USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 753 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 48 ASN :FLIP amide:sc= -1.33! C(o=-3.3!,f=-1.6!) USER MOD Set 1.2: A 51 LYS NZ :NH3+ -153:sc= -0.261 (180deg=-0.844) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 10:sc= 0.581 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0511 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 TYR OH : rot 180:sc= -0.96 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -63:sc= 0.145 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -73:sc= 1.12 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot 70:sc= 0.155 USER MOD Single : A 43 MET CE :methyl 177:sc= 0 (180deg=-0.0159) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 HIS : no HD1:sc= 0.101 K(o=0.1,f=-1.6) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot -120:sc= -1.24 USER MOD Single : A 64 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0461) USER MOD Single : A 65 HIS : no HD1:sc= -0.0391 X(o=-0.039,f=0) USER MOD Single : A 66 ASN : amide:sc= -1.24! C(o=-1.2!,f=-4!) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00914) USER MOD Single : A 74 HIS : no HD1:sc= -1.57 K(o=-1.6,f=-2.3) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -3.59! C(o=-3.6!,f=-5.6!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 31.227 6.713 18.952 1.00 0.00 N ATOM 2 CA GLY A 1 30.404 5.807 19.732 1.00 0.00 C ATOM 3 C GLY A 1 29.005 6.345 19.959 1.00 0.00 C ATOM 4 O GLY A 1 28.834 7.490 20.379 1.00 0.00 O ATOM 0 H1 GLY A 1 32.173 6.300 18.825 1.00 0.00 H new ATOM 0 H2 GLY A 1 30.788 6.867 18.022 1.00 0.00 H new ATOM 0 H3 GLY A 1 31.310 7.622 19.450 1.00 0.00 H new ATOM 0 HA2 GLY A 1 30.342 4.846 19.221 1.00 0.00 H new ATOM 0 HA3 GLY A 1 30.881 5.626 20.695 1.00 0.00 H new ATOM 8 N SER A 2 28.002 5.519 19.681 1.00 0.00 N ATOM 9 CA SER A 2 26.611 5.920 19.852 1.00 0.00 C ATOM 10 C SER A 2 26.402 6.592 21.206 1.00 0.00 C ATOM 11 O SER A 2 26.587 5.972 22.254 1.00 0.00 O ATOM 12 CB SER A 2 25.688 4.706 19.725 1.00 0.00 C ATOM 13 OG SER A 2 25.711 4.185 18.407 1.00 0.00 O ATOM 0 H SER A 2 28.127 4.567 19.336 1.00 0.00 H new ATOM 0 HA SER A 2 26.367 6.637 19.068 1.00 0.00 H new ATOM 0 HB2 SER A 2 25.997 3.934 20.430 1.00 0.00 H new ATOM 0 HB3 SER A 2 24.669 4.990 19.990 1.00 0.00 H new ATOM 0 HG SER A 2 25.115 3.409 18.351 1.00 0.00 H new ATOM 19 N SER A 3 26.015 7.863 21.176 1.00 0.00 N ATOM 20 CA SER A 3 25.785 8.621 22.400 1.00 0.00 C ATOM 21 C SER A 3 24.546 9.502 22.268 1.00 0.00 C ATOM 22 O SER A 3 24.205 9.953 21.175 1.00 0.00 O ATOM 23 CB SER A 3 27.005 9.483 22.728 1.00 0.00 C ATOM 24 OG SER A 3 26.806 10.213 23.927 1.00 0.00 O ATOM 0 H SER A 3 25.854 8.390 20.317 1.00 0.00 H new ATOM 0 HA SER A 3 25.621 7.912 23.212 1.00 0.00 H new ATOM 0 HB2 SER A 3 27.886 8.849 22.826 1.00 0.00 H new ATOM 0 HB3 SER A 3 27.199 10.173 21.906 1.00 0.00 H new ATOM 0 HG SER A 3 27.600 10.755 24.116 1.00 0.00 H new ATOM 30 N GLY A 4 23.876 9.743 23.391 1.00 0.00 N ATOM 31 CA GLY A 4 22.683 10.569 23.381 1.00 0.00 C ATOM 32 C GLY A 4 21.422 9.762 23.145 1.00 0.00 C ATOM 33 O GLY A 4 21.283 8.650 23.656 1.00 0.00 O ATOM 0 H GLY A 4 24.138 9.381 24.308 1.00 0.00 H new ATOM 0 HA2 GLY A 4 22.601 11.095 24.332 1.00 0.00 H new ATOM 0 HA3 GLY A 4 22.776 11.327 22.604 1.00 0.00 H new ATOM 37 N SER A 5 20.499 10.322 22.370 1.00 0.00 N ATOM 38 CA SER A 5 19.240 9.650 22.072 1.00 0.00 C ATOM 39 C SER A 5 18.617 10.204 20.794 1.00 0.00 C ATOM 40 O SER A 5 18.745 11.391 20.492 1.00 0.00 O ATOM 41 CB SER A 5 18.264 9.808 23.239 1.00 0.00 C ATOM 42 OG SER A 5 17.958 11.173 23.467 1.00 0.00 O ATOM 0 H SER A 5 20.600 11.240 21.937 1.00 0.00 H new ATOM 0 HA SER A 5 19.449 8.591 21.924 1.00 0.00 H new ATOM 0 HB2 SER A 5 17.348 9.257 23.028 1.00 0.00 H new ATOM 0 HB3 SER A 5 18.697 9.374 24.140 1.00 0.00 H new ATOM 0 HG SER A 5 17.331 11.247 24.217 1.00 0.00 H new ATOM 48 N SER A 6 17.942 9.336 20.047 1.00 0.00 N ATOM 49 CA SER A 6 17.301 9.737 18.800 1.00 0.00 C ATOM 50 C SER A 6 16.152 8.795 18.453 1.00 0.00 C ATOM 51 O SER A 6 16.158 7.624 18.830 1.00 0.00 O ATOM 52 CB SER A 6 18.322 9.756 17.661 1.00 0.00 C ATOM 53 OG SER A 6 19.198 10.863 17.780 1.00 0.00 O ATOM 0 H SER A 6 17.825 8.351 20.284 1.00 0.00 H new ATOM 0 HA SER A 6 16.897 10.741 18.933 1.00 0.00 H new ATOM 0 HB2 SER A 6 18.898 8.830 17.669 1.00 0.00 H new ATOM 0 HB3 SER A 6 17.803 9.800 16.704 1.00 0.00 H new ATOM 0 HG SER A 6 19.069 11.290 18.653 1.00 0.00 H new ATOM 59 N GLY A 7 15.166 9.317 17.729 1.00 0.00 N ATOM 60 CA GLY A 7 14.023 8.510 17.342 1.00 0.00 C ATOM 61 C GLY A 7 13.244 9.122 16.195 1.00 0.00 C ATOM 62 O GLY A 7 12.296 9.878 16.412 1.00 0.00 O ATOM 0 H GLY A 7 15.138 10.283 17.404 1.00 0.00 H new ATOM 0 HA2 GLY A 7 14.365 7.515 17.056 1.00 0.00 H new ATOM 0 HA3 GLY A 7 13.363 8.385 18.200 1.00 0.00 H new ATOM 66 N TYR A 8 13.643 8.797 14.971 1.00 0.00 N ATOM 67 CA TYR A 8 12.978 9.323 13.785 1.00 0.00 C ATOM 68 C TYR A 8 12.423 8.192 12.925 1.00 0.00 C ATOM 69 O TYR A 8 11.946 8.418 11.812 1.00 0.00 O ATOM 70 CB TYR A 8 13.950 10.173 12.964 1.00 0.00 C ATOM 71 CG TYR A 8 13.419 10.551 11.600 1.00 0.00 C ATOM 72 CD1 TYR A 8 12.554 11.627 11.443 1.00 0.00 C ATOM 73 CD2 TYR A 8 13.783 9.833 10.467 1.00 0.00 C ATOM 74 CE1 TYR A 8 12.066 11.976 10.199 1.00 0.00 C ATOM 75 CE2 TYR A 8 13.301 10.176 9.219 1.00 0.00 C ATOM 76 CZ TYR A 8 12.443 11.248 9.090 1.00 0.00 C ATOM 77 OH TYR A 8 11.960 11.592 7.848 1.00 0.00 O ATOM 0 H TYR A 8 14.424 8.171 14.774 1.00 0.00 H new ATOM 0 HA TYR A 8 12.147 9.948 14.113 1.00 0.00 H new ATOM 0 HB2 TYR A 8 14.183 11.082 13.519 1.00 0.00 H new ATOM 0 HB3 TYR A 8 14.885 9.626 12.842 1.00 0.00 H new ATOM 0 HD1 TYR A 8 12.258 12.201 12.309 1.00 0.00 H new ATOM 0 HD2 TYR A 8 14.454 8.993 10.564 1.00 0.00 H new ATOM 0 HE1 TYR A 8 11.393 12.814 10.095 1.00 0.00 H new ATOM 0 HE2 TYR A 8 13.594 9.608 8.349 1.00 0.00 H new ATOM 0 HH TYR A 8 12.323 10.980 7.175 1.00 0.00 H new ATOM 87 N LEU A 9 12.487 6.973 13.449 1.00 0.00 N ATOM 88 CA LEU A 9 11.990 5.804 12.731 1.00 0.00 C ATOM 89 C LEU A 9 10.533 5.525 13.088 1.00 0.00 C ATOM 90 O LEU A 9 10.242 4.691 13.945 1.00 0.00 O ATOM 91 CB LEU A 9 12.849 4.580 13.053 1.00 0.00 C ATOM 92 CG LEU A 9 12.950 3.523 11.952 1.00 0.00 C ATOM 93 CD1 LEU A 9 11.591 2.893 11.691 1.00 0.00 C ATOM 94 CD2 LEU A 9 13.511 4.133 10.676 1.00 0.00 C ATOM 0 H LEU A 9 12.878 6.768 14.368 1.00 0.00 H new ATOM 0 HA LEU A 9 12.050 6.011 11.663 1.00 0.00 H new ATOM 0 HB2 LEU A 9 13.856 4.921 13.295 1.00 0.00 H new ATOM 0 HB3 LEU A 9 12.449 4.106 13.949 1.00 0.00 H new ATOM 0 HG LEU A 9 13.632 2.741 12.287 1.00 0.00 H new ATOM 0 HD11 LEU A 9 11.682 2.144 10.905 1.00 0.00 H new ATOM 0 HD12 LEU A 9 11.228 2.420 12.603 1.00 0.00 H new ATOM 0 HD13 LEU A 9 10.887 3.664 11.377 1.00 0.00 H new ATOM 0 HD21 LEU A 9 13.576 3.366 9.904 1.00 0.00 H new ATOM 0 HD22 LEU A 9 12.855 4.935 10.337 1.00 0.00 H new ATOM 0 HD23 LEU A 9 14.505 4.536 10.872 1.00 0.00 H new ATOM 106 N LYS A 10 9.622 6.226 12.423 1.00 0.00 N ATOM 107 CA LYS A 10 8.195 6.052 12.666 1.00 0.00 C ATOM 108 C LYS A 10 7.704 4.724 12.097 1.00 0.00 C ATOM 109 O LYS A 10 8.351 4.129 11.235 1.00 0.00 O ATOM 110 CB LYS A 10 7.406 7.207 12.045 1.00 0.00 C ATOM 111 CG LYS A 10 6.054 7.441 12.697 1.00 0.00 C ATOM 112 CD LYS A 10 5.246 8.486 11.947 1.00 0.00 C ATOM 113 CE LYS A 10 3.780 8.452 12.350 1.00 0.00 C ATOM 114 NZ LYS A 10 3.072 9.708 11.976 1.00 0.00 N ATOM 0 H LYS A 10 9.846 6.921 11.711 1.00 0.00 H new ATOM 0 HA LYS A 10 8.034 6.048 13.744 1.00 0.00 H new ATOM 0 HB2 LYS A 10 7.997 8.120 12.117 1.00 0.00 H new ATOM 0 HB3 LYS A 10 7.258 7.006 10.984 1.00 0.00 H new ATOM 0 HG2 LYS A 10 5.498 6.504 12.729 1.00 0.00 H new ATOM 0 HG3 LYS A 10 6.197 7.762 13.729 1.00 0.00 H new ATOM 0 HD2 LYS A 10 5.656 9.476 12.146 1.00 0.00 H new ATOM 0 HD3 LYS A 10 5.334 8.314 10.874 1.00 0.00 H new ATOM 0 HE2 LYS A 10 3.291 7.603 11.871 1.00 0.00 H new ATOM 0 HE3 LYS A 10 3.703 8.298 13.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 2.076 9.645 12.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 3.522 10.515 12.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 3.123 9.842 10.946 1.00 0.00 H new ATOM 128 N LEU A 11 6.556 4.266 12.584 1.00 0.00 N ATOM 129 CA LEU A 11 5.977 3.008 12.123 1.00 0.00 C ATOM 130 C LEU A 11 4.527 3.202 11.694 1.00 0.00 C ATOM 131 O LEU A 11 3.665 3.532 12.509 1.00 0.00 O ATOM 132 CB LEU A 11 6.058 1.952 13.227 1.00 0.00 C ATOM 133 CG LEU A 11 7.410 1.260 13.395 1.00 0.00 C ATOM 134 CD1 LEU A 11 7.949 0.804 12.048 1.00 0.00 C ATOM 135 CD2 LEU A 11 8.402 2.187 14.082 1.00 0.00 C ATOM 0 H LEU A 11 6.008 4.746 13.298 1.00 0.00 H new ATOM 0 HA LEU A 11 6.549 2.667 11.260 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.794 2.424 14.173 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.304 1.190 13.029 1.00 0.00 H new ATOM 0 HG LEU A 11 7.270 0.380 14.023 1.00 0.00 H new ATOM 0 HD11 LEU A 11 8.912 0.314 12.189 1.00 0.00 H new ATOM 0 HD12 LEU A 11 7.248 0.104 11.594 1.00 0.00 H new ATOM 0 HD13 LEU A 11 8.073 1.668 11.395 1.00 0.00 H new ATOM 0 HD21 LEU A 11 9.359 1.678 14.193 1.00 0.00 H new ATOM 0 HD22 LEU A 11 8.537 3.086 13.480 1.00 0.00 H new ATOM 0 HD23 LEU A 11 8.021 2.463 15.065 1.00 0.00 H new ATOM 147 N VAL A 12 4.262 2.993 10.408 1.00 0.00 N ATOM 148 CA VAL A 12 2.915 3.141 9.870 1.00 0.00 C ATOM 149 C VAL A 12 2.326 1.789 9.484 1.00 0.00 C ATOM 150 O VAL A 12 2.982 0.978 8.830 1.00 0.00 O ATOM 151 CB VAL A 12 2.901 4.065 8.638 1.00 0.00 C ATOM 152 CG1 VAL A 12 3.600 5.380 8.948 1.00 0.00 C ATOM 153 CG2 VAL A 12 3.550 3.375 7.447 1.00 0.00 C ATOM 0 H VAL A 12 4.963 2.720 9.719 1.00 0.00 H new ATOM 0 HA VAL A 12 2.307 3.588 10.657 1.00 0.00 H new ATOM 0 HB VAL A 12 1.864 4.284 8.382 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.580 6.020 8.066 1.00 0.00 H new ATOM 0 HG12 VAL A 12 3.087 5.880 9.770 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.634 5.184 9.231 1.00 0.00 H new ATOM 0 HG21 VAL A 12 3.531 4.042 6.585 1.00 0.00 H new ATOM 0 HG22 VAL A 12 4.583 3.125 7.690 1.00 0.00 H new ATOM 0 HG23 VAL A 12 3.001 2.463 7.212 1.00 0.00 H new ATOM 163 N ARG A 13 1.084 1.552 9.894 1.00 0.00 N ATOM 164 CA ARG A 13 0.406 0.298 9.593 1.00 0.00 C ATOM 165 C ARG A 13 -0.595 0.480 8.455 1.00 0.00 C ATOM 166 O ARG A 13 -1.404 1.408 8.470 1.00 0.00 O ATOM 167 CB ARG A 13 -0.311 -0.231 10.836 1.00 0.00 C ATOM 168 CG ARG A 13 0.632 -0.758 11.905 1.00 0.00 C ATOM 169 CD ARG A 13 0.043 -0.595 13.297 1.00 0.00 C ATOM 170 NE ARG A 13 -0.217 0.806 13.621 1.00 0.00 N ATOM 171 CZ ARG A 13 0.706 1.633 14.099 1.00 0.00 C ATOM 172 NH1 ARG A 13 1.943 1.203 14.307 1.00 0.00 N ATOM 173 NH2 ARG A 13 0.392 2.894 14.369 1.00 0.00 N ATOM 0 H ARG A 13 0.527 2.213 10.436 1.00 0.00 H new ATOM 0 HA ARG A 13 1.159 -0.426 9.280 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -0.919 0.567 11.262 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -0.993 -1.028 10.540 1.00 0.00 H new ATOM 0 HG2 ARG A 13 0.842 -1.811 11.719 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.583 -0.228 11.847 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -0.886 -1.161 13.366 1.00 0.00 H new ATOM 0 HD3 ARG A 13 0.729 -1.016 14.032 1.00 0.00 H new ATOM 0 HE ARG A 13 -1.159 1.169 13.472 1.00 0.00 H new ATOM 0 HH11 ARG A 13 2.188 0.235 14.100 1.00 0.00 H new ATOM 0 HH12 ARG A 13 2.650 1.840 14.674 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -0.558 3.228 14.209 1.00 0.00 H new ATOM 0 HH22 ARG A 13 1.101 3.529 14.736 1.00 0.00 H new ATOM 187 N ILE A 14 -0.532 -0.409 7.470 1.00 0.00 N ATOM 188 CA ILE A 14 -1.432 -0.346 6.325 1.00 0.00 C ATOM 189 C ILE A 14 -2.332 -1.576 6.265 1.00 0.00 C ATOM 190 O ILE A 14 -1.869 -2.705 6.426 1.00 0.00 O ATOM 191 CB ILE A 14 -0.653 -0.229 5.002 1.00 0.00 C ATOM 192 CG1 ILE A 14 0.167 1.062 4.981 1.00 0.00 C ATOM 193 CG2 ILE A 14 -1.609 -0.276 3.819 1.00 0.00 C ATOM 194 CD1 ILE A 14 -0.641 2.297 5.314 1.00 0.00 C ATOM 0 H ILE A 14 0.133 -1.182 7.442 1.00 0.00 H new ATOM 0 HA ILE A 14 -2.046 0.545 6.455 1.00 0.00 H new ATOM 0 HB ILE A 14 0.032 -1.073 4.924 1.00 0.00 H new ATOM 0 HG12 ILE A 14 0.988 0.973 5.692 1.00 0.00 H new ATOM 0 HG13 ILE A 14 0.612 1.184 3.993 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -1.044 -0.192 2.891 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.153 -1.220 3.828 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -2.316 0.551 3.889 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.005 3.174 5.280 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.447 2.411 4.589 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -1.064 2.196 6.313 1.00 0.00 H new ATOM 206 N TYR A 15 -3.620 -1.348 6.031 1.00 0.00 N ATOM 207 CA TYR A 15 -4.586 -2.438 5.950 1.00 0.00 C ATOM 208 C TYR A 15 -4.869 -2.808 4.498 1.00 0.00 C ATOM 209 O TYR A 15 -5.610 -2.115 3.800 1.00 0.00 O ATOM 210 CB TYR A 15 -5.888 -2.046 6.651 1.00 0.00 C ATOM 211 CG TYR A 15 -5.718 -1.754 8.125 1.00 0.00 C ATOM 212 CD1 TYR A 15 -5.416 -2.770 9.024 1.00 0.00 C ATOM 213 CD2 TYR A 15 -5.860 -0.463 8.619 1.00 0.00 C ATOM 214 CE1 TYR A 15 -5.261 -2.508 10.371 1.00 0.00 C ATOM 215 CE2 TYR A 15 -5.705 -0.192 9.964 1.00 0.00 C ATOM 216 CZ TYR A 15 -5.406 -1.217 10.837 1.00 0.00 C ATOM 217 OH TYR A 15 -5.252 -0.951 12.178 1.00 0.00 O ATOM 0 H TYR A 15 -4.019 -0.419 5.894 1.00 0.00 H new ATOM 0 HA TYR A 15 -4.158 -3.307 6.451 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -6.304 -1.166 6.161 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -6.613 -2.851 6.530 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -5.301 -3.781 8.663 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -6.096 0.342 7.939 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -5.027 -3.309 11.056 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -5.817 0.818 10.331 1.00 0.00 H new ATOM 0 HH TYR A 15 -5.386 0.006 12.339 1.00 0.00 H new ATOM 227 N THR A 16 -4.273 -3.908 4.047 1.00 0.00 N ATOM 228 CA THR A 16 -4.459 -4.372 2.678 1.00 0.00 C ATOM 229 C THR A 16 -5.907 -4.775 2.426 1.00 0.00 C ATOM 230 O THR A 16 -6.568 -5.336 3.301 1.00 0.00 O ATOM 231 CB THR A 16 -3.542 -5.569 2.361 1.00 0.00 C ATOM 232 OG1 THR A 16 -3.600 -5.874 0.963 1.00 0.00 O ATOM 233 CG2 THR A 16 -3.950 -6.791 3.170 1.00 0.00 C ATOM 0 H THR A 16 -3.657 -4.494 4.611 1.00 0.00 H new ATOM 0 HA THR A 16 -4.197 -3.540 2.024 1.00 0.00 H new ATOM 0 HB THR A 16 -2.521 -5.299 2.631 1.00 0.00 H new ATOM 0 HG1 THR A 16 -3.013 -6.635 0.770 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.289 -7.624 2.930 1.00 0.00 H new ATOM 0 HG22 THR A 16 -3.876 -6.564 4.234 1.00 0.00 H new ATOM 0 HG23 THR A 16 -4.977 -7.062 2.927 1.00 0.00 H new ATOM 241 N LYS A 17 -6.396 -4.487 1.225 1.00 0.00 N ATOM 242 CA LYS A 17 -7.767 -4.821 0.856 1.00 0.00 C ATOM 243 C LYS A 17 -7.792 -5.813 -0.302 1.00 0.00 C ATOM 244 O LYS A 17 -7.752 -5.437 -1.474 1.00 0.00 O ATOM 245 CB LYS A 17 -8.537 -3.555 0.474 1.00 0.00 C ATOM 246 CG LYS A 17 -10.043 -3.695 0.608 1.00 0.00 C ATOM 247 CD LYS A 17 -10.756 -2.394 0.278 1.00 0.00 C ATOM 248 CE LYS A 17 -12.154 -2.358 0.877 1.00 0.00 C ATOM 249 NZ LYS A 17 -13.147 -3.052 0.010 1.00 0.00 N ATOM 0 H LYS A 17 -5.863 -4.023 0.490 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.247 -5.284 1.718 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.200 -2.731 1.103 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.295 -3.290 -0.555 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.397 -4.483 -0.057 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.292 -4.000 1.625 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.175 -1.553 0.657 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.819 -2.277 -0.804 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -12.140 -2.827 1.861 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -12.460 -1.322 1.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -14.087 -3.006 0.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -13.179 -2.589 -0.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.869 -4.047 -0.108 1.00 0.00 H new ATOM 263 N PRO A 18 -7.862 -7.111 0.031 1.00 0.00 N ATOM 264 CA PRO A 18 -7.896 -8.183 -0.968 1.00 0.00 C ATOM 265 C PRO A 18 -9.208 -8.211 -1.744 1.00 0.00 C ATOM 266 O PRO A 18 -10.288 -8.269 -1.156 1.00 0.00 O ATOM 267 CB PRO A 18 -7.744 -9.454 -0.128 1.00 0.00 C ATOM 268 CG PRO A 18 -8.258 -9.082 1.220 1.00 0.00 C ATOM 269 CD PRO A 18 -7.913 -7.630 1.408 1.00 0.00 C ATOM 0 HA PRO A 18 -7.121 -8.060 -1.725 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -8.313 -10.280 -0.554 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -6.703 -9.775 -0.080 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -9.335 -9.239 1.284 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -7.800 -9.696 1.996 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -8.664 -7.113 2.005 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.958 -7.507 1.920 1.00 0.00 H new ATOM 277 N LYS A 19 -9.108 -8.169 -3.068 1.00 0.00 N ATOM 278 CA LYS A 19 -10.287 -8.192 -3.926 1.00 0.00 C ATOM 279 C LYS A 19 -11.209 -9.349 -3.554 1.00 0.00 C ATOM 280 O LYS A 19 -10.783 -10.502 -3.502 1.00 0.00 O ATOM 281 CB LYS A 19 -9.872 -8.308 -5.395 1.00 0.00 C ATOM 282 CG LYS A 19 -9.363 -9.687 -5.776 1.00 0.00 C ATOM 283 CD LYS A 19 -10.491 -10.583 -6.260 1.00 0.00 C ATOM 284 CE LYS A 19 -10.861 -10.282 -7.704 1.00 0.00 C ATOM 285 NZ LYS A 19 -12.227 -10.771 -8.040 1.00 0.00 N ATOM 0 H LYS A 19 -8.222 -8.119 -3.571 1.00 0.00 H new ATOM 0 HA LYS A 19 -10.829 -7.258 -3.781 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -10.725 -8.058 -6.026 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -9.095 -7.573 -5.603 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -8.609 -9.595 -6.558 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -8.875 -10.146 -4.916 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -10.192 -11.627 -6.170 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -11.365 -10.446 -5.623 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -10.808 -9.207 -7.876 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -10.134 -10.748 -8.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -12.442 -10.547 -9.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -12.271 -11.801 -7.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -12.923 -10.308 -7.422 1.00 0.00 H new ATOM 299 N GLY A 20 -12.475 -9.033 -3.299 1.00 0.00 N ATOM 300 CA GLY A 20 -13.437 -10.057 -2.937 1.00 0.00 C ATOM 301 C GLY A 20 -13.627 -10.170 -1.437 1.00 0.00 C ATOM 302 O GLY A 20 -14.756 -10.184 -0.949 1.00 0.00 O ATOM 0 H GLY A 20 -12.851 -8.086 -3.337 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -14.395 -9.833 -3.406 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -13.106 -11.018 -3.332 1.00 0.00 H new ATOM 306 N GLN A 21 -12.519 -10.253 -0.707 1.00 0.00 N ATOM 307 CA GLN A 21 -12.570 -10.369 0.746 1.00 0.00 C ATOM 308 C GLN A 21 -12.421 -9.002 1.406 1.00 0.00 C ATOM 309 O GLN A 21 -12.213 -7.993 0.730 1.00 0.00 O ATOM 310 CB GLN A 21 -11.473 -11.311 1.243 1.00 0.00 C ATOM 311 CG GLN A 21 -11.687 -11.797 2.667 1.00 0.00 C ATOM 312 CD GLN A 21 -11.091 -13.169 2.911 1.00 0.00 C ATOM 313 OE1 GLN A 21 -11.608 -14.178 2.430 1.00 0.00 O ATOM 314 NE2 GLN A 21 -9.997 -13.215 3.663 1.00 0.00 N ATOM 0 H GLN A 21 -11.577 -10.242 -1.097 1.00 0.00 H new ATOM 0 HA GLN A 21 -13.542 -10.780 1.019 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -11.417 -12.173 0.578 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -10.512 -10.800 1.183 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -11.243 -11.083 3.361 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -12.756 -11.826 2.880 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -9.602 -12.354 4.042 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -9.552 -14.111 3.862 1.00 0.00 H new ATOM 323 N LEU A 22 -12.528 -8.975 2.730 1.00 0.00 N ATOM 324 CA LEU A 22 -12.405 -7.731 3.482 1.00 0.00 C ATOM 325 C LEU A 22 -10.964 -7.503 3.925 1.00 0.00 C ATOM 326 O LEU A 22 -10.193 -8.443 4.122 1.00 0.00 O ATOM 327 CB LEU A 22 -13.328 -7.756 4.702 1.00 0.00 C ATOM 328 CG LEU A 22 -12.720 -8.308 5.992 1.00 0.00 C ATOM 329 CD1 LEU A 22 -11.904 -7.236 6.698 1.00 0.00 C ATOM 330 CD2 LEU A 22 -13.810 -8.842 6.909 1.00 0.00 C ATOM 0 H LEU A 22 -12.700 -9.800 3.305 1.00 0.00 H new ATOM 0 HA LEU A 22 -12.699 -6.910 2.829 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -13.673 -6.740 4.892 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -14.208 -8.350 4.455 1.00 0.00 H new ATOM 0 HG LEU A 22 -12.054 -9.132 5.735 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -11.479 -7.647 7.614 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -11.100 -6.901 6.043 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -12.548 -6.391 6.944 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -13.359 -9.231 7.822 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -14.501 -8.037 7.160 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -14.352 -9.641 6.403 1.00 0.00 H new ATOM 342 N PRO A 23 -10.589 -6.225 4.088 1.00 0.00 N ATOM 343 CA PRO A 23 -9.239 -5.844 4.513 1.00 0.00 C ATOM 344 C PRO A 23 -8.963 -6.213 5.966 1.00 0.00 C ATOM 345 O PRO A 23 -9.643 -5.739 6.877 1.00 0.00 O ATOM 346 CB PRO A 23 -9.228 -4.324 4.335 1.00 0.00 C ATOM 347 CG PRO A 23 -10.657 -3.918 4.447 1.00 0.00 C ATOM 348 CD PRO A 23 -11.456 -5.055 3.871 1.00 0.00 C ATOM 0 HA PRO A 23 -8.469 -6.360 3.939 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -8.618 -3.841 5.098 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -8.811 -4.042 3.368 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -10.931 -3.736 5.486 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -10.844 -2.993 3.901 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -12.416 -5.167 4.375 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -11.667 -4.902 2.813 1.00 0.00 H new ATOM 356 N ASP A 24 -7.961 -7.060 6.176 1.00 0.00 N ATOM 357 CA ASP A 24 -7.593 -7.491 7.520 1.00 0.00 C ATOM 358 C ASP A 24 -7.243 -6.293 8.398 1.00 0.00 C ATOM 359 O ASP A 24 -6.741 -5.280 7.912 1.00 0.00 O ATOM 360 CB ASP A 24 -6.412 -8.460 7.463 1.00 0.00 C ATOM 361 CG ASP A 24 -5.183 -7.837 6.829 1.00 0.00 C ATOM 362 OD1 ASP A 24 -5.345 -6.934 5.983 1.00 0.00 O ATOM 363 OD2 ASP A 24 -4.059 -8.255 7.179 1.00 0.00 O ATOM 0 H ASP A 24 -7.389 -7.462 5.433 1.00 0.00 H new ATOM 0 HA ASP A 24 -8.450 -8.002 7.958 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -6.168 -8.791 8.472 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -6.700 -9.346 6.897 1.00 0.00 H new ATOM 368 N TYR A 25 -7.512 -6.417 9.693 1.00 0.00 N ATOM 369 CA TYR A 25 -7.229 -5.344 10.639 1.00 0.00 C ATOM 370 C TYR A 25 -6.343 -5.841 11.777 1.00 0.00 C ATOM 371 O TYR A 25 -5.757 -5.049 12.515 1.00 0.00 O ATOM 372 CB TYR A 25 -8.532 -4.776 11.203 1.00 0.00 C ATOM 373 CG TYR A 25 -9.521 -4.357 10.138 1.00 0.00 C ATOM 374 CD1 TYR A 25 -9.188 -3.396 9.192 1.00 0.00 C ATOM 375 CD2 TYR A 25 -10.789 -4.923 10.079 1.00 0.00 C ATOM 376 CE1 TYR A 25 -10.089 -3.010 8.218 1.00 0.00 C ATOM 377 CE2 TYR A 25 -11.695 -4.544 9.108 1.00 0.00 C ATOM 378 CZ TYR A 25 -11.341 -3.587 8.180 1.00 0.00 C ATOM 379 OH TYR A 25 -12.241 -3.206 7.211 1.00 0.00 O ATOM 0 H TYR A 25 -7.926 -7.250 10.112 1.00 0.00 H new ATOM 0 HA TYR A 25 -6.697 -4.555 10.107 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -8.997 -5.524 11.845 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -8.302 -3.916 11.832 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -8.208 -2.943 9.218 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -11.071 -5.672 10.805 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -9.814 -2.261 7.491 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -12.676 -4.995 9.075 1.00 0.00 H new ATOM 0 HH TYR A 25 -13.075 -3.708 7.323 1.00 0.00 H new ATOM 389 N THR A 26 -6.250 -7.160 11.913 1.00 0.00 N ATOM 390 CA THR A 26 -5.436 -7.764 12.961 1.00 0.00 C ATOM 391 C THR A 26 -4.048 -8.120 12.442 1.00 0.00 C ATOM 392 O THR A 26 -3.084 -8.173 13.206 1.00 0.00 O ATOM 393 CB THR A 26 -6.101 -9.034 13.526 1.00 0.00 C ATOM 394 OG1 THR A 26 -5.318 -9.558 14.604 1.00 0.00 O ATOM 395 CG2 THR A 26 -6.257 -10.091 12.444 1.00 0.00 C ATOM 0 H THR A 26 -6.728 -7.830 11.311 1.00 0.00 H new ATOM 0 HA THR A 26 -5.345 -7.025 13.757 1.00 0.00 H new ATOM 0 HB THR A 26 -7.091 -8.766 13.894 1.00 0.00 H new ATOM 0 HG1 THR A 26 -5.748 -10.364 14.959 1.00 0.00 H new ATOM 0 HG21 THR A 26 -6.729 -10.978 12.867 1.00 0.00 H new ATOM 0 HG22 THR A 26 -6.878 -9.699 11.639 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.276 -10.355 12.049 1.00 0.00 H new ATOM 403 N SER A 27 -3.952 -8.364 11.139 1.00 0.00 N ATOM 404 CA SER A 27 -2.681 -8.718 10.518 1.00 0.00 C ATOM 405 C SER A 27 -2.265 -7.667 9.493 1.00 0.00 C ATOM 406 O SER A 27 -1.977 -7.972 8.336 1.00 0.00 O ATOM 407 CB SER A 27 -2.781 -10.089 9.848 1.00 0.00 C ATOM 408 OG SER A 27 -1.507 -10.544 9.425 1.00 0.00 O ATOM 0 H SER A 27 -4.740 -8.323 10.492 1.00 0.00 H new ATOM 0 HA SER A 27 -1.922 -8.758 11.299 1.00 0.00 H new ATOM 0 HB2 SER A 27 -3.214 -10.807 10.544 1.00 0.00 H new ATOM 0 HB3 SER A 27 -3.453 -10.031 8.992 1.00 0.00 H new ATOM 0 HG SER A 27 -1.151 -9.935 8.745 1.00 0.00 H new ATOM 414 N PRO A 28 -2.233 -6.398 9.928 1.00 0.00 N ATOM 415 CA PRO A 28 -1.853 -5.276 9.065 1.00 0.00 C ATOM 416 C PRO A 28 -0.371 -5.294 8.707 1.00 0.00 C ATOM 417 O PRO A 28 0.433 -5.937 9.383 1.00 0.00 O ATOM 418 CB PRO A 28 -2.183 -4.047 9.916 1.00 0.00 C ATOM 419 CG PRO A 28 -2.107 -4.529 11.323 1.00 0.00 C ATOM 420 CD PRO A 28 -2.563 -5.962 11.295 1.00 0.00 C ATOM 0 HA PRO A 28 -2.375 -5.303 8.109 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -1.474 -3.239 9.736 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.175 -3.659 9.683 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -1.090 -4.450 11.708 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -2.742 -3.930 11.976 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -2.047 -6.563 12.044 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -3.631 -6.048 11.498 1.00 0.00 H new ATOM 428 N VAL A 29 -0.015 -4.584 7.641 1.00 0.00 N ATOM 429 CA VAL A 29 1.371 -4.518 7.195 1.00 0.00 C ATOM 430 C VAL A 29 2.022 -3.205 7.616 1.00 0.00 C ATOM 431 O VAL A 29 1.779 -2.159 7.015 1.00 0.00 O ATOM 432 CB VAL A 29 1.476 -4.663 5.665 1.00 0.00 C ATOM 433 CG1 VAL A 29 0.495 -3.731 4.972 1.00 0.00 C ATOM 434 CG2 VAL A 29 2.900 -4.394 5.201 1.00 0.00 C ATOM 0 H VAL A 29 -0.668 -4.047 7.070 1.00 0.00 H new ATOM 0 HA VAL A 29 1.895 -5.348 7.668 1.00 0.00 H new ATOM 0 HB VAL A 29 1.218 -5.687 5.396 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.584 -3.847 3.892 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.521 -3.977 5.281 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.718 -2.700 5.245 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.956 -4.501 4.118 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.189 -3.381 5.481 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.577 -5.107 5.671 1.00 0.00 H new ATOM 444 N VAL A 30 2.852 -3.268 8.652 1.00 0.00 N ATOM 445 CA VAL A 30 3.540 -2.084 9.153 1.00 0.00 C ATOM 446 C VAL A 30 4.917 -1.938 8.517 1.00 0.00 C ATOM 447 O VAL A 30 5.839 -2.696 8.825 1.00 0.00 O ATOM 448 CB VAL A 30 3.696 -2.132 10.685 1.00 0.00 C ATOM 449 CG1 VAL A 30 4.033 -3.542 11.144 1.00 0.00 C ATOM 450 CG2 VAL A 30 4.760 -1.145 11.143 1.00 0.00 C ATOM 0 H VAL A 30 3.064 -4.126 9.161 1.00 0.00 H new ATOM 0 HA VAL A 30 2.927 -1.224 8.884 1.00 0.00 H new ATOM 0 HB VAL A 30 2.747 -1.845 11.138 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.139 -3.556 12.229 1.00 0.00 H new ATOM 0 HG12 VAL A 30 3.233 -4.222 10.849 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.968 -3.861 10.684 1.00 0.00 H new ATOM 0 HG21 VAL A 30 4.857 -1.192 12.228 1.00 0.00 H new ATOM 0 HG22 VAL A 30 5.714 -1.399 10.682 1.00 0.00 H new ATOM 0 HG23 VAL A 30 4.472 -0.136 10.848 1.00 0.00 H new ATOM 460 N LEU A 31 5.052 -0.960 7.629 1.00 0.00 N ATOM 461 CA LEU A 31 6.319 -0.714 6.948 1.00 0.00 C ATOM 462 C LEU A 31 7.104 0.394 7.643 1.00 0.00 C ATOM 463 O LEU A 31 6.539 1.288 8.273 1.00 0.00 O ATOM 464 CB LEU A 31 6.070 -0.338 5.486 1.00 0.00 C ATOM 465 CG LEU A 31 5.082 -1.222 4.724 1.00 0.00 C ATOM 466 CD1 LEU A 31 4.570 -0.506 3.485 1.00 0.00 C ATOM 467 CD2 LEU A 31 5.732 -2.546 4.347 1.00 0.00 C ATOM 0 H LEU A 31 4.300 -0.324 7.363 1.00 0.00 H new ATOM 0 HA LEU A 31 6.908 -1.630 6.986 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.708 0.689 5.453 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.024 -0.357 4.959 1.00 0.00 H new ATOM 0 HG LEU A 31 4.233 -1.429 5.375 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.868 -1.151 2.956 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.066 0.415 3.779 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.408 -0.268 2.830 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.014 -3.162 3.805 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.600 -2.358 3.714 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.048 -3.067 5.251 1.00 0.00 H new ATOM 479 N PRO A 32 8.439 0.336 7.526 1.00 0.00 N ATOM 480 CA PRO A 32 9.331 1.328 8.134 1.00 0.00 C ATOM 481 C PRO A 32 9.232 2.690 7.455 1.00 0.00 C ATOM 482 O PRO A 32 9.400 2.802 6.241 1.00 0.00 O ATOM 483 CB PRO A 32 10.723 0.727 7.927 1.00 0.00 C ATOM 484 CG PRO A 32 10.581 -0.157 6.737 1.00 0.00 C ATOM 485 CD PRO A 32 9.181 -0.702 6.790 1.00 0.00 C ATOM 0 HA PRO A 32 9.083 1.513 9.179 1.00 0.00 H new ATOM 0 HB2 PRO A 32 11.468 1.504 7.756 1.00 0.00 H new ATOM 0 HB3 PRO A 32 11.045 0.163 8.803 1.00 0.00 H new ATOM 0 HG2 PRO A 32 10.748 0.400 5.815 1.00 0.00 H new ATOM 0 HG3 PRO A 32 11.315 -0.963 6.760 1.00 0.00 H new ATOM 0 HD2 PRO A 32 8.772 -0.857 5.792 1.00 0.00 H new ATOM 0 HD3 PRO A 32 9.143 -1.663 7.303 1.00 0.00 H new ATOM 493 N TYR A 33 8.958 3.721 8.246 1.00 0.00 N ATOM 494 CA TYR A 33 8.835 5.076 7.721 1.00 0.00 C ATOM 495 C TYR A 33 9.878 5.337 6.639 1.00 0.00 C ATOM 496 O TYR A 33 9.540 5.608 5.486 1.00 0.00 O ATOM 497 CB TYR A 33 8.986 6.098 8.848 1.00 0.00 C ATOM 498 CG TYR A 33 8.397 7.452 8.521 1.00 0.00 C ATOM 499 CD1 TYR A 33 7.043 7.705 8.706 1.00 0.00 C ATOM 500 CD2 TYR A 33 9.193 8.477 8.025 1.00 0.00 C ATOM 501 CE1 TYR A 33 6.500 8.940 8.408 1.00 0.00 C ATOM 502 CE2 TYR A 33 8.659 9.715 7.725 1.00 0.00 C ATOM 503 CZ TYR A 33 7.312 9.942 7.918 1.00 0.00 C ATOM 504 OH TYR A 33 6.776 11.173 7.620 1.00 0.00 O ATOM 0 H TYR A 33 8.817 3.645 9.253 1.00 0.00 H new ATOM 0 HA TYR A 33 7.844 5.178 7.278 1.00 0.00 H new ATOM 0 HB2 TYR A 33 8.506 5.710 9.746 1.00 0.00 H new ATOM 0 HB3 TYR A 33 10.044 6.218 9.079 1.00 0.00 H new ATOM 0 HD1 TYR A 33 6.404 6.923 9.089 1.00 0.00 H new ATOM 0 HD2 TYR A 33 10.248 8.303 7.871 1.00 0.00 H new ATOM 0 HE1 TYR A 33 5.446 9.120 8.558 1.00 0.00 H new ATOM 0 HE2 TYR A 33 9.293 10.501 7.341 1.00 0.00 H new ATOM 0 HH TYR A 33 7.482 11.765 7.287 1.00 0.00 H new ATOM 514 N SER A 34 11.149 5.254 7.019 1.00 0.00 N ATOM 515 CA SER A 34 12.244 5.484 6.083 1.00 0.00 C ATOM 516 C SER A 34 11.879 4.987 4.688 1.00 0.00 C ATOM 517 O SER A 34 12.237 5.603 3.684 1.00 0.00 O ATOM 518 CB SER A 34 13.515 4.785 6.570 1.00 0.00 C ATOM 519 OG SER A 34 14.507 4.769 5.559 1.00 0.00 O ATOM 0 H SER A 34 11.446 5.029 7.968 1.00 0.00 H new ATOM 0 HA SER A 34 12.426 6.557 6.031 1.00 0.00 H new ATOM 0 HB2 SER A 34 13.899 5.296 7.453 1.00 0.00 H new ATOM 0 HB3 SER A 34 13.280 3.764 6.870 1.00 0.00 H new ATOM 0 HG SER A 34 15.310 4.318 5.895 1.00 0.00 H new ATOM 525 N ARG A 35 11.165 3.867 4.633 1.00 0.00 N ATOM 526 CA ARG A 35 10.753 3.285 3.362 1.00 0.00 C ATOM 527 C ARG A 35 9.256 2.990 3.359 1.00 0.00 C ATOM 528 O ARG A 35 8.833 1.867 3.637 1.00 0.00 O ATOM 529 CB ARG A 35 11.537 2.001 3.086 1.00 0.00 C ATOM 530 CG ARG A 35 13.037 2.218 2.964 1.00 0.00 C ATOM 531 CD ARG A 35 13.400 2.875 1.642 1.00 0.00 C ATOM 532 NE ARG A 35 13.630 1.892 0.587 1.00 0.00 N ATOM 533 CZ ARG A 35 13.593 2.183 -0.709 1.00 0.00 C ATOM 534 NH1 ARG A 35 13.337 3.421 -1.107 1.00 0.00 N ATOM 535 NH2 ARG A 35 13.813 1.233 -1.609 1.00 0.00 N ATOM 0 H ARG A 35 10.860 3.345 5.454 1.00 0.00 H new ATOM 0 HA ARG A 35 10.965 4.008 2.575 1.00 0.00 H new ATOM 0 HB2 ARG A 35 11.345 1.289 3.889 1.00 0.00 H new ATOM 0 HB3 ARG A 35 11.167 1.550 2.165 1.00 0.00 H new ATOM 0 HG2 ARG A 35 13.384 2.841 3.788 1.00 0.00 H new ATOM 0 HG3 ARG A 35 13.552 1.261 3.049 1.00 0.00 H new ATOM 0 HD2 ARG A 35 12.599 3.550 1.340 1.00 0.00 H new ATOM 0 HD3 ARG A 35 14.296 3.482 1.773 1.00 0.00 H new ATOM 0 HE ARG A 35 13.830 0.930 0.860 1.00 0.00 H new ATOM 0 HH11 ARG A 35 13.168 4.154 -0.418 1.00 0.00 H new ATOM 0 HH12 ARG A 35 13.309 3.641 -2.103 1.00 0.00 H new ATOM 0 HH21 ARG A 35 14.011 0.279 -1.306 1.00 0.00 H new ATOM 0 HH22 ARG A 35 13.785 1.456 -2.604 1.00 0.00 H new ATOM 549 N THR A 36 8.458 4.005 3.043 1.00 0.00 N ATOM 550 CA THR A 36 7.009 3.855 3.006 1.00 0.00 C ATOM 551 C THR A 36 6.434 4.387 1.698 1.00 0.00 C ATOM 552 O THR A 36 6.485 5.588 1.428 1.00 0.00 O ATOM 553 CB THR A 36 6.338 4.588 4.184 1.00 0.00 C ATOM 554 OG1 THR A 36 6.979 5.849 4.405 1.00 0.00 O ATOM 555 CG2 THR A 36 6.405 3.750 5.451 1.00 0.00 C ATOM 0 H THR A 36 8.791 4.940 2.809 1.00 0.00 H new ATOM 0 HA THR A 36 6.800 2.788 3.084 1.00 0.00 H new ATOM 0 HB THR A 36 5.290 4.753 3.932 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.857 5.702 4.815 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.925 4.288 6.269 1.00 0.00 H new ATOM 0 HG22 THR A 36 5.891 2.803 5.288 1.00 0.00 H new ATOM 0 HG23 THR A 36 7.447 3.558 5.705 1.00 0.00 H new ATOM 563 N THR A 37 5.886 3.487 0.888 1.00 0.00 N ATOM 564 CA THR A 37 5.302 3.865 -0.392 1.00 0.00 C ATOM 565 C THR A 37 4.571 2.691 -1.032 1.00 0.00 C ATOM 566 O THR A 37 5.004 1.543 -0.922 1.00 0.00 O ATOM 567 CB THR A 37 6.376 4.380 -1.369 1.00 0.00 C ATOM 568 OG1 THR A 37 7.620 3.713 -1.127 1.00 0.00 O ATOM 569 CG2 THR A 37 6.565 5.883 -1.223 1.00 0.00 C ATOM 0 H THR A 37 5.835 2.490 1.096 1.00 0.00 H new ATOM 0 HA THR A 37 4.590 4.666 -0.190 1.00 0.00 H new ATOM 0 HB THR A 37 6.042 4.168 -2.385 1.00 0.00 H new ATOM 0 HG1 THR A 37 8.297 4.045 -1.753 1.00 0.00 H new ATOM 0 HG21 THR A 37 7.328 6.223 -1.923 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.624 6.390 -1.437 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.878 6.113 -0.205 1.00 0.00 H new ATOM 577 N VAL A 38 3.461 2.984 -1.701 1.00 0.00 N ATOM 578 CA VAL A 38 2.670 1.952 -2.361 1.00 0.00 C ATOM 579 C VAL A 38 3.566 0.877 -2.966 1.00 0.00 C ATOM 580 O VAL A 38 3.268 -0.314 -2.878 1.00 0.00 O ATOM 581 CB VAL A 38 1.781 2.548 -3.468 1.00 0.00 C ATOM 582 CG1 VAL A 38 1.026 1.447 -4.197 1.00 0.00 C ATOM 583 CG2 VAL A 38 0.818 3.571 -2.885 1.00 0.00 C ATOM 0 H VAL A 38 3.089 3.928 -1.800 1.00 0.00 H new ATOM 0 HA VAL A 38 2.034 1.504 -1.598 1.00 0.00 H new ATOM 0 HB VAL A 38 2.421 3.056 -4.190 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.403 1.887 -4.976 1.00 0.00 H new ATOM 0 HG12 VAL A 38 1.737 0.756 -4.649 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.396 0.908 -3.490 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.198 3.982 -3.681 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.182 3.090 -2.141 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.383 4.375 -2.414 1.00 0.00 H new ATOM 593 N GLU A 39 4.664 1.306 -3.581 1.00 0.00 N ATOM 594 CA GLU A 39 5.603 0.379 -4.201 1.00 0.00 C ATOM 595 C GLU A 39 6.242 -0.530 -3.155 1.00 0.00 C ATOM 596 O GLU A 39 6.359 -1.739 -3.356 1.00 0.00 O ATOM 597 CB GLU A 39 6.689 1.148 -4.957 1.00 0.00 C ATOM 598 CG GLU A 39 7.488 2.095 -4.078 1.00 0.00 C ATOM 599 CD GLU A 39 8.577 2.822 -4.843 1.00 0.00 C ATOM 600 OE1 GLU A 39 8.371 3.110 -6.040 1.00 0.00 O ATOM 601 OE2 GLU A 39 9.636 3.102 -4.243 1.00 0.00 O ATOM 0 H GLU A 39 4.925 2.289 -3.663 1.00 0.00 H new ATOM 0 HA GLU A 39 5.049 -0.241 -4.906 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.370 0.435 -5.422 1.00 0.00 H new ATOM 0 HB3 GLU A 39 6.225 1.717 -5.762 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.814 2.825 -3.631 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.938 1.533 -3.259 1.00 0.00 H new ATOM 608 N ASP A 40 6.655 0.062 -2.040 1.00 0.00 N ATOM 609 CA ASP A 40 7.282 -0.693 -0.961 1.00 0.00 C ATOM 610 C ASP A 40 6.327 -1.746 -0.408 1.00 0.00 C ATOM 611 O ASP A 40 6.748 -2.829 -0.001 1.00 0.00 O ATOM 612 CB ASP A 40 7.727 0.249 0.158 1.00 0.00 C ATOM 613 CG ASP A 40 8.409 -0.484 1.296 1.00 0.00 C ATOM 614 OD1 ASP A 40 9.191 -1.417 1.016 1.00 0.00 O ATOM 615 OD2 ASP A 40 8.161 -0.127 2.467 1.00 0.00 O ATOM 0 H ASP A 40 6.567 1.062 -1.859 1.00 0.00 H new ATOM 0 HA ASP A 40 8.157 -1.200 -1.367 1.00 0.00 H new ATOM 0 HB2 ASP A 40 8.409 0.996 -0.249 1.00 0.00 H new ATOM 0 HB3 ASP A 40 6.860 0.786 0.543 1.00 0.00 H new ATOM 620 N PHE A 41 5.039 -1.420 -0.395 1.00 0.00 N ATOM 621 CA PHE A 41 4.024 -2.337 0.111 1.00 0.00 C ATOM 622 C PHE A 41 3.805 -3.494 -0.859 1.00 0.00 C ATOM 623 O PHE A 41 3.585 -4.633 -0.443 1.00 0.00 O ATOM 624 CB PHE A 41 2.706 -1.594 0.342 1.00 0.00 C ATOM 625 CG PHE A 41 1.526 -2.507 0.515 1.00 0.00 C ATOM 626 CD1 PHE A 41 1.052 -3.258 -0.548 1.00 0.00 C ATOM 627 CD2 PHE A 41 0.890 -2.614 1.742 1.00 0.00 C ATOM 628 CE1 PHE A 41 -0.033 -4.100 -0.392 1.00 0.00 C ATOM 629 CE2 PHE A 41 -0.195 -3.454 1.904 1.00 0.00 C ATOM 630 CZ PHE A 41 -0.658 -4.197 0.836 1.00 0.00 C ATOM 0 H PHE A 41 4.673 -0.528 -0.729 1.00 0.00 H new ATOM 0 HA PHE A 41 4.376 -2.743 1.059 1.00 0.00 H new ATOM 0 HB2 PHE A 41 2.802 -0.966 1.228 1.00 0.00 H new ATOM 0 HB3 PHE A 41 2.520 -0.929 -0.501 1.00 0.00 H new ATOM 0 HD1 PHE A 41 1.536 -3.185 -1.511 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.247 -2.034 2.581 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -0.391 -4.681 -1.229 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.681 -3.529 2.866 1.00 0.00 H new ATOM 0 HZ PHE A 41 -1.507 -4.853 0.961 1.00 0.00 H new ATOM 640 N CYS A 42 3.866 -3.195 -2.152 1.00 0.00 N ATOM 641 CA CYS A 42 3.673 -4.210 -3.181 1.00 0.00 C ATOM 642 C CYS A 42 4.695 -5.333 -3.036 1.00 0.00 C ATOM 643 O CYS A 42 4.412 -6.488 -3.353 1.00 0.00 O ATOM 644 CB CYS A 42 3.782 -3.583 -4.572 1.00 0.00 C ATOM 645 SG CYS A 42 2.351 -2.582 -5.044 1.00 0.00 S ATOM 0 H CYS A 42 4.048 -2.258 -2.512 1.00 0.00 H new ATOM 0 HA CYS A 42 2.676 -4.632 -3.057 1.00 0.00 H new ATOM 0 HB2 CYS A 42 4.676 -2.960 -4.609 1.00 0.00 H new ATOM 0 HB3 CYS A 42 3.915 -4.377 -5.307 1.00 0.00 H new ATOM 0 HG CYS A 42 2.328 -1.495 -4.332 1.00 0.00 H new ATOM 651 N MET A 43 5.884 -4.985 -2.555 1.00 0.00 N ATOM 652 CA MET A 43 6.949 -5.965 -2.368 1.00 0.00 C ATOM 653 C MET A 43 6.561 -6.993 -1.310 1.00 0.00 C ATOM 654 O MET A 43 6.685 -8.199 -1.527 1.00 0.00 O ATOM 655 CB MET A 43 8.249 -5.266 -1.965 1.00 0.00 C ATOM 656 CG MET A 43 8.907 -4.505 -3.104 1.00 0.00 C ATOM 657 SD MET A 43 9.410 -5.581 -4.460 1.00 0.00 S ATOM 658 CE MET A 43 8.752 -4.685 -5.865 1.00 0.00 C ATOM 0 H MET A 43 6.135 -4.033 -2.288 1.00 0.00 H new ATOM 0 HA MET A 43 7.103 -6.484 -3.314 1.00 0.00 H new ATOM 0 HB2 MET A 43 8.042 -4.574 -1.148 1.00 0.00 H new ATOM 0 HB3 MET A 43 8.949 -6.010 -1.583 1.00 0.00 H new ATOM 0 HG2 MET A 43 8.214 -3.752 -3.481 1.00 0.00 H new ATOM 0 HG3 MET A 43 9.780 -3.974 -2.724 1.00 0.00 H new ATOM 0 HE1 MET A 43 9.029 -5.198 -6.786 1.00 0.00 H new ATOM 0 HE2 MET A 43 7.666 -4.636 -5.789 1.00 0.00 H new ATOM 0 HE3 MET A 43 9.161 -3.675 -5.876 1.00 0.00 H new ATOM 668 N LYS A 44 6.093 -6.510 -0.165 1.00 0.00 N ATOM 669 CA LYS A 44 5.686 -7.386 0.927 1.00 0.00 C ATOM 670 C LYS A 44 4.875 -8.567 0.404 1.00 0.00 C ATOM 671 O LYS A 44 4.996 -9.686 0.904 1.00 0.00 O ATOM 672 CB LYS A 44 4.865 -6.606 1.956 1.00 0.00 C ATOM 673 CG LYS A 44 5.709 -5.941 3.030 1.00 0.00 C ATOM 674 CD LYS A 44 5.953 -6.873 4.205 1.00 0.00 C ATOM 675 CE LYS A 44 6.457 -6.115 5.423 1.00 0.00 C ATOM 676 NZ LYS A 44 7.278 -6.980 6.314 1.00 0.00 N ATOM 0 H LYS A 44 5.986 -5.515 0.031 1.00 0.00 H new ATOM 0 HA LYS A 44 6.587 -7.770 1.406 1.00 0.00 H new ATOM 0 HB2 LYS A 44 4.282 -5.843 1.440 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.155 -7.283 2.431 1.00 0.00 H new ATOM 0 HG2 LYS A 44 6.664 -5.633 2.604 1.00 0.00 H new ATOM 0 HG3 LYS A 44 5.209 -5.037 3.379 1.00 0.00 H new ATOM 0 HD2 LYS A 44 5.029 -7.393 4.456 1.00 0.00 H new ATOM 0 HD3 LYS A 44 6.680 -7.634 3.922 1.00 0.00 H new ATOM 0 HE2 LYS A 44 7.051 -5.260 5.099 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.608 -5.720 5.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 7.603 -6.426 7.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.704 -7.782 6.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 8.102 -7.337 5.789 1.00 0.00 H new ATOM 690 N ILE A 45 4.050 -8.311 -0.606 1.00 0.00 N ATOM 691 CA ILE A 45 3.221 -9.354 -1.198 1.00 0.00 C ATOM 692 C ILE A 45 4.019 -10.193 -2.190 1.00 0.00 C ATOM 693 O ILE A 45 4.266 -11.377 -1.961 1.00 0.00 O ATOM 694 CB ILE A 45 1.995 -8.759 -1.915 1.00 0.00 C ATOM 695 CG1 ILE A 45 1.190 -7.883 -0.954 1.00 0.00 C ATOM 696 CG2 ILE A 45 1.124 -9.870 -2.484 1.00 0.00 C ATOM 697 CD1 ILE A 45 1.083 -8.456 0.442 1.00 0.00 C ATOM 0 H ILE A 45 3.938 -7.391 -1.031 1.00 0.00 H new ATOM 0 HA ILE A 45 2.880 -9.989 -0.380 1.00 0.00 H new ATOM 0 HB ILE A 45 2.341 -8.136 -2.740 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.653 -6.898 -0.899 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.187 -7.742 -1.358 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.261 -9.434 -2.988 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.703 -10.457 -3.197 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.783 -10.516 -1.675 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.499 -7.782 1.068 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.592 -9.428 0.400 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.081 -8.571 0.865 1.00 0.00 H new ATOM 709 N HIS A 46 4.423 -9.570 -3.293 1.00 0.00 N ATOM 710 CA HIS A 46 5.196 -10.259 -4.320 1.00 0.00 C ATOM 711 C HIS A 46 6.252 -9.334 -4.918 1.00 0.00 C ATOM 712 O HIS A 46 5.963 -8.189 -5.268 1.00 0.00 O ATOM 713 CB HIS A 46 4.272 -10.777 -5.423 1.00 0.00 C ATOM 714 CG HIS A 46 4.766 -12.028 -6.081 1.00 0.00 C ATOM 715 ND1 HIS A 46 5.421 -12.033 -7.294 1.00 0.00 N ATOM 716 CD2 HIS A 46 4.700 -13.321 -5.686 1.00 0.00 C ATOM 717 CE1 HIS A 46 5.735 -13.274 -7.618 1.00 0.00 C ATOM 718 NE2 HIS A 46 5.308 -14.076 -6.659 1.00 0.00 N ATOM 0 H HIS A 46 4.228 -8.590 -3.498 1.00 0.00 H new ATOM 0 HA HIS A 46 5.701 -11.104 -3.853 1.00 0.00 H new ATOM 0 HB2 HIS A 46 3.285 -10.964 -5.000 1.00 0.00 H new ATOM 0 HB3 HIS A 46 4.153 -10.001 -6.179 1.00 0.00 H new ATOM 0 HD2 HIS A 46 4.252 -13.690 -4.775 1.00 0.00 H new ATOM 0 HE1 HIS A 46 6.253 -13.581 -8.515 1.00 0.00 H new ATOM 0 HE2 HIS A 46 5.413 -15.090 -6.644 1.00 0.00 H new ATOM 727 N LYS A 47 7.477 -9.836 -5.030 1.00 0.00 N ATOM 728 CA LYS A 47 8.576 -9.056 -5.585 1.00 0.00 C ATOM 729 C LYS A 47 8.281 -8.647 -7.024 1.00 0.00 C ATOM 730 O LYS A 47 8.796 -7.642 -7.512 1.00 0.00 O ATOM 731 CB LYS A 47 9.878 -9.859 -5.529 1.00 0.00 C ATOM 732 CG LYS A 47 10.196 -10.406 -4.148 1.00 0.00 C ATOM 733 CD LYS A 47 11.678 -10.704 -3.993 1.00 0.00 C ATOM 734 CE LYS A 47 12.023 -12.094 -4.507 1.00 0.00 C ATOM 735 NZ LYS A 47 13.356 -12.548 -4.021 1.00 0.00 N ATOM 0 H LYS A 47 7.734 -10.781 -4.743 1.00 0.00 H new ATOM 0 HA LYS A 47 8.687 -8.153 -4.985 1.00 0.00 H new ATOM 0 HB2 LYS A 47 9.814 -10.688 -6.233 1.00 0.00 H new ATOM 0 HB3 LYS A 47 10.701 -9.224 -5.858 1.00 0.00 H new ATOM 0 HG2 LYS A 47 9.888 -9.685 -3.391 1.00 0.00 H new ATOM 0 HG3 LYS A 47 9.621 -11.316 -3.975 1.00 0.00 H new ATOM 0 HD2 LYS A 47 12.259 -9.959 -4.537 1.00 0.00 H new ATOM 0 HD3 LYS A 47 11.959 -10.623 -2.943 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.258 -12.801 -4.185 1.00 0.00 H new ATOM 0 HE3 LYS A 47 12.015 -12.091 -5.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 13.555 -13.499 -4.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 14.089 -11.887 -4.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 13.356 -12.575 -2.981 1.00 0.00 H new ATOM 749 N ASN A 48 7.447 -9.432 -7.699 1.00 0.00 N ATOM 750 CA ASN A 48 7.082 -9.150 -9.082 1.00 0.00 C ATOM 751 C ASN A 48 5.633 -8.683 -9.179 1.00 0.00 C ATOM 752 O ASN A 48 4.914 -9.044 -10.111 1.00 0.00 O ATOM 753 CB ASN A 48 7.288 -10.393 -9.949 1.00 0.00 C ATOM 754 CG ASN A 48 6.794 -10.196 -11.369 1.00 0.00 C ATOM 755 OD1 ASN A 48 7.382 -9.235 -12.072 1.00 0.00 O flip ATOM 756 ND2 ASN A 48 5.894 -10.900 -11.829 1.00 0.00 N flip ATOM 0 H ASN A 48 7.011 -10.268 -7.310 1.00 0.00 H new ATOM 0 HA ASN A 48 7.727 -8.350 -9.445 1.00 0.00 H new ATOM 0 HB2 ASN A 48 8.348 -10.648 -9.968 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.765 -11.237 -9.499 1.00 0.00 H new ATOM 0 HD21 ASN A 48 5.470 -11.627 -11.253 1.00 0.00 H new ATOM 0 HD22 ASN A 48 5.572 -10.756 -12.786 1.00 0.00 H new ATOM 763 N LEU A 49 5.211 -7.878 -8.210 1.00 0.00 N ATOM 764 CA LEU A 49 3.847 -7.360 -8.185 1.00 0.00 C ATOM 765 C LEU A 49 3.784 -5.963 -8.794 1.00 0.00 C ATOM 766 O LEU A 49 2.969 -5.698 -9.679 1.00 0.00 O ATOM 767 CB LEU A 49 3.320 -7.327 -6.749 1.00 0.00 C ATOM 768 CG LEU A 49 2.050 -6.506 -6.520 1.00 0.00 C ATOM 769 CD1 LEU A 49 0.948 -6.952 -7.468 1.00 0.00 C ATOM 770 CD2 LEU A 49 1.592 -6.625 -5.073 1.00 0.00 C ATOM 0 H LEU A 49 5.793 -7.570 -7.431 1.00 0.00 H new ATOM 0 HA LEU A 49 3.221 -8.024 -8.781 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.129 -8.351 -6.429 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.105 -6.933 -6.104 1.00 0.00 H new ATOM 0 HG LEU A 49 2.275 -5.459 -6.724 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.052 -6.357 -7.290 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.277 -6.815 -8.498 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.724 -8.005 -7.296 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.687 -6.035 -4.928 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.384 -7.670 -4.842 1.00 0.00 H new ATOM 0 HD23 LEU A 49 2.376 -6.256 -4.412 1.00 0.00 H new ATOM 782 N ILE A 50 4.650 -5.076 -8.317 1.00 0.00 N ATOM 783 CA ILE A 50 4.694 -3.707 -8.818 1.00 0.00 C ATOM 784 C ILE A 50 4.629 -3.677 -10.341 1.00 0.00 C ATOM 785 O ILE A 50 4.026 -2.780 -10.930 1.00 0.00 O ATOM 786 CB ILE A 50 5.971 -2.980 -8.355 1.00 0.00 C ATOM 787 CG1 ILE A 50 5.909 -1.501 -8.741 1.00 0.00 C ATOM 788 CG2 ILE A 50 7.203 -3.639 -8.956 1.00 0.00 C ATOM 789 CD1 ILE A 50 5.069 -0.665 -7.801 1.00 0.00 C ATOM 0 H ILE A 50 5.330 -5.280 -7.585 1.00 0.00 H new ATOM 0 HA ILE A 50 3.824 -3.193 -8.410 1.00 0.00 H new ATOM 0 HB ILE A 50 6.039 -3.051 -7.269 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.921 -1.098 -8.766 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.506 -1.414 -9.750 1.00 0.00 H new ATOM 0 HG21 ILE A 50 8.097 -3.114 -8.620 1.00 0.00 H new ATOM 0 HG22 ILE A 50 7.251 -4.680 -8.636 1.00 0.00 H new ATOM 0 HG23 ILE A 50 7.145 -3.596 -10.044 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.071 0.372 -8.136 1.00 0.00 H new ATOM 0 HD12 ILE A 50 4.046 -1.042 -7.794 1.00 0.00 H new ATOM 0 HD13 ILE A 50 5.484 -0.721 -6.795 1.00 0.00 H new ATOM 801 N LYS A 51 5.253 -4.665 -10.974 1.00 0.00 N ATOM 802 CA LYS A 51 5.264 -4.755 -12.430 1.00 0.00 C ATOM 803 C LYS A 51 3.843 -4.809 -12.982 1.00 0.00 C ATOM 804 O LYS A 51 3.524 -4.139 -13.964 1.00 0.00 O ATOM 805 CB LYS A 51 6.045 -5.992 -12.879 1.00 0.00 C ATOM 806 CG LYS A 51 7.547 -5.862 -12.697 1.00 0.00 C ATOM 807 CD LYS A 51 7.958 -6.107 -11.255 1.00 0.00 C ATOM 808 CE LYS A 51 9.470 -6.179 -11.110 1.00 0.00 C ATOM 809 NZ LYS A 51 10.086 -7.047 -12.153 1.00 0.00 N ATOM 0 H LYS A 51 5.758 -5.415 -10.502 1.00 0.00 H new ATOM 0 HA LYS A 51 5.753 -3.863 -12.821 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.693 -6.857 -12.317 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.830 -6.185 -13.930 1.00 0.00 H new ATOM 0 HG2 LYS A 51 8.056 -6.574 -13.347 1.00 0.00 H new ATOM 0 HG3 LYS A 51 7.866 -4.866 -13.003 1.00 0.00 H new ATOM 0 HD2 LYS A 51 7.569 -5.308 -10.624 1.00 0.00 H new ATOM 0 HD3 LYS A 51 7.513 -7.037 -10.902 1.00 0.00 H new ATOM 0 HE2 LYS A 51 9.890 -5.175 -11.178 1.00 0.00 H new ATOM 0 HE3 LYS A 51 9.722 -6.564 -10.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 10.978 -7.443 -11.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 9.434 -7.822 -12.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 10.277 -6.483 -13.006 1.00 0.00 H new ATOM 823 N GLU A 52 2.995 -5.608 -12.344 1.00 0.00 N ATOM 824 CA GLU A 52 1.608 -5.748 -12.773 1.00 0.00 C ATOM 825 C GLU A 52 0.724 -4.695 -12.109 1.00 0.00 C ATOM 826 O GLU A 52 -0.379 -4.412 -12.574 1.00 0.00 O ATOM 827 CB GLU A 52 1.087 -7.148 -12.443 1.00 0.00 C ATOM 828 CG GLU A 52 2.077 -8.256 -12.761 1.00 0.00 C ATOM 829 CD GLU A 52 2.172 -8.544 -14.247 1.00 0.00 C ATOM 830 OE1 GLU A 52 1.327 -9.310 -14.757 1.00 0.00 O ATOM 831 OE2 GLU A 52 3.090 -8.005 -14.899 1.00 0.00 O ATOM 0 H GLU A 52 3.243 -6.168 -11.529 1.00 0.00 H new ATOM 0 HA GLU A 52 1.572 -5.600 -13.852 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.833 -7.192 -11.384 1.00 0.00 H new ATOM 0 HB3 GLU A 52 0.166 -7.324 -12.999 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.061 -7.978 -12.385 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.781 -9.165 -12.237 1.00 0.00 H new ATOM 838 N PHE A 53 1.219 -4.119 -11.018 1.00 0.00 N ATOM 839 CA PHE A 53 0.475 -3.099 -10.288 1.00 0.00 C ATOM 840 C PHE A 53 -0.008 -2.000 -11.230 1.00 0.00 C ATOM 841 O PHE A 53 0.747 -1.510 -12.070 1.00 0.00 O ATOM 842 CB PHE A 53 1.345 -2.495 -9.184 1.00 0.00 C ATOM 843 CG PHE A 53 0.892 -1.133 -8.742 1.00 0.00 C ATOM 844 CD1 PHE A 53 -0.072 -0.995 -7.757 1.00 0.00 C ATOM 845 CD2 PHE A 53 1.430 0.010 -9.313 1.00 0.00 C ATOM 846 CE1 PHE A 53 -0.491 0.257 -7.347 1.00 0.00 C ATOM 847 CE2 PHE A 53 1.015 1.264 -8.907 1.00 0.00 C ATOM 848 CZ PHE A 53 0.053 1.388 -7.924 1.00 0.00 C ATOM 0 H PHE A 53 2.132 -4.341 -10.620 1.00 0.00 H new ATOM 0 HA PHE A 53 -0.396 -3.574 -9.835 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.345 -3.166 -8.325 1.00 0.00 H new ATOM 0 HB3 PHE A 53 2.374 -2.430 -9.538 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.502 -1.876 -7.304 1.00 0.00 H new ATOM 0 HD2 PHE A 53 2.181 -0.081 -10.083 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.242 0.351 -6.577 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.443 2.147 -9.358 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.273 2.367 -7.607 1.00 0.00 H new ATOM 858 N LYS A 54 -1.272 -1.617 -11.084 1.00 0.00 N ATOM 859 CA LYS A 54 -1.858 -0.576 -11.920 1.00 0.00 C ATOM 860 C LYS A 54 -2.127 0.687 -11.108 1.00 0.00 C ATOM 861 O LYS A 54 -1.639 1.767 -11.441 1.00 0.00 O ATOM 862 CB LYS A 54 -3.159 -1.074 -12.554 1.00 0.00 C ATOM 863 CG LYS A 54 -3.594 -0.265 -13.764 1.00 0.00 C ATOM 864 CD LYS A 54 -4.865 -0.825 -14.381 1.00 0.00 C ATOM 865 CE LYS A 54 -5.642 0.248 -15.128 1.00 0.00 C ATOM 866 NZ LYS A 54 -5.157 0.411 -16.527 1.00 0.00 N ATOM 0 H LYS A 54 -1.911 -2.012 -10.394 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.146 -0.335 -12.709 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.034 -2.116 -12.850 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -3.951 -1.048 -11.806 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.757 0.772 -13.470 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -2.797 -0.264 -14.508 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.612 -1.635 -15.065 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -5.493 -1.252 -13.599 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.701 -0.011 -15.138 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.551 1.197 -14.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.712 1.151 -17.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.153 0.683 -16.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -5.267 -0.487 -17.039 1.00 0.00 H new ATOM 880 N TYR A 55 -2.904 0.543 -10.040 1.00 0.00 N ATOM 881 CA TYR A 55 -3.237 1.673 -9.180 1.00 0.00 C ATOM 882 C TYR A 55 -3.614 1.199 -7.780 1.00 0.00 C ATOM 883 O TYR A 55 -3.711 -0.001 -7.523 1.00 0.00 O ATOM 884 CB TYR A 55 -4.388 2.478 -9.785 1.00 0.00 C ATOM 885 CG TYR A 55 -5.651 1.671 -9.989 1.00 0.00 C ATOM 886 CD1 TYR A 55 -6.547 1.472 -8.946 1.00 0.00 C ATOM 887 CD2 TYR A 55 -5.946 1.107 -11.224 1.00 0.00 C ATOM 888 CE1 TYR A 55 -7.701 0.735 -9.127 1.00 0.00 C ATOM 889 CE2 TYR A 55 -7.099 0.370 -11.414 1.00 0.00 C ATOM 890 CZ TYR A 55 -7.973 0.186 -10.363 1.00 0.00 C ATOM 891 OH TYR A 55 -9.121 -0.549 -10.549 1.00 0.00 O ATOM 0 H TYR A 55 -3.315 -0.344 -9.749 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.357 2.311 -9.103 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.609 3.325 -9.135 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -4.069 2.887 -10.744 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -6.338 1.901 -7.977 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -5.263 1.247 -12.049 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -8.387 0.589 -8.305 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -7.315 -0.060 -12.381 1.00 0.00 H new ATOM 0 HH TYR A 55 -9.162 -0.863 -11.476 1.00 0.00 H new ATOM 901 N ALA A 56 -3.827 2.151 -6.877 1.00 0.00 N ATOM 902 CA ALA A 56 -4.196 1.833 -5.504 1.00 0.00 C ATOM 903 C ALA A 56 -5.314 2.745 -5.010 1.00 0.00 C ATOM 904 O ALA A 56 -5.280 3.957 -5.224 1.00 0.00 O ATOM 905 CB ALA A 56 -2.983 1.942 -4.592 1.00 0.00 C ATOM 0 H ALA A 56 -3.750 3.149 -7.073 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.563 0.807 -5.482 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.274 1.702 -3.569 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.214 1.244 -4.924 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.591 2.958 -4.628 1.00 0.00 H new ATOM 911 N LEU A 57 -6.305 2.155 -4.351 1.00 0.00 N ATOM 912 CA LEU A 57 -7.435 2.914 -3.827 1.00 0.00 C ATOM 913 C LEU A 57 -7.311 3.106 -2.319 1.00 0.00 C ATOM 914 O LEU A 57 -7.568 2.186 -1.543 1.00 0.00 O ATOM 915 CB LEU A 57 -8.749 2.203 -4.156 1.00 0.00 C ATOM 916 CG LEU A 57 -8.974 1.855 -5.628 1.00 0.00 C ATOM 917 CD1 LEU A 57 -10.033 0.772 -5.765 1.00 0.00 C ATOM 918 CD2 LEU A 57 -9.372 3.096 -6.414 1.00 0.00 C ATOM 0 H LEU A 57 -6.349 1.153 -4.167 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.432 3.896 -4.301 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.796 1.282 -3.574 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.573 2.833 -3.822 1.00 0.00 H new ATOM 0 HG LEU A 57 -8.039 1.473 -6.039 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -10.179 0.538 -6.819 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -9.708 -0.124 -5.236 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -10.972 1.125 -5.338 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -9.528 2.830 -7.459 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -10.294 3.507 -6.003 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -8.579 3.841 -6.344 1.00 0.00 H new ATOM 930 N VAL A 58 -6.917 4.308 -1.911 1.00 0.00 N ATOM 931 CA VAL A 58 -6.762 4.622 -0.496 1.00 0.00 C ATOM 932 C VAL A 58 -8.088 5.052 0.120 1.00 0.00 C ATOM 933 O VAL A 58 -8.851 5.803 -0.487 1.00 0.00 O ATOM 934 CB VAL A 58 -5.722 5.737 -0.279 1.00 0.00 C ATOM 935 CG1 VAL A 58 -5.700 6.171 1.179 1.00 0.00 C ATOM 936 CG2 VAL A 58 -4.343 5.274 -0.726 1.00 0.00 C ATOM 0 H VAL A 58 -6.699 5.080 -2.541 1.00 0.00 H new ATOM 0 HA VAL A 58 -6.415 3.712 -0.006 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.006 6.597 -0.885 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.959 6.959 1.313 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -6.684 6.546 1.462 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.441 5.319 1.808 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -3.621 6.074 -0.565 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.048 4.398 -0.148 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.371 5.017 -1.785 1.00 0.00 H new ATOM 946 N TRP A 59 -8.355 4.572 1.329 1.00 0.00 N ATOM 947 CA TRP A 59 -9.591 4.908 2.029 1.00 0.00 C ATOM 948 C TRP A 59 -9.297 5.437 3.428 1.00 0.00 C ATOM 949 O TRP A 59 -9.211 4.671 4.386 1.00 0.00 O ATOM 950 CB TRP A 59 -10.502 3.682 2.114 1.00 0.00 C ATOM 951 CG TRP A 59 -11.133 3.318 0.804 1.00 0.00 C ATOM 952 CD1 TRP A 59 -12.189 3.940 0.203 1.00 0.00 C ATOM 953 CD2 TRP A 59 -10.747 2.247 -0.064 1.00 0.00 C ATOM 954 NE1 TRP A 59 -12.484 3.320 -0.988 1.00 0.00 N ATOM 955 CE2 TRP A 59 -11.614 2.279 -1.175 1.00 0.00 C ATOM 956 CE3 TRP A 59 -9.754 1.266 -0.013 1.00 0.00 C ATOM 957 CZ2 TRP A 59 -11.515 1.367 -2.222 1.00 0.00 C ATOM 958 CZ3 TRP A 59 -9.658 0.360 -1.053 1.00 0.00 C ATOM 959 CH2 TRP A 59 -10.534 0.416 -2.145 1.00 0.00 C ATOM 0 H TRP A 59 -7.733 3.949 1.845 1.00 0.00 H new ATOM 0 HA TRP A 59 -10.099 5.690 1.465 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -9.924 2.833 2.479 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -11.286 3.871 2.847 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -12.715 4.794 0.604 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -13.230 3.591 -1.629 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -9.073 1.216 0.824 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -12.189 1.408 -3.065 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -8.895 -0.404 -1.023 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -10.433 -0.306 -2.942 1.00 0.00 H new ATOM 970 N GLY A 60 -9.144 6.754 3.538 1.00 0.00 N ATOM 971 CA GLY A 60 -8.862 7.362 4.825 1.00 0.00 C ATOM 972 C GLY A 60 -8.752 8.872 4.741 1.00 0.00 C ATOM 973 O GLY A 60 -9.276 9.489 3.813 1.00 0.00 O ATOM 0 H GLY A 60 -9.210 7.409 2.759 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -9.650 7.097 5.529 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.931 6.954 5.220 1.00 0.00 H new ATOM 977 N LEU A 61 -8.070 9.468 5.712 1.00 0.00 N ATOM 978 CA LEU A 61 -7.894 10.916 5.746 1.00 0.00 C ATOM 979 C LEU A 61 -6.814 11.356 4.762 1.00 0.00 C ATOM 980 O LEU A 61 -6.916 12.418 4.147 1.00 0.00 O ATOM 981 CB LEU A 61 -7.530 11.373 7.159 1.00 0.00 C ATOM 982 CG LEU A 61 -8.401 10.822 8.288 1.00 0.00 C ATOM 983 CD1 LEU A 61 -7.597 10.707 9.575 1.00 0.00 C ATOM 984 CD2 LEU A 61 -9.623 11.703 8.498 1.00 0.00 C ATOM 0 H LEU A 61 -7.630 8.971 6.487 1.00 0.00 H new ATOM 0 HA LEU A 61 -8.837 11.379 5.454 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -6.495 11.092 7.355 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -7.576 12.462 7.190 1.00 0.00 H new ATOM 0 HG LEU A 61 -8.741 9.826 8.005 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -8.233 10.313 10.368 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -6.754 10.034 9.418 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -7.227 11.691 9.862 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -10.231 11.295 9.305 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -9.304 12.712 8.758 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -10.211 11.734 7.581 1.00 0.00 H new ATOM 996 N SER A 62 -5.782 10.532 4.618 1.00 0.00 N ATOM 997 CA SER A 62 -4.682 10.836 3.710 1.00 0.00 C ATOM 998 C SER A 62 -5.193 11.527 2.449 1.00 0.00 C ATOM 999 O SER A 62 -4.564 12.453 1.936 1.00 0.00 O ATOM 1000 CB SER A 62 -3.932 9.556 3.335 1.00 0.00 C ATOM 1001 OG SER A 62 -4.808 8.603 2.758 1.00 0.00 O ATOM 0 H SER A 62 -5.684 9.649 5.118 1.00 0.00 H new ATOM 0 HA SER A 62 -3.998 11.512 4.223 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.132 9.792 2.633 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.462 9.132 4.223 1.00 0.00 H new ATOM 0 HG SER A 62 -4.807 7.787 3.301 1.00 0.00 H new ATOM 1007 N VAL A 63 -6.339 11.070 1.955 1.00 0.00 N ATOM 1008 CA VAL A 63 -6.937 11.643 0.755 1.00 0.00 C ATOM 1009 C VAL A 63 -8.185 12.450 1.095 1.00 0.00 C ATOM 1010 O VAL A 63 -8.867 12.173 2.082 1.00 0.00 O ATOM 1011 CB VAL A 63 -7.307 10.550 -0.265 1.00 0.00 C ATOM 1012 CG1 VAL A 63 -6.054 9.883 -0.812 1.00 0.00 C ATOM 1013 CG2 VAL A 63 -8.234 9.523 0.368 1.00 0.00 C ATOM 0 H VAL A 63 -6.872 10.304 2.367 1.00 0.00 H new ATOM 0 HA VAL A 63 -6.190 12.303 0.313 1.00 0.00 H new ATOM 0 HB VAL A 63 -7.833 11.018 -1.097 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.336 9.114 -1.531 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -5.430 10.629 -1.304 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -5.497 9.428 0.007 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -8.485 8.758 -0.367 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.736 9.059 1.219 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -9.146 10.015 0.706 1.00 0.00 H new ATOM 1023 N LYS A 64 -8.480 13.449 0.270 1.00 0.00 N ATOM 1024 CA LYS A 64 -9.647 14.296 0.481 1.00 0.00 C ATOM 1025 C LYS A 64 -10.920 13.595 0.017 1.00 0.00 C ATOM 1026 O LYS A 64 -11.903 13.519 0.754 1.00 0.00 O ATOM 1027 CB LYS A 64 -9.482 15.622 -0.265 1.00 0.00 C ATOM 1028 CG LYS A 64 -8.806 16.704 0.559 1.00 0.00 C ATOM 1029 CD LYS A 64 -7.293 16.577 0.513 1.00 0.00 C ATOM 1030 CE LYS A 64 -6.773 15.691 1.634 1.00 0.00 C ATOM 1031 NZ LYS A 64 -6.799 16.389 2.949 1.00 0.00 N ATOM 0 H LYS A 64 -7.926 13.692 -0.551 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.732 14.495 1.549 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -8.900 15.450 -1.170 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -10.463 15.977 -0.580 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -9.101 17.685 0.186 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -9.146 16.641 1.593 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -6.991 16.163 -0.449 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.841 17.566 0.590 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -7.377 14.786 1.691 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -5.753 15.380 1.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -6.285 15.822 3.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -6.346 17.321 2.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -7.785 16.513 3.257 1.00 0.00 H new ATOM 1045 N HIS A 65 -10.894 13.081 -1.209 1.00 0.00 N ATOM 1046 CA HIS A 65 -12.045 12.384 -1.771 1.00 0.00 C ATOM 1047 C HIS A 65 -11.678 10.954 -2.158 1.00 0.00 C ATOM 1048 O HIS A 65 -10.812 10.733 -3.004 1.00 0.00 O ATOM 1049 CB HIS A 65 -12.578 13.135 -2.991 1.00 0.00 C ATOM 1050 CG HIS A 65 -12.734 14.607 -2.767 1.00 0.00 C ATOM 1051 ND1 HIS A 65 -13.886 15.173 -2.263 1.00 0.00 N ATOM 1052 CD2 HIS A 65 -11.875 15.631 -2.980 1.00 0.00 C ATOM 1053 CE1 HIS A 65 -13.730 16.482 -2.177 1.00 0.00 C ATOM 1054 NE2 HIS A 65 -12.518 16.786 -2.605 1.00 0.00 N ATOM 0 H HIS A 65 -10.088 13.134 -1.832 1.00 0.00 H new ATOM 0 HA HIS A 65 -12.824 12.347 -1.009 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -11.902 12.973 -3.831 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -13.543 12.714 -3.273 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -10.871 15.555 -3.372 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -14.468 17.184 -1.818 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -12.123 17.726 -2.650 1.00 0.00 H new ATOM 1063 N ASN A 66 -12.342 9.988 -1.533 1.00 0.00 N ATOM 1064 CA ASN A 66 -12.084 8.579 -1.812 1.00 0.00 C ATOM 1065 C ASN A 66 -13.346 7.885 -2.314 1.00 0.00 C ATOM 1066 O ASN A 66 -14.467 8.345 -2.096 1.00 0.00 O ATOM 1067 CB ASN A 66 -11.567 7.876 -0.556 1.00 0.00 C ATOM 1068 CG ASN A 66 -12.103 8.498 0.718 1.00 0.00 C ATOM 1069 OD1 ASN A 66 -11.979 9.704 0.933 1.00 0.00 O ATOM 1070 ND2 ASN A 66 -12.704 7.676 1.571 1.00 0.00 N ATOM 0 H ASN A 66 -13.062 10.154 -0.830 1.00 0.00 H new ATOM 0 HA ASN A 66 -11.324 8.521 -2.591 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -11.850 6.824 -0.590 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -10.478 7.913 -0.545 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -13.085 8.038 2.445 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -12.784 6.683 1.352 1.00 0.00 H new ATOM 1077 N PRO A 67 -13.162 6.749 -3.004 1.00 0.00 N ATOM 1078 CA PRO A 67 -11.832 6.192 -3.271 1.00 0.00 C ATOM 1079 C PRO A 67 -11.038 7.037 -4.261 1.00 0.00 C ATOM 1080 O PRO A 67 -11.589 7.550 -5.234 1.00 0.00 O ATOM 1081 CB PRO A 67 -12.138 4.816 -3.867 1.00 0.00 C ATOM 1082 CG PRO A 67 -13.499 4.952 -4.458 1.00 0.00 C ATOM 1083 CD PRO A 67 -14.237 5.921 -3.576 1.00 0.00 C ATOM 0 HA PRO A 67 -11.217 6.155 -2.372 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -11.404 4.540 -4.624 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -12.114 4.039 -3.102 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -13.445 5.320 -5.483 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -14.008 3.989 -4.492 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -14.947 6.521 -4.145 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -14.804 5.407 -2.800 1.00 0.00 H new ATOM 1091 N GLN A 68 -9.741 7.178 -4.004 1.00 0.00 N ATOM 1092 CA GLN A 68 -8.872 7.961 -4.874 1.00 0.00 C ATOM 1093 C GLN A 68 -7.806 7.079 -5.517 1.00 0.00 C ATOM 1094 O GLN A 68 -7.148 6.289 -4.840 1.00 0.00 O ATOM 1095 CB GLN A 68 -8.208 9.090 -4.083 1.00 0.00 C ATOM 1096 CG GLN A 68 -7.325 9.990 -4.933 1.00 0.00 C ATOM 1097 CD GLN A 68 -6.926 11.263 -4.213 1.00 0.00 C ATOM 1098 OE1 GLN A 68 -7.774 11.988 -3.692 1.00 0.00 O ATOM 1099 NE2 GLN A 68 -5.628 11.543 -4.179 1.00 0.00 N ATOM 0 H GLN A 68 -9.270 6.761 -3.201 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.485 8.392 -5.665 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.982 9.695 -3.610 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.608 8.658 -3.282 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -6.427 9.444 -5.222 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -7.852 10.247 -5.852 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -4.959 10.915 -4.624 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -5.300 12.386 -3.708 1.00 0.00 H new ATOM 1108 N LYS A 69 -7.642 7.219 -6.828 1.00 0.00 N ATOM 1109 CA LYS A 69 -6.656 6.436 -7.563 1.00 0.00 C ATOM 1110 C LYS A 69 -5.248 6.972 -7.324 1.00 0.00 C ATOM 1111 O LYS A 69 -4.911 8.075 -7.754 1.00 0.00 O ATOM 1112 CB LYS A 69 -6.973 6.455 -9.060 1.00 0.00 C ATOM 1113 CG LYS A 69 -6.219 5.403 -9.855 1.00 0.00 C ATOM 1114 CD LYS A 69 -6.833 5.196 -11.229 1.00 0.00 C ATOM 1115 CE LYS A 69 -7.915 4.127 -11.201 1.00 0.00 C ATOM 1116 NZ LYS A 69 -8.796 4.198 -12.399 1.00 0.00 N ATOM 0 H LYS A 69 -8.179 7.868 -7.403 1.00 0.00 H new ATOM 0 HA LYS A 69 -6.701 5.409 -7.201 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.044 6.304 -9.198 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -6.735 7.440 -9.461 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -5.177 5.705 -9.963 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.223 4.460 -9.308 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -7.257 6.135 -11.584 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -6.055 4.909 -11.937 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -7.451 3.142 -11.149 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -8.517 4.243 -10.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -9.520 3.453 -12.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -9.259 5.129 -12.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -8.226 4.061 -13.258 1.00 0.00 H new ATOM 1130 N VAL A 70 -4.428 6.183 -6.637 1.00 0.00 N ATOM 1131 CA VAL A 70 -3.055 6.577 -6.344 1.00 0.00 C ATOM 1132 C VAL A 70 -2.062 5.756 -7.158 1.00 0.00 C ATOM 1133 O VAL A 70 -2.424 4.752 -7.770 1.00 0.00 O ATOM 1134 CB VAL A 70 -2.733 6.415 -4.846 1.00 0.00 C ATOM 1135 CG1 VAL A 70 -3.721 7.201 -3.999 1.00 0.00 C ATOM 1136 CG2 VAL A 70 -2.736 4.944 -4.457 1.00 0.00 C ATOM 0 H VAL A 70 -4.691 5.267 -6.273 1.00 0.00 H new ATOM 0 HA VAL A 70 -2.962 7.628 -6.617 1.00 0.00 H new ATOM 0 HB VAL A 70 -1.736 6.814 -4.661 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.477 7.074 -2.944 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.664 8.258 -4.260 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.731 6.835 -4.185 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.507 4.848 -3.396 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -3.719 4.517 -4.656 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.984 4.412 -5.040 1.00 0.00 H new ATOM 1146 N GLY A 71 -0.805 6.189 -7.159 1.00 0.00 N ATOM 1147 CA GLY A 71 0.223 5.482 -7.901 1.00 0.00 C ATOM 1148 C GLY A 71 1.221 4.790 -6.994 1.00 0.00 C ATOM 1149 O GLY A 71 1.084 4.818 -5.771 1.00 0.00 O ATOM 0 H GLY A 71 -0.480 7.017 -6.659 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -0.246 4.743 -8.551 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.750 6.185 -8.546 1.00 0.00 H new ATOM 1153 N LYS A 72 2.228 4.165 -7.594 1.00 0.00 N ATOM 1154 CA LYS A 72 3.254 3.462 -6.833 1.00 0.00 C ATOM 1155 C LYS A 72 4.086 4.439 -6.008 1.00 0.00 C ATOM 1156 O LYS A 72 4.651 4.071 -4.978 1.00 0.00 O ATOM 1157 CB LYS A 72 4.164 2.670 -7.775 1.00 0.00 C ATOM 1158 CG LYS A 72 4.894 3.537 -8.786 1.00 0.00 C ATOM 1159 CD LYS A 72 5.927 2.738 -9.563 1.00 0.00 C ATOM 1160 CE LYS A 72 6.552 3.567 -10.675 1.00 0.00 C ATOM 1161 NZ LYS A 72 5.629 3.727 -11.833 1.00 0.00 N ATOM 0 H LYS A 72 2.356 4.131 -8.605 1.00 0.00 H new ATOM 0 HA LYS A 72 2.756 2.771 -6.152 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.897 2.121 -7.183 1.00 0.00 H new ATOM 0 HB3 LYS A 72 3.566 1.930 -8.308 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.175 3.974 -9.479 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.384 4.364 -8.271 1.00 0.00 H new ATOM 0 HD2 LYS A 72 6.706 2.391 -8.884 1.00 0.00 H new ATOM 0 HD3 LYS A 72 5.458 1.851 -9.989 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.822 4.549 -10.288 1.00 0.00 H new ATOM 0 HE3 LYS A 72 7.474 3.091 -11.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 6.115 4.239 -12.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 5.337 2.790 -12.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 4.789 4.264 -11.536 1.00 0.00 H new ATOM 1175 N ASP A 73 4.154 5.684 -6.466 1.00 0.00 N ATOM 1176 CA ASP A 73 4.914 6.714 -5.769 1.00 0.00 C ATOM 1177 C ASP A 73 4.145 7.230 -4.556 1.00 0.00 C ATOM 1178 O ASP A 73 4.737 7.734 -3.601 1.00 0.00 O ATOM 1179 CB ASP A 73 5.233 7.872 -6.716 1.00 0.00 C ATOM 1180 CG ASP A 73 6.127 8.916 -6.075 1.00 0.00 C ATOM 1181 OD1 ASP A 73 7.237 8.554 -5.632 1.00 0.00 O ATOM 1182 OD2 ASP A 73 5.715 10.094 -6.015 1.00 0.00 O ATOM 0 H ASP A 73 3.692 6.004 -7.317 1.00 0.00 H new ATOM 0 HA ASP A 73 5.847 6.270 -5.423 1.00 0.00 H new ATOM 0 HB2 ASP A 73 5.718 7.482 -7.611 1.00 0.00 H new ATOM 0 HB3 ASP A 73 4.303 8.342 -7.037 1.00 0.00 H new ATOM 1187 N HIS A 74 2.823 7.101 -4.601 1.00 0.00 N ATOM 1188 CA HIS A 74 1.973 7.554 -3.507 1.00 0.00 C ATOM 1189 C HIS A 74 2.517 7.077 -2.163 1.00 0.00 C ATOM 1190 O HIS A 74 2.906 5.919 -2.014 1.00 0.00 O ATOM 1191 CB HIS A 74 0.543 7.048 -3.700 1.00 0.00 C ATOM 1192 CG HIS A 74 -0.399 7.486 -2.621 1.00 0.00 C ATOM 1193 ND1 HIS A 74 -1.169 8.626 -2.711 1.00 0.00 N ATOM 1194 CD2 HIS A 74 -0.693 6.928 -1.423 1.00 0.00 C ATOM 1195 CE1 HIS A 74 -1.895 8.752 -1.615 1.00 0.00 C ATOM 1196 NE2 HIS A 74 -1.626 7.734 -0.817 1.00 0.00 N ATOM 0 H HIS A 74 2.317 6.686 -5.384 1.00 0.00 H new ATOM 0 HA HIS A 74 1.968 8.644 -3.511 1.00 0.00 H new ATOM 0 HB2 HIS A 74 0.169 7.399 -4.662 1.00 0.00 H new ATOM 0 HB3 HIS A 74 0.554 5.959 -3.741 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -0.273 6.019 -1.019 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -2.591 9.551 -1.406 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -2.043 7.573 0.100 1.00 0.00 H new ATOM 1205 N THR A 75 2.541 7.979 -1.186 1.00 0.00 N ATOM 1206 CA THR A 75 3.038 7.651 0.144 1.00 0.00 C ATOM 1207 C THR A 75 1.935 7.058 1.013 1.00 0.00 C ATOM 1208 O THR A 75 0.844 7.619 1.117 1.00 0.00 O ATOM 1209 CB THR A 75 3.620 8.892 0.848 1.00 0.00 C ATOM 1210 OG1 THR A 75 4.567 9.542 -0.008 1.00 0.00 O ATOM 1211 CG2 THR A 75 4.292 8.507 2.157 1.00 0.00 C ATOM 0 H THR A 75 2.222 8.942 -1.291 1.00 0.00 H new ATOM 0 HA THR A 75 3.829 6.913 0.012 1.00 0.00 H new ATOM 0 HB THR A 75 2.800 9.576 1.067 1.00 0.00 H new ATOM 0 HG1 THR A 75 4.931 10.331 0.446 1.00 0.00 H new ATOM 0 HG21 THR A 75 4.695 9.400 2.635 1.00 0.00 H new ATOM 0 HG22 THR A 75 3.561 8.040 2.817 1.00 0.00 H new ATOM 0 HG23 THR A 75 5.102 7.805 1.958 1.00 0.00 H new ATOM 1219 N LEU A 76 2.226 5.922 1.636 1.00 0.00 N ATOM 1220 CA LEU A 76 1.258 5.252 2.498 1.00 0.00 C ATOM 1221 C LEU A 76 1.252 5.870 3.892 1.00 0.00 C ATOM 1222 O LEU A 76 2.307 6.105 4.481 1.00 0.00 O ATOM 1223 CB LEU A 76 1.576 3.759 2.590 1.00 0.00 C ATOM 1224 CG LEU A 76 1.106 2.899 1.416 1.00 0.00 C ATOM 1225 CD1 LEU A 76 1.855 1.575 1.391 1.00 0.00 C ATOM 1226 CD2 LEU A 76 -0.395 2.663 1.494 1.00 0.00 C ATOM 0 H LEU A 76 3.124 5.445 1.561 1.00 0.00 H new ATOM 0 HA LEU A 76 0.268 5.380 2.060 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.655 3.643 2.690 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.128 3.368 3.503 1.00 0.00 H new ATOM 0 HG LEU A 76 1.322 3.433 0.491 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.507 0.976 0.549 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.923 1.763 1.286 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.671 1.036 2.320 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.711 2.049 0.651 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.635 2.151 2.426 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.916 3.620 1.462 1.00 0.00 H new ATOM 1238 N GLU A 77 0.057 6.127 4.415 1.00 0.00 N ATOM 1239 CA GLU A 77 -0.085 6.716 5.741 1.00 0.00 C ATOM 1240 C GLU A 77 -0.504 5.662 6.762 1.00 0.00 C ATOM 1241 O GLU A 77 -1.166 4.682 6.422 1.00 0.00 O ATOM 1242 CB GLU A 77 -1.111 7.851 5.712 1.00 0.00 C ATOM 1243 CG GLU A 77 -0.678 9.043 4.876 1.00 0.00 C ATOM 1244 CD GLU A 77 0.173 10.026 5.657 1.00 0.00 C ATOM 1245 OE1 GLU A 77 -0.343 10.614 6.630 1.00 0.00 O ATOM 1246 OE2 GLU A 77 1.354 10.206 5.294 1.00 0.00 O ATOM 0 H GLU A 77 -0.826 5.937 3.941 1.00 0.00 H new ATOM 0 HA GLU A 77 0.883 7.119 6.037 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -2.053 7.467 5.321 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -1.301 8.184 6.732 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -0.117 8.690 4.011 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -1.562 9.555 4.496 1.00 0.00 H new ATOM 1253 N ASP A 78 -0.112 5.872 8.014 1.00 0.00 N ATOM 1254 CA ASP A 78 -0.446 4.941 9.086 1.00 0.00 C ATOM 1255 C ASP A 78 -1.958 4.835 9.261 1.00 0.00 C ATOM 1256 O ASP A 78 -2.674 5.831 9.167 1.00 0.00 O ATOM 1257 CB ASP A 78 0.202 5.386 10.398 1.00 0.00 C ATOM 1258 CG ASP A 78 -0.169 6.808 10.773 1.00 0.00 C ATOM 1259 OD1 ASP A 78 -1.322 7.028 11.200 1.00 0.00 O ATOM 1260 OD2 ASP A 78 0.695 7.700 10.641 1.00 0.00 O ATOM 0 H ASP A 78 0.437 6.678 8.312 1.00 0.00 H new ATOM 0 HA ASP A 78 -0.059 3.959 8.815 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -0.103 4.711 11.198 1.00 0.00 H new ATOM 0 HB3 ASP A 78 1.286 5.307 10.310 1.00 0.00 H new ATOM 1265 N GLU A 79 -2.435 3.621 9.515 1.00 0.00 N ATOM 1266 CA GLU A 79 -3.862 3.385 9.702 1.00 0.00 C ATOM 1267 C GLU A 79 -4.640 3.728 8.434 1.00 0.00 C ATOM 1268 O GLU A 79 -5.626 4.464 8.479 1.00 0.00 O ATOM 1269 CB GLU A 79 -4.389 4.212 10.876 1.00 0.00 C ATOM 1270 CG GLU A 79 -3.654 3.953 12.181 1.00 0.00 C ATOM 1271 CD GLU A 79 -3.796 5.097 13.167 1.00 0.00 C ATOM 1272 OE1 GLU A 79 -4.917 5.305 13.677 1.00 0.00 O ATOM 1273 OE2 GLU A 79 -2.786 5.783 13.428 1.00 0.00 O ATOM 0 H GLU A 79 -1.855 2.786 9.596 1.00 0.00 H new ATOM 0 HA GLU A 79 -4.004 2.327 9.920 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.310 5.271 10.628 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.448 3.995 11.016 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -4.036 3.038 12.634 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.597 3.787 11.972 1.00 0.00 H new ATOM 1280 N ASP A 80 -4.190 3.190 7.307 1.00 0.00 N ATOM 1281 CA ASP A 80 -4.843 3.438 6.027 1.00 0.00 C ATOM 1282 C ASP A 80 -5.060 2.133 5.266 1.00 0.00 C ATOM 1283 O ASP A 80 -4.217 1.236 5.297 1.00 0.00 O ATOM 1284 CB ASP A 80 -4.008 4.402 5.182 1.00 0.00 C ATOM 1285 CG ASP A 80 -4.497 4.490 3.750 1.00 0.00 C ATOM 1286 OD1 ASP A 80 -5.727 4.443 3.540 1.00 0.00 O ATOM 1287 OD2 ASP A 80 -3.650 4.605 2.839 1.00 0.00 O ATOM 0 H ASP A 80 -3.375 2.579 7.253 1.00 0.00 H new ATOM 0 HA ASP A 80 -5.815 3.889 6.225 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -4.036 5.394 5.634 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -2.967 4.078 5.188 1.00 0.00 H new ATOM 1292 N VAL A 81 -6.196 2.034 4.583 1.00 0.00 N ATOM 1293 CA VAL A 81 -6.524 0.840 3.814 1.00 0.00 C ATOM 1294 C VAL A 81 -6.228 1.042 2.332 1.00 0.00 C ATOM 1295 O VAL A 81 -6.667 2.021 1.729 1.00 0.00 O ATOM 1296 CB VAL A 81 -8.006 0.454 3.982 1.00 0.00 C ATOM 1297 CG1 VAL A 81 -8.343 -0.756 3.123 1.00 0.00 C ATOM 1298 CG2 VAL A 81 -8.323 0.185 5.445 1.00 0.00 C ATOM 0 H VAL A 81 -6.905 2.767 4.547 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.900 0.034 4.200 1.00 0.00 H new ATOM 0 HB VAL A 81 -8.622 1.289 3.648 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -9.394 -1.014 3.254 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -8.155 -0.522 2.075 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -7.722 -1.600 3.423 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -9.374 -0.086 5.546 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -7.701 -0.633 5.808 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -8.122 1.081 6.032 1.00 0.00 H new ATOM 1308 N ILE A 82 -5.481 0.109 1.751 1.00 0.00 N ATOM 1309 CA ILE A 82 -5.127 0.184 0.339 1.00 0.00 C ATOM 1310 C ILE A 82 -5.602 -1.055 -0.413 1.00 0.00 C ATOM 1311 O ILE A 82 -5.770 -2.123 0.175 1.00 0.00 O ATOM 1312 CB ILE A 82 -3.606 0.336 0.147 1.00 0.00 C ATOM 1313 CG1 ILE A 82 -3.275 0.537 -1.333 1.00 0.00 C ATOM 1314 CG2 ILE A 82 -2.879 -0.881 0.698 1.00 0.00 C ATOM 1315 CD1 ILE A 82 -1.843 0.958 -1.580 1.00 0.00 C ATOM 0 H ILE A 82 -5.109 -0.708 2.236 1.00 0.00 H new ATOM 0 HA ILE A 82 -5.626 1.065 -0.065 1.00 0.00 H new ATOM 0 HB ILE A 82 -3.270 1.215 0.697 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -3.470 -0.391 -1.870 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -3.944 1.291 -1.747 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.805 -0.759 0.555 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -3.094 -0.983 1.762 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -3.216 -1.775 0.173 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.680 1.082 -2.651 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.649 1.902 -1.072 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -1.168 0.193 -1.196 1.00 0.00 H new ATOM 1327 N GLN A 83 -5.815 -0.904 -1.716 1.00 0.00 N ATOM 1328 CA GLN A 83 -6.269 -2.011 -2.549 1.00 0.00 C ATOM 1329 C GLN A 83 -5.395 -2.153 -3.790 1.00 0.00 C ATOM 1330 O GLN A 83 -5.592 -1.451 -4.783 1.00 0.00 O ATOM 1331 CB GLN A 83 -7.728 -1.804 -2.958 1.00 0.00 C ATOM 1332 CG GLN A 83 -8.170 -2.695 -4.107 1.00 0.00 C ATOM 1333 CD GLN A 83 -8.064 -4.171 -3.775 1.00 0.00 C ATOM 1334 OE1 GLN A 83 -6.992 -4.767 -3.878 1.00 0.00 O ATOM 1335 NE2 GLN A 83 -9.180 -4.769 -3.373 1.00 0.00 N ATOM 0 H GLN A 83 -5.681 -0.026 -2.218 1.00 0.00 H new ATOM 0 HA GLN A 83 -6.190 -2.928 -1.965 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -8.368 -1.992 -2.096 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -7.873 -0.761 -3.241 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -9.201 -2.459 -4.369 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -7.560 -2.479 -4.984 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -10.047 -4.236 -3.302 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -9.170 -5.761 -3.135 1.00 0.00 H new ATOM 1344 N ILE A 84 -4.430 -3.064 -3.728 1.00 0.00 N ATOM 1345 CA ILE A 84 -3.527 -3.297 -4.848 1.00 0.00 C ATOM 1346 C ILE A 84 -4.223 -4.067 -5.965 1.00 0.00 C ATOM 1347 O ILE A 84 -4.590 -5.230 -5.797 1.00 0.00 O ATOM 1348 CB ILE A 84 -2.273 -4.076 -4.407 1.00 0.00 C ATOM 1349 CG1 ILE A 84 -1.463 -3.255 -3.403 1.00 0.00 C ATOM 1350 CG2 ILE A 84 -1.422 -4.436 -5.615 1.00 0.00 C ATOM 1351 CD1 ILE A 84 -1.047 -1.898 -3.927 1.00 0.00 C ATOM 0 H ILE A 84 -4.253 -3.653 -2.914 1.00 0.00 H new ATOM 0 HA ILE A 84 -3.225 -2.317 -5.219 1.00 0.00 H new ATOM 0 HB ILE A 84 -2.589 -4.999 -3.921 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -2.053 -3.120 -2.496 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.572 -3.816 -3.123 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -0.540 -4.986 -5.288 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.003 -5.056 -6.298 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.112 -3.525 -6.127 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -0.476 -1.372 -3.162 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -0.430 -2.025 -4.817 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -1.934 -1.318 -4.181 1.00 0.00 H new ATOM 1363 N VAL A 85 -4.402 -3.410 -7.107 1.00 0.00 N ATOM 1364 CA VAL A 85 -5.052 -4.033 -8.253 1.00 0.00 C ATOM 1365 C VAL A 85 -4.033 -4.417 -9.321 1.00 0.00 C ATOM 1366 O VAL A 85 -3.043 -3.716 -9.530 1.00 0.00 O ATOM 1367 CB VAL A 85 -6.106 -3.099 -8.877 1.00 0.00 C ATOM 1368 CG1 VAL A 85 -7.187 -2.761 -7.862 1.00 0.00 C ATOM 1369 CG2 VAL A 85 -5.449 -1.835 -9.410 1.00 0.00 C ATOM 0 H VAL A 85 -4.106 -2.446 -7.263 1.00 0.00 H new ATOM 0 HA VAL A 85 -5.546 -4.933 -7.886 1.00 0.00 H new ATOM 0 HB VAL A 85 -6.576 -3.617 -9.713 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -7.923 -2.100 -8.320 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -7.677 -3.678 -7.534 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -6.737 -2.262 -7.003 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -6.208 -1.187 -9.847 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -4.951 -1.312 -8.594 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -4.716 -2.100 -10.172 1.00 0.00 H new ATOM 1379 N LYS A 86 -4.284 -5.534 -9.996 1.00 0.00 N ATOM 1380 CA LYS A 86 -3.391 -6.011 -11.045 1.00 0.00 C ATOM 1381 C LYS A 86 -4.015 -5.816 -12.422 1.00 0.00 C ATOM 1382 O LYS A 86 -5.122 -6.286 -12.686 1.00 0.00 O ATOM 1383 CB LYS A 86 -3.060 -7.490 -10.828 1.00 0.00 C ATOM 1384 CG LYS A 86 -2.460 -7.785 -9.464 1.00 0.00 C ATOM 1385 CD LYS A 86 -1.979 -9.223 -9.366 1.00 0.00 C ATOM 1386 CE LYS A 86 -1.506 -9.558 -7.960 1.00 0.00 C ATOM 1387 NZ LYS A 86 -1.083 -10.981 -7.841 1.00 0.00 N ATOM 0 H LYS A 86 -5.099 -6.126 -9.835 1.00 0.00 H new ATOM 0 HA LYS A 86 -2.471 -5.428 -10.997 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -3.969 -8.079 -10.951 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -2.363 -7.815 -11.600 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -1.626 -7.108 -9.278 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -3.203 -7.595 -8.690 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -2.786 -9.898 -9.650 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -1.165 -9.385 -10.073 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -0.673 -8.908 -7.693 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -2.308 -9.357 -7.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -0.768 -11.169 -6.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -1.885 -11.602 -8.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -0.301 -11.167 -8.501 1.00 0.00 H new ATOM 1401 N LYS A 87 -3.299 -5.120 -13.299 1.00 0.00 N ATOM 1402 CA LYS A 87 -3.781 -4.865 -14.651 1.00 0.00 C ATOM 1403 C LYS A 87 -4.519 -6.079 -15.204 1.00 0.00 C ATOM 1404 O LYS A 87 -4.215 -7.218 -14.847 1.00 0.00 O ATOM 1405 CB LYS A 87 -2.613 -4.502 -15.571 1.00 0.00 C ATOM 1406 CG LYS A 87 -1.972 -3.165 -15.241 1.00 0.00 C ATOM 1407 CD LYS A 87 -0.607 -3.025 -15.895 1.00 0.00 C ATOM 1408 CE LYS A 87 0.220 -1.936 -15.230 1.00 0.00 C ATOM 1409 NZ LYS A 87 1.392 -1.544 -16.061 1.00 0.00 N ATOM 0 H LYS A 87 -2.382 -4.722 -13.097 1.00 0.00 H new ATOM 0 HA LYS A 87 -4.477 -4.027 -14.609 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -1.856 -5.284 -15.509 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -2.966 -4.482 -16.602 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -2.622 -2.356 -15.576 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -1.871 -3.066 -14.160 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -0.075 -3.975 -15.836 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -0.731 -2.794 -16.953 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -0.407 -1.062 -15.051 1.00 0.00 H new ATOM 0 HE3 LYS A 87 0.565 -2.285 -14.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 1.930 -0.800 -15.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 2.004 -2.372 -16.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 1.062 -1.187 -16.980 1.00 0.00 H new ATOM 1423 N SER A 88 -5.489 -5.829 -16.078 1.00 0.00 N ATOM 1424 CA SER A 88 -6.272 -6.903 -16.678 1.00 0.00 C ATOM 1425 C SER A 88 -5.937 -7.057 -18.159 1.00 0.00 C ATOM 1426 O SER A 88 -6.328 -6.233 -18.984 1.00 0.00 O ATOM 1427 CB SER A 88 -7.768 -6.629 -16.508 1.00 0.00 C ATOM 1428 OG SER A 88 -8.539 -7.757 -16.883 1.00 0.00 O ATOM 0 H SER A 88 -5.751 -4.893 -16.386 1.00 0.00 H new ATOM 0 HA SER A 88 -6.020 -7.832 -16.167 1.00 0.00 H new ATOM 0 HB2 SER A 88 -7.978 -6.370 -15.470 1.00 0.00 H new ATOM 0 HB3 SER A 88 -8.055 -5.770 -17.115 1.00 0.00 H new ATOM 0 HG SER A 88 -9.491 -7.557 -16.764 1.00 0.00 H new ATOM 1434 N GLY A 89 -5.209 -8.120 -18.487 1.00 0.00 N ATOM 1435 CA GLY A 89 -4.833 -8.365 -19.867 1.00 0.00 C ATOM 1436 C GLY A 89 -5.101 -9.793 -20.297 1.00 0.00 C ATOM 1437 O GLY A 89 -5.937 -10.490 -19.722 1.00 0.00 O ATOM 0 H GLY A 89 -4.873 -8.816 -17.821 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -5.383 -7.684 -20.516 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -3.774 -8.143 -19.996 1.00 0.00 H new ATOM 1441 N PRO A 90 -4.382 -10.248 -21.334 1.00 0.00 N ATOM 1442 CA PRO A 90 -4.531 -11.606 -21.865 1.00 0.00 C ATOM 1443 C PRO A 90 -3.999 -12.665 -20.906 1.00 0.00 C ATOM 1444 O PRO A 90 -4.077 -13.862 -21.181 1.00 0.00 O ATOM 1445 CB PRO A 90 -3.696 -11.579 -23.148 1.00 0.00 C ATOM 1446 CG PRO A 90 -2.688 -10.506 -22.921 1.00 0.00 C ATOM 1447 CD PRO A 90 -3.369 -9.471 -22.068 1.00 0.00 C ATOM 0 HA PRO A 90 -5.577 -11.868 -22.026 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -3.216 -12.541 -23.329 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -4.315 -11.363 -24.019 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -1.803 -10.901 -22.423 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -2.356 -10.076 -23.866 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -2.668 -8.984 -21.391 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -3.824 -8.687 -22.673 1.00 0.00 H new ATOM 1455 N SER A 91 -3.457 -12.216 -19.778 1.00 0.00 N ATOM 1456 CA SER A 91 -2.909 -13.126 -18.778 1.00 0.00 C ATOM 1457 C SER A 91 -3.952 -13.458 -17.715 1.00 0.00 C ATOM 1458 O SER A 91 -4.455 -12.571 -17.025 1.00 0.00 O ATOM 1459 CB SER A 91 -1.673 -12.510 -18.121 1.00 0.00 C ATOM 1460 OG SER A 91 -0.548 -12.586 -18.979 1.00 0.00 O ATOM 0 H SER A 91 -3.386 -11.228 -19.534 1.00 0.00 H new ATOM 0 HA SER A 91 -2.622 -14.049 -19.281 1.00 0.00 H new ATOM 0 HB2 SER A 91 -1.872 -11.468 -17.869 1.00 0.00 H new ATOM 0 HB3 SER A 91 -1.457 -13.028 -17.187 1.00 0.00 H new ATOM 0 HG SER A 91 0.229 -12.184 -18.537 1.00 0.00 H new ATOM 1466 N SER A 92 -4.273 -14.742 -17.591 1.00 0.00 N ATOM 1467 CA SER A 92 -5.259 -15.192 -16.615 1.00 0.00 C ATOM 1468 C SER A 92 -5.056 -14.492 -15.275 1.00 0.00 C ATOM 1469 O SER A 92 -3.986 -13.950 -15.001 1.00 0.00 O ATOM 1470 CB SER A 92 -5.170 -16.708 -16.431 1.00 0.00 C ATOM 1471 OG SER A 92 -5.671 -17.390 -17.568 1.00 0.00 O ATOM 0 H SER A 92 -3.865 -15.489 -18.154 1.00 0.00 H new ATOM 0 HA SER A 92 -6.250 -14.937 -16.991 1.00 0.00 H new ATOM 0 HB2 SER A 92 -4.133 -16.996 -16.258 1.00 0.00 H new ATOM 0 HB3 SER A 92 -5.735 -17.004 -15.547 1.00 0.00 H new ATOM 0 HG SER A 92 -5.602 -18.357 -17.426 1.00 0.00 H new ATOM 1477 N GLY A 93 -6.092 -14.510 -14.442 1.00 0.00 N ATOM 1478 CA GLY A 93 -6.008 -13.875 -13.139 1.00 0.00 C ATOM 1479 C GLY A 93 -6.782 -14.628 -12.076 1.00 0.00 C ATOM 1480 O GLY A 93 -6.196 -15.329 -11.251 1.00 0.00 O ATOM 0 H GLY A 93 -6.988 -14.953 -14.646 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -4.962 -13.803 -12.840 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -6.390 -12.857 -13.209 1.00 0.00 H new TER 1484 GLY A 93