USER MOD reduce.3.24.130724 H: found=0, std=0, add=606, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 607 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 61 GLN :FLIP amide:sc= 0 F(o=-18,f=-15) USER MOD Set 1.2: A 64 HIS : no HD1:sc= -14.8! C(o=-15!,f=-17!) USER MOD Set 2.1: A 27 ASN :FLIP amide:sc= -3.08 F(o=-5.6,f=-3.1) USER MOD Set 2.2: A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= 0.154 K(o=0.15,f=-1.3!) USER MOD Single : A 4 MET CE :methyl 147:sc= -0.609 (180deg=-1.66!) USER MOD Single : A 6 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.319) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.00131 USER MOD Single : A 10 THR OG1 : rot 180:sc= -2.01 USER MOD Single : A 13 MET CE :methyl 172:sc= -1.62 (180deg=-1.9!) USER MOD Single : A 17 ASN : amide:sc= -0.782 K(o=-0.78,f=-1.9) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 162:sc= -0.43 (180deg=-1.43!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 90:sc= -4.13 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 153:sc= -4.53! (180deg=-6.43!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -160:sc= 0.601 (180deg=0.153) USER MOD Single : A 58 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 63 TYR OH : rot -64:sc= 0.199 USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN :FLIP amide:sc= 0.00388 F(o=-1,f=0.0039) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 -13.858 -18.119 15.890 1.00 0.00 N ATOM 2 CA SER A 2 -12.796 -18.713 15.086 1.00 0.00 C ATOM 3 C SER A 2 -11.739 -17.674 14.726 1.00 0.00 C ATOM 4 O SER A 2 -11.746 -16.560 15.250 1.00 0.00 O ATOM 5 CB SER A 2 -13.375 -19.330 13.811 1.00 0.00 C ATOM 6 OG SER A 2 -13.699 -18.330 12.861 1.00 0.00 O ATOM 0 HA SER A 2 -12.323 -19.496 15.678 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.654 -20.025 13.380 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.267 -19.906 14.055 1.00 0.00 H new ATOM 0 HG SER A 2 -14.065 -18.751 12.055 1.00 0.00 H new ATOM 12 N HIS A 3 -10.832 -18.045 13.829 1.00 0.00 N ATOM 13 CA HIS A 3 -9.769 -17.145 13.398 1.00 0.00 C ATOM 14 C HIS A 3 -10.347 -15.885 12.761 1.00 0.00 C ATOM 15 O HIS A 3 -11.184 -15.961 11.862 1.00 0.00 O ATOM 16 CB HIS A 3 -8.842 -17.852 12.408 1.00 0.00 C ATOM 17 CG HIS A 3 -9.572 -18.593 11.331 1.00 0.00 C ATOM 18 ND1 HIS A 3 -9.995 -19.898 11.468 1.00 0.00 N ATOM 19 CD2 HIS A 3 -9.955 -18.204 10.091 1.00 0.00 C ATOM 20 CE1 HIS A 3 -10.605 -20.281 10.361 1.00 0.00 C ATOM 21 NE2 HIS A 3 -10.595 -19.271 9.510 1.00 0.00 N ATOM 0 H HIS A 3 -10.812 -18.964 13.386 1.00 0.00 H new ATOM 0 HA HIS A 3 -9.195 -16.855 14.278 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -8.184 -17.115 11.949 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -8.207 -18.551 12.953 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -9.788 -17.236 9.643 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -11.038 -21.254 10.182 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -10.998 -19.282 8.573 1.00 0.00 H new ATOM 30 N MET A 4 -9.895 -14.727 13.234 1.00 0.00 N ATOM 31 CA MET A 4 -10.366 -13.450 12.711 1.00 0.00 C ATOM 32 C MET A 4 -9.671 -12.285 13.413 1.00 0.00 C ATOM 33 O MET A 4 -9.000 -11.475 12.772 1.00 0.00 O ATOM 34 CB MET A 4 -11.884 -13.334 12.872 1.00 0.00 C ATOM 35 CG MET A 4 -12.628 -13.205 11.552 1.00 0.00 C ATOM 36 SD MET A 4 -13.700 -14.615 11.213 1.00 0.00 S ATOM 37 CE MET A 4 -12.962 -15.247 9.707 1.00 0.00 C ATOM 0 H MET A 4 -9.203 -14.648 13.979 1.00 0.00 H new ATOM 0 HA MET A 4 -10.121 -13.407 11.650 1.00 0.00 H new ATOM 0 HB2 MET A 4 -12.253 -14.212 13.403 1.00 0.00 H new ATOM 0 HB3 MET A 4 -12.110 -12.467 13.493 1.00 0.00 H new ATOM 0 HG2 MET A 4 -13.227 -12.294 11.565 1.00 0.00 H new ATOM 0 HG3 MET A 4 -11.906 -13.100 10.742 1.00 0.00 H new ATOM 0 HE1 MET A 4 -13.065 -16.332 9.679 1.00 0.00 H new ATOM 0 HE2 MET A 4 -13.466 -14.812 8.844 1.00 0.00 H new ATOM 0 HE3 MET A 4 -11.905 -14.983 9.681 1.00 0.00 H new ATOM 47 N PRO A 5 -9.826 -12.180 14.745 1.00 0.00 N ATOM 48 CA PRO A 5 -9.213 -11.105 15.531 1.00 0.00 C ATOM 49 C PRO A 5 -7.738 -11.354 15.826 1.00 0.00 C ATOM 50 O PRO A 5 -7.297 -11.231 16.969 1.00 0.00 O ATOM 51 CB PRO A 5 -10.015 -11.130 16.829 1.00 0.00 C ATOM 52 CG PRO A 5 -10.418 -12.558 16.983 1.00 0.00 C ATOM 53 CD PRO A 5 -10.615 -13.098 15.590 1.00 0.00 C ATOM 0 HA PRO A 5 -9.238 -10.153 15.001 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -9.415 -10.792 17.674 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -10.884 -10.475 16.773 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -9.651 -13.123 17.513 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -11.336 -12.642 17.565 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -10.261 -14.125 15.505 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -11.667 -13.099 15.306 1.00 0.00 H new ATOM 61 N LYS A 6 -6.972 -11.694 14.796 1.00 0.00 N ATOM 62 CA LYS A 6 -5.545 -11.945 14.961 1.00 0.00 C ATOM 63 C LYS A 6 -4.776 -10.626 15.007 1.00 0.00 C ATOM 64 O LYS A 6 -3.744 -10.474 14.354 1.00 0.00 O ATOM 65 CB LYS A 6 -5.022 -12.818 13.818 1.00 0.00 C ATOM 66 CG LYS A 6 -5.163 -12.176 12.447 1.00 0.00 C ATOM 67 CD LYS A 6 -6.350 -12.742 11.684 1.00 0.00 C ATOM 68 CE LYS A 6 -6.942 -11.715 10.733 1.00 0.00 C ATOM 69 NZ LYS A 6 -7.984 -12.310 9.851 1.00 0.00 N ATOM 0 H LYS A 6 -7.313 -11.802 13.841 1.00 0.00 H new ATOM 0 HA LYS A 6 -5.394 -12.473 15.903 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -3.971 -13.045 13.997 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -5.558 -13.767 13.822 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -5.282 -11.098 12.560 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -4.250 -12.337 11.873 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -6.037 -13.622 11.122 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -7.114 -13.070 12.389 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -7.377 -10.897 11.307 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -6.148 -11.288 10.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -8.001 -11.803 8.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -7.766 -13.313 9.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -8.914 -12.230 10.309 1.00 0.00 H new ATOM 83 N ARG A 7 -5.309 -9.666 15.764 1.00 0.00 N ATOM 84 CA ARG A 7 -4.717 -8.353 15.889 1.00 0.00 C ATOM 85 C ARG A 7 -5.127 -7.515 14.704 1.00 0.00 C ATOM 86 O ARG A 7 -5.438 -8.039 13.633 1.00 0.00 O ATOM 87 CB ARG A 7 -3.197 -8.407 16.042 1.00 0.00 C ATOM 88 CG ARG A 7 -2.712 -7.687 17.291 1.00 0.00 C ATOM 89 CD ARG A 7 -1.233 -7.344 17.201 1.00 0.00 C ATOM 90 NE ARG A 7 -0.960 -6.371 16.146 1.00 0.00 N ATOM 91 CZ ARG A 7 0.259 -6.095 15.689 1.00 0.00 C ATOM 92 NH1 ARG A 7 1.320 -6.716 16.191 1.00 0.00 N ATOM 93 NH2 ARG A 7 0.418 -5.196 14.727 1.00 0.00 N ATOM 0 H ARG A 7 -6.165 -9.787 16.305 1.00 0.00 H new ATOM 0 HA ARG A 7 -5.088 -7.893 16.805 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -2.875 -9.448 16.078 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -2.730 -7.960 15.164 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -3.290 -6.774 17.433 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -2.888 -8.314 18.165 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -0.894 -6.946 18.158 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -0.661 -8.253 17.013 1.00 0.00 H new ATOM 0 HE ARG A 7 -1.750 -5.874 15.735 1.00 0.00 H new ATOM 0 HH11 ARG A 7 1.203 -7.409 16.931 1.00 0.00 H new ATOM 0 HH12 ARG A 7 2.252 -6.501 15.837 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -0.394 -4.717 14.338 1.00 0.00 H new ATOM 0 HH22 ARG A 7 1.352 -4.984 14.376 1.00 0.00 H new ATOM 107 N ALA A 8 -5.177 -6.221 14.911 1.00 0.00 N ATOM 108 CA ALA A 8 -5.608 -5.315 13.877 1.00 0.00 C ATOM 109 C ALA A 8 -4.475 -4.887 12.954 1.00 0.00 C ATOM 110 O ALA A 8 -3.360 -5.403 13.026 1.00 0.00 O ATOM 111 CB ALA A 8 -6.270 -4.127 14.518 1.00 0.00 C ATOM 0 H ALA A 8 -4.923 -5.772 15.791 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.321 -5.838 13.241 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -6.601 -3.434 13.745 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -7.130 -4.459 15.099 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.560 -3.625 15.175 1.00 0.00 H new ATOM 117 N THR A 9 -4.798 -3.963 12.059 1.00 0.00 N ATOM 118 CA THR A 9 -3.851 -3.469 11.069 1.00 0.00 C ATOM 119 C THR A 9 -3.206 -2.146 11.483 1.00 0.00 C ATOM 120 O THR A 9 -3.898 -1.173 11.763 1.00 0.00 O ATOM 121 CB THR A 9 -4.582 -3.285 9.741 1.00 0.00 C ATOM 122 OG1 THR A 9 -5.838 -3.943 9.761 1.00 0.00 O ATOM 123 CG2 THR A 9 -3.815 -3.812 8.563 1.00 0.00 C ATOM 0 H THR A 9 -5.722 -3.536 11.999 1.00 0.00 H new ATOM 0 HA THR A 9 -3.049 -4.202 10.977 1.00 0.00 H new ATOM 0 HB THR A 9 -4.702 -2.208 9.627 1.00 0.00 H new ATOM 0 HG1 THR A 9 -6.290 -3.811 8.902 1.00 0.00 H new ATOM 0 HG21 THR A 9 -4.391 -3.650 7.652 1.00 0.00 H new ATOM 0 HG22 THR A 9 -2.861 -3.290 8.487 1.00 0.00 H new ATOM 0 HG23 THR A 9 -3.636 -4.879 8.694 1.00 0.00 H new ATOM 131 N THR A 10 -1.875 -2.118 11.507 1.00 0.00 N ATOM 132 CA THR A 10 -1.135 -0.920 11.873 1.00 0.00 C ATOM 133 C THR A 10 -1.393 0.181 10.877 1.00 0.00 C ATOM 134 O THR A 10 -1.704 -0.080 9.714 1.00 0.00 O ATOM 135 CB THR A 10 0.362 -1.219 11.939 1.00 0.00 C ATOM 136 OG1 THR A 10 0.787 -1.908 10.776 1.00 0.00 O ATOM 137 CG2 THR A 10 0.754 -2.057 13.136 1.00 0.00 C ATOM 0 H THR A 10 -1.287 -2.919 11.275 1.00 0.00 H new ATOM 0 HA THR A 10 -1.474 -0.594 12.856 1.00 0.00 H new ATOM 0 HB THR A 10 0.847 -0.246 12.023 1.00 0.00 H new ATOM 0 HG1 THR A 10 1.748 -2.089 10.836 1.00 0.00 H new ATOM 0 HG21 THR A 10 1.830 -2.232 13.121 1.00 0.00 H new ATOM 0 HG22 THR A 10 0.484 -1.531 14.052 1.00 0.00 H new ATOM 0 HG23 THR A 10 0.231 -3.012 13.098 1.00 0.00 H new ATOM 145 N ALA A 11 -1.236 1.416 11.330 1.00 0.00 N ATOM 146 CA ALA A 11 -1.420 2.561 10.471 1.00 0.00 C ATOM 147 C ALA A 11 -0.740 2.296 9.142 1.00 0.00 C ATOM 148 O ALA A 11 -1.282 2.580 8.074 1.00 0.00 O ATOM 149 CB ALA A 11 -0.842 3.793 11.143 1.00 0.00 C ATOM 0 H ALA A 11 -0.981 1.644 12.291 1.00 0.00 H new ATOM 0 HA ALA A 11 -2.481 2.734 10.292 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -0.980 4.659 10.496 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.352 3.964 12.091 1.00 0.00 H new ATOM 0 HB3 ALA A 11 0.222 3.642 11.326 1.00 0.00 H new ATOM 155 N PHE A 12 0.469 1.756 9.233 1.00 0.00 N ATOM 156 CA PHE A 12 1.278 1.444 8.061 1.00 0.00 C ATOM 157 C PHE A 12 0.726 0.263 7.274 1.00 0.00 C ATOM 158 O PHE A 12 0.836 0.215 6.051 1.00 0.00 O ATOM 159 CB PHE A 12 2.695 1.109 8.513 1.00 0.00 C ATOM 160 CG PHE A 12 3.725 1.224 7.425 1.00 0.00 C ATOM 161 CD1 PHE A 12 3.780 0.285 6.407 1.00 0.00 C ATOM 162 CD2 PHE A 12 4.641 2.264 7.423 1.00 0.00 C ATOM 163 CE1 PHE A 12 4.730 0.380 5.409 1.00 0.00 C ATOM 164 CE2 PHE A 12 5.593 2.365 6.425 1.00 0.00 C ATOM 165 CZ PHE A 12 5.637 1.421 5.418 1.00 0.00 C ATOM 0 H PHE A 12 0.916 1.522 10.120 1.00 0.00 H new ATOM 0 HA PHE A 12 1.265 2.317 7.409 1.00 0.00 H new ATOM 0 HB2 PHE A 12 2.971 1.773 9.332 1.00 0.00 H new ATOM 0 HB3 PHE A 12 2.709 0.093 8.907 1.00 0.00 H new ATOM 0 HD1 PHE A 12 3.072 -0.530 6.394 1.00 0.00 H new ATOM 0 HD2 PHE A 12 4.611 3.004 8.209 1.00 0.00 H new ATOM 0 HE1 PHE A 12 4.763 -0.359 4.622 1.00 0.00 H new ATOM 0 HE2 PHE A 12 6.301 3.181 6.433 1.00 0.00 H new ATOM 0 HZ PHE A 12 6.380 1.497 4.638 1.00 0.00 H new ATOM 175 N MET A 13 0.161 -0.703 7.977 1.00 0.00 N ATOM 176 CA MET A 13 -0.368 -1.878 7.325 1.00 0.00 C ATOM 177 C MET A 13 -1.668 -1.542 6.639 1.00 0.00 C ATOM 178 O MET A 13 -1.809 -1.725 5.431 1.00 0.00 O ATOM 179 CB MET A 13 -0.574 -3.011 8.331 1.00 0.00 C ATOM 180 CG MET A 13 0.710 -3.737 8.702 1.00 0.00 C ATOM 181 SD MET A 13 0.861 -5.344 7.897 1.00 0.00 S ATOM 182 CE MET A 13 0.266 -4.961 6.252 1.00 0.00 C ATOM 0 H MET A 13 0.059 -0.694 8.992 1.00 0.00 H new ATOM 0 HA MET A 13 0.351 -2.215 6.579 1.00 0.00 H new ATOM 0 HB2 MET A 13 -1.026 -2.605 9.236 1.00 0.00 H new ATOM 0 HB3 MET A 13 -1.281 -3.730 7.916 1.00 0.00 H new ATOM 0 HG2 MET A 13 1.564 -3.117 8.429 1.00 0.00 H new ATOM 0 HG3 MET A 13 0.746 -3.872 9.783 1.00 0.00 H new ATOM 0 HE1 MET A 13 0.431 -5.817 5.597 1.00 0.00 H new ATOM 0 HE2 MET A 13 -0.800 -4.736 6.294 1.00 0.00 H new ATOM 0 HE3 MET A 13 0.804 -4.097 5.863 1.00 0.00 H new ATOM 192 N LEU A 14 -2.635 -1.081 7.417 1.00 0.00 N ATOM 193 CA LEU A 14 -3.937 -0.758 6.880 1.00 0.00 C ATOM 194 C LEU A 14 -3.852 0.203 5.699 1.00 0.00 C ATOM 195 O LEU A 14 -4.670 0.133 4.781 1.00 0.00 O ATOM 196 CB LEU A 14 -4.869 -0.291 8.027 1.00 0.00 C ATOM 197 CG LEU A 14 -5.294 1.194 8.164 1.00 0.00 C ATOM 198 CD1 LEU A 14 -4.822 1.748 9.485 1.00 0.00 C ATOM 199 CD2 LEU A 14 -4.804 2.107 7.071 1.00 0.00 C ATOM 0 H LEU A 14 -2.538 -0.924 8.420 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.387 -1.654 6.453 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.784 -0.878 7.952 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.386 -0.571 8.963 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.381 1.175 8.090 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.126 2.791 9.571 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.263 1.173 10.299 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.736 1.680 9.541 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.155 3.122 7.260 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.714 2.098 7.051 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.188 1.763 6.110 1.00 0.00 H new ATOM 211 N TRP A 15 -2.856 1.087 5.703 1.00 0.00 N ATOM 212 CA TRP A 15 -2.692 2.028 4.603 1.00 0.00 C ATOM 213 C TRP A 15 -1.970 1.337 3.476 1.00 0.00 C ATOM 214 O TRP A 15 -2.367 1.419 2.315 1.00 0.00 O ATOM 215 CB TRP A 15 -1.906 3.271 5.024 1.00 0.00 C ATOM 216 CG TRP A 15 -1.037 3.813 3.921 1.00 0.00 C ATOM 217 CD1 TRP A 15 -1.362 4.784 3.018 1.00 0.00 C ATOM 218 CD2 TRP A 15 0.296 3.397 3.598 1.00 0.00 C ATOM 219 NE1 TRP A 15 -0.311 4.997 2.156 1.00 0.00 N ATOM 220 CE2 TRP A 15 0.719 4.157 2.491 1.00 0.00 C ATOM 221 CE3 TRP A 15 1.175 2.457 4.139 1.00 0.00 C ATOM 222 CZ2 TRP A 15 1.989 3.992 1.922 1.00 0.00 C ATOM 223 CZ3 TRP A 15 2.421 2.311 3.564 1.00 0.00 C ATOM 224 CH2 TRP A 15 2.804 3.069 2.481 1.00 0.00 C ATOM 0 H TRP A 15 -2.161 1.170 6.445 1.00 0.00 H new ATOM 0 HA TRP A 15 -3.682 2.356 4.286 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -2.603 4.045 5.344 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -1.283 3.027 5.885 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -2.306 5.308 2.985 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -0.300 5.671 1.391 1.00 0.00 H new ATOM 0 HE3 TRP A 15 0.886 1.857 4.989 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 2.304 4.578 1.071 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 3.110 1.587 3.972 1.00 0.00 H new ATOM 0 HH2 TRP A 15 3.789 2.922 2.063 1.00 0.00 H new ATOM 235 N LEU A 16 -0.921 0.618 3.841 1.00 0.00 N ATOM 236 CA LEU A 16 -0.165 -0.126 2.864 1.00 0.00 C ATOM 237 C LEU A 16 -1.054 -1.186 2.257 1.00 0.00 C ATOM 238 O LEU A 16 -0.769 -1.723 1.214 1.00 0.00 O ATOM 239 CB LEU A 16 1.058 -0.789 3.483 1.00 0.00 C ATOM 240 CG LEU A 16 1.911 -1.548 2.472 1.00 0.00 C ATOM 241 CD1 LEU A 16 2.543 -0.572 1.504 1.00 0.00 C ATOM 242 CD2 LEU A 16 2.979 -2.375 3.171 1.00 0.00 C ATOM 0 H LEU A 16 -0.581 0.538 4.799 1.00 0.00 H new ATOM 0 HA LEU A 16 0.182 0.570 2.100 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.671 -0.027 3.965 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.733 -1.477 4.263 1.00 0.00 H new ATOM 0 HG LEU A 16 1.269 -2.234 1.919 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.152 -1.117 0.783 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.762 -0.024 0.978 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.172 0.129 2.053 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.573 -2.906 2.427 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.627 -1.717 3.751 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.504 -3.095 3.837 1.00 0.00 H new ATOM 254 N ASN A 17 -2.151 -1.472 2.916 1.00 0.00 N ATOM 255 CA ASN A 17 -3.088 -2.454 2.440 1.00 0.00 C ATOM 256 C ASN A 17 -3.854 -1.908 1.241 1.00 0.00 C ATOM 257 O ASN A 17 -3.846 -2.470 0.120 1.00 0.00 O ATOM 258 CB ASN A 17 -4.065 -2.752 3.593 1.00 0.00 C ATOM 259 CG ASN A 17 -4.182 -4.225 3.912 1.00 0.00 C ATOM 260 OD1 ASN A 17 -3.998 -5.082 3.047 1.00 0.00 O ATOM 261 ND2 ASN A 17 -4.493 -4.522 5.169 1.00 0.00 N ATOM 0 H ASN A 17 -2.417 -1.030 3.796 1.00 0.00 H new ATOM 0 HA ASN A 17 -2.569 -3.360 2.127 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -3.736 -2.219 4.485 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -5.050 -2.364 3.335 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -4.589 -5.497 5.454 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -4.636 -3.775 5.849 1.00 0.00 H new ATOM 268 N ASP A 18 -4.425 -0.739 1.480 1.00 0.00 N ATOM 269 CA ASP A 18 -5.172 -0.027 0.477 1.00 0.00 C ATOM 270 C ASP A 18 -4.257 0.581 -0.554 1.00 0.00 C ATOM 271 O ASP A 18 -4.659 0.793 -1.698 1.00 0.00 O ATOM 272 CB ASP A 18 -6.031 1.061 1.123 1.00 0.00 C ATOM 273 CG ASP A 18 -7.381 0.538 1.576 1.00 0.00 C ATOM 274 OD1 ASP A 18 -7.408 -0.369 2.434 1.00 0.00 O ATOM 275 OD2 ASP A 18 -8.410 1.036 1.074 1.00 0.00 O ATOM 0 H ASP A 18 -4.379 -0.262 2.381 1.00 0.00 H new ATOM 0 HA ASP A 18 -5.823 -0.742 -0.025 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -5.500 1.479 1.979 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -6.179 1.874 0.412 1.00 0.00 H new ATOM 280 N THR A 19 -3.031 0.888 -0.159 1.00 0.00 N ATOM 281 CA THR A 19 -2.081 1.491 -1.063 1.00 0.00 C ATOM 282 C THR A 19 -1.059 0.494 -1.583 1.00 0.00 C ATOM 283 O THR A 19 -0.546 0.681 -2.673 1.00 0.00 O ATOM 284 CB THR A 19 -1.395 2.637 -0.350 1.00 0.00 C ATOM 285 OG1 THR A 19 -1.712 3.876 -0.955 1.00 0.00 O ATOM 286 CG2 THR A 19 0.111 2.524 -0.281 1.00 0.00 C ATOM 0 H THR A 19 -2.676 0.727 0.784 1.00 0.00 H new ATOM 0 HA THR A 19 -2.621 1.857 -1.936 1.00 0.00 H new ATOM 0 HB THR A 19 -1.776 2.584 0.670 1.00 0.00 H new ATOM 0 HG1 THR A 19 -1.258 4.600 -0.475 1.00 0.00 H new ATOM 0 HG21 THR A 19 0.517 3.387 0.246 1.00 0.00 H new ATOM 0 HG22 THR A 19 0.383 1.613 0.251 1.00 0.00 H new ATOM 0 HG23 THR A 19 0.520 2.490 -1.291 1.00 0.00 H new ATOM 294 N ARG A 20 -0.771 -0.576 -0.828 1.00 0.00 N ATOM 295 CA ARG A 20 0.189 -1.571 -1.311 1.00 0.00 C ATOM 296 C ARG A 20 -0.316 -2.076 -2.618 1.00 0.00 C ATOM 297 O ARG A 20 0.450 -2.344 -3.544 1.00 0.00 O ATOM 298 CB ARG A 20 0.393 -2.750 -0.357 1.00 0.00 C ATOM 299 CG ARG A 20 -0.675 -3.826 -0.459 1.00 0.00 C ATOM 300 CD ARG A 20 -0.172 -5.145 0.097 1.00 0.00 C ATOM 301 NE ARG A 20 -1.010 -5.637 1.187 1.00 0.00 N ATOM 302 CZ ARG A 20 -1.055 -6.911 1.573 1.00 0.00 C ATOM 303 NH1 ARG A 20 -0.307 -7.824 0.965 1.00 0.00 N ATOM 304 NH2 ARG A 20 -1.847 -7.272 2.573 1.00 0.00 N ATOM 0 H ARG A 20 -1.175 -0.769 0.089 1.00 0.00 H new ATOM 0 HA ARG A 20 1.161 -1.085 -1.396 1.00 0.00 H new ATOM 0 HB2 ARG A 20 1.366 -3.200 -0.556 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.418 -2.375 0.666 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.565 -3.513 0.087 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -0.969 -3.955 -1.501 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.143 -5.887 -0.701 1.00 0.00 H new ATOM 0 HD3 ARG A 20 0.850 -5.021 0.454 1.00 0.00 H new ATOM 0 HE ARG A 20 -1.596 -4.965 1.682 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.307 -7.551 0.197 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -0.346 -8.798 1.266 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -2.421 -6.574 3.046 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -1.882 -8.247 2.869 1.00 0.00 H new ATOM 318 N GLU A 21 -1.636 -2.130 -2.713 1.00 0.00 N ATOM 319 CA GLU A 21 -2.231 -2.529 -3.975 1.00 0.00 C ATOM 320 C GLU A 21 -1.768 -1.512 -5.016 1.00 0.00 C ATOM 321 O GLU A 21 -1.407 -1.849 -6.146 1.00 0.00 O ATOM 322 CB GLU A 21 -3.761 -2.569 -3.885 1.00 0.00 C ATOM 323 CG GLU A 21 -4.408 -1.197 -3.797 1.00 0.00 C ATOM 324 CD GLU A 21 -5.863 -1.264 -3.375 1.00 0.00 C ATOM 325 OE1 GLU A 21 -6.224 -2.206 -2.639 1.00 0.00 O ATOM 326 OE2 GLU A 21 -6.640 -0.374 -3.779 1.00 0.00 O ATOM 0 H GLU A 21 -2.292 -1.912 -1.963 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.917 -3.537 -4.247 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -4.153 -3.090 -4.759 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -4.049 -3.152 -3.010 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.855 -0.584 -3.085 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.337 -0.703 -4.766 1.00 0.00 H new ATOM 333 N SER A 22 -1.798 -0.251 -4.589 1.00 0.00 N ATOM 334 CA SER A 22 -1.405 0.865 -5.435 1.00 0.00 C ATOM 335 C SER A 22 0.104 0.875 -5.698 1.00 0.00 C ATOM 336 O SER A 22 0.578 1.553 -6.610 1.00 0.00 O ATOM 337 CB SER A 22 -1.833 2.191 -4.801 1.00 0.00 C ATOM 338 OG SER A 22 -3.073 2.631 -5.327 1.00 0.00 O ATOM 0 H SER A 22 -2.094 0.021 -3.652 1.00 0.00 H new ATOM 0 HA SER A 22 -1.911 0.742 -6.393 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.915 2.072 -3.721 1.00 0.00 H new ATOM 0 HB3 SER A 22 -1.069 2.947 -4.981 1.00 0.00 H new ATOM 0 HG SER A 22 -3.325 3.479 -4.905 1.00 0.00 H new ATOM 344 N ILE A 23 0.849 0.140 -4.882 1.00 0.00 N ATOM 345 CA ILE A 23 2.300 0.088 -5.016 1.00 0.00 C ATOM 346 C ILE A 23 2.733 -0.889 -6.080 1.00 0.00 C ATOM 347 O ILE A 23 3.632 -0.597 -6.870 1.00 0.00 O ATOM 348 CB ILE A 23 2.976 -0.306 -3.699 1.00 0.00 C ATOM 349 CG1 ILE A 23 2.427 0.556 -2.583 1.00 0.00 C ATOM 350 CG2 ILE A 23 4.487 -0.163 -3.813 1.00 0.00 C ATOM 351 CD1 ILE A 23 3.118 0.367 -1.254 1.00 0.00 C ATOM 0 H ILE A 23 0.474 -0.427 -4.122 1.00 0.00 H new ATOM 0 HA ILE A 23 2.609 1.094 -5.301 1.00 0.00 H new ATOM 0 HB ILE A 23 2.762 -1.351 -3.475 1.00 0.00 H new ATOM 0 HG12 ILE A 23 2.508 1.603 -2.875 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.366 0.340 -2.461 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.952 -0.447 -2.869 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.855 -0.812 -4.608 1.00 0.00 H new ATOM 0 HG23 ILE A 23 4.738 0.872 -4.044 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.663 1.022 -0.511 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.016 -0.670 -0.935 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.175 0.613 -1.355 1.00 0.00 H new ATOM 363 N LYS A 24 2.111 -2.054 -6.101 1.00 0.00 N ATOM 364 CA LYS A 24 2.483 -3.045 -7.081 1.00 0.00 C ATOM 365 C LYS A 24 2.021 -2.619 -8.470 1.00 0.00 C ATOM 366 O LYS A 24 2.662 -2.939 -9.469 1.00 0.00 O ATOM 367 CB LYS A 24 1.947 -4.425 -6.718 1.00 0.00 C ATOM 368 CG LYS A 24 3.016 -5.505 -6.745 1.00 0.00 C ATOM 369 CD LYS A 24 3.786 -5.563 -5.435 1.00 0.00 C ATOM 370 CE LYS A 24 4.266 -6.975 -5.121 1.00 0.00 C ATOM 371 NZ LYS A 24 4.364 -7.829 -6.340 1.00 0.00 N ATOM 0 H LYS A 24 1.363 -2.329 -5.464 1.00 0.00 H new ATOM 0 HA LYS A 24 3.571 -3.118 -7.089 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.503 -4.386 -5.723 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.150 -4.693 -7.412 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.552 -6.472 -6.938 1.00 0.00 H new ATOM 0 HG3 LYS A 24 3.707 -5.313 -7.566 1.00 0.00 H new ATOM 0 HD2 LYS A 24 4.643 -4.891 -5.487 1.00 0.00 H new ATOM 0 HD3 LYS A 24 3.151 -5.207 -4.624 1.00 0.00 H new ATOM 0 HE2 LYS A 24 5.241 -6.925 -4.637 1.00 0.00 H new ATOM 0 HE3 LYS A 24 3.581 -7.438 -4.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 4.966 -8.653 -6.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 3.415 -8.153 -6.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.780 -7.278 -7.118 1.00 0.00 H new ATOM 385 N ARG A 25 0.929 -1.859 -8.526 1.00 0.00 N ATOM 386 CA ARG A 25 0.431 -1.353 -9.801 1.00 0.00 C ATOM 387 C ARG A 25 1.362 -0.241 -10.265 1.00 0.00 C ATOM 388 O ARG A 25 1.747 -0.165 -11.432 1.00 0.00 O ATOM 389 CB ARG A 25 -0.998 -0.827 -9.655 1.00 0.00 C ATOM 390 CG ARG A 25 -2.058 -1.913 -9.750 1.00 0.00 C ATOM 391 CD ARG A 25 -3.237 -1.621 -8.836 1.00 0.00 C ATOM 392 NE ARG A 25 -3.953 -0.410 -9.233 1.00 0.00 N ATOM 393 CZ ARG A 25 -5.190 -0.118 -8.839 1.00 0.00 C ATOM 394 NH1 ARG A 25 -5.852 -0.944 -8.040 1.00 0.00 N ATOM 395 NH2 ARG A 25 -5.767 1.004 -9.248 1.00 0.00 N ATOM 0 H ARG A 25 0.378 -1.583 -7.713 1.00 0.00 H new ATOM 0 HA ARG A 25 0.411 -2.158 -10.536 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.094 -0.320 -8.695 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -1.183 -0.082 -10.428 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -2.406 -1.994 -10.780 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.620 -2.875 -9.485 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -3.923 -2.468 -8.848 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -2.883 -1.513 -7.811 1.00 0.00 H new ATOM 0 HE ARG A 25 -3.477 0.250 -9.848 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -5.413 -1.809 -7.724 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -6.800 -0.714 -7.742 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -5.263 1.642 -9.864 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -6.715 1.229 -8.947 1.00 0.00 H new ATOM 409 N GLU A 26 1.737 0.599 -9.306 1.00 0.00 N ATOM 410 CA GLU A 26 2.651 1.702 -9.550 1.00 0.00 C ATOM 411 C GLU A 26 4.024 1.150 -9.909 1.00 0.00 C ATOM 412 O GLU A 26 4.884 1.867 -10.424 1.00 0.00 O ATOM 413 CB GLU A 26 2.750 2.602 -8.316 1.00 0.00 C ATOM 414 CG GLU A 26 1.595 3.582 -8.184 1.00 0.00 C ATOM 415 CD GLU A 26 1.962 4.979 -8.646 1.00 0.00 C ATOM 416 OE1 GLU A 26 2.641 5.698 -7.883 1.00 0.00 O ATOM 417 OE2 GLU A 26 1.570 5.353 -9.772 1.00 0.00 O ATOM 0 H GLU A 26 1.415 0.532 -8.340 1.00 0.00 H new ATOM 0 HA GLU A 26 2.272 2.301 -10.379 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.790 1.978 -7.423 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.686 3.159 -8.357 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.748 3.221 -8.767 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.272 3.620 -7.144 1.00 0.00 H new ATOM 424 N ASN A 27 4.209 -0.145 -9.654 1.00 0.00 N ATOM 425 CA ASN A 27 5.449 -0.820 -9.964 1.00 0.00 C ATOM 426 C ASN A 27 5.191 -2.313 -10.144 1.00 0.00 C ATOM 427 O ASN A 27 5.413 -3.105 -9.229 1.00 0.00 O ATOM 428 CB ASN A 27 6.484 -0.577 -8.868 1.00 0.00 C ATOM 429 CG ASN A 27 6.694 0.898 -8.587 1.00 0.00 C ATOM 430 OD1 ASN A 27 5.840 1.468 -7.745 1.00 0.00 O flip ATOM 431 ND2 ASN A 27 7.615 1.519 -9.121 1.00 0.00 N flip ATOM 0 H ASN A 27 3.502 -0.745 -9.229 1.00 0.00 H new ATOM 0 HA ASN A 27 5.848 -0.417 -10.895 1.00 0.00 H new ATOM 0 HB2 ASN A 27 6.164 -1.076 -7.953 1.00 0.00 H new ATOM 0 HB3 ASN A 27 7.432 -1.027 -9.162 1.00 0.00 H new ATOM 0 HD21 ASN A 27 8.248 1.041 -9.762 1.00 0.00 H new ATOM 0 HD22 ASN A 27 7.744 2.511 -8.922 1.00 0.00 H new ATOM 438 N PRO A 28 4.693 -2.713 -11.330 1.00 0.00 N ATOM 439 CA PRO A 28 4.376 -4.117 -11.631 1.00 0.00 C ATOM 440 C PRO A 28 5.614 -4.990 -11.819 1.00 0.00 C ATOM 441 O PRO A 28 5.687 -5.786 -12.755 1.00 0.00 O ATOM 442 CB PRO A 28 3.588 -4.026 -12.939 1.00 0.00 C ATOM 443 CG PRO A 28 4.075 -2.778 -13.586 1.00 0.00 C ATOM 444 CD PRO A 28 4.382 -1.824 -12.465 1.00 0.00 C ATOM 0 HA PRO A 28 3.833 -4.586 -10.810 1.00 0.00 H new ATOM 0 HB2 PRO A 28 3.767 -4.896 -13.571 1.00 0.00 H new ATOM 0 HB3 PRO A 28 2.515 -3.983 -12.753 1.00 0.00 H new ATOM 0 HG2 PRO A 28 4.963 -2.971 -14.188 1.00 0.00 H new ATOM 0 HG3 PRO A 28 3.320 -2.365 -14.255 1.00 0.00 H new ATOM 0 HD2 PRO A 28 5.224 -1.176 -12.709 1.00 0.00 H new ATOM 0 HD3 PRO A 28 3.533 -1.176 -12.246 1.00 0.00 H new ATOM 452 N GLY A 29 6.580 -4.841 -10.922 1.00 0.00 N ATOM 453 CA GLY A 29 7.794 -5.627 -11.005 1.00 0.00 C ATOM 454 C GLY A 29 8.607 -5.578 -9.726 1.00 0.00 C ATOM 455 O GLY A 29 9.775 -5.969 -9.713 1.00 0.00 O ATOM 0 H GLY A 29 6.544 -4.189 -10.138 1.00 0.00 H new ATOM 0 HA2 GLY A 29 7.538 -6.662 -11.229 1.00 0.00 H new ATOM 0 HA3 GLY A 29 8.403 -5.263 -11.833 1.00 0.00 H new ATOM 459 N ILE A 30 7.999 -5.089 -8.645 1.00 0.00 N ATOM 460 CA ILE A 30 8.685 -4.989 -7.379 1.00 0.00 C ATOM 461 C ILE A 30 8.588 -6.286 -6.598 1.00 0.00 C ATOM 462 O ILE A 30 8.522 -7.374 -7.172 1.00 0.00 O ATOM 463 CB ILE A 30 8.142 -3.819 -6.527 1.00 0.00 C ATOM 464 CG1 ILE A 30 6.786 -4.149 -5.885 1.00 0.00 C ATOM 465 CG2 ILE A 30 8.025 -2.583 -7.378 1.00 0.00 C ATOM 466 CD1 ILE A 30 6.156 -2.980 -5.150 1.00 0.00 C ATOM 0 H ILE A 30 7.034 -4.759 -8.632 1.00 0.00 H new ATOM 0 HA ILE A 30 9.734 -4.792 -7.601 1.00 0.00 H new ATOM 0 HB ILE A 30 8.849 -3.644 -5.716 1.00 0.00 H new ATOM 0 HG12 ILE A 30 6.101 -4.490 -6.661 1.00 0.00 H new ATOM 0 HG13 ILE A 30 6.916 -4.977 -5.188 1.00 0.00 H new ATOM 0 HG21 ILE A 30 7.642 -1.760 -6.774 1.00 0.00 H new ATOM 0 HG22 ILE A 30 9.006 -2.318 -7.772 1.00 0.00 H new ATOM 0 HG23 ILE A 30 7.342 -2.774 -8.206 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.202 -3.290 -4.724 1.00 0.00 H new ATOM 0 HD12 ILE A 30 6.821 -2.652 -4.351 1.00 0.00 H new ATOM 0 HD13 ILE A 30 5.992 -2.158 -5.847 1.00 0.00 H new ATOM 478 N LYS A 31 8.604 -6.158 -5.290 1.00 0.00 N ATOM 479 CA LYS A 31 8.547 -7.274 -4.405 1.00 0.00 C ATOM 480 C LYS A 31 8.036 -6.830 -3.055 1.00 0.00 C ATOM 481 O LYS A 31 8.175 -5.675 -2.665 1.00 0.00 O ATOM 482 CB LYS A 31 9.940 -7.878 -4.293 1.00 0.00 C ATOM 483 CG LYS A 31 10.926 -7.027 -3.509 1.00 0.00 C ATOM 484 CD LYS A 31 12.204 -7.794 -3.203 1.00 0.00 C ATOM 485 CE LYS A 31 13.436 -6.927 -3.403 1.00 0.00 C ATOM 486 NZ LYS A 31 14.636 -7.738 -3.749 1.00 0.00 N ATOM 0 H LYS A 31 8.658 -5.257 -4.815 1.00 0.00 H new ATOM 0 HA LYS A 31 7.862 -8.030 -4.790 1.00 0.00 H new ATOM 0 HB2 LYS A 31 9.863 -8.856 -3.818 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.335 -8.041 -5.296 1.00 0.00 H new ATOM 0 HG2 LYS A 31 11.167 -6.129 -4.078 1.00 0.00 H new ATOM 0 HG3 LYS A 31 10.465 -6.699 -2.577 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.175 -8.155 -2.175 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.266 -8.671 -3.848 1.00 0.00 H new ATOM 0 HE2 LYS A 31 13.246 -6.204 -4.196 1.00 0.00 H new ATOM 0 HE3 LYS A 31 13.632 -6.359 -2.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 15.455 -7.109 -3.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 14.833 -8.411 -2.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 14.459 -8.261 -4.631 1.00 0.00 H new ATOM 500 N VAL A 32 7.462 -7.776 -2.357 1.00 0.00 N ATOM 501 CA VAL A 32 6.923 -7.579 -1.025 1.00 0.00 C ATOM 502 C VAL A 32 7.740 -6.579 -0.203 1.00 0.00 C ATOM 503 O VAL A 32 7.206 -5.855 0.638 1.00 0.00 O ATOM 504 CB VAL A 32 6.911 -8.940 -0.301 1.00 0.00 C ATOM 505 CG1 VAL A 32 7.505 -10.028 -1.187 1.00 0.00 C ATOM 506 CG2 VAL A 32 7.664 -8.878 1.011 1.00 0.00 C ATOM 0 H VAL A 32 7.351 -8.729 -2.702 1.00 0.00 H new ATOM 0 HA VAL A 32 5.918 -7.170 -1.124 1.00 0.00 H new ATOM 0 HB VAL A 32 5.871 -9.184 -0.086 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.487 -10.980 -0.656 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.919 -10.112 -2.103 1.00 0.00 H new ATOM 0 HG13 VAL A 32 8.535 -9.772 -1.437 1.00 0.00 H new ATOM 0 HG21 VAL A 32 7.635 -9.855 1.494 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.700 -8.597 0.823 1.00 0.00 H new ATOM 0 HG23 VAL A 32 7.200 -8.137 1.662 1.00 0.00 H new ATOM 516 N THR A 33 9.040 -6.589 -0.434 1.00 0.00 N ATOM 517 CA THR A 33 9.971 -5.727 0.301 1.00 0.00 C ATOM 518 C THR A 33 10.012 -4.298 -0.237 1.00 0.00 C ATOM 519 O THR A 33 10.296 -3.358 0.509 1.00 0.00 O ATOM 520 CB THR A 33 11.377 -6.328 0.276 1.00 0.00 C ATOM 521 OG1 THR A 33 11.957 -6.196 -1.009 1.00 0.00 O ATOM 522 CG2 THR A 33 11.404 -7.795 0.647 1.00 0.00 C ATOM 0 H THR A 33 9.486 -7.187 -1.129 1.00 0.00 H new ATOM 0 HA THR A 33 9.604 -5.674 1.326 1.00 0.00 H new ATOM 0 HB THR A 33 11.945 -5.771 1.021 1.00 0.00 H new ATOM 0 HG1 THR A 33 12.443 -5.347 -1.063 1.00 0.00 H new ATOM 0 HG21 THR A 33 12.430 -8.161 0.610 1.00 0.00 H new ATOM 0 HG22 THR A 33 11.009 -7.923 1.655 1.00 0.00 H new ATOM 0 HG23 THR A 33 10.792 -8.360 -0.057 1.00 0.00 H new ATOM 530 N GLU A 34 9.699 -4.119 -1.512 1.00 0.00 N ATOM 531 CA GLU A 34 9.682 -2.788 -2.104 1.00 0.00 C ATOM 532 C GLU A 34 8.330 -2.131 -1.848 1.00 0.00 C ATOM 533 O GLU A 34 8.195 -0.911 -1.909 1.00 0.00 O ATOM 534 CB GLU A 34 9.971 -2.873 -3.609 1.00 0.00 C ATOM 535 CG GLU A 34 9.319 -1.770 -4.433 1.00 0.00 C ATOM 536 CD GLU A 34 10.145 -1.376 -5.643 1.00 0.00 C ATOM 537 OE1 GLU A 34 11.278 -1.883 -5.781 1.00 0.00 O ATOM 538 OE2 GLU A 34 9.658 -0.560 -6.454 1.00 0.00 O ATOM 0 H GLU A 34 9.455 -4.873 -2.154 1.00 0.00 H new ATOM 0 HA GLU A 34 10.460 -2.179 -1.644 1.00 0.00 H new ATOM 0 HB2 GLU A 34 11.049 -2.837 -3.763 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.628 -3.839 -3.980 1.00 0.00 H new ATOM 0 HG2 GLU A 34 8.335 -2.102 -4.763 1.00 0.00 H new ATOM 0 HG3 GLU A 34 9.165 -0.894 -3.803 1.00 0.00 H new ATOM 545 N ILE A 35 7.337 -2.954 -1.549 1.00 0.00 N ATOM 546 CA ILE A 35 6.007 -2.461 -1.268 1.00 0.00 C ATOM 547 C ILE A 35 5.987 -1.826 0.108 1.00 0.00 C ATOM 548 O ILE A 35 5.524 -0.699 0.292 1.00 0.00 O ATOM 549 CB ILE A 35 4.958 -3.588 -1.300 1.00 0.00 C ATOM 550 CG1 ILE A 35 5.143 -4.482 -2.524 1.00 0.00 C ATOM 551 CG2 ILE A 35 3.561 -3.000 -1.286 1.00 0.00 C ATOM 552 CD1 ILE A 35 4.468 -5.828 -2.381 1.00 0.00 C ATOM 0 H ILE A 35 7.432 -3.968 -1.496 1.00 0.00 H new ATOM 0 HA ILE A 35 5.756 -1.733 -2.039 1.00 0.00 H new ATOM 0 HB ILE A 35 5.095 -4.204 -0.411 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.744 -3.973 -3.402 1.00 0.00 H new ATOM 0 HG13 ILE A 35 6.208 -4.633 -2.699 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.827 -3.805 -1.309 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.424 -2.410 -0.380 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.426 -2.361 -2.159 1.00 0.00 H new ATOM 0 HD11 ILE A 35 4.636 -6.417 -3.283 1.00 0.00 H new ATOM 0 HD12 ILE A 35 4.884 -6.354 -1.522 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.397 -5.684 -2.235 1.00 0.00 H new ATOM 564 N ALA A 36 6.499 -2.576 1.074 1.00 0.00 N ATOM 565 CA ALA A 36 6.549 -2.125 2.448 1.00 0.00 C ATOM 566 C ALA A 36 7.578 -1.018 2.650 1.00 0.00 C ATOM 567 O ALA A 36 7.474 -0.235 3.595 1.00 0.00 O ATOM 568 CB ALA A 36 6.848 -3.296 3.372 1.00 0.00 C ATOM 0 H ALA A 36 6.888 -3.507 0.924 1.00 0.00 H new ATOM 0 HA ALA A 36 5.571 -1.710 2.693 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.883 -2.946 4.404 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.066 -4.048 3.271 1.00 0.00 H new ATOM 0 HB3 ALA A 36 7.809 -3.734 3.104 1.00 0.00 H new ATOM 574 N LYS A 37 8.581 -0.957 1.777 1.00 0.00 N ATOM 575 CA LYS A 37 9.623 0.055 1.899 1.00 0.00 C ATOM 576 C LYS A 37 9.303 1.299 1.078 1.00 0.00 C ATOM 577 O LYS A 37 9.345 2.424 1.593 1.00 0.00 O ATOM 578 CB LYS A 37 10.971 -0.522 1.461 1.00 0.00 C ATOM 579 CG LYS A 37 12.147 0.399 1.741 1.00 0.00 C ATOM 580 CD LYS A 37 12.498 1.240 0.524 1.00 0.00 C ATOM 581 CE LYS A 37 13.149 2.554 0.924 1.00 0.00 C ATOM 582 NZ LYS A 37 13.981 3.120 -0.175 1.00 0.00 N ATOM 0 H LYS A 37 8.693 -1.590 0.985 1.00 0.00 H new ATOM 0 HA LYS A 37 9.674 0.350 2.947 1.00 0.00 H new ATOM 0 HB2 LYS A 37 11.134 -1.471 1.972 1.00 0.00 H new ATOM 0 HB3 LYS A 37 10.935 -0.737 0.393 1.00 0.00 H new ATOM 0 HG2 LYS A 37 11.907 1.053 2.579 1.00 0.00 H new ATOM 0 HG3 LYS A 37 13.012 -0.194 2.037 1.00 0.00 H new ATOM 0 HD2 LYS A 37 13.173 0.681 -0.124 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.596 1.441 -0.053 1.00 0.00 H new ATOM 0 HE2 LYS A 37 12.377 3.272 1.201 1.00 0.00 H new ATOM 0 HE3 LYS A 37 13.770 2.398 1.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 14.407 4.016 0.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 14.734 2.446 -0.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 13.384 3.294 -1.008 1.00 0.00 H new ATOM 596 N LYS A 38 8.979 1.106 -0.198 1.00 0.00 N ATOM 597 CA LYS A 38 8.660 2.221 -1.073 1.00 0.00 C ATOM 598 C LYS A 38 7.333 2.864 -0.689 1.00 0.00 C ATOM 599 O LYS A 38 7.013 3.961 -1.146 1.00 0.00 O ATOM 600 CB LYS A 38 8.632 1.760 -2.533 1.00 0.00 C ATOM 601 CG LYS A 38 7.253 1.358 -3.040 1.00 0.00 C ATOM 602 CD LYS A 38 6.485 2.558 -3.573 1.00 0.00 C ATOM 603 CE LYS A 38 6.338 2.500 -5.086 1.00 0.00 C ATOM 604 NZ LYS A 38 7.310 3.395 -5.774 1.00 0.00 N ATOM 0 H LYS A 38 8.932 0.190 -0.644 1.00 0.00 H new ATOM 0 HA LYS A 38 9.440 2.974 -0.958 1.00 0.00 H new ATOM 0 HB2 LYS A 38 9.017 2.563 -3.162 1.00 0.00 H new ATOM 0 HB3 LYS A 38 9.309 0.913 -2.647 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.357 0.612 -3.828 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.688 0.892 -2.232 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.498 2.593 -3.112 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.001 3.476 -3.292 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.485 1.475 -5.426 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.323 2.785 -5.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 7.177 3.326 -6.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 7.153 4.377 -5.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 8.279 3.107 -5.530 1.00 0.00 H new ATOM 618 N GLY A 39 6.572 2.191 0.165 1.00 0.00 N ATOM 619 CA GLY A 39 5.318 2.740 0.594 1.00 0.00 C ATOM 620 C GLY A 39 5.494 3.611 1.818 1.00 0.00 C ATOM 621 O GLY A 39 4.926 4.695 1.914 1.00 0.00 O ATOM 0 H GLY A 39 6.806 1.281 0.561 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.879 3.327 -0.213 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.621 1.932 0.816 1.00 0.00 H new ATOM 625 N GLY A 40 6.286 3.131 2.759 1.00 0.00 N ATOM 626 CA GLY A 40 6.532 3.876 3.980 1.00 0.00 C ATOM 627 C GLY A 40 7.072 5.259 3.703 1.00 0.00 C ATOM 628 O GLY A 40 6.683 6.227 4.350 1.00 0.00 O ATOM 0 H GLY A 40 6.768 2.234 2.702 1.00 0.00 H new ATOM 0 HA2 GLY A 40 5.605 3.956 4.548 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.240 3.329 4.602 1.00 0.00 H new ATOM 632 N GLU A 41 7.969 5.352 2.731 1.00 0.00 N ATOM 633 CA GLU A 41 8.559 6.634 2.360 1.00 0.00 C ATOM 634 C GLU A 41 7.474 7.633 1.970 1.00 0.00 C ATOM 635 O GLU A 41 7.477 8.783 2.408 1.00 0.00 O ATOM 636 CB GLU A 41 9.515 6.442 1.187 1.00 0.00 C ATOM 637 CG GLU A 41 8.858 5.769 -0.009 1.00 0.00 C ATOM 638 CD GLU A 41 9.850 5.410 -1.097 1.00 0.00 C ATOM 639 OE1 GLU A 41 10.875 4.769 -0.778 1.00 0.00 O ATOM 640 OE2 GLU A 41 9.604 5.769 -2.268 1.00 0.00 O ATOM 0 H GLU A 41 8.304 4.558 2.185 1.00 0.00 H new ATOM 0 HA GLU A 41 9.104 7.024 3.219 1.00 0.00 H new ATOM 0 HB2 GLU A 41 9.907 7.412 0.882 1.00 0.00 H new ATOM 0 HB3 GLU A 41 10.366 5.843 1.512 1.00 0.00 H new ATOM 0 HG2 GLU A 41 8.347 4.865 0.323 1.00 0.00 H new ATOM 0 HG3 GLU A 41 8.097 6.432 -0.421 1.00 0.00 H new ATOM 647 N MET A 42 6.551 7.169 1.141 1.00 0.00 N ATOM 648 CA MET A 42 5.443 7.988 0.668 1.00 0.00 C ATOM 649 C MET A 42 4.383 8.126 1.745 1.00 0.00 C ATOM 650 O MET A 42 3.723 9.158 1.863 1.00 0.00 O ATOM 651 CB MET A 42 4.831 7.349 -0.568 1.00 0.00 C ATOM 652 CG MET A 42 4.470 5.893 -0.354 1.00 0.00 C ATOM 653 SD MET A 42 3.798 5.126 -1.836 1.00 0.00 S ATOM 654 CE MET A 42 2.166 4.702 -1.253 1.00 0.00 C ATOM 0 H MET A 42 6.548 6.216 0.777 1.00 0.00 H new ATOM 0 HA MET A 42 5.822 8.980 0.422 1.00 0.00 H new ATOM 0 HB2 MET A 42 3.937 7.903 -0.854 1.00 0.00 H new ATOM 0 HB3 MET A 42 5.533 7.427 -1.398 1.00 0.00 H new ATOM 0 HG2 MET A 42 5.357 5.345 -0.035 1.00 0.00 H new ATOM 0 HG3 MET A 42 3.741 5.817 0.453 1.00 0.00 H new ATOM 0 HE1 MET A 42 1.475 4.672 -2.095 1.00 0.00 H new ATOM 0 HE2 MET A 42 2.194 3.724 -0.772 1.00 0.00 H new ATOM 0 HE3 MET A 42 1.830 5.450 -0.535 1.00 0.00 H new ATOM 664 N TRP A 43 4.228 7.069 2.529 1.00 0.00 N ATOM 665 CA TRP A 43 3.265 7.035 3.600 1.00 0.00 C ATOM 666 C TRP A 43 3.569 8.091 4.665 1.00 0.00 C ATOM 667 O TRP A 43 2.707 8.902 5.005 1.00 0.00 O ATOM 668 CB TRP A 43 3.281 5.620 4.159 1.00 0.00 C ATOM 669 CG TRP A 43 3.069 5.489 5.613 1.00 0.00 C ATOM 670 CD1 TRP A 43 4.016 5.391 6.570 1.00 0.00 C ATOM 671 CD2 TRP A 43 1.815 5.388 6.253 1.00 0.00 C ATOM 672 NE1 TRP A 43 3.416 5.233 7.801 1.00 0.00 N ATOM 673 CE2 TRP A 43 2.052 5.227 7.623 1.00 0.00 C ATOM 674 CE3 TRP A 43 0.515 5.422 5.781 1.00 0.00 C ATOM 675 CZ2 TRP A 43 1.010 5.093 8.536 1.00 0.00 C ATOM 676 CZ3 TRP A 43 -0.521 5.292 6.676 1.00 0.00 C ATOM 677 CH2 TRP A 43 -0.272 5.126 8.043 1.00 0.00 C ATOM 0 H TRP A 43 4.773 6.212 2.433 1.00 0.00 H new ATOM 0 HA TRP A 43 2.267 7.281 3.236 1.00 0.00 H new ATOM 0 HB2 TRP A 43 2.512 5.041 3.648 1.00 0.00 H new ATOM 0 HB3 TRP A 43 4.240 5.165 3.911 1.00 0.00 H new ATOM 0 HD1 TRP A 43 5.081 5.430 6.398 1.00 0.00 H new ATOM 0 HE1 TRP A 43 3.901 5.137 8.693 1.00 0.00 H new ATOM 0 HE3 TRP A 43 0.317 5.549 4.727 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 1.202 4.968 9.591 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -1.540 5.318 6.319 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -1.104 5.022 8.724 1.00 0.00 H new ATOM 688 N LYS A 44 4.788 8.067 5.200 1.00 0.00 N ATOM 689 CA LYS A 44 5.201 9.011 6.240 1.00 0.00 C ATOM 690 C LYS A 44 4.701 10.434 5.974 1.00 0.00 C ATOM 691 O LYS A 44 4.083 11.052 6.841 1.00 0.00 O ATOM 692 CB LYS A 44 6.727 9.013 6.365 1.00 0.00 C ATOM 693 CG LYS A 44 7.241 8.197 7.538 1.00 0.00 C ATOM 694 CD LYS A 44 8.574 7.540 7.218 1.00 0.00 C ATOM 695 CE LYS A 44 8.860 6.375 8.153 1.00 0.00 C ATOM 696 NZ LYS A 44 9.763 6.768 9.270 1.00 0.00 N ATOM 0 H LYS A 44 5.511 7.401 4.930 1.00 0.00 H new ATOM 0 HA LYS A 44 4.749 8.678 7.174 1.00 0.00 H new ATOM 0 HB2 LYS A 44 7.159 8.622 5.444 1.00 0.00 H new ATOM 0 HB3 LYS A 44 7.074 10.041 6.469 1.00 0.00 H new ATOM 0 HG2 LYS A 44 7.352 8.841 8.410 1.00 0.00 H new ATOM 0 HG3 LYS A 44 6.510 7.431 7.798 1.00 0.00 H new ATOM 0 HD2 LYS A 44 8.569 7.187 6.187 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.373 8.277 7.299 1.00 0.00 H new ATOM 0 HE2 LYS A 44 7.922 5.998 8.560 1.00 0.00 H new ATOM 0 HE3 LYS A 44 9.314 5.560 7.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 9.933 5.946 9.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 10.668 7.104 8.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 9.319 7.528 9.824 1.00 0.00 H new ATOM 710 N GLU A 45 4.987 10.958 4.785 1.00 0.00 N ATOM 711 CA GLU A 45 4.576 12.318 4.434 1.00 0.00 C ATOM 712 C GLU A 45 3.258 12.335 3.662 1.00 0.00 C ATOM 713 O GLU A 45 3.024 13.221 2.841 1.00 0.00 O ATOM 714 CB GLU A 45 5.668 12.999 3.606 1.00 0.00 C ATOM 715 CG GLU A 45 6.178 12.148 2.455 1.00 0.00 C ATOM 716 CD GLU A 45 7.066 12.926 1.503 1.00 0.00 C ATOM 717 OE1 GLU A 45 6.616 13.977 0.998 1.00 0.00 O ATOM 718 OE2 GLU A 45 8.209 12.485 1.263 1.00 0.00 O ATOM 0 H GLU A 45 5.498 10.467 4.052 1.00 0.00 H new ATOM 0 HA GLU A 45 4.424 12.864 5.365 1.00 0.00 H new ATOM 0 HB2 GLU A 45 5.280 13.937 3.209 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.504 13.251 4.259 1.00 0.00 H new ATOM 0 HG2 GLU A 45 6.735 11.300 2.854 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.329 11.742 1.904 1.00 0.00 H new ATOM 725 N LEU A 46 2.403 11.352 3.923 1.00 0.00 N ATOM 726 CA LEU A 46 1.118 11.274 3.237 1.00 0.00 C ATOM 727 C LEU A 46 -0.012 11.742 4.168 1.00 0.00 C ATOM 728 O LEU A 46 0.057 11.546 5.381 1.00 0.00 O ATOM 729 CB LEU A 46 0.923 9.848 2.687 1.00 0.00 C ATOM 730 CG LEU A 46 -0.349 9.113 3.096 1.00 0.00 C ATOM 731 CD1 LEU A 46 -0.633 7.973 2.136 1.00 0.00 C ATOM 732 CD2 LEU A 46 -0.224 8.587 4.510 1.00 0.00 C ATOM 0 H LEU A 46 2.573 10.606 4.597 1.00 0.00 H new ATOM 0 HA LEU A 46 1.095 11.949 2.382 1.00 0.00 H new ATOM 0 HB2 LEU A 46 0.949 9.899 1.598 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.777 9.246 2.998 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.181 9.816 3.058 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.544 7.458 2.442 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.760 8.369 1.128 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.201 7.271 2.147 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.140 8.065 4.786 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.618 7.897 4.569 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.060 9.419 5.195 1.00 0.00 H new ATOM 744 N LYS A 47 -1.037 12.391 3.599 1.00 0.00 N ATOM 745 CA LYS A 47 -2.159 12.914 4.391 1.00 0.00 C ATOM 746 C LYS A 47 -3.322 11.935 4.445 1.00 0.00 C ATOM 747 O LYS A 47 -4.431 12.288 4.843 1.00 0.00 O ATOM 748 CB LYS A 47 -2.631 14.252 3.821 1.00 0.00 C ATOM 749 CG LYS A 47 -1.546 15.317 3.789 1.00 0.00 C ATOM 750 CD LYS A 47 -0.887 15.398 2.422 1.00 0.00 C ATOM 751 CE LYS A 47 -1.846 15.932 1.371 1.00 0.00 C ATOM 752 NZ LYS A 47 -1.655 17.391 1.135 1.00 0.00 N ATOM 0 H LYS A 47 -1.113 12.566 2.597 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.799 13.059 5.410 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.004 14.095 2.809 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.468 14.616 4.416 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.977 16.285 4.045 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.793 15.094 4.545 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -0.010 16.043 2.477 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -0.536 14.409 2.127 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.699 15.391 0.436 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.872 15.747 1.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.328 17.717 0.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.820 17.911 2.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.683 17.565 0.808 1.00 0.00 H new ATOM 766 N ASP A 48 -3.044 10.700 4.087 1.00 0.00 N ATOM 767 CA ASP A 48 -4.033 9.644 4.131 1.00 0.00 C ATOM 768 C ASP A 48 -3.769 8.776 5.356 1.00 0.00 C ATOM 769 O ASP A 48 -4.568 7.913 5.704 1.00 0.00 O ATOM 770 CB ASP A 48 -3.976 8.801 2.854 1.00 0.00 C ATOM 771 CG ASP A 48 -5.350 8.555 2.261 1.00 0.00 C ATOM 772 OD1 ASP A 48 -6.072 9.542 2.008 1.00 0.00 O ATOM 773 OD2 ASP A 48 -5.702 7.376 2.047 1.00 0.00 O ATOM 0 H ASP A 48 -2.127 10.399 3.757 1.00 0.00 H new ATOM 0 HA ASP A 48 -5.030 10.080 4.199 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.350 9.305 2.117 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.502 7.845 3.074 1.00 0.00 H new ATOM 778 N LYS A 49 -2.629 9.035 6.004 1.00 0.00 N ATOM 779 CA LYS A 49 -2.219 8.309 7.199 1.00 0.00 C ATOM 780 C LYS A 49 -2.874 8.901 8.438 1.00 0.00 C ATOM 781 O LYS A 49 -3.039 8.219 9.449 1.00 0.00 O ATOM 782 CB LYS A 49 -0.698 8.358 7.336 1.00 0.00 C ATOM 783 CG LYS A 49 -0.185 7.931 8.692 1.00 0.00 C ATOM 784 CD LYS A 49 0.303 9.120 9.500 1.00 0.00 C ATOM 785 CE LYS A 49 1.507 9.768 8.836 1.00 0.00 C ATOM 786 NZ LYS A 49 2.193 10.729 9.742 1.00 0.00 N ATOM 0 H LYS A 49 -1.968 9.755 5.711 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.539 7.271 7.104 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.255 7.717 6.574 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -0.359 9.374 7.135 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.978 7.419 9.238 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.628 7.216 8.566 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.499 9.851 9.600 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.568 8.797 10.507 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.211 8.995 8.528 1.00 0.00 H new ATOM 0 HE3 LYS A 49 1.187 10.287 7.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.008 11.148 9.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 1.530 11.481 10.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.521 10.230 10.593 1.00 0.00 H new ATOM 800 N SER A 50 -3.291 10.158 8.341 1.00 0.00 N ATOM 801 CA SER A 50 -3.974 10.806 9.444 1.00 0.00 C ATOM 802 C SER A 50 -5.389 10.261 9.504 1.00 0.00 C ATOM 803 O SER A 50 -5.978 10.113 10.575 1.00 0.00 O ATOM 804 CB SER A 50 -3.994 12.325 9.256 1.00 0.00 C ATOM 805 OG SER A 50 -4.615 12.968 10.356 1.00 0.00 O ATOM 0 H SER A 50 -3.167 10.742 7.514 1.00 0.00 H new ATOM 0 HA SER A 50 -3.449 10.600 10.377 1.00 0.00 H new ATOM 0 HB2 SER A 50 -2.975 12.694 9.144 1.00 0.00 H new ATOM 0 HB3 SER A 50 -4.526 12.574 8.338 1.00 0.00 H new ATOM 0 HG SER A 50 -4.613 13.937 10.212 1.00 0.00 H new ATOM 811 N LYS A 51 -5.912 9.941 8.323 1.00 0.00 N ATOM 812 CA LYS A 51 -7.252 9.381 8.202 1.00 0.00 C ATOM 813 C LYS A 51 -7.198 7.852 8.154 1.00 0.00 C ATOM 814 O LYS A 51 -8.216 7.183 8.327 1.00 0.00 O ATOM 815 CB LYS A 51 -7.954 9.923 6.954 1.00 0.00 C ATOM 816 CG LYS A 51 -7.081 9.923 5.711 1.00 0.00 C ATOM 817 CD LYS A 51 -7.831 9.386 4.502 1.00 0.00 C ATOM 818 CE LYS A 51 -7.504 7.924 4.247 1.00 0.00 C ATOM 819 NZ LYS A 51 -8.414 7.012 4.995 1.00 0.00 N ATOM 0 H LYS A 51 -5.425 10.061 7.435 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.823 9.681 9.081 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.845 9.325 6.761 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -8.290 10.941 7.151 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -6.738 10.937 5.506 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -6.193 9.316 5.889 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -8.904 9.498 4.659 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -7.575 9.976 3.622 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -7.579 7.716 3.180 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -6.472 7.727 4.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -7.974 6.073 5.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -8.587 7.397 5.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -9.317 6.928 4.486 1.00 0.00 H new ATOM 833 N TRP A 52 -6.002 7.303 7.929 1.00 0.00 N ATOM 834 CA TRP A 52 -5.823 5.853 7.870 1.00 0.00 C ATOM 835 C TRP A 52 -5.391 5.310 9.226 1.00 0.00 C ATOM 836 O TRP A 52 -5.876 4.276 9.674 1.00 0.00 O ATOM 837 CB TRP A 52 -4.785 5.474 6.813 1.00 0.00 C ATOM 838 CG TRP A 52 -5.384 5.144 5.479 1.00 0.00 C ATOM 839 CD1 TRP A 52 -4.992 5.624 4.264 1.00 0.00 C ATOM 840 CD2 TRP A 52 -6.483 4.259 5.225 1.00 0.00 C ATOM 841 NE1 TRP A 52 -5.778 5.095 3.270 1.00 0.00 N ATOM 842 CE2 TRP A 52 -6.701 4.254 3.834 1.00 0.00 C ATOM 843 CE3 TRP A 52 -7.303 3.471 6.038 1.00 0.00 C ATOM 844 CZ2 TRP A 52 -7.704 3.492 3.240 1.00 0.00 C ATOM 845 CZ3 TRP A 52 -8.298 2.716 5.446 1.00 0.00 C ATOM 846 CH2 TRP A 52 -8.491 2.730 4.059 1.00 0.00 C ATOM 0 H TRP A 52 -5.147 7.840 7.785 1.00 0.00 H new ATOM 0 HA TRP A 52 -6.781 5.411 7.597 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -4.082 6.299 6.693 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -4.213 4.617 7.168 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -4.181 6.319 4.106 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -5.689 5.296 2.274 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -7.162 3.453 7.109 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -7.855 3.502 2.171 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -8.938 2.104 6.064 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -9.277 2.127 3.628 1.00 0.00 H new ATOM 857 N GLU A 53 -4.481 6.021 9.885 1.00 0.00 N ATOM 858 CA GLU A 53 -3.998 5.601 11.197 1.00 0.00 C ATOM 859 C GLU A 53 -5.160 5.267 12.094 1.00 0.00 C ATOM 860 O GLU A 53 -5.104 4.326 12.884 1.00 0.00 O ATOM 861 CB GLU A 53 -3.178 6.699 11.866 1.00 0.00 C ATOM 862 CG GLU A 53 -1.732 6.715 11.443 1.00 0.00 C ATOM 863 CD GLU A 53 -0.780 6.417 12.585 1.00 0.00 C ATOM 864 OE1 GLU A 53 -1.159 5.640 13.488 1.00 0.00 O ATOM 865 OE2 GLU A 53 0.346 6.960 12.578 1.00 0.00 O ATOM 0 H GLU A 53 -4.065 6.885 9.536 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.368 4.725 11.046 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.626 7.666 11.637 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.230 6.572 12.947 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.582 5.981 10.651 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.492 7.692 11.022 1.00 0.00 H new ATOM 872 N ASP A 54 -6.218 6.054 11.975 1.00 0.00 N ATOM 873 CA ASP A 54 -7.385 5.838 12.790 1.00 0.00 C ATOM 874 C ASP A 54 -7.907 4.446 12.589 1.00 0.00 C ATOM 875 O ASP A 54 -8.317 3.796 13.540 1.00 0.00 O ATOM 876 CB ASP A 54 -8.469 6.882 12.515 1.00 0.00 C ATOM 877 CG ASP A 54 -8.754 7.044 11.036 1.00 0.00 C ATOM 878 OD1 ASP A 54 -9.035 6.026 10.369 1.00 0.00 O ATOM 879 OD2 ASP A 54 -8.698 8.191 10.543 1.00 0.00 O ATOM 0 H ASP A 54 -6.285 6.838 11.326 1.00 0.00 H new ATOM 0 HA ASP A 54 -7.093 5.951 13.834 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -9.386 6.594 13.029 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -8.159 7.841 12.930 1.00 0.00 H new ATOM 884 N ALA A 55 -7.836 3.956 11.371 1.00 0.00 N ATOM 885 CA ALA A 55 -8.256 2.601 11.122 1.00 0.00 C ATOM 886 C ALA A 55 -7.440 1.691 12.031 1.00 0.00 C ATOM 887 O ALA A 55 -7.962 0.762 12.647 1.00 0.00 O ATOM 888 CB ALA A 55 -8.059 2.240 9.659 1.00 0.00 C ATOM 0 H ALA A 55 -7.498 4.466 10.555 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.318 2.484 11.336 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.382 1.213 9.491 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.649 2.912 9.036 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.005 2.336 9.399 1.00 0.00 H new ATOM 894 N ALA A 56 -6.130 1.941 12.056 1.00 0.00 N ATOM 895 CA ALA A 56 -5.183 1.137 12.823 1.00 0.00 C ATOM 896 C ALA A 56 -5.416 1.204 14.326 1.00 0.00 C ATOM 897 O ALA A 56 -5.635 0.178 14.972 1.00 0.00 O ATOM 898 CB ALA A 56 -3.764 1.590 12.526 1.00 0.00 C ATOM 0 H ALA A 56 -5.697 2.709 11.543 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.337 0.103 12.515 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.062 0.987 13.101 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.559 1.470 11.462 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.652 2.639 12.801 1.00 0.00 H new ATOM 904 N ALA A 57 -5.365 2.412 14.885 1.00 0.00 N ATOM 905 CA ALA A 57 -5.570 2.586 16.322 1.00 0.00 C ATOM 906 C ALA A 57 -6.989 2.198 16.732 1.00 0.00 C ATOM 907 O ALA A 57 -7.242 1.852 17.881 1.00 0.00 O ATOM 908 CB ALA A 57 -5.277 4.024 16.725 1.00 0.00 C ATOM 0 H ALA A 57 -5.186 3.275 14.372 1.00 0.00 H new ATOM 0 HA ALA A 57 -4.879 1.923 16.843 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.433 4.140 17.797 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -4.243 4.267 16.481 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.945 4.696 16.186 1.00 0.00 H new ATOM 914 N LYS A 58 -7.906 2.280 15.780 1.00 0.00 N ATOM 915 CA LYS A 58 -9.307 1.955 16.033 1.00 0.00 C ATOM 916 C LYS A 58 -9.565 0.453 15.936 1.00 0.00 C ATOM 917 O LYS A 58 -10.388 -0.089 16.677 1.00 0.00 O ATOM 918 CB LYS A 58 -10.233 2.725 15.079 1.00 0.00 C ATOM 919 CG LYS A 58 -10.497 2.027 13.753 1.00 0.00 C ATOM 920 CD LYS A 58 -11.602 2.718 12.971 1.00 0.00 C ATOM 921 CE LYS A 58 -11.159 4.084 12.470 1.00 0.00 C ATOM 922 NZ LYS A 58 -12.297 5.039 12.382 1.00 0.00 N ATOM 0 H LYS A 58 -7.707 2.569 14.822 1.00 0.00 H new ATOM 0 HA LYS A 58 -9.530 2.264 17.054 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -11.186 2.898 15.579 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -9.795 3.703 14.879 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -9.583 2.014 13.159 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -10.774 0.989 13.936 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -11.894 2.096 12.125 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -12.482 2.829 13.604 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -10.398 4.487 13.139 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -10.697 3.978 11.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -11.953 5.958 12.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -13.012 4.667 11.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -12.722 5.160 13.323 1.00 0.00 H new ATOM 936 N ASP A 59 -8.877 -0.220 15.019 1.00 0.00 N ATOM 937 CA ASP A 59 -9.072 -1.651 14.842 1.00 0.00 C ATOM 938 C ASP A 59 -8.277 -2.451 15.862 1.00 0.00 C ATOM 939 O ASP A 59 -8.743 -3.486 16.332 1.00 0.00 O ATOM 940 CB ASP A 59 -8.693 -2.073 13.417 1.00 0.00 C ATOM 941 CG ASP A 59 -9.124 -3.492 13.101 1.00 0.00 C ATOM 942 OD1 ASP A 59 -9.378 -4.261 14.051 1.00 0.00 O ATOM 943 OD2 ASP A 59 -9.207 -3.834 11.902 1.00 0.00 O ATOM 0 H ASP A 59 -8.188 0.198 14.394 1.00 0.00 H new ATOM 0 HA ASP A 59 -10.129 -1.864 15.002 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -9.153 -1.389 12.704 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -7.614 -1.987 13.290 1.00 0.00 H new ATOM 948 N LYS A 60 -7.086 -1.980 16.217 1.00 0.00 N ATOM 949 CA LYS A 60 -6.279 -2.689 17.198 1.00 0.00 C ATOM 950 C LYS A 60 -6.955 -2.595 18.556 1.00 0.00 C ATOM 951 O LYS A 60 -6.981 -3.550 19.332 1.00 0.00 O ATOM 952 CB LYS A 60 -4.844 -2.134 17.246 1.00 0.00 C ATOM 953 CG LYS A 60 -4.679 -0.841 18.043 1.00 0.00 C ATOM 954 CD LYS A 60 -3.525 -0.939 19.028 1.00 0.00 C ATOM 955 CE LYS A 60 -2.209 -0.527 18.389 1.00 0.00 C ATOM 956 NZ LYS A 60 -1.493 -1.688 17.793 1.00 0.00 N ATOM 0 H LYS A 60 -6.666 -1.127 15.847 1.00 0.00 H new ATOM 0 HA LYS A 60 -6.201 -3.737 16.910 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -4.191 -2.894 17.675 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -4.503 -1.960 16.225 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -4.506 -0.010 17.359 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -5.601 -0.624 18.582 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -3.727 -0.303 19.890 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -3.447 -1.962 19.397 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -2.398 0.218 17.616 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -1.574 -0.055 19.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -0.601 -1.365 17.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -1.289 -2.388 18.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -2.088 -2.124 17.060 1.00 0.00 H new ATOM 970 N GLN A 61 -7.499 -1.422 18.819 1.00 0.00 N ATOM 971 CA GLN A 61 -8.184 -1.147 20.054 1.00 0.00 C ATOM 972 C GLN A 61 -9.525 -1.842 20.086 1.00 0.00 C ATOM 973 O GLN A 61 -10.063 -2.121 21.152 1.00 0.00 O ATOM 974 CB GLN A 61 -8.369 0.348 20.253 1.00 0.00 C ATOM 975 CG GLN A 61 -7.629 0.863 21.463 1.00 0.00 C ATOM 976 CD GLN A 61 -8.531 1.611 22.424 1.00 0.00 C ATOM 977 OE1 GLN A 61 -8.847 0.978 23.547 1.00 0.00 O flip ATOM 978 NE2 GLN A 61 -8.937 2.742 22.160 1.00 0.00 N flip ATOM 0 H GLN A 61 -7.474 -0.633 18.174 1.00 0.00 H new ATOM 0 HA GLN A 61 -7.569 -1.531 20.868 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -8.020 0.876 19.365 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -9.431 0.569 20.359 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -7.165 0.026 21.984 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -6.824 1.522 21.138 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -8.667 3.189 21.284 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -9.543 3.233 22.817 1.00 0.00 H new ATOM 987 N ARG A 62 -10.068 -2.135 18.925 1.00 0.00 N ATOM 988 CA ARG A 62 -11.336 -2.815 18.879 1.00 0.00 C ATOM 989 C ARG A 62 -11.136 -4.322 18.822 1.00 0.00 C ATOM 990 O ARG A 62 -12.060 -5.092 19.086 1.00 0.00 O ATOM 991 CB ARG A 62 -12.165 -2.366 17.689 1.00 0.00 C ATOM 992 CG ARG A 62 -13.285 -3.338 17.381 1.00 0.00 C ATOM 993 CD ARG A 62 -14.102 -2.896 16.182 1.00 0.00 C ATOM 994 NE ARG A 62 -13.286 -2.800 14.975 1.00 0.00 N ATOM 995 CZ ARG A 62 -13.721 -2.290 13.825 1.00 0.00 C ATOM 996 NH1 ARG A 62 -14.963 -1.830 13.721 1.00 0.00 N ATOM 997 NH2 ARG A 62 -12.913 -2.239 12.775 1.00 0.00 N ATOM 0 H ARG A 62 -9.658 -1.916 18.017 1.00 0.00 H new ATOM 0 HA ARG A 62 -11.875 -2.558 19.791 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -12.585 -1.381 17.890 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -11.521 -2.266 16.815 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -12.866 -4.326 17.191 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -13.936 -3.429 18.250 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -14.915 -3.603 16.016 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -14.558 -1.928 16.390 1.00 0.00 H new ATOM 0 HE ARG A 62 -12.327 -3.144 15.015 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -15.589 -1.866 14.525 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -15.290 -1.440 12.837 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -11.958 -2.591 12.849 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -13.246 -1.848 11.894 1.00 0.00 H new ATOM 1011 N TYR A 63 -9.929 -4.738 18.482 1.00 0.00 N ATOM 1012 CA TYR A 63 -9.625 -6.155 18.398 1.00 0.00 C ATOM 1013 C TYR A 63 -9.257 -6.650 19.772 1.00 0.00 C ATOM 1014 O TYR A 63 -9.726 -7.687 20.222 1.00 0.00 O ATOM 1015 CB TYR A 63 -8.483 -6.424 17.404 1.00 0.00 C ATOM 1016 CG TYR A 63 -7.306 -7.169 18.008 1.00 0.00 C ATOM 1017 CD1 TYR A 63 -7.301 -8.557 18.079 1.00 0.00 C ATOM 1018 CD2 TYR A 63 -6.213 -6.482 18.523 1.00 0.00 C ATOM 1019 CE1 TYR A 63 -6.239 -9.239 18.644 1.00 0.00 C ATOM 1020 CE2 TYR A 63 -5.148 -7.157 19.091 1.00 0.00 C ATOM 1021 CZ TYR A 63 -5.166 -8.535 19.149 1.00 0.00 C ATOM 1022 OH TYR A 63 -4.110 -9.211 19.716 1.00 0.00 O ATOM 0 H TYR A 63 -9.148 -4.120 18.261 1.00 0.00 H new ATOM 0 HA TYR A 63 -10.503 -6.688 18.033 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -8.873 -7.000 16.565 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -8.132 -5.473 17.003 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -8.140 -9.112 17.686 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -6.195 -5.403 18.479 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -6.250 -10.318 18.690 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -4.307 -6.608 19.487 1.00 0.00 H new ATOM 0 HH TYR A 63 -4.419 -9.691 20.513 1.00 0.00 H new ATOM 1032 N HIS A 64 -8.433 -5.870 20.445 1.00 0.00 N ATOM 1033 CA HIS A 64 -8.017 -6.178 21.768 1.00 0.00 C ATOM 1034 C HIS A 64 -9.177 -5.919 22.719 1.00 0.00 C ATOM 1035 O HIS A 64 -9.303 -6.531 23.767 1.00 0.00 O ATOM 1036 CB HIS A 64 -6.799 -5.306 22.110 1.00 0.00 C ATOM 1037 CG HIS A 64 -7.163 -4.009 22.716 1.00 0.00 C ATOM 1038 ND1 HIS A 64 -8.044 -3.166 22.120 1.00 0.00 N ATOM 1039 CD2 HIS A 64 -6.770 -3.411 23.856 1.00 0.00 C ATOM 1040 CE1 HIS A 64 -8.189 -2.092 22.854 1.00 0.00 C ATOM 1041 NE2 HIS A 64 -7.426 -2.209 23.925 1.00 0.00 N ATOM 0 H HIS A 64 -8.041 -5.005 20.073 1.00 0.00 H new ATOM 0 HA HIS A 64 -7.729 -7.225 21.860 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -6.151 -5.851 22.796 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -6.223 -5.127 21.202 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -6.071 -3.804 24.579 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -8.826 -1.251 22.622 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -7.339 -1.523 24.675 1.00 0.00 H new ATOM 1050 N ASP A 65 -10.027 -4.986 22.337 1.00 0.00 N ATOM 1051 CA ASP A 65 -11.146 -4.626 23.157 1.00 0.00 C ATOM 1052 C ASP A 65 -12.058 -5.802 23.398 1.00 0.00 C ATOM 1053 O ASP A 65 -13.013 -5.688 24.168 1.00 0.00 O ATOM 1054 CB ASP A 65 -11.936 -3.498 22.511 1.00 0.00 C ATOM 1055 CG ASP A 65 -11.771 -2.178 23.239 1.00 0.00 C ATOM 1056 OD1 ASP A 65 -10.748 -2.009 23.936 1.00 0.00 O ATOM 1057 OD2 ASP A 65 -12.663 -1.314 23.112 1.00 0.00 O ATOM 0 H ASP A 65 -9.956 -4.468 21.461 1.00 0.00 H new ATOM 0 HA ASP A 65 -10.752 -4.294 24.117 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -11.614 -3.380 21.476 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -12.992 -3.766 22.488 1.00 0.00 H new ATOM 1062 N GLU A 66 -11.809 -6.930 22.740 1.00 0.00 N ATOM 1063 CA GLU A 66 -12.686 -8.035 22.941 1.00 0.00 C ATOM 1064 C GLU A 66 -12.097 -9.307 22.415 1.00 0.00 C ATOM 1065 O GLU A 66 -12.418 -10.397 22.887 1.00 0.00 O ATOM 1066 CB GLU A 66 -14.025 -7.760 22.257 1.00 0.00 C ATOM 1067 CG GLU A 66 -13.942 -7.747 20.738 1.00 0.00 C ATOM 1068 CD GLU A 66 -14.638 -6.548 20.125 1.00 0.00 C ATOM 1069 OE1 GLU A 66 -14.240 -5.406 20.438 1.00 0.00 O ATOM 1070 OE2 GLU A 66 -15.583 -6.749 19.332 1.00 0.00 O ATOM 0 H GLU A 66 -11.036 -7.084 22.093 1.00 0.00 H new ATOM 0 HA GLU A 66 -12.838 -8.156 24.014 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -14.744 -8.518 22.567 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -14.408 -6.799 22.600 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -12.895 -7.748 20.435 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -14.388 -8.661 20.346 1.00 0.00 H new ATOM 1077 N MET A 67 -11.254 -9.176 21.415 1.00 0.00 N ATOM 1078 CA MET A 67 -10.647 -10.310 20.799 1.00 0.00 C ATOM 1079 C MET A 67 -9.130 -10.218 20.862 1.00 0.00 C ATOM 1080 O MET A 67 -8.441 -10.912 20.114 1.00 0.00 O ATOM 1081 CB MET A 67 -11.096 -10.345 19.349 1.00 0.00 C ATOM 1082 CG MET A 67 -12.556 -9.964 19.155 1.00 0.00 C ATOM 1083 SD MET A 67 -13.372 -10.943 17.880 1.00 0.00 S ATOM 1084 CE MET A 67 -14.425 -9.706 17.125 1.00 0.00 C ATOM 0 H MET A 67 -10.978 -8.279 21.015 1.00 0.00 H new ATOM 0 HA MET A 67 -10.948 -11.217 21.324 1.00 0.00 H new ATOM 0 HB2 MET A 67 -10.472 -9.667 18.767 1.00 0.00 H new ATOM 0 HB3 MET A 67 -10.935 -11.347 18.951 1.00 0.00 H new ATOM 0 HG2 MET A 67 -13.088 -10.089 20.098 1.00 0.00 H new ATOM 0 HG3 MET A 67 -12.619 -8.908 18.891 1.00 0.00 H new ATOM 0 HE1 MET A 67 -14.996 -10.160 16.315 1.00 0.00 H new ATOM 0 HE2 MET A 67 -15.110 -9.306 17.872 1.00 0.00 H new ATOM 0 HE3 MET A 67 -13.810 -8.898 16.727 1.00 0.00 H new ATOM 1094 N ARG A 68 -8.596 -9.366 21.751 1.00 0.00 N ATOM 1095 CA ARG A 68 -7.141 -9.239 21.860 1.00 0.00 C ATOM 1096 C ARG A 68 -6.522 -10.607 21.842 1.00 0.00 C ATOM 1097 O ARG A 68 -5.533 -10.850 21.151 1.00 0.00 O ATOM 1098 CB ARG A 68 -6.672 -8.511 23.135 1.00 0.00 C ATOM 1099 CG ARG A 68 -7.635 -8.517 24.305 1.00 0.00 C ATOM 1100 CD ARG A 68 -7.430 -7.271 25.154 1.00 0.00 C ATOM 1101 NE ARG A 68 -7.347 -7.578 26.580 1.00 0.00 N ATOM 1102 CZ ARG A 68 -6.370 -8.297 27.129 1.00 0.00 C ATOM 1103 NH1 ARG A 68 -5.391 -8.783 26.377 1.00 0.00 N ATOM 1104 NH2 ARG A 68 -6.373 -8.528 28.435 1.00 0.00 N ATOM 0 H ARG A 68 -9.133 -8.774 22.385 1.00 0.00 H new ATOM 0 HA ARG A 68 -6.823 -8.636 21.010 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -5.735 -8.962 23.461 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -6.454 -7.475 22.877 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -8.662 -8.554 23.941 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -7.479 -9.410 24.911 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -6.516 -6.766 24.840 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -8.253 -6.577 24.981 1.00 0.00 H new ATOM 0 HE ARG A 68 -8.081 -7.220 27.191 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -5.384 -8.607 25.372 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -4.645 -9.333 26.803 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -7.123 -8.155 29.017 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -5.625 -9.079 28.857 1.00 0.00 H new ATOM 1118 N ASN A 69 -7.088 -11.495 22.637 1.00 0.00 N ATOM 1119 CA ASN A 69 -6.553 -12.852 22.743 1.00 0.00 C ATOM 1120 C ASN A 69 -7.518 -13.907 22.202 1.00 0.00 C ATOM 1121 O ASN A 69 -7.412 -15.084 22.549 1.00 0.00 O ATOM 1122 CB ASN A 69 -6.222 -13.158 24.206 1.00 0.00 C ATOM 1123 CG ASN A 69 -7.466 -13.294 25.068 1.00 0.00 C ATOM 1124 OD1 ASN A 69 -8.075 -12.164 25.418 1.00 0.00 O flip ATOM 1125 ND2 ASN A 69 -7.877 -14.402 25.413 1.00 0.00 N flip ATOM 0 H ASN A 69 -7.908 -11.311 23.215 1.00 0.00 H new ATOM 0 HA ASN A 69 -5.651 -12.896 22.132 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -5.644 -14.081 24.259 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -5.592 -12.364 24.606 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -7.380 -15.244 25.122 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -8.715 -14.478 25.989 1.00 0.00 H new ATOM 1132 N TYR A 70 -8.455 -13.493 21.360 1.00 0.00 N ATOM 1133 CA TYR A 70 -9.423 -14.424 20.792 1.00 0.00 C ATOM 1134 C TYR A 70 -8.737 -15.423 19.864 1.00 0.00 C ATOM 1135 O TYR A 70 -9.174 -16.567 19.736 1.00 0.00 O ATOM 1136 CB TYR A 70 -10.508 -13.661 20.031 1.00 0.00 C ATOM 1137 CG TYR A 70 -11.888 -13.812 20.629 1.00 0.00 C ATOM 1138 CD1 TYR A 70 -12.100 -13.633 21.990 1.00 0.00 C ATOM 1139 CD2 TYR A 70 -12.980 -14.134 19.833 1.00 0.00 C ATOM 1140 CE1 TYR A 70 -13.360 -13.771 22.541 1.00 0.00 C ATOM 1141 CE2 TYR A 70 -14.244 -14.273 20.375 1.00 0.00 C ATOM 1142 CZ TYR A 70 -14.428 -14.090 21.730 1.00 0.00 C ATOM 1143 OH TYR A 70 -15.684 -14.228 22.274 1.00 0.00 O ATOM 0 H TYR A 70 -8.566 -12.526 21.056 1.00 0.00 H new ATOM 0 HA TYR A 70 -9.885 -14.976 21.611 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -10.246 -12.603 20.005 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -10.529 -14.009 18.998 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -11.266 -13.382 22.629 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -12.839 -14.278 18.772 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -13.507 -13.630 23.602 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -15.082 -14.523 19.742 1.00 0.00 H new ATOM 0 HH TYR A 70 -16.324 -14.453 21.567 1.00 0.00 H new ATOM 1153 N LYS A 71 -7.660 -14.983 19.222 1.00 0.00 N ATOM 1154 CA LYS A 71 -6.914 -15.840 18.308 1.00 0.00 C ATOM 1155 C LYS A 71 -6.332 -17.046 19.045 1.00 0.00 C ATOM 1156 O LYS A 71 -5.996 -16.957 20.226 1.00 0.00 O ATOM 1157 CB LYS A 71 -5.792 -15.046 17.633 1.00 0.00 C ATOM 1158 CG LYS A 71 -5.798 -15.154 16.116 1.00 0.00 C ATOM 1159 CD LYS A 71 -4.388 -15.292 15.562 1.00 0.00 C ATOM 1160 CE LYS A 71 -3.752 -16.607 15.978 1.00 0.00 C ATOM 1161 NZ LYS A 71 -2.289 -16.467 16.215 1.00 0.00 N ATOM 0 H LYS A 71 -7.285 -14.039 19.318 1.00 0.00 H new ATOM 0 HA LYS A 71 -7.602 -16.203 17.544 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -5.880 -13.997 17.915 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -4.832 -15.397 18.010 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -6.395 -16.015 15.814 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -6.273 -14.271 15.689 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -4.416 -15.228 14.474 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -3.775 -14.463 15.914 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -4.233 -16.972 16.885 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -3.924 -17.354 15.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -1.893 -17.387 16.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -1.825 -16.144 15.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -2.125 -15.773 16.972 1.00 0.00 H new ATOM 1175 N PRO A 72 -6.204 -18.192 18.354 1.00 0.00 N ATOM 1176 CA PRO A 72 -5.661 -19.416 18.951 1.00 0.00 C ATOM 1177 C PRO A 72 -4.309 -19.184 19.616 1.00 0.00 C ATOM 1178 O PRO A 72 -3.262 -19.316 18.982 1.00 0.00 O ATOM 1179 CB PRO A 72 -5.513 -20.360 17.756 1.00 0.00 C ATOM 1180 CG PRO A 72 -6.513 -19.876 16.764 1.00 0.00 C ATOM 1181 CD PRO A 72 -6.580 -18.385 16.941 1.00 0.00 C ATOM 0 HA PRO A 72 -6.305 -19.804 19.740 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -4.503 -20.327 17.348 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -5.707 -21.394 18.042 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -6.213 -20.136 15.749 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -7.487 -20.334 16.936 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -5.894 -17.869 16.269 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -7.579 -18.000 16.735 1.00 0.00 H new ATOM 1189 N GLU A 73 -4.338 -18.837 20.900 1.00 0.00 N ATOM 1190 CA GLU A 73 -3.115 -18.586 21.652 1.00 0.00 C ATOM 1191 C GLU A 73 -2.867 -19.693 22.673 1.00 0.00 C ATOM 1192 O GLU A 73 -2.322 -19.448 23.749 1.00 0.00 O ATOM 1193 CB GLU A 73 -3.194 -17.233 22.360 1.00 0.00 C ATOM 1194 CG GLU A 73 -1.846 -16.551 22.523 1.00 0.00 C ATOM 1195 CD GLU A 73 -1.551 -15.568 21.406 1.00 0.00 C ATOM 1196 OE1 GLU A 73 -2.298 -14.577 21.274 1.00 0.00 O ATOM 1197 OE2 GLU A 73 -0.573 -15.792 20.661 1.00 0.00 O ATOM 0 H GLU A 73 -5.196 -18.724 21.440 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.283 -18.572 20.948 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.858 -16.577 21.798 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -3.642 -17.373 23.344 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -1.821 -16.028 23.479 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.062 -17.307 22.553 1.00 0.00 H new ATOM 1204 N ALA A 74 -3.272 -20.911 22.327 1.00 0.00 N ATOM 1205 CA ALA A 74 -3.093 -22.055 23.213 1.00 0.00 C ATOM 1206 C ALA A 74 -1.615 -22.329 23.466 1.00 0.00 C ATOM 1207 O ALA A 74 -1.226 -22.427 24.649 1.00 0.00 O ATOM 1208 CB ALA A 74 -3.767 -23.285 22.627 1.00 0.00 C ATOM 1209 OXT ALA A 74 -0.858 -22.442 22.479 1.00 0.00 O ATOM 0 H ALA A 74 -3.726 -21.131 21.440 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.559 -21.819 24.169 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -3.626 -24.132 23.298 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.833 -23.092 22.505 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.326 -23.514 21.657 1.00 0.00 H new TER 1215 ALA A 74