.00 0.00 C ATOM 343 CD PRO A 22 -13.483 -10.173 -0.312 1.00 0.00 C ATOM 0 HA PRO A 22 -11.363 -7.947 -1.127 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -12.910 -8.029 1.487 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -13.114 -6.909 0.155 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -14.916 -8.822 0.548 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -14.435 -8.408 -1.085 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -13.584 -10.774 0.592 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -13.973 -10.722 -1.116 1.00 0.00 H new ATOM 351 N LEU A 23 -9.968 -7.250 0.894 1.00 0.00 N ATOM 352 CA LEU A 23 -8.831 -7.047 1.790 1.00 0.00 C ATOM 353 C LEU A 23 -8.980 -5.752 2.585 1.00 0.00 C ATOM 354 O LEU A 23 -9.542 -4.774 2.095 1.00 0.00 O ATOM 355 CB LEU A 23 -7.531 -7.020 0.980 1.00 0.00 C ATOM 356 CG LEU A 23 -6.243 -7.189 1.793 1.00 0.00 C ATOM 357 CD1 LEU A 23 -5.181 -7.890 0.960 1.00 0.00 C ATOM 358 CD2 LEU A 23 -5.730 -5.840 2.275 1.00 0.00 C ATOM 0 H LEU A 23 -10.292 -6.402 0.428 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.800 -7.875 2.498 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.574 -7.811 0.231 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.479 -6.074 0.442 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.466 -7.803 2.665 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.272 -8.003 1.550 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.544 -8.873 0.660 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.965 -7.297 0.071 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.815 -5.983 2.850 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.523 -5.202 1.416 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.484 -5.368 2.905 1.00 0.00 H new ATOM 370 N THR A 24 -8.479 -5.755 3.818 1.00 0.00 N ATOM 371 CA THR A 24 -8.548 -4.577 4.676 1.00 0.00 C ATOM 372 C THR A 24 -7.276 -4.433 5.511 1.00 0.00 C ATOM 373 O THR A 24 -7.196 -4.938 6.633 1.00 0.00 O ATOM 374 CB THR A 24 -9.778 -4.620 5.608 1.00 0.00 C ATOM 375 OG1 THR A 24 -10.959 -4.913 4.851 1.00 0.00 O ATOM 376 CG2 THR A 24 -9.958 -3.290 6.328 1.00 0.00 C ATOM 0 H THR A 24 -8.021 -6.560 4.244 1.00 0.00 H new ATOM 0 HA THR A 24 -8.645 -3.712 4.020 1.00 0.00 H new ATOM 0 HB THR A 24 -9.614 -5.403 6.349 1.00 0.00 H new ATOM 0 HG1 THR A 24 -11.734 -4.940 5.451 1.00 0.00 H new ATOM 0 HG21 THR A 24 -10.831 -3.344 6.979 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.072 -3.077 6.926 1.00 0.00 H new ATOM 0 HG23 THR A 24 -10.101 -2.496 5.595 1.00 0.00 H new ATOM 384 N ILE A 25 -6.279 -3.753 4.944 1.00 0.00 N ATOM 385 CA ILE A 25 -4.999 -3.559 5.622 1.00 0.00 C ATOM 386 C ILE A 25 -4.563 -2.090 5.604 1.00 0.00 C ATOM 387 O ILE A 25 -4.983 -1.315 4.741 1.00 0.00 O ATOM 388 CB ILE A 25 -3.899 -4.432 4.975 1.00 0.00 C ATOM 389 CG1 ILE A 25 -2.692 -4.562 5.908 1.00 0.00 C ATOM 390 CG2 ILE A 25 -3.478 -3.861 3.626 1.00 0.00 C ATOM 391 CD1 ILE A 25 -2.978 -5.365 7.158 1.00 0.00 C ATOM 0 H ILE A 25 -6.334 -3.328 4.018 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.138 -3.862 6.660 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.310 -5.428 4.809 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -1.872 -5.031 5.364 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -2.356 -3.566 6.195 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.703 -4.492 3.190 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -4.340 -3.831 2.959 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.090 -2.852 3.763 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.079 -5.416 7.772 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -3.777 -4.885 7.724 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -3.285 -6.373 6.880 1.00 0.00 H new ATOM 403 N SER A 26 -3.717 -1.722 6.569 1.00 0.00 N ATOM 404 CA SER A 26 -3.213 -0.355 6.683 1.00 0.00 C ATOM 405 C SER A 26 -1.689 -0.300 6.531 1.00 0.00 C ATOM 406 O SER A 26 -1.013 -1.329 6.544 1.00 0.00 O ATOM 407 CB SER A 26 -3.619 0.232 8.039 1.00 0.00 C ATOM 408 OG SER A 26 -3.176 1.570 8.177 1.00 0.00 O ATOM 0 H SER A 26 -3.366 -2.357 7.286 1.00 0.00 H new ATOM 0 HA SER A 26 -3.651 0.233 5.877 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.703 0.194 8.144 1.00 0.00 H new ATOM 0 HB3 SER A 26 -3.200 -0.376 8.841 1.00 0.00 H new ATOM 0 HG SER A 26 -2.371 1.592 8.736 1.00 0.00 H new ATOM 414 N LEU A 27 -1.166 0.921 6.379 1.00 0.00 N ATOM 415 CA LEU A 27 0.273 1.165 6.242 1.00 0.00 C ATOM 416 C LEU A 27 1.077 0.460 7.339 1.00 0.00 C ATOM 417 O LEU A 27 1.853 -0.454 7.060 1.00 0.00 O ATOM 418 CB LEU A 27 0.548 2.676 6.303 1.00 0.00 C ATOM 419 CG LEU A 27 -0.193 3.522 5.263 1.00 0.00 C ATOM 420 CD1 LEU A 27 0.199 4.988 5.389 1.00 0.00 C ATOM 421 CD2 LEU A 27 0.087 3.015 3.855 1.00 0.00 C ATOM 0 H LEU A 27 -1.731 1.770 6.347 1.00 0.00 H new ATOM 0 HA LEU A 27 0.588 0.761 5.280 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.281 3.037 7.296 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.619 2.838 6.182 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.263 3.432 5.452 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.337 5.574 4.642 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.057 5.349 6.385 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.272 5.093 5.230 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.450 3.631 3.133 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.157 3.070 3.655 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.246 1.981 3.768 1.00 0.00 H new ATOM 433 N ASP A 28 0.872 0.885 8.586 1.00 0.00 N ATOM 434 CA ASP A 28 1.587 0.323 9.733 1.00 0.00 C ATOM 435 C ASP A 28 1.295 -1.167 9.903 1.00 0.00 C ATOM 436 O ASP A 28 2.180 -1.939 10.278 1.00 0.00 O ATOM 437 CB ASP A 28 1.200 1.075 11.011 1.00 0.00 C ATOM 438 CG ASP A 28 1.998 0.624 12.219 1.00 0.00 C ATOM 439 OD1 ASP A 28 3.121 1.135 12.413 1.00 0.00 O ATOM 440 OD2 ASP A 28 1.499 -0.240 12.972 1.00 0.00 O ATOM 0 H ASP A 28 0.211 1.623 8.829 1.00 0.00 H new ATOM 0 HA ASP A 28 2.655 0.438 9.548 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.351 2.144 10.859 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.138 0.928 11.207 1.00 0.00 H new ATOM 445 N GLU A 29 0.055 -1.564 9.625 1.00 0.00 N ATOM 446 CA GLU A 29 -0.353 -2.957 9.758 1.00 0.00 C ATOM 447 C GLU A 29 0.184 -3.827 8.615 1.00 0.00 C ATOM 448 O GLU A 29 0.094 -5.055 8.682 1.00 0.00 O ATOM 449 CB GLU A 29 -1.883 -3.049 9.812 1.00 0.00 C ATOM 450 CG GLU A 29 -2.407 -4.396 10.288 1.00 0.00 C ATOM 451 CD GLU A 29 -1.951 -4.741 11.693 1.00 0.00 C ATOM 452 OE1 GLU A 29 -2.612 -4.302 12.657 1.00 0.00 O ATOM 453 OE2 GLU A 29 -0.932 -5.453 11.829 1.00 0.00 O ATOM 0 H GLU A 29 -0.684 -0.938 9.306 1.00 0.00 H new ATOM 0 HA GLU A 29 0.073 -3.337 10.686 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.260 -2.270 10.474 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -2.284 -2.845 8.819 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -3.497 -4.389 10.256 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.073 -5.174 9.601 1.00 0.00 H new ATOM 460 N LEU A 30 0.753 -3.204 7.572 1.00 0.00 N ATOM 461 CA LEU A 30 1.277 -3.964 6.439 1.00 0.00 C ATOM 462 C LEU A 30 2.781 -3.745 6.209 1.00 0.00 C ATOM 463 O LEU A 30 3.326 -4.211 5.209 1.00 0.00 O ATOM 464 CB LEU A 30 0.491 -3.627 5.168 1.00 0.00 C ATOM 465 CG LEU A 30 0.764 -4.527 3.960 1.00 0.00 C ATOM 466 CD1 LEU A 30 0.453 -5.981 4.287 1.00 0.00 C ATOM 467 CD2 LEU A 30 -0.050 -4.066 2.763 1.00 0.00 C ATOM 0 H LEU A 30 0.859 -2.193 7.494 1.00 0.00 H new ATOM 0 HA LEU A 30 1.149 -5.019 6.683 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.573 -3.672 5.398 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.713 -2.597 4.888 1.00 0.00 H new ATOM 0 HG LEU A 30 1.823 -4.454 3.711 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.655 -6.601 3.414 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.078 -6.309 5.117 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.597 -6.075 4.564 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.155 -4.715 1.912 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.112 -4.110 3.006 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.222 -3.041 2.511 1.00 0.00 H new ATOM 479 N PHE A 31 3.456 -3.053 7.136 1.00 0.00 N ATOM 480 CA PHE A 31 4.897 -2.830 6.990 1.00 0.00 C ATOM 481 C PHE A 31 5.621 -3.073 8.313 1.00 0.00 C ATOM 482 O PHE A 31 5.118 -2.708 9.378 1.00 0.00 O ATOM 483 CB PHE A 31 5.209 -1.424 6.454 1.00 0.00 C ATOM 484 CG PHE A 31 4.511 -1.085 5.163 1.00 0.00 C ATOM 485 CD1 PHE A 31 4.621 -1.912 4.055 1.00 0.00 C ATOM 486 CD2 PHE A 31 3.743 0.065 5.059 1.00 0.00 C ATOM 487 CE1 PHE A 31 3.978 -1.598 2.874 1.00 0.00 C ATOM 488 CE2 PHE A 31 3.099 0.382 3.880 1.00 0.00 C ATOM 489 CZ PHE A 31 3.216 -0.451 2.787 1.00 0.00 C ATOM 0 H PHE A 31 3.039 -2.648 7.974 1.00 0.00 H new ATOM 0 HA PHE A 31 5.262 -3.548 6.256 1.00 0.00 H new ATOM 0 HB2 PHE A 31 4.929 -0.689 7.209 1.00 0.00 H new ATOM 0 HB3 PHE A 31 6.285 -1.335 6.306 1.00 0.00 H new ATOM 0 HD1 PHE A 31 5.216 -2.811 4.117 1.00 0.00 H new ATOM 0 HD2 PHE A 31 3.648 0.721 5.912 1.00 0.00 H new ATOM 0 HE1 PHE A 31 4.072 -2.250 2.018 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.504 1.281 3.813 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.712 -0.206 1.864 1.00 0.00 H new ATOM 499 N SER A 32 6.802 -3.688 8.241 1.00 0.00 N ATOM 500 CA SER A 32 7.586 -3.985 9.439 1.00 0.00 C ATOM 501 C SER A 32 9.061 -3.609 9.249 1.00 0.00 C ATOM 502 O SER A 32 9.952 -4.267 9.794 1.00 0.00 O ATOM 503 CB SER A 32 7.476 -5.484 9.748 1.00 0.00 C ATOM 504 OG SER A 32 7.993 -5.782 11.033 1.00 0.00 O ATOM 0 H SER A 32 7.235 -3.989 7.368 1.00 0.00 H new ATOM 0 HA SER A 32 7.191 -3.395 10.266 1.00 0.00 H new ATOM 0 HB2 SER A 32 6.432 -5.794 9.692 1.00 0.00 H new ATOM 0 HB3 SER A 32 8.018 -6.054 8.994 1.00 0.00 H new ATOM 0 HG SER A 32 8.875 -5.368 11.135 1.00 0.00 H new ATOM 510 N SER A 33 9.321 -2.542 8.487 1.00 0.00 N ATOM 511 CA SER A 33 10.692 -2.096 8.239 1.00 0.00 C ATOM 512 C SER A 33 10.730 -0.674 7.677 1.00 0.00 C ATOM 513 O SER A 33 9.885 -0.297 6.861 1.00 0.00 O ATOM 514 CB SER A 33 11.399 -3.059 7.281 1.00 0.00 C ATOM 515 OG SER A 33 12.690 -2.586 6.935 1.00 0.00 O ATOM 0 H SER A 33 8.604 -1.975 8.035 1.00 0.00 H new ATOM 0 HA SER A 33 11.215 -2.091 9.195 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.482 -4.042 7.745 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.800 -3.182 6.378 1.00 0.00 H new ATOM 0 HG SER A 33 13.118 -3.221 6.324 1.00 0.00 H new ATOM 521 N ARG A 34 11.717 0.112 8.120 1.00 0.00 N ATOM 522 CA ARG A 34 11.873 1.489 7.653 1.00 0.00 C ATOM 523 C ARG A 34 12.248 1.512 6.174 1.00 0.00 C ATOM 524 O ARG A 34 11.575 2.155 5.366 1.00 0.00 O ATOM 525 CB ARG A 34 12.938 2.220 8.478 1.00 0.00 C ATOM 526 CG ARG A 34 12.981 3.721 8.227 1.00 0.00 C ATOM 527 CD ARG A 34 13.875 4.434 9.231 1.00 0.00 C ATOM 528 NE ARG A 34 15.280 4.044 9.099 1.00 0.00 N ATOM 529 CZ ARG A 34 16.219 4.310 10.011 1.00 0.00 C ATOM 530 NH1 ARG A 34 15.910 4.961 11.130 1.00 0.00 N ATOM 531 NH2 ARG A 34 17.472 3.922 9.803 1.00 0.00 N ATOM 0 H ARG A 34 12.417 -0.183 8.800 1.00 0.00 H new ATOM 0 HA ARG A 34 10.920 2.003 7.781 1.00 0.00 H new ATOM 0 HB2 ARG A 34 12.750 2.043 9.537 1.00 0.00 H new ATOM 0 HB3 ARG A 34 13.916 1.794 8.252 1.00 0.00 H new ATOM 0 HG2 ARG A 34 13.344 3.911 7.217 1.00 0.00 H new ATOM 0 HG3 ARG A 34 11.972 4.129 8.285 1.00 0.00 H new ATOM 0 HD2 ARG A 34 13.785 5.512 9.093 1.00 0.00 H new ATOM 0 HD3 ARG A 34 13.532 4.212 10.242 1.00 0.00 H new ATOM 0 HE ARG A 34 15.559 3.538 8.259 1.00 0.00 H new ATOM 0 HH11 ARG A 34 14.950 5.261 11.297 1.00 0.00 H new ATOM 0 HH12 ARG A 34 16.634 5.160 11.821 1.00 0.00 H new ATOM 0 HH21 ARG A 34 17.716 3.422 8.948 1.00 0.00 H new ATOM 0 HH22 ARG A 34 18.191 4.124 10.498 1.00 0.00 H new ATOM 545 N GLY A 35 13.328 0.805 5.826 1.00 0.00 N ATOM 546 CA GLY A 35 13.763 0.737 4.441 1.00 0.00 C ATOM 547 C GLY A 35 12.694 0.148 3.538 1.00 0.00 C ATOM 548 O GLY A 35 12.557 0.552 2.382 1.00 0.00 O ATOM 0 H GLY A 35 13.907 0.280 6.481 1.00 0.00 H new ATOM 0 HA2 GLY A 35 14.021 1.737 4.093 1.00 0.00 H new ATOM 0 HA3 GLY A 35 14.668 0.132 4.374 1.00 0.00 H new ATOM 552 N GLU A 36 11.938 -0.816 4.072 1.00 0.00 N ATOM 553 CA GLU A 36 10.852 -1.452 3.332 1.00 0.00 C ATOM 554 C GLU A 36 9.815 -0.405 2.930 1.00 0.00 C ATOM 555 O GLU A 36 9.331 -0.398 1.797 1.00 0.00 O ATOM 556 CB GLU A 36 10.204 -2.537 4.195 1.00 0.00 C ATOM 557 CG GLU A 36 9.033 -3.245 3.537 1.00 0.00 C ATOM 558 CD GLU A 36 8.383 -4.248 4.468 1.00 0.00 C ATOM 559 OE1 GLU A 36 7.589 -3.824 5.335 1.00 0.00 O ATOM 560 OE2 GLU A 36 8.673 -5.455 4.338 1.00 0.00 O ATOM 0 H GLU A 36 12.062 -1.172 5.020 1.00 0.00 H new ATOM 0 HA GLU A 36 11.253 -1.913 2.429 1.00 0.00 H new ATOM 0 HB2 GLU A 36 10.961 -3.277 4.456 1.00 0.00 H new ATOM 0 HB3 GLU A 36 9.864 -2.087 5.128 1.00 0.00 H new ATOM 0 HG2 GLU A 36 8.293 -2.508 3.224 1.00 0.00 H new ATOM 0 HG3 GLU A 36 9.376 -3.755 2.637 1.00 0.00 H new ATOM 567 N PHE A 37 9.486 0.479 3.877 1.00 0.00 N ATOM 568 CA PHE A 37 8.530 1.558 3.642 1.00 0.00 C ATOM 569 C PHE A 37 9.000 2.434 2.478 1.00 0.00 C ATOM 570 O PHE A 37 8.196 2.879 1.658 1.00 0.00 O ATOM 571 CB PHE A 37 8.377 2.401 4.915 1.00 0.00 C ATOM 572 CG PHE A 37 7.216 3.353 4.891 1.00 0.00 C ATOM 573 CD1 PHE A 37 7.349 4.615 4.337 1.00 0.00 C ATOM 574 CD2 PHE A 37 5.995 2.987 5.433 1.00 0.00 C ATOM 575 CE1 PHE A 37 6.285 5.495 4.324 1.00 0.00 C ATOM 576 CE2 PHE A 37 4.927 3.862 5.421 1.00 0.00 C ATOM 577 CZ PHE A 37 5.072 5.118 4.867 1.00 0.00 C ATOM 0 H PHE A 37 9.873 0.465 4.820 1.00 0.00 H new ATOM 0 HA PHE A 37 7.562 1.128 3.384 1.00 0.00 H new ATOM 0 HB2 PHE A 37 8.265 1.732 5.768 1.00 0.00 H new ATOM 0 HB3 PHE A 37 9.294 2.969 5.073 1.00 0.00 H new ATOM 0 HD1 PHE A 37 8.295 4.914 3.911 1.00 0.00 H new ATOM 0 HD2 PHE A 37 5.877 2.006 5.870 1.00 0.00 H new ATOM 0 HE1 PHE A 37 6.401 6.477 3.890 1.00 0.00 H new ATOM 0 HE2 PHE A 37 3.979 3.564 5.845 1.00 0.00 H new ATOM 0 HZ PHE A 37 4.239 5.805 4.858 1.00 0.00 H new ATOM 587 N ILE A 38 10.307 2.698 2.431 1.00 0.00 N ATOM 588 CA ILE A 38 10.900 3.494 1.360 1.00 0.00 C ATOM 589 C ILE A 38 10.646 2.869 -0.014 1.00 0.00 C ATOM 590 O ILE A 38 10.151 3.543 -0.919 1.00 0.00 O ATOM 591 CB ILE A 38 12.424 3.661 1.567 1.00 0.00 C ATOM 592 CG1 ILE A 38 12.705 4.368 2.899 1.00 0.00 C ATOM 593 CG2 ILE A 38 13.044 4.437 0.411 1.00 0.00 C ATOM 594 CD1 ILE A 38 11.993 5.697 3.048 1.00 0.00 C ATOM 0 H ILE A 38 10.976 2.369 3.127 1.00 0.00 H new ATOM 0 HA ILE A 38 10.422 4.473 1.395 1.00 0.00 H new ATOM 0 HB ILE A 38 12.878 2.670 1.595 1.00 0.00 H new ATOM 0 HG12 ILE A 38 12.407 3.713 3.717 1.00 0.00 H new ATOM 0 HG13 ILE A 38 13.779 4.529 2.995 1.00 0.00 H new ATOM 0 HG21 ILE A 38 14.116 4.543 0.577 1.00 0.00 H new ATOM 0 HG22 ILE A 38 12.873 3.899 -0.522 1.00 0.00 H new ATOM 0 HG23 ILE A 38 12.587 5.425 0.349 1.00 0.00 H new ATOM 0 HD11 ILE A 38 12.241 6.136 4.014 1.00 0.00 H new ATOM 0 HD12 ILE A 38 12.309 6.371 2.252 1.00 0.00 H new ATOM 0 HD13 ILE A 38 10.916 5.542 2.985 1.00 0.00 H new ATOM 606 N SER A 39 10.988 1.580 -0.166 1.00 0.00 N ATOM 607 CA SER A 39 10.800 0.887 -1.445 1.00 0.00 C ATOM 608 C SER A 39 9.341 0.974 -1.887 1.00 0.00 C ATOM 609 O SER A 39 9.044 1.597 -2.908 1.00 0.00 O ATOM 610 CB SER A 39 11.249 -0.574 -1.343 1.00 0.00 C ATOM 611 OG SER A 39 11.119 -1.240 -2.587 1.00 0.00 O ATOM 0 H SER A 39 11.391 1.004 0.573 1.00 0.00 H new ATOM 0 HA SER A 39 11.418 1.378 -2.196 1.00 0.00 H new ATOM 0 HB2 SER A 39 12.287 -0.616 -1.012 1.00 0.00 H new ATOM 0 HB3 SER A 39 10.653 -1.088 -0.589 1.00 0.00 H new ATOM 0 HG SER A 39 11.414 -2.170 -2.493 1.00 0.00 H new ATOM 617 N VAL A 40 8.445 0.318 -1.134 1.00 0.00 N ATOM 618 CA VAL A 40 7.011 0.289 -1.452 1.00 0.00 C ATOM 619 C VAL A 40 6.493 1.574 -2.100 1.00 0.00 C ATOM 620 O VAL A 40 5.640 1.507 -2.987 1.00 0.00 O ATOM 621 CB VAL A 40 6.144 -0.044 -0.215 1.00 0.00 C ATOM 622 CG1 VAL A 40 6.415 -1.463 0.264 1.00 0.00 C ATOM 623 CG2 VAL A 40 6.380 0.954 0.906 1.00 0.00 C ATOM 0 H VAL A 40 8.693 -0.204 -0.293 1.00 0.00 H new ATOM 0 HA VAL A 40 6.916 -0.510 -2.187 1.00 0.00 H new ATOM 0 HB VAL A 40 5.097 0.026 -0.511 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.795 -1.678 1.135 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.177 -2.168 -0.533 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.466 -1.561 0.534 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.757 0.694 1.762 1.00 0.00 H new ATOM 0 HG22 VAL A 40 7.429 0.929 1.200 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.123 1.956 0.561 1.00 0.00 H new ATOM 633 N GLY A 41 6.989 2.738 -1.671 1.00 0.00 N ATOM 634 CA GLY A 41 6.537 3.992 -2.251 1.00 0.00 C ATOM 635 C GLY A 41 6.096 4.987 -1.191 1.00 0.00 C ATOM 636 O GLY A 41 5.085 5.671 -1.363 1.00 0.00 O ATOM 0 H GLY A 41 7.691 2.832 -0.937 1.00 0.00 H new ATOM 0 HA2 GLY A 41 7.342 4.427 -2.844 1.00 0.00 H new ATOM 0 HA3 GLY A 41 5.708 3.798 -2.932 1.00 0.00 H new ATOM 640 N GLY A 42 6.862 5.078 -0.097 1.00 0.00 N ATOM 641 CA GLY A 42 6.516 5.985 0.983 1.00 0.00 C ATOM 642 C GLY A 42 7.594 7.011 1.272 1.00 0.00 C ATOM 643 O GLY A 42 8.562 6.723 1.980 1.00 0.00 O ATOM 0 H GLY A 42 7.714 4.538 0.055 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.590 6.502 0.732 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.323 5.407 1.886 1.00 0.00 H new ATOM 647 N ASP A 43 7.425 8.209 0.718 1.00 0.00 N ATOM 648 CA ASP A 43 8.347 9.313 0.974 1.00 0.00 C ATOM 649 C ASP A 43 7.909 10.013 2.261 1.00 0.00 C ATOM 650 O ASP A 43 8.517 9.815 3.315 1.00 0.00 O ATOM 651 CB ASP A 43 8.361 10.295 -0.204 1.00 0.00 C ATOM 652 CG ASP A 43 8.935 9.680 -1.465 1.00 0.00 C ATOM 653 OD1 ASP A 43 8.156 9.094 -2.247 1.00 0.00 O ATOM 654 OD2 ASP A 43 10.163 9.785 -1.673 1.00 0.00 O ATOM 0 H ASP A 43 6.657 8.440 0.088 1.00 0.00 H new ATOM 0 HA ASP A 43 9.361 8.931 1.088 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.345 10.637 -0.400 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.946 11.174 0.067 1.00 0.00 H new ATOM 659 N GLY A 44 6.855 10.828 2.176 1.00 0.00 N ATOM 660 CA GLY A 44 6.367 11.538 3.347 1.00 0.00 C ATOM 661 C GLY A 44 4.958 12.061 3.164 1.00 0.00 C ATOM 662 O GLY A 44 4.026 11.591 3.816 1.00 0.00 O ATOM 0 H GLY A 44 6.333 11.007 1.318 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.394 10.872 4.209 1.00 0.00 H new ATOM 0 HA3 GLY A 44 7.034 12.371 3.567 1.00 0.00 H new ATOM 666 N ARG A 45 4.801 13.039 2.276 1.00 0.00 N ATOM 667 CA ARG A 45 3.493 13.624 2.008 1.00 0.00 C ATOM 668 C ARG A 45 2.755 12.816 0.945 1.00 0.00 C ATOM 669 O ARG A 45 2.869 13.090 -0.253 1.00 0.00 O ATOM 670 CB ARG A 45 3.638 15.084 1.561 1.00 0.00 C ATOM 671 CG ARG A 45 4.565 15.906 2.445 1.00 0.00 C ATOM 672 CD ARG A 45 4.065 15.973 3.882 1.00 0.00 C ATOM 673 NE ARG A 45 4.963 16.745 4.740 1.00 0.00 N ATOM 674 CZ ARG A 45 4.900 16.756 6.073 1.00 0.00 C ATOM 675 NH1 ARG A 45 3.982 16.036 6.714 1.00 0.00 N ATOM 676 NH2 ARG A 45 5.760 17.492 6.770 1.00 0.00 N ATOM 0 H ARG A 45 5.563 13.442 1.731 1.00 0.00 H new ATOM 0 HA ARG A 45 2.911 13.600 2.929 1.00 0.00 H new ATOM 0 HB2 ARG A 45 4.013 15.106 0.538 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.653 15.551 1.550 1.00 0.00 H new ATOM 0 HG2 ARG A 45 5.564 15.470 2.428 1.00 0.00 H new ATOM 0 HG3 ARG A 45 4.650 16.915 2.043 1.00 0.00 H new ATOM 0 HD2 ARG A 45 3.072 16.422 3.900 1.00 0.00 H new ATOM 0 HD3 ARG A 45 3.965 14.963 4.278 1.00 0.00 H new ATOM 0 HE ARG A 45 5.683 17.311 4.291 1.00 0.00 H new ATOM 0 HH11 ARG A 45 3.318 15.469 6.186 1.00 0.00 H new ATOM 0 HH12 ARG A 45 3.942 16.051 7.733 1.00 0.00 H new ATOM 0 HH21 ARG A 45 6.466 18.047 6.286 1.00 0.00 H new ATOM 0 HH22 ARG A 45 5.714 17.502 7.789 1.00 0.00 H new ATOM 690 N MET A 46 2.005 11.808 1.392 1.00 0.00 N ATOM 691 CA MET A 46 1.249 10.951 0.481 1.00 0.00 C ATOM 692 C MET A 46 -0.123 11.555 0.181 1.00 0.00 C ATOM 693 O MET A 46 -0.555 12.500 0.845 1.00 0.00 O ATOM 694 CB MET A 46 1.093 9.549 1.075 1.00 0.00 C ATOM 695 CG MET A 46 0.929 8.459 0.026 1.00 0.00 C ATOM 696 SD MET A 46 2.320 7.311 -0.006 1.00 0.00 S ATOM 697 CE MET A 46 3.656 8.412 -0.465 1.00 0.00 C ATOM 0 H MET A 46 1.906 11.566 2.378 1.00 0.00 H new ATOM 0 HA MET A 46 1.803 10.876 -0.455 1.00 0.00 H new ATOM 0 HB2 MET A 46 1.966 9.324 1.688 1.00 0.00 H new ATOM 0 HB3 MET A 46 0.227 9.538 1.737 1.00 0.00 H new ATOM 0 HG2 MET A 46 0.011 7.906 0.223 1.00 0.00 H new ATOM 0 HG3 MET A 46 0.820 8.919 -0.956 1.00 0.00 H new ATOM 0 HE1 MET A 46 4.286 7.928 -1.212 1.00 0.00 H new ATOM 0 HE2 MET A 46 3.243 9.332 -0.879 1.00 0.00 H new ATOM 0 HE3 MET A 46 4.253 8.646 0.416 1.00 0.00 H new ATOM 707 N SER A 47 -0.807 11.000 -0.819 1.00 0.00 N ATOM 708 CA SER A 47 -2.121 11.492 -1.213 1.00 0.00 C ATOM 709 C SER A 47 -3.252 10.783 -0.467 1.00 0.00 C ATOM 710 O SER A 47 -3.824 11.328 0.479 1.00 0.00 O ATOM 711 CB SER A 47 -2.310 11.334 -2.726 1.00 0.00 C ATOM 712 OG SER A 47 -1.578 12.316 -3.439 1.00 0.00 O ATOM 0 H SER A 47 -0.471 10.210 -1.369 1.00 0.00 H new ATOM 0 HA SER A 47 -2.166 12.548 -0.946 1.00 0.00 H new ATOM 0 HB2 SER A 47 -1.986 10.340 -3.034 1.00 0.00 H new ATOM 0 HB3 SER A 47 -3.368 11.415 -2.973 1.00 0.00 H new ATOM 0 HG SER A 47 -0.792 11.902 -3.852 1.00 0.00 H new ATOM 718 N HIS A 48 -3.558 9.562 -0.903 1.00 0.00 N ATOM 719 CA HIS A 48 -4.646 8.763 -0.344 1.00 0.00 C ATOM 720 C HIS A 48 -4.647 7.368 -0.966 1.00 0.00 C ATOM 721 O HIS A 48 -4.422 6.380 -0.264 1.00 0.00 O ATOM 722 CB HIS A 48 -5.985 9.459 -0.620 1.00 0.00 C ATOM 723 CG HIS A 48 -7.183 8.675 -0.172 1.00 0.00 C ATOM 724 ND1 HIS A 48 -7.812 8.889 1.037 1.00 0.00 N ATOM 725 CD2 HIS A 48 -7.868 7.675 -0.779 1.00 0.00 C ATOM 726 CE1 HIS A 48 -8.830 8.055 1.155 1.00 0.00 C ATOM 727 NE2 HIS A 48 -8.884 7.309 0.068 1.00 0.00 N ATOM 0 H HIS A 48 -3.055 9.097 -1.659 1.00 0.00 H new ATOM 0 HA HIS A 48 -4.503 8.666 0.732 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -5.989 10.427 -0.120 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -6.069 9.652 -1.689 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -7.654 7.247 -1.747 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -9.503 7.994 1.997 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -9.571 6.577 -0.114 1.00 0.00 H new ATOM 736 N LYS A 49 -4.896 7.280 -2.271 1.00 0.00 N ATOM 737 CA LYS A 49 -4.870 5.995 -2.964 1.00 0.00 C ATOM 738 C LYS A 49 -3.441 5.451 -3.029 1.00 0.00 C ATOM 739 O LYS A 49 -3.233 4.238 -3.090 1.00 0.00 O ATOM 740 CB LYS A 49 -5.435 6.146 -4.377 1.00 0.00 C ATOM 741 CG LYS A 49 -6.950 6.043 -4.443 1.00 0.00 C ATOM 742 CD LYS A 49 -7.434 4.660 -4.031 1.00 0.00 C ATOM 743 CE LYS A 49 -8.953 4.568 -4.039 1.00 0.00 C ATOM 744 NZ LYS A 49 -9.515 4.672 -5.416 1.00 0.00 N ATOM 0 H LYS A 49 -5.117 8.078 -2.866 1.00 0.00 H new ATOM 0 HA LYS A 49 -5.488 5.290 -2.408 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -5.127 7.111 -4.781 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -4.999 5.379 -5.017 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -7.395 6.795 -3.791 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -7.287 6.260 -5.457 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -7.021 3.913 -4.709 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -7.061 4.426 -3.034 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -9.261 3.622 -3.593 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -9.367 5.363 -3.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -10.546 4.537 -5.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -9.302 5.612 -5.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -9.090 3.940 -6.021 1.00 0.00 H new ATOM 758 N GLU A 50 -2.463 6.359 -3.016 1.00 0.00 N ATOM 759 CA GLU A 50 -1.052 5.991 -3.077 1.00 0.00 C ATOM 760 C GLU A 50 -0.617 5.202 -1.842 1.00 0.00 C ATOM 761 O GLU A 50 -0.070 4.107 -1.965 1.00 0.00 O ATOM 762 CB GLU A 50 -0.189 7.250 -3.211 1.00 0.00 C ATOM 763 CG GLU A 50 -0.337 7.957 -4.548 1.00 0.00 C ATOM 764 CD GLU A 50 0.648 9.099 -4.713 1.00 0.00 C ATOM 765 OE1 GLU A 50 0.365 10.205 -4.206 1.00 0.00 O ATOM 766 OE2 GLU A 50 1.702 8.888 -5.347 1.00 0.00 O ATOM 0 H GLU A 50 -2.628 7.364 -2.963 1.00 0.00 H new ATOM 0 HA GLU A 50 -0.916 5.352 -3.950 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -0.450 7.945 -2.413 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.857 6.979 -3.068 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -0.192 7.237 -5.354 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -1.353 8.341 -4.642 1.00 0.00 H new ATOM 773 N ALA A 51 -0.877 5.763 -0.653 1.00 0.00 N ATOM 774 CA ALA A 51 -0.492 5.127 0.610 1.00 0.00 C ATOM 775 C ALA A 51 -0.897 3.657 0.647 1.00 0.00 C ATOM 776 O ALA A 51 -0.041 2.793 0.842 1.00 0.00 O ATOM 777 CB ALA A 51 -1.089 5.879 1.792 1.00 0.00 C ATOM 0 H ALA A 51 -1.353 6.658 -0.542 1.00 0.00 H new ATOM 0 HA ALA A 51 0.595 5.170 0.682 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.792 5.392 2.721 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.727 6.907 1.790 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.176 5.877 1.713 1.00 0.00 H new ATOM 783 N ILE A 52 -2.186 3.359 0.468 1.00 0.00 N ATOM 784 CA ILE A 52 -2.632 1.967 0.521 1.00 0.00 C ATOM 785 C ILE A 52 -1.891 1.137 -0.529 1.00 0.00 C ATOM 786 O ILE A 52 -1.406 0.045 -0.228 1.00 0.00 O ATOM 787 CB ILE A 52 -4.159 1.832 0.345 1.00 0.00 C ATOM 788 CG1 ILE A 52 -4.892 2.597 1.453 1.00 0.00 C ATOM 789 CG2 ILE A 52 -4.574 0.367 0.338 1.00 0.00 C ATOM 790 CD1 ILE A 52 -4.664 2.036 2.842 1.00 0.00 C ATOM 0 H ILE A 52 -2.921 4.043 0.290 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.394 1.585 1.514 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.435 2.266 -0.616 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.571 3.638 1.435 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.961 2.590 1.240 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.654 0.295 0.213 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.078 -0.148 -0.485 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.287 -0.097 1.281 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -5.215 2.631 3.570 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.012 1.004 2.879 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.600 2.069 3.078 1.00 0.00 H new ATOM 802 N LEU A 53 -1.818 1.655 -1.757 1.00 0.00 N ATOM 803 CA LEU A 53 -1.202 0.925 -2.868 1.00 0.00 C ATOM 804 C LEU A 53 0.196 0.386 -2.537 1.00 0.00 C ATOM 805 O LEU A 53 0.613 -0.629 -3.099 1.00 0.00 O ATOM 806 CB LEU A 53 -1.182 1.783 -4.134 1.00 0.00 C ATOM 807 CG LEU A 53 -0.733 1.072 -5.413 1.00 0.00 C ATOM 808 CD1 LEU A 53 -1.708 -0.034 -5.783 1.00 0.00 C ATOM 809 CD2 LEU A 53 -0.603 2.069 -6.554 1.00 0.00 C ATOM 0 H LEU A 53 -2.177 2.576 -2.007 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.825 0.049 -3.049 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.183 2.183 -4.295 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.523 2.634 -3.963 1.00 0.00 H new ATOM 0 HG LEU A 53 0.243 0.621 -5.231 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.370 -0.527 -6.695 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.756 -0.762 -4.974 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.698 0.393 -5.946 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.283 1.549 -7.457 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.567 2.546 -6.732 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.134 2.828 -6.292 1.00 0.00 H new ATOM 821 N LEU A 54 0.919 1.061 -1.636 1.00 0.00 N ATOM 822 CA LEU A 54 2.256 0.618 -1.227 1.00 0.00 C ATOM 823 C LEU A 54 2.264 -0.866 -0.829 1.00 0.00 C ATOM 824 O LEU A 54 3.266 -1.558 -1.019 1.00 0.00 O ATOM 825 CB LEU A 54 2.753 1.461 -0.048 1.00 0.00 C ATOM 826 CG LEU A 54 3.511 2.741 -0.409 1.00 0.00 C ATOM 827 CD1 LEU A 54 2.638 3.675 -1.228 1.00 0.00 C ATOM 828 CD2 LEU A 54 3.994 3.438 0.854 1.00 0.00 C ATOM 0 H LEU A 54 0.601 1.915 -1.177 1.00 0.00 H new ATOM 0 HA LEU A 54 2.920 0.748 -2.082 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.894 1.732 0.566 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.403 0.840 0.569 1.00 0.00 H new ATOM 0 HG LEU A 54 4.376 2.469 -1.014 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.199 4.577 -1.472 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.335 3.176 -2.149 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.752 3.943 -0.652 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.532 4.347 0.585 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.138 3.694 1.478 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.659 2.773 1.405 1.00 0.00 H new ATOM 840 N GLY A 55 1.142 -1.336 -0.268 1.00 0.00 N ATOM 841 CA GLY A 55 1.024 -2.723 0.163 1.00 0.00 C ATOM 842 C GLY A 55 1.455 -3.734 -0.884 1.00 0.00 C ATOM 843 O GLY A 55 2.147 -4.698 -0.561 1.00 0.00 O ATOM 0 H GLY A 55 0.308 -0.772 -0.105 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.626 -2.866 1.061 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -0.012 -2.920 0.439 1.00 0.00 H new ATOM 847 N LEU A 56 1.029 -3.533 -2.135 1.00 0.00 N ATOM 848 CA LEU A 56 1.382 -4.451 -3.224 1.00 0.00 C ATOM 849 C LEU A 56 2.881 -4.751 -3.235 1.00 0.00 C ATOM 850 O LEU A 56 3.284 -5.910 -3.333 1.00 0.00 O ATOM 851 CB LEU A 56 0.961 -3.884 -4.582 1.00 0.00 C ATOM 852 CG LEU A 56 -0.481 -3.376 -4.671 1.00 0.00 C ATOM 853 CD1 LEU A 56 -0.850 -3.077 -6.117 1.00 0.00 C ATOM 854 CD2 LEU A 56 -1.445 -4.385 -4.061 1.00 0.00 C ATOM 0 H LEU A 56 0.443 -2.748 -2.418 1.00 0.00 H new ATOM 0 HA LEU A 56 0.841 -5.381 -3.047 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.632 -3.064 -4.837 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.102 -4.657 -5.337 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.558 -2.450 -4.101 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.878 -2.717 -6.163 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.180 -2.314 -6.513 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.757 -3.986 -6.712 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.464 -4.005 -4.134 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.371 -5.330 -4.599 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.191 -4.543 -3.013 1.00 0.00 H new ATOM 866 N ARG A 57 3.699 -3.702 -3.136 1.00 0.00 N ATOM 867 CA ARG A 57 5.154 -3.859 -3.126 1.00 0.00 C ATOM 868 C ARG A 57 5.606 -4.721 -1.944 1.00 0.00 C ATOM 869 O ARG A 57 6.564 -5.486 -2.056 1.00 0.00 O ATOM 870 CB ARG A 57 5.834 -2.489 -3.068 1.00 0.00 C ATOM 871 CG ARG A 57 5.646 -1.661 -4.330 1.00 0.00 C ATOM 872 CD ARG A 57 6.498 -2.183 -5.475 1.00 0.00 C ATOM 873 NE ARG A 57 7.927 -2.004 -5.219 1.00 0.00 N ATOM 874 CZ ARG A 57 8.590 -0.863 -5.432 1.00 0.00 C ATOM 875 NH1 ARG A 57 7.957 0.209 -5.908 1.00 0.00 N ATOM 876 NH2 ARG A 57 9.889 -0.791 -5.163 1.00 0.00 N ATOM 0 H ARG A 57 3.379 -2.736 -3.062 1.00 0.00 H new ATOM 0 HA ARG A 57 5.446 -4.363 -4.047 1.00 0.00 H new ATOM 0 HB2 ARG A 57 5.440 -1.933 -2.217 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.900 -2.629 -2.891 1.00 0.00 H new ATOM 0 HG2 ARG A 57 4.596 -1.675 -4.622 1.00 0.00 H new ATOM 0 HG3 ARG A 57 5.906 -0.622 -4.126 1.00 0.00 H new ATOM 0 HD2 ARG A 57 6.287 -3.241 -5.631 1.00 0.00 H new ATOM 0 HD3 ARG A 57 6.227 -1.665 -6.395 1.00 0.00 H new ATOM 0 HE ARG A 57 8.451 -2.800 -4.855 1.00 0.00 H new ATOM 0 HH11 ARG A 57 6.959 0.163 -6.113 1.00 0.00 H new ATOM 0 HH12 ARG A 57 8.471 1.076 -6.068 1.00 0.00 H new ATOM 0 HH21 ARG A 57 10.379 -1.606 -4.794 1.00 0.00 H new ATOM 0 HH22 ARG A 57 10.396 0.079 -5.325 1.00 0.00 H new ATOM 890 N TYR A 58 4.906 -4.591 -0.814 1.00 0.00 N ATOM 891 CA TYR A 58 5.215 -5.368 0.387 1.00 0.00 C ATOM 892 C TYR A 58 4.987 -6.860 0.144 1.00 0.00 C ATOM 893 O TYR A 58 5.850 -7.690 0.436 1.00 0.00 O ATOM 894 CB TYR A 58 4.344 -4.896 1.555 1.00 0.00 C ATOM 895 CG TYR A 58 4.469 -5.746 2.802 1.00 0.00 C ATOM 896 CD1 TYR A 58 5.505 -5.543 3.701 1.00 0.00 C ATOM 897 CD2 TYR A 58 3.548 -6.749 3.076 1.00 0.00 C ATOM 898 CE1 TYR A 58 5.621 -6.314 4.841 1.00 0.00 C ATOM 899 CE2 TYR A 58 3.656 -7.525 4.215 1.00 0.00 C ATOM 900 CZ TYR A 58 4.694 -7.303 5.094 1.00 0.00 C ATOM 901 OH TYR A 58 4.807 -8.072 6.230 1.00 0.00 O ATOM 0 H TYR A 58 4.118 -3.952 -0.707 1.00 0.00 H new ATOM 0 HA TYR A 58 6.266 -5.213 0.632 1.00 0.00 H new ATOM 0 HB2 TYR A 58 4.610 -3.868 1.801 1.00 0.00 H new ATOM 0 HB3 TYR A 58 3.302 -4.888 1.237 1.00 0.00 H new ATOM 0 HD1 TYR A 58 6.233 -4.769 3.507 1.00 0.00 H new ATOM 0 HD2 TYR A 58 2.734 -6.925 2.388 1.00 0.00 H new ATOM 0 HE1 TYR A 58 6.434 -6.143 5.531 1.00 0.00 H new ATOM 0 HE2 TYR A 58 2.931 -8.300 4.415 1.00 0.00 H new ATOM 0 HH TYR A 58 4.074 -8.722 6.259 1.00 0.00 H new ATOM 911 N LYS A 59 3.810 -7.182 -0.396 1.00 0.00 N ATOM 912 CA LYS A 59 3.429 -8.562 -0.689 1.00 0.00 C ATOM 913 C LYS A 59 4.062 -9.081 -1.986 1.00 0.00 C ATOM 914 O LYS A 59 3.894 -10.253 -2.330 1.00 0.00 O ATOM 915 CB LYS A 59 1.905 -8.660 -0.789 1.00 0.00 C ATOM 916 CG LYS A 59 1.187 -8.377 0.521 1.00 0.00 C ATOM 917 CD LYS A 59 1.426 -9.481 1.539 1.00 0.00 C ATOM 918 CE LYS A 59 0.729 -9.187 2.858 1.00 0.00 C ATOM 919 NZ LYS A 59 0.925 -10.281 3.849 1.00 0.00 N ATOM 0 H LYS A 59 3.097 -6.495 -0.641 1.00 0.00 H new ATOM 0 HA LYS A 59 3.799 -9.184 0.126 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.553 -7.958 -1.545 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.636 -9.659 -1.132 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.531 -7.426 0.927 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.117 -8.277 0.336 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.065 -10.429 1.140 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.497 -9.594 1.710 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.111 -8.253 3.269 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -0.337 -9.045 2.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.434 -10.040 4.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.538 -11.168 3.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.941 -10.400 4.038 1.00 0.00 H new ATOM 933 N LYS A 60 4.783 -8.211 -2.706 1.00 0.00 N ATOM 934 CA LYS A 60 5.434 -8.591 -3.961 1.00 0.00 C ATOM 935 C LYS A 60 4.398 -8.992 -5.014 1.00 0.00 C ATOM 936 O LYS A 60 4.328 -10.152 -5.426 1.00 0.00 O ATOM 937 CB LYS A 60 6.432 -9.736 -3.730 1.00 0.00 C ATOM 938 CG LYS A 60 7.550 -9.396 -2.753 1.00 0.00 C ATOM 939 CD LYS A 60 8.743 -8.760 -3.453 1.00 0.00 C ATOM 940 CE LYS A 60 8.452 -7.331 -3.887 1.00 0.00 C ATOM 941 NZ LYS A 60 9.653 -6.670 -4.468 1.00 0.00 N ATOM 0 H LYS A 60 4.929 -7.238 -2.438 1.00 0.00 H new ATOM 0 HA LYS A 60 5.981 -7.724 -4.332 1.00 0.00 H new ATOM 0 HB2 LYS A 60 5.891 -10.606 -3.358 1.00 0.00 H new ATOM 0 HB3 LYS A 60 6.872 -10.019 -4.686 1.00 0.00 H new ATOM 0 HG2 LYS A 60 7.171 -8.715 -1.991 1.00 0.00 H new ATOM 0 HG3 LYS A 60 7.871 -10.302 -2.240 1.00 0.00 H new ATOM 0 HD2 LYS A 60 9.603 -8.768 -2.783 1.00 0.00 H new ATOM 0 HD3 LYS A 60 9.012 -9.356 -4.325 1.00 0.00 H new ATOM 0 HE2 LYS A 60 7.647 -7.332 -4.622 1.00 0.00 H new ATOM 0 HE3 LYS A 60 8.100 -6.756 -3.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 9.412 -5.699 -4.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 10.413 -6.646 -3.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 9.974 -7.203 -5.301 1.00 0.00 H new ATOM 955 N LEU A 61 3.589 -8.019 -5.438 1.00 0.00 N ATOM 956 CA LEU A 61 2.556 -8.263 -6.448 1.00 0.00 C ATOM 957 C LEU A 61 1.979 -6.955 -7.009 1.00 0.00 C ATOM 958 O LEU A 61 0.827 -6.919 -7.439 1.00 0.00 O ATOM 959 CB LEU A 61 1.436 -9.136 -5.861 1.00 0.00 C ATOM 960 CG LEU A 61 1.119 -8.900 -4.377 1.00 0.00 C ATOM 961 CD1 LEU A 61 0.572 -7.501 -4.152 1.00 0.00 C ATOM 962 CD2 LEU A 61 0.135 -9.943 -3.872 1.00 0.00 C ATOM 0 H LEU A 61 3.628 -7.058 -5.099 1.00 0.00 H new ATOM 0 HA LEU A 61 3.025 -8.792 -7.278 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.528 -8.967 -6.439 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.709 -10.183 -5.994 1.00 0.00 H new ATOM 0 HG LEU A 61 2.047 -8.994 -3.814 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.356 -7.361 -3.093 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.310 -6.766 -4.472 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.343 -7.371 -4.729 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.079 -9.761 -2.819 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.789 -9.879 -4.446 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.567 -10.937 -3.988 1.00 0.00 H new ATOM 974 N TYR A 62 2.789 -5.894 -7.033 1.00 0.00 N ATOM 975 CA TYR A 62 2.351 -4.593 -7.551 1.00 0.00 C ATOM 976 C TYR A 62 1.935 -4.660 -9.031 1.00 0.00 C ATOM 977 O TYR A 62 1.300 -3.733 -9.538 1.00 0.00 O ATOM 978 CB TYR A 62 3.474 -3.565 -7.364 1.00 0.00 C ATOM 979 CG TYR A 62 3.121 -2.165 -7.817 1.00 0.00 C ATOM 980 CD1 TYR A 62 2.299 -1.351 -7.049 1.00 0.00 C ATOM 981 CD2 TYR A 62 3.618 -1.657 -9.011 1.00 0.00 C ATOM 982 CE1 TYR A 62 1.981 -0.070 -7.458 1.00 0.00 C ATOM 983 CE2 TYR A 62 3.304 -0.378 -9.427 1.00 0.00 C ATOM 984 CZ TYR A 62 2.486 0.412 -8.647 1.00 0.00 C ATOM 985 OH TYR A 62 2.171 1.690 -9.055 1.00 0.00 O ATOM 0 H TYR A 62 3.753 -5.909 -6.700 1.00 0.00 H new ATOM 0 HA TYR A 62 1.469 -4.291 -6.986 1.00 0.00 H new ATOM 0 HB2 TYR A 62 3.750 -3.534 -6.310 1.00 0.00 H new ATOM 0 HB3 TYR A 62 4.353 -3.901 -7.914 1.00 0.00 H new ATOM 0 HD1 TYR A 62 1.902 -1.725 -6.117 1.00 0.00 H new ATOM 0 HD2 TYR A 62 4.260 -2.272 -9.624 1.00 0.00 H new ATOM 0 HE1 TYR A 62 1.340 0.551 -6.849 1.00 0.00 H new ATOM 0 HE2 TYR A 62 3.697 0.002 -10.359 1.00 0.00 H new ATOM 0 HH TYR A 62 2.607 1.877 -9.912 1.00 0.00 H new ATOM 995 N ASN A 63 2.281 -5.754 -9.717 1.00 0.00 N ATOM 996 CA ASN A 63 1.951 -5.913 -11.133 1.00 0.00 C ATOM 997 C ASN A 63 0.481 -6.292 -11.354 1.00 0.00 C ATOM 998 O ASN A 63 -0.271 -5.529 -11.962 1.00 0.00 O ATOM 999 CB ASN A 63 2.858 -6.968 -11.776 1.00 0.00 C ATOM 1000 CG ASN A 63 4.323 -6.568 -11.753 1.00 0.00 C ATOM 1001 OD1 ASN A 63 4.810 -5.907 -12.669 1.00 0.00 O ATOM 1002 ND2 ASN A 63 5.034 -6.970 -10.703 1.00 0.00 N ATOM 0 H ASN A 63 2.789 -6.541 -9.313 1.00 0.00 H new ATOM 0 HA ASN A 63 2.116 -4.945 -11.607 1.00 0.00 H new ATOM 0 HB2 ASN A 63 2.735 -7.916 -11.252 1.00 0.00 H new ATOM 0 HB3 ASN A 63 2.545 -7.131 -12.807 1.00 0.00 H new ATOM 0 HD21 ASN A 63 6.023 -6.731 -10.635 1.00 0.00 H new ATOM 0 HD22 ASN A 63 4.590 -7.517 -9.965 1.00 0.00 H new ATOM 1009 N GLN A 64 0.074 -7.465 -10.856 1.00 0.00 N ATOM 1010 CA GLN A 64 -1.301 -7.944 -11.043 1.00 0.00 C ATOM 1011 C GLN A 64 -2.226 -7.607 -9.867 1.00 0.00 C ATOM 1012 O GLN A 64 -3.433 -7.814 -9.972 1.00 0.00 O ATOM 1013 CB GLN A 64 -1.303 -9.455 -11.277 1.00 0.00 C ATOM 1014 CG GLN A 64 -0.701 -9.869 -12.610 1.00 0.00 C ATOM 1015 CD GLN A 64 -0.659 -11.375 -12.787 1.00 0.00 C ATOM 1016 OE1 GLN A 64 0.331 -12.024 -12.447 1.00 0.00 O ATOM 1017 NE2 GLN A 64 -1.738 -11.942 -13.316 1.00 0.00 N ATOM 0 H GLN A 64 0.672 -8.097 -10.324 1.00 0.00 H new ATOM 0 HA GLN A 64 -1.693 -7.423 -11.917 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -0.749 -9.939 -10.473 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -2.328 -9.821 -11.223 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -1.282 -9.428 -13.420 1.00 0.00 H new ATOM 0 HG3 GLN A 64 0.310 -9.469 -12.688 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -2.537 -11.367 -13.584 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -1.767 -12.952 -13.454 1.00 0.00 H new ATOM 1026 N ALA A 65 -1.697 -7.094 -8.761 1.00 0.00 N ATOM 1027 CA ALA A 65 -2.538 -6.778 -7.604 1.00 0.00 C ATOM 1028 C ALA A 65 -3.466 -5.593 -7.873 1.00 0.00 C ATOM 1029 O ALA A 65 -4.659 -5.650 -7.566 1.00 0.00 O ATOM 1030 CB ALA A 65 -1.681 -6.505 -6.383 1.00 0.00 C ATOM 0 H ALA A 65 -0.705 -6.889 -8.638 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.165 -7.649 -7.415 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.322 -6.272 -5.533 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.082 -7.386 -6.155 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.022 -5.660 -6.583 1.00 0.00 H new ATOM 1036 N ARG A 66 -2.914 -4.522 -8.445 1.00 0.00 N ATOM 1037 CA ARG A 66 -3.689 -3.317 -8.745 1.00 0.00 C ATOM 1038 C ARG A 66 -4.777 -3.579 -9.794 1.00 0.00 C ATOM 1039 O ARG A 66 -5.838 -2.955 -9.757 1.00 0.00 O ATOM 1040 CB ARG A 66 -2.757 -2.203 -9.228 1.00 0.00 C ATOM 1041 CG ARG A 66 -3.437 -0.848 -9.353 1.00 0.00 C ATOM 1042 CD ARG A 66 -2.460 0.226 -9.808 1.00 0.00 C ATOM 1043 NE ARG A 66 -1.927 -0.041 -11.145 1.00 0.00 N ATOM 1044 CZ ARG A 66 -0.969 0.686 -11.727 1.00 0.00 C ATOM 1045 NH1 ARG A 66 -0.436 1.730 -11.099 1.00 0.00 N ATOM 1046 NH2 ARG A 66 -0.543 0.365 -12.945 1.00 0.00 N ATOM 0 H ARG A 66 -1.931 -4.464 -8.710 1.00 0.00 H new ATOM 0 HA ARG A 66 -4.186 -3.009 -7.825 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -1.919 -2.117 -8.536 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -2.343 -2.482 -10.197 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -4.260 -0.917 -10.064 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -3.868 -0.566 -8.392 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -2.960 1.194 -9.805 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -1.637 0.290 -9.097 1.00 0.00 H new ATOM 0 HE ARG A 66 -2.311 -0.831 -11.664 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -0.758 1.982 -10.165 1.00 0.00 H new ATOM 0 HH12 ARG A 66 0.295 2.279 -11.552 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -0.947 -0.434 -13.433 1.00 0.00 H new ATOM 0 HH22 ARG A 66 0.188 0.918 -13.392 1.00 0.00 H new ATOM 1060 N VAL A 67 -4.510 -4.498 -10.725 1.00 0.00 N ATOM 1061 CA VAL A 67 -5.469 -4.825 -11.782 1.00 0.00 C ATOM 1062 C VAL A 67 -6.459 -5.912 -11.341 1.00 0.00 C ATOM 1063 O VAL A 67 -7.644 -5.846 -11.673 1.00 0.00 O ATOM 1064 CB VAL A 67 -4.754 -5.274 -13.079 1.00 0.00 C ATOM 1065 CG1 VAL A 67 -3.969 -6.561 -12.859 1.00 0.00 C ATOM 1066 CG2 VAL A 67 -5.753 -5.438 -14.217 1.00 0.00 C ATOM 0 H VAL A 67 -3.639 -5.028 -10.768 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.026 -3.910 -11.984 1.00 0.00 H new ATOM 0 HB VAL A 67 -4.045 -4.494 -13.356 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.478 -6.851 -13.788 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.217 -6.401 -12.086 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.649 -7.353 -12.546 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -5.229 -5.754 -15.119 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.494 -6.190 -13.945 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.253 -4.487 -14.402 1.00 0.00 H new ATOM 1076 N LYS A 68 -5.968 -6.903 -10.594 1.00 0.00 N ATOM 1077 CA LYS A 68 -6.809 -8.005 -10.118 1.00 0.00 C ATOM 1078 C LYS A 68 -7.790 -7.549 -9.031 1.00 0.00 C ATOM 1079 O LYS A 68 -8.803 -8.209 -8.793 1.00 0.00 O ATOM 1080 CB LYS A 68 -5.932 -9.144 -9.589 1.00 0.00 C ATOM 1081 CG LYS A 68 -6.660 -10.470 -9.442 1.00 0.00 C ATOM 1082 CD LYS A 68 -7.132 -11.011 -10.787 1.00 0.00 C ATOM 1083 CE LYS A 68 -5.973 -11.227 -11.753 1.00 0.00 C ATOM 1084 NZ LYS A 68 -4.992 -12.226 -11.243 1.00 0.00 N ATOM 0 H LYS A 68 -4.992 -6.966 -10.305 1.00 0.00 H new ATOM 0 HA LYS A 68 -7.397 -8.360 -10.964 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -5.085 -9.279 -10.262 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -5.526 -8.855 -8.620 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.999 -11.197 -8.970 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -7.517 -10.342 -8.781 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -7.658 -11.954 -10.635 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -7.846 -10.315 -11.227 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -6.362 -11.561 -12.715 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.465 -10.278 -11.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -4.287 -12.428 -11.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -4.513 -11.845 -10.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -5.490 -13.103 -10.990 1.00 0.00 H new ATOM 1098 N TYR A 69 -7.482 -6.430 -8.369 1.00 0.00 N ATOM 1099 CA TYR A 69 -8.343 -5.897 -7.315 1.00 0.00 C ATOM 1100 C TYR A 69 -8.701 -4.435 -7.582 1.00 0.00 C ATOM 1101 O TYR A 69 -8.109 -3.790 -8.449 1.00 0.00 O ATOM 1102 CB TYR A 69 -7.658 -6.027 -5.954 1.00 0.00 C ATOM 1103 CG TYR A 69 -7.706 -7.425 -5.379 1.00 0.00 C ATOM 1104 CD1 TYR A 69 -6.764 -8.380 -5.739 1.00 0.00 C ATOM 1105 CD2 TYR A 69 -8.694 -7.785 -4.472 1.00 0.00 C ATOM 1106 CE1 TYR A 69 -6.805 -9.656 -5.212 1.00 0.00 C ATOM 1107 CE2 TYR A 69 -8.741 -9.060 -3.941 1.00 0.00 C ATOM 1108 CZ TYR A 69 -7.795 -9.991 -4.313 1.00 0.00 C ATOM 1109 OH TYR A 69 -7.835 -11.261 -3.782 1.00 0.00 O ATOM 0 H TYR A 69 -6.643 -5.878 -8.546 1.00 0.00 H new ATOM 0 HA TYR A 69 -9.265 -6.479 -7.308 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -6.617 -5.719 -6.051 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -8.130 -5.339 -5.253 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -5.987 -8.121 -6.443 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -9.436 -7.058 -4.177 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -6.065 -10.387 -5.503 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -9.516 -9.326 -3.237 1.00 0.00 H new ATOM 0 HH TYR A 69 -8.480 -11.287 -3.045 1.00 0.00 H new ATOM 1119 N SER A 70 -9.675 -3.921 -6.832 1.00 0.00 N ATOM 1120 CA SER A 70 -10.113 -2.536 -6.984 1.00 0.00 C ATOM 1121 C SER A 70 -9.228 -1.590 -6.171 1.00 0.00 C ATOM 1122 O SER A 70 -9.433 -1.410 -4.968 1.00 0.00 O ATOM 1123 CB SER A 70 -11.577 -2.389 -6.557 1.00 0.00 C ATOM 1124 OG SER A 70 -12.033 -1.060 -6.736 1.00 0.00 O ATOM 0 H SER A 70 -10.175 -4.444 -6.113 1.00 0.00 H new ATOM 0 HA SER A 70 -10.024 -2.267 -8.037 1.00 0.00 H new ATOM 0 HB2 SER A 70 -12.198 -3.070 -7.138 1.00 0.00 H new ATOM 0 HB3 SER A 70 -11.684 -2.675 -5.511 1.00 0.00 H new ATOM 0 HG SER A 70 -12.970 -0.995 -6.457 1.00 0.00 H new ATOM 1130 N LEU A 71 -8.233 -1.002 -6.837 1.00 0.00 N ATOM 1131 CA LEU A 71 -7.312 -0.067 -6.191 1.00 0.00 C ATOM 1132 C LEU A 71 -7.390 1.307 -6.857 1.00 0.00 C ATOM 1133 O LEU A 71 -7.968 2.239 -6.297 1.00 0.00 O ATOM 1134 CB LEU A 71 -5.873 -0.599 -6.241 1.00 0.00 C ATOM 1135 CG LEU A 71 -5.588 -1.808 -5.343 1.00 0.00 C ATOM 1136 CD1 LEU A 71 -6.214 -3.070 -5.916 1.00 0.00 C ATOM 1137 CD2 LEU A 71 -4.090 -1.991 -5.160 1.00 0.00 C ATOM 0 H LEU A 71 -8.044 -1.158 -7.827 1.00 0.00 H new ATOM 0 HA LEU A 71 -7.607 0.033 -5.146 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.639 -0.869 -7.271 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.195 0.208 -5.961 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.037 -1.621 -4.368 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -5.997 -3.914 -5.261 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.293 -2.938 -5.993 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.801 -3.264 -6.906 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.904 -2.853 -4.520 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.622 -2.152 -6.131 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.668 -1.099 -4.698 1.00 0.00 H new