USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 834 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 68 GLN : amide:sc= -0.881 K(o=-0.88,f=-2.2!) USER MOD Set 1.2: A 71 GLN : amide:sc= 0 X(o=-0.88,f=-0.88) USER MOD Set 2.1: A 15 ASN : amide:sc= -0.174 X(o=1.1,f=0.65!) USER MOD Set 2.2: A 19 THR OG1 : rot 65:sc= 1.27 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 110:sc= -0.158 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 63:sc= 0.644 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot -104:sc= 0.56 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 HIS : no HE2:sc= -2.01 K(o=-2,f=-11!) USER MOD Single : A 32 GLN : amide:sc= -0.0383 X(o=-0.038,f=-0.049) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 0:sc= -2.37 USER MOD Single : A 39 ASN : amide:sc= -1.92 K(o=-1.9,f=-2.7!) USER MOD Single : A 40 CYS SG : rot 34:sc= -2.96 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -7.15! C(o=-7.2!,f=-8.8!) USER MOD Single : A 57 ASN : amide:sc= -1.36 K(o=-1.4,f=-0.48) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -1.36 X(o=-1.4,f=-1.3) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.0378 USER MOD Single : A 67 GLN : amide:sc= -0.16 K(o=-0.16,f=-1.5!) USER MOD Single : A 69 THR OG1 : rot 120:sc= -0.763 USER MOD Single : A 75 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00179) USER MOD Single : A 78 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0294) USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 80 HIS : no HD1:sc= -1.6 K(o=-1.6,f=-0.43) USER MOD Single : A 86 LYS NZ :NH3+ -160:sc= -0.0531 (180deg=-0.342) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -0.152 X(o=-0.15,f=-0.63) USER MOD Single : A 97 ASN : amide:sc= -0.319 X(o=-0.32,f=-0.096) USER MOD Single : A 98 ASN : amide:sc= -0.564 X(o=-0.56,f=-0.12) USER MOD Single : A 99 GLN : amide:sc= -0.121 K(o=-0.12,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 25.333 -6.868 -9.336 1.00 0.00 N ATOM 2 CA GLY A 1 26.252 -6.000 -8.624 1.00 0.00 C ATOM 3 C GLY A 1 26.256 -6.260 -7.131 1.00 0.00 C ATOM 4 O GLY A 1 25.213 -6.197 -6.480 1.00 0.00 O ATOM 0 H1 GLY A 1 25.367 -6.651 -10.352 1.00 0.00 H new ATOM 0 H2 GLY A 1 25.605 -7.860 -9.185 1.00 0.00 H new ATOM 0 H3 GLY A 1 24.367 -6.716 -8.982 1.00 0.00 H new ATOM 0 HA2 GLY A 1 27.259 -6.141 -9.017 1.00 0.00 H new ATOM 0 HA3 GLY A 1 25.981 -4.960 -8.808 1.00 0.00 H new ATOM 8 N SER A 2 27.432 -6.556 -6.586 1.00 0.00 N ATOM 9 CA SER A 2 27.566 -6.832 -5.160 1.00 0.00 C ATOM 10 C SER A 2 27.580 -5.537 -4.355 1.00 0.00 C ATOM 11 O SER A 2 26.777 -5.354 -3.439 1.00 0.00 O ATOM 12 CB SER A 2 28.846 -7.626 -4.892 1.00 0.00 C ATOM 13 OG SER A 2 29.108 -7.717 -3.502 1.00 0.00 O ATOM 0 H SER A 2 28.305 -6.611 -7.110 1.00 0.00 H new ATOM 0 HA SER A 2 26.706 -7.424 -4.847 1.00 0.00 H new ATOM 0 HB2 SER A 2 28.752 -8.627 -5.314 1.00 0.00 H new ATOM 0 HB3 SER A 2 29.687 -7.146 -5.393 1.00 0.00 H new ATOM 0 HG SER A 2 29.930 -8.230 -3.357 1.00 0.00 H new ATOM 19 N SER A 3 28.497 -4.640 -4.703 1.00 0.00 N ATOM 20 CA SER A 3 28.619 -3.362 -4.010 1.00 0.00 C ATOM 21 C SER A 3 28.529 -2.200 -4.995 1.00 0.00 C ATOM 22 O SER A 3 29.438 -1.976 -5.793 1.00 0.00 O ATOM 23 CB SER A 3 29.942 -3.297 -3.246 1.00 0.00 C ATOM 24 OG SER A 3 30.154 -2.005 -2.703 1.00 0.00 O ATOM 0 H SER A 3 29.167 -4.774 -5.461 1.00 0.00 H new ATOM 0 HA SER A 3 27.795 -3.280 -3.302 1.00 0.00 H new ATOM 0 HB2 SER A 3 29.940 -4.036 -2.445 1.00 0.00 H new ATOM 0 HB3 SER A 3 30.764 -3.554 -3.914 1.00 0.00 H new ATOM 0 HG SER A 3 31.005 -1.990 -2.218 1.00 0.00 H new ATOM 30 N GLY A 4 27.424 -1.463 -4.931 1.00 0.00 N ATOM 31 CA GLY A 4 27.234 -0.333 -5.822 1.00 0.00 C ATOM 32 C GLY A 4 25.780 -0.133 -6.202 1.00 0.00 C ATOM 33 O GLY A 4 25.346 -0.565 -7.270 1.00 0.00 O ATOM 0 H GLY A 4 26.658 -1.628 -4.279 1.00 0.00 H new ATOM 0 HA2 GLY A 4 27.609 0.571 -5.342 1.00 0.00 H new ATOM 0 HA3 GLY A 4 27.825 -0.483 -6.725 1.00 0.00 H new ATOM 37 N SER A 5 25.026 0.522 -5.326 1.00 0.00 N ATOM 38 CA SER A 5 23.611 0.774 -5.573 1.00 0.00 C ATOM 39 C SER A 5 23.356 2.260 -5.809 1.00 0.00 C ATOM 40 O SER A 5 24.259 3.085 -5.668 1.00 0.00 O ATOM 41 CB SER A 5 22.770 0.281 -4.394 1.00 0.00 C ATOM 42 OG SER A 5 22.867 1.168 -3.293 1.00 0.00 O ATOM 0 H SER A 5 25.371 0.888 -4.439 1.00 0.00 H new ATOM 0 HA SER A 5 23.321 0.227 -6.470 1.00 0.00 H new ATOM 0 HB2 SER A 5 21.728 0.189 -4.700 1.00 0.00 H new ATOM 0 HB3 SER A 5 23.104 -0.713 -4.095 1.00 0.00 H new ATOM 0 HG SER A 5 22.014 1.635 -3.173 1.00 0.00 H new ATOM 48 N SER A 6 22.120 2.593 -6.167 1.00 0.00 N ATOM 49 CA SER A 6 21.747 3.978 -6.426 1.00 0.00 C ATOM 50 C SER A 6 20.916 4.541 -5.276 1.00 0.00 C ATOM 51 O SER A 6 20.087 3.842 -4.695 1.00 0.00 O ATOM 52 CB SER A 6 20.961 4.081 -7.735 1.00 0.00 C ATOM 53 OG SER A 6 21.834 4.145 -8.850 1.00 0.00 O ATOM 0 H SER A 6 21.360 1.922 -6.284 1.00 0.00 H new ATOM 0 HA SER A 6 22.662 4.564 -6.512 1.00 0.00 H new ATOM 0 HB2 SER A 6 20.301 3.220 -7.835 1.00 0.00 H new ATOM 0 HB3 SER A 6 20.327 4.968 -7.714 1.00 0.00 H new ATOM 0 HG SER A 6 21.308 4.209 -9.674 1.00 0.00 H new ATOM 59 N GLY A 7 21.147 5.810 -4.954 1.00 0.00 N ATOM 60 CA GLY A 7 20.413 6.446 -3.875 1.00 0.00 C ATOM 61 C GLY A 7 20.334 5.576 -2.636 1.00 0.00 C ATOM 62 O GLY A 7 19.243 5.242 -2.173 1.00 0.00 O ATOM 0 H GLY A 7 21.829 6.409 -5.420 1.00 0.00 H new ATOM 0 HA2 GLY A 7 20.893 7.391 -3.621 1.00 0.00 H new ATOM 0 HA3 GLY A 7 19.404 6.681 -4.215 1.00 0.00 H new ATOM 66 N TYR A 8 21.491 5.207 -2.100 1.00 0.00 N ATOM 67 CA TYR A 8 21.548 4.367 -0.909 1.00 0.00 C ATOM 68 C TYR A 8 20.680 4.942 0.205 1.00 0.00 C ATOM 69 O TYR A 8 19.740 4.297 0.671 1.00 0.00 O ATOM 70 CB TYR A 8 22.993 4.228 -0.426 1.00 0.00 C ATOM 71 CG TYR A 8 23.258 2.945 0.328 1.00 0.00 C ATOM 72 CD1 TYR A 8 22.869 1.717 -0.192 1.00 0.00 C ATOM 73 CD2 TYR A 8 23.898 2.960 1.561 1.00 0.00 C ATOM 74 CE1 TYR A 8 23.109 0.542 0.493 1.00 0.00 C ATOM 75 CE2 TYR A 8 24.144 1.790 2.253 1.00 0.00 C ATOM 76 CZ TYR A 8 23.747 0.584 1.715 1.00 0.00 C ATOM 77 OH TYR A 8 23.988 -0.584 2.402 1.00 0.00 O ATOM 0 H TYR A 8 22.402 5.476 -2.471 1.00 0.00 H new ATOM 0 HA TYR A 8 21.164 3.381 -1.172 1.00 0.00 H new ATOM 0 HB2 TYR A 8 23.661 4.279 -1.286 1.00 0.00 H new ATOM 0 HB3 TYR A 8 23.235 5.074 0.217 1.00 0.00 H new ATOM 0 HD1 TYR A 8 22.370 1.680 -1.149 1.00 0.00 H new ATOM 0 HD2 TYR A 8 24.209 3.903 1.986 1.00 0.00 H new ATOM 0 HE1 TYR A 8 22.799 -0.404 0.074 1.00 0.00 H new ATOM 0 HE2 TYR A 8 24.644 1.820 3.210 1.00 0.00 H new ATOM 0 HH TYR A 8 24.446 -0.380 3.244 1.00 0.00 H new ATOM 87 N ARG A 9 21.002 6.160 0.628 1.00 0.00 N ATOM 88 CA ARG A 9 20.252 6.823 1.689 1.00 0.00 C ATOM 89 C ARG A 9 18.763 6.509 1.580 1.00 0.00 C ATOM 90 O ARG A 9 18.114 6.183 2.573 1.00 0.00 O ATOM 91 CB ARG A 9 20.471 8.336 1.627 1.00 0.00 C ATOM 92 CG ARG A 9 20.000 8.968 0.327 1.00 0.00 C ATOM 93 CD ARG A 9 20.797 10.219 -0.005 1.00 0.00 C ATOM 94 NE ARG A 9 20.262 11.403 0.662 1.00 0.00 N ATOM 95 CZ ARG A 9 20.444 12.642 0.219 1.00 0.00 C ATOM 96 NH1 ARG A 9 21.145 12.858 -0.885 1.00 0.00 N ATOM 97 NH2 ARG A 9 19.925 13.668 0.882 1.00 0.00 N ATOM 0 H ARG A 9 21.776 6.708 0.253 1.00 0.00 H new ATOM 0 HA ARG A 9 20.615 6.448 2.646 1.00 0.00 H new ATOM 0 HB2 ARG A 9 19.947 8.805 2.460 1.00 0.00 H new ATOM 0 HB3 ARG A 9 21.532 8.547 1.760 1.00 0.00 H new ATOM 0 HG2 ARG A 9 20.097 8.247 -0.485 1.00 0.00 H new ATOM 0 HG3 ARG A 9 18.942 9.219 0.406 1.00 0.00 H new ATOM 0 HD2 ARG A 9 21.836 10.075 0.290 1.00 0.00 H new ATOM 0 HD3 ARG A 9 20.791 10.377 -1.083 1.00 0.00 H new ATOM 0 HE ARG A 9 19.719 11.271 1.515 1.00 0.00 H new ATOM 0 HH11 ARG A 9 21.546 12.072 -1.396 1.00 0.00 H new ATOM 0 HH12 ARG A 9 21.283 13.810 -1.223 1.00 0.00 H new ATOM 0 HH21 ARG A 9 19.386 13.505 1.732 1.00 0.00 H new ATOM 0 HH22 ARG A 9 20.065 14.619 0.541 1.00 0.00 H new ATOM 111 N ALA A 10 18.229 6.612 0.368 1.00 0.00 N ATOM 112 CA ALA A 10 16.817 6.337 0.130 1.00 0.00 C ATOM 113 C ALA A 10 16.533 4.840 0.181 1.00 0.00 C ATOM 114 O ALA A 10 15.572 4.401 0.814 1.00 0.00 O ATOM 115 CB ALA A 10 16.387 6.912 -1.212 1.00 0.00 C ATOM 0 H ALA A 10 18.752 6.884 -0.464 1.00 0.00 H new ATOM 0 HA ALA A 10 16.240 6.817 0.921 1.00 0.00 H new ATOM 0 HB1 ALA A 10 15.331 6.700 -1.377 1.00 0.00 H new ATOM 0 HB2 ALA A 10 16.545 7.991 -1.213 1.00 0.00 H new ATOM 0 HB3 ALA A 10 16.977 6.458 -2.008 1.00 0.00 H new ATOM 121 N THR A 11 17.374 4.059 -0.490 1.00 0.00 N ATOM 122 CA THR A 11 17.212 2.611 -0.522 1.00 0.00 C ATOM 123 C THR A 11 16.814 2.072 0.847 1.00 0.00 C ATOM 124 O THR A 11 15.765 1.446 0.999 1.00 0.00 O ATOM 125 CB THR A 11 18.504 1.911 -0.981 1.00 0.00 C ATOM 126 OG1 THR A 11 18.880 2.380 -2.281 1.00 0.00 O ATOM 127 CG2 THR A 11 18.320 0.401 -1.016 1.00 0.00 C ATOM 0 H THR A 11 18.174 4.405 -1.019 1.00 0.00 H new ATOM 0 HA THR A 11 16.418 2.398 -1.238 1.00 0.00 H new ATOM 0 HB THR A 11 19.292 2.148 -0.266 1.00 0.00 H new ATOM 0 HG1 THR A 11 19.081 3.338 -2.237 1.00 0.00 H new ATOM 0 HG21 THR A 11 19.246 -0.071 -1.343 1.00 0.00 H new ATOM 0 HG22 THR A 11 18.063 0.043 -0.019 1.00 0.00 H new ATOM 0 HG23 THR A 11 17.519 0.148 -1.711 1.00 0.00 H new ATOM 135 N LYS A 12 17.659 2.318 1.843 1.00 0.00 N ATOM 136 CA LYS A 12 17.396 1.859 3.202 1.00 0.00 C ATOM 137 C LYS A 12 15.946 2.125 3.595 1.00 0.00 C ATOM 138 O LYS A 12 15.285 1.270 4.185 1.00 0.00 O ATOM 139 CB LYS A 12 18.338 2.552 4.188 1.00 0.00 C ATOM 140 CG LYS A 12 18.468 1.828 5.517 1.00 0.00 C ATOM 141 CD LYS A 12 17.394 2.266 6.498 1.00 0.00 C ATOM 142 CE LYS A 12 17.759 1.894 7.927 1.00 0.00 C ATOM 143 NZ LYS A 12 18.675 2.893 8.543 1.00 0.00 N ATOM 0 H LYS A 12 18.533 2.833 1.734 1.00 0.00 H new ATOM 0 HA LYS A 12 17.572 0.784 3.236 1.00 0.00 H new ATOM 0 HB2 LYS A 12 19.325 2.640 3.734 1.00 0.00 H new ATOM 0 HB3 LYS A 12 17.979 3.565 4.369 1.00 0.00 H new ATOM 0 HG2 LYS A 12 18.397 0.752 5.355 1.00 0.00 H new ATOM 0 HG3 LYS A 12 19.452 2.022 5.943 1.00 0.00 H new ATOM 0 HD2 LYS A 12 17.252 3.344 6.427 1.00 0.00 H new ATOM 0 HD3 LYS A 12 16.445 1.802 6.231 1.00 0.00 H new ATOM 0 HE2 LYS A 12 16.851 1.816 8.525 1.00 0.00 H new ATOM 0 HE3 LYS A 12 18.233 0.912 7.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 18.900 2.604 9.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 19.552 2.949 7.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 18.214 3.825 8.557 1.00 0.00 H new ATOM 157 N LEU A 13 15.457 3.314 3.262 1.00 0.00 N ATOM 158 CA LEU A 13 14.084 3.693 3.579 1.00 0.00 C ATOM 159 C LEU A 13 13.095 2.947 2.689 1.00 0.00 C ATOM 160 O LEU A 13 12.279 2.162 3.173 1.00 0.00 O ATOM 161 CB LEU A 13 13.899 5.202 3.414 1.00 0.00 C ATOM 162 CG LEU A 13 12.464 5.719 3.527 1.00 0.00 C ATOM 163 CD1 LEU A 13 11.979 5.635 4.966 1.00 0.00 C ATOM 164 CD2 LEU A 13 12.370 7.148 3.013 1.00 0.00 C ATOM 0 H LEU A 13 15.990 4.033 2.773 1.00 0.00 H new ATOM 0 HA LEU A 13 13.888 3.421 4.616 1.00 0.00 H new ATOM 0 HB2 LEU A 13 14.506 5.707 4.166 1.00 0.00 H new ATOM 0 HB3 LEU A 13 14.293 5.492 2.440 1.00 0.00 H new ATOM 0 HG LEU A 13 11.821 5.090 2.911 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.956 6.007 5.028 1.00 0.00 H new ATOM 0 HD12 LEU A 13 12.009 4.598 5.300 1.00 0.00 H new ATOM 0 HD13 LEU A 13 12.624 6.240 5.603 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.342 7.499 3.101 1.00 0.00 H new ATOM 0 HD22 LEU A 13 13.025 7.790 3.602 1.00 0.00 H new ATOM 0 HD23 LEU A 13 12.676 7.179 1.967 1.00 0.00 H new ATOM 176 N TRP A 14 13.174 3.197 1.387 1.00 0.00 N ATOM 177 CA TRP A 14 12.286 2.547 0.429 1.00 0.00 C ATOM 178 C TRP A 14 12.117 1.068 0.760 1.00 0.00 C ATOM 179 O TRP A 14 11.031 0.510 0.608 1.00 0.00 O ATOM 180 CB TRP A 14 12.832 2.705 -0.991 1.00 0.00 C ATOM 181 CG TRP A 14 12.181 1.789 -1.982 1.00 0.00 C ATOM 182 CD1 TRP A 14 12.682 0.612 -2.463 1.00 0.00 C ATOM 183 CD2 TRP A 14 10.911 1.975 -2.616 1.00 0.00 C ATOM 184 NE1 TRP A 14 11.799 0.056 -3.357 1.00 0.00 N ATOM 185 CE2 TRP A 14 10.704 0.872 -3.468 1.00 0.00 C ATOM 186 CE3 TRP A 14 9.927 2.965 -2.546 1.00 0.00 C ATOM 187 CZ2 TRP A 14 9.555 0.734 -4.242 1.00 0.00 C ATOM 188 CZ3 TRP A 14 8.787 2.827 -3.315 1.00 0.00 C ATOM 189 CH2 TRP A 14 8.608 1.718 -4.153 1.00 0.00 C ATOM 0 H TRP A 14 13.843 3.844 0.970 1.00 0.00 H new ATOM 0 HA TRP A 14 11.310 3.028 0.492 1.00 0.00 H new ATOM 0 HB2 TRP A 14 12.692 3.737 -1.314 1.00 0.00 H new ATOM 0 HB3 TRP A 14 13.906 2.516 -0.983 1.00 0.00 H new ATOM 0 HD1 TRP A 14 13.632 0.182 -2.182 1.00 0.00 H new ATOM 0 HE1 TRP A 14 11.936 -0.822 -3.857 1.00 0.00 H new ATOM 0 HE3 TRP A 14 10.055 3.823 -1.902 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 9.416 -0.119 -4.890 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 8.021 3.587 -3.269 1.00 0.00 H new ATOM 0 HH2 TRP A 14 7.705 1.638 -4.740 1.00 0.00 H new ATOM 200 N ASN A 15 13.196 0.440 1.215 1.00 0.00 N ATOM 201 CA ASN A 15 13.166 -0.974 1.567 1.00 0.00 C ATOM 202 C ASN A 15 12.363 -1.200 2.845 1.00 0.00 C ATOM 203 O ASN A 15 11.691 -2.219 2.995 1.00 0.00 O ATOM 204 CB ASN A 15 14.589 -1.508 1.745 1.00 0.00 C ATOM 205 CG ASN A 15 14.658 -3.019 1.634 1.00 0.00 C ATOM 206 OD1 ASN A 15 13.802 -3.730 2.160 1.00 0.00 O ATOM 207 ND2 ASN A 15 15.681 -3.515 0.948 1.00 0.00 N ATOM 0 H ASN A 15 14.102 0.889 1.349 1.00 0.00 H new ATOM 0 HA ASN A 15 12.681 -1.514 0.754 1.00 0.00 H new ATOM 0 HB2 ASN A 15 15.239 -1.061 0.992 1.00 0.00 H new ATOM 0 HB3 ASN A 15 14.970 -1.200 2.719 1.00 0.00 H new ATOM 0 HD21 ASN A 15 15.781 -4.524 0.840 1.00 0.00 H new ATOM 0 HD22 ASN A 15 16.367 -2.887 0.529 1.00 0.00 H new ATOM 214 N GLU A 16 12.438 -0.240 3.761 1.00 0.00 N ATOM 215 CA GLU A 16 11.718 -0.334 5.026 1.00 0.00 C ATOM 216 C GLU A 16 10.216 -0.168 4.811 1.00 0.00 C ATOM 217 O GLU A 16 9.417 -0.982 5.273 1.00 0.00 O ATOM 218 CB GLU A 16 12.224 0.725 6.007 1.00 0.00 C ATOM 219 CG GLU A 16 13.409 0.267 6.840 1.00 0.00 C ATOM 220 CD GLU A 16 13.492 0.978 8.177 1.00 0.00 C ATOM 221 OE1 GLU A 16 12.513 0.905 8.949 1.00 0.00 O ATOM 222 OE2 GLU A 16 14.535 1.606 8.451 1.00 0.00 O ATOM 0 H GLU A 16 12.989 0.611 3.651 1.00 0.00 H new ATOM 0 HA GLU A 16 11.900 -1.323 5.445 1.00 0.00 H new ATOM 0 HB2 GLU A 16 12.506 1.619 5.450 1.00 0.00 H new ATOM 0 HB3 GLU A 16 11.410 1.009 6.674 1.00 0.00 H new ATOM 0 HG2 GLU A 16 13.337 -0.808 7.008 1.00 0.00 H new ATOM 0 HG3 GLU A 16 14.329 0.441 6.282 1.00 0.00 H new ATOM 229 N VAL A 17 9.839 0.895 4.106 1.00 0.00 N ATOM 230 CA VAL A 17 8.435 1.169 3.828 1.00 0.00 C ATOM 231 C VAL A 17 7.803 0.040 3.021 1.00 0.00 C ATOM 232 O VAL A 17 6.680 -0.383 3.297 1.00 0.00 O ATOM 233 CB VAL A 17 8.262 2.493 3.060 1.00 0.00 C ATOM 234 CG1 VAL A 17 9.104 2.488 1.792 1.00 0.00 C ATOM 235 CG2 VAL A 17 6.796 2.733 2.735 1.00 0.00 C ATOM 0 H VAL A 17 10.487 1.580 3.717 1.00 0.00 H new ATOM 0 HA VAL A 17 7.932 1.248 4.792 1.00 0.00 H new ATOM 0 HB VAL A 17 8.608 3.309 3.695 1.00 0.00 H new ATOM 0 HG11 VAL A 17 8.969 3.431 1.262 1.00 0.00 H new ATOM 0 HG12 VAL A 17 10.155 2.366 2.054 1.00 0.00 H new ATOM 0 HG13 VAL A 17 8.791 1.664 1.151 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.693 3.673 2.192 1.00 0.00 H new ATOM 0 HG22 VAL A 17 6.421 1.915 2.119 1.00 0.00 H new ATOM 0 HG23 VAL A 17 6.222 2.783 3.660 1.00 0.00 H new ATOM 245 N THR A 18 8.533 -0.446 2.022 1.00 0.00 N ATOM 246 CA THR A 18 8.045 -1.526 1.174 1.00 0.00 C ATOM 247 C THR A 18 7.801 -2.794 1.985 1.00 0.00 C ATOM 248 O THR A 18 6.749 -3.425 1.871 1.00 0.00 O ATOM 249 CB THR A 18 9.036 -1.840 0.038 1.00 0.00 C ATOM 250 OG1 THR A 18 10.369 -1.906 0.555 1.00 0.00 O ATOM 251 CG2 THR A 18 8.961 -0.782 -1.053 1.00 0.00 C ATOM 0 H THR A 18 9.465 -0.108 1.780 1.00 0.00 H new ATOM 0 HA THR A 18 7.104 -1.187 0.741 1.00 0.00 H new ATOM 0 HB THR A 18 8.767 -2.804 -0.394 1.00 0.00 H new ATOM 0 HG1 THR A 18 10.853 -1.088 0.316 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.670 -1.025 -1.845 1.00 0.00 H new ATOM 0 HG22 THR A 18 7.952 -0.755 -1.465 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.207 0.193 -0.632 1.00 0.00 H new ATOM 259 N THR A 19 8.779 -3.164 2.805 1.00 0.00 N ATOM 260 CA THR A 19 8.671 -4.358 3.635 1.00 0.00 C ATOM 261 C THR A 19 7.443 -4.292 4.535 1.00 0.00 C ATOM 262 O THR A 19 6.743 -5.287 4.720 1.00 0.00 O ATOM 263 CB THR A 19 9.925 -4.550 4.509 1.00 0.00 C ATOM 264 OG1 THR A 19 11.081 -4.708 3.678 1.00 0.00 O ATOM 265 CG2 THR A 19 9.774 -5.764 5.412 1.00 0.00 C ATOM 0 H THR A 19 9.656 -2.654 2.913 1.00 0.00 H new ATOM 0 HA THR A 19 8.576 -5.207 2.958 1.00 0.00 H new ATOM 0 HB THR A 19 10.045 -3.665 5.134 1.00 0.00 H new ATOM 0 HG1 THR A 19 11.243 -3.879 3.182 1.00 0.00 H new ATOM 0 HG21 THR A 19 10.672 -5.879 6.020 1.00 0.00 H new ATOM 0 HG22 THR A 19 8.910 -5.628 6.063 1.00 0.00 H new ATOM 0 HG23 THR A 19 9.632 -6.656 4.802 1.00 0.00 H new ATOM 273 N SER A 20 7.187 -3.113 5.094 1.00 0.00 N ATOM 274 CA SER A 20 6.045 -2.918 5.979 1.00 0.00 C ATOM 275 C SER A 20 4.736 -2.981 5.197 1.00 0.00 C ATOM 276 O SER A 20 3.863 -3.799 5.490 1.00 0.00 O ATOM 277 CB SER A 20 6.156 -1.575 6.702 1.00 0.00 C ATOM 278 OG SER A 20 7.118 -1.633 7.741 1.00 0.00 O ATOM 0 H SER A 20 7.755 -2.279 4.949 1.00 0.00 H new ATOM 0 HA SER A 20 6.047 -3.720 6.717 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.432 -0.797 5.990 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.186 -1.300 7.115 1.00 0.00 H new ATOM 0 HG SER A 20 7.171 -0.762 8.187 1.00 0.00 H new ATOM 284 N PHE A 21 4.607 -2.111 4.201 1.00 0.00 N ATOM 285 CA PHE A 21 3.404 -2.065 3.377 1.00 0.00 C ATOM 286 C PHE A 21 3.088 -3.442 2.800 1.00 0.00 C ATOM 287 O PHE A 21 1.960 -3.924 2.901 1.00 0.00 O ATOM 288 CB PHE A 21 3.575 -1.052 2.244 1.00 0.00 C ATOM 289 CG PHE A 21 2.420 -1.023 1.285 1.00 0.00 C ATOM 290 CD1 PHE A 21 2.319 -1.963 0.272 1.00 0.00 C ATOM 291 CD2 PHE A 21 1.433 -0.056 1.397 1.00 0.00 C ATOM 292 CE1 PHE A 21 1.257 -1.941 -0.612 1.00 0.00 C ATOM 293 CE2 PHE A 21 0.368 -0.029 0.516 1.00 0.00 C ATOM 294 CZ PHE A 21 0.280 -0.971 -0.490 1.00 0.00 C ATOM 0 H PHE A 21 5.320 -1.428 3.945 1.00 0.00 H new ATOM 0 HA PHE A 21 2.572 -1.755 4.009 1.00 0.00 H new ATOM 0 HB2 PHE A 21 3.706 -0.058 2.673 1.00 0.00 H new ATOM 0 HB3 PHE A 21 4.487 -1.284 1.694 1.00 0.00 H new ATOM 0 HD1 PHE A 21 3.080 -2.723 0.172 1.00 0.00 H new ATOM 0 HD2 PHE A 21 1.497 0.684 2.181 1.00 0.00 H new ATOM 0 HE1 PHE A 21 1.191 -2.680 -1.397 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -0.395 0.729 0.614 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.551 -0.950 -1.180 1.00 0.00 H new ATOM 304 N ARG A 22 4.092 -4.068 2.195 1.00 0.00 N ATOM 305 CA ARG A 22 3.921 -5.388 1.600 1.00 0.00 C ATOM 306 C ARG A 22 3.122 -6.302 2.524 1.00 0.00 C ATOM 307 O ARG A 22 2.075 -6.824 2.143 1.00 0.00 O ATOM 308 CB ARG A 22 5.284 -6.015 1.300 1.00 0.00 C ATOM 309 CG ARG A 22 5.219 -7.165 0.308 1.00 0.00 C ATOM 310 CD ARG A 22 4.690 -8.434 0.959 1.00 0.00 C ATOM 311 NE ARG A 22 4.816 -9.593 0.080 1.00 0.00 N ATOM 312 CZ ARG A 22 4.587 -10.841 0.473 1.00 0.00 C ATOM 313 NH1 ARG A 22 4.223 -11.090 1.723 1.00 0.00 N ATOM 314 NH2 ARG A 22 4.722 -11.844 -0.386 1.00 0.00 N ATOM 0 H ARG A 22 5.032 -3.683 2.104 1.00 0.00 H new ATOM 0 HA ARG A 22 3.369 -5.270 0.668 1.00 0.00 H new ATOM 0 HB2 ARG A 22 5.950 -5.246 0.909 1.00 0.00 H new ATOM 0 HB3 ARG A 22 5.723 -6.374 2.231 1.00 0.00 H new ATOM 0 HG2 ARG A 22 4.577 -6.889 -0.529 1.00 0.00 H new ATOM 0 HG3 ARG A 22 6.212 -7.351 -0.100 1.00 0.00 H new ATOM 0 HD2 ARG A 22 5.234 -8.620 1.885 1.00 0.00 H new ATOM 0 HD3 ARG A 22 3.643 -8.294 1.227 1.00 0.00 H new ATOM 0 HE ARG A 22 5.095 -9.436 -0.888 1.00 0.00 H new ATOM 0 HH11 ARG A 22 4.118 -10.322 2.386 1.00 0.00 H new ATOM 0 HH12 ARG A 22 4.048 -12.049 2.022 1.00 0.00 H new ATOM 0 HH21 ARG A 22 5.002 -11.657 -1.349 1.00 0.00 H new ATOM 0 HH22 ARG A 22 4.546 -12.802 -0.083 1.00 0.00 H new ATOM 328 N ALA A 23 3.623 -6.490 3.741 1.00 0.00 N ATOM 329 CA ALA A 23 2.954 -7.338 4.720 1.00 0.00 C ATOM 330 C ALA A 23 1.638 -6.719 5.175 1.00 0.00 C ATOM 331 O ALA A 23 0.565 -7.277 4.945 1.00 0.00 O ATOM 332 CB ALA A 23 3.865 -7.585 5.913 1.00 0.00 C ATOM 0 H ALA A 23 4.490 -6.066 4.072 1.00 0.00 H new ATOM 0 HA ALA A 23 2.729 -8.293 4.244 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.353 -8.220 6.636 1.00 0.00 H new ATOM 0 HB2 ALA A 23 4.777 -8.079 5.578 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.118 -6.633 6.380 1.00 0.00 H new ATOM 338 N GLY A 24 1.726 -5.562 5.824 1.00 0.00 N ATOM 339 CA GLY A 24 0.534 -4.886 6.303 1.00 0.00 C ATOM 340 C GLY A 24 -0.542 -5.856 6.747 1.00 0.00 C ATOM 341 O GLY A 24 -0.284 -6.758 7.543 1.00 0.00 O ATOM 0 H GLY A 24 2.602 -5.080 6.027 1.00 0.00 H new ATOM 0 HA2 GLY A 24 0.799 -4.235 7.136 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.140 -4.247 5.513 1.00 0.00 H new ATOM 345 N MET A 25 -1.754 -5.669 6.233 1.00 0.00 N ATOM 346 CA MET A 25 -2.874 -6.535 6.583 1.00 0.00 C ATOM 347 C MET A 25 -3.124 -7.568 5.489 1.00 0.00 C ATOM 348 O MET A 25 -2.822 -7.351 4.315 1.00 0.00 O ATOM 349 CB MET A 25 -4.137 -5.703 6.813 1.00 0.00 C ATOM 350 CG MET A 25 -4.227 -5.110 8.210 1.00 0.00 C ATOM 351 SD MET A 25 -4.169 -6.366 9.503 1.00 0.00 S ATOM 352 CE MET A 25 -5.652 -5.969 10.427 1.00 0.00 C ATOM 0 H MET A 25 -1.985 -4.926 5.573 1.00 0.00 H new ATOM 0 HA MET A 25 -2.621 -7.060 7.504 1.00 0.00 H new ATOM 0 HB2 MET A 25 -4.169 -4.896 6.081 1.00 0.00 H new ATOM 0 HB3 MET A 25 -5.012 -6.329 6.635 1.00 0.00 H new ATOM 0 HG2 MET A 25 -3.407 -4.406 8.355 1.00 0.00 H new ATOM 0 HG3 MET A 25 -5.154 -4.543 8.301 1.00 0.00 H new ATOM 0 HE1 MET A 25 -5.756 -6.661 11.263 1.00 0.00 H new ATOM 0 HE2 MET A 25 -5.582 -4.949 10.806 1.00 0.00 H new ATOM 0 HE3 MET A 25 -6.521 -6.055 9.775 1.00 0.00 H new ATOM 362 N PRO A 26 -3.689 -8.721 5.880 1.00 0.00 N ATOM 363 CA PRO A 26 -3.992 -9.810 4.947 1.00 0.00 C ATOM 364 C PRO A 26 -5.133 -9.459 3.997 1.00 0.00 C ATOM 365 O PRO A 26 -5.009 -9.605 2.781 1.00 0.00 O ATOM 366 CB PRO A 26 -4.399 -10.963 5.868 1.00 0.00 C ATOM 367 CG PRO A 26 -4.892 -10.301 7.108 1.00 0.00 C ATOM 368 CD PRO A 26 -4.075 -9.048 7.262 1.00 0.00 C ATOM 0 HA PRO A 26 -3.145 -10.041 4.301 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -5.175 -11.579 5.413 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -3.554 -11.619 6.078 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -5.954 -10.067 7.030 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -4.772 -10.954 7.973 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -4.653 -8.245 7.718 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -3.203 -9.212 7.895 1.00 0.00 H new ATOM 376 N LEU A 27 -6.243 -8.996 4.560 1.00 0.00 N ATOM 377 CA LEU A 27 -7.407 -8.624 3.763 1.00 0.00 C ATOM 378 C LEU A 27 -8.422 -7.858 4.606 1.00 0.00 C ATOM 379 O LEU A 27 -8.368 -7.883 5.835 1.00 0.00 O ATOM 380 CB LEU A 27 -8.061 -9.871 3.165 1.00 0.00 C ATOM 381 CG LEU A 27 -8.823 -9.667 1.856 1.00 0.00 C ATOM 382 CD1 LEU A 27 -7.883 -9.191 0.759 1.00 0.00 C ATOM 383 CD2 LEU A 27 -9.522 -10.953 1.439 1.00 0.00 C ATOM 0 H LEU A 27 -6.362 -8.869 5.565 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.070 -7.975 2.954 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -7.286 -10.619 2.998 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -8.749 -10.285 3.902 1.00 0.00 H new ATOM 0 HG LEU A 27 -9.581 -8.900 2.016 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -8.444 -9.051 -0.165 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.429 -8.245 1.054 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.102 -9.935 0.601 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -10.059 -10.789 0.505 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.782 -11.740 1.298 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -10.226 -11.252 2.215 1.00 0.00 H new ATOM 395 N ARG A 28 -9.348 -7.179 3.936 1.00 0.00 N ATOM 396 CA ARG A 28 -10.376 -6.407 4.623 1.00 0.00 C ATOM 397 C ARG A 28 -11.756 -6.702 4.043 1.00 0.00 C ATOM 398 O ARG A 28 -11.894 -6.985 2.853 1.00 0.00 O ATOM 399 CB ARG A 28 -10.076 -4.911 4.518 1.00 0.00 C ATOM 400 CG ARG A 28 -10.917 -4.054 5.449 1.00 0.00 C ATOM 401 CD ARG A 28 -10.732 -2.572 5.162 1.00 0.00 C ATOM 402 NE ARG A 28 -9.464 -2.068 5.682 1.00 0.00 N ATOM 403 CZ ARG A 28 -9.292 -1.665 6.936 1.00 0.00 C ATOM 404 NH1 ARG A 28 -10.302 -1.706 7.794 1.00 0.00 N ATOM 405 NH2 ARG A 28 -8.107 -1.219 7.334 1.00 0.00 N ATOM 0 H ARG A 28 -9.407 -7.148 2.918 1.00 0.00 H new ATOM 0 HA ARG A 28 -10.372 -6.698 5.673 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -9.022 -4.744 4.738 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -10.242 -4.587 3.491 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -11.969 -4.319 5.338 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -10.643 -4.262 6.483 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -10.775 -2.403 4.086 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -11.554 -2.011 5.606 1.00 0.00 H new ATOM 0 HE ARG A 28 -8.667 -2.023 5.048 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -11.214 -2.048 7.492 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -10.167 -1.396 8.756 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -7.328 -1.186 6.677 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -7.976 -0.910 8.297 1.00 0.00 H new ATOM 419 N LYS A 29 -12.776 -6.634 4.892 1.00 0.00 N ATOM 420 CA LYS A 29 -14.146 -6.893 4.466 1.00 0.00 C ATOM 421 C LYS A 29 -14.617 -5.833 3.475 1.00 0.00 C ATOM 422 O LYS A 29 -14.537 -4.634 3.748 1.00 0.00 O ATOM 423 CB LYS A 29 -15.081 -6.926 5.676 1.00 0.00 C ATOM 424 CG LYS A 29 -14.853 -8.118 6.589 1.00 0.00 C ATOM 425 CD LYS A 29 -15.875 -8.164 7.713 1.00 0.00 C ATOM 426 CE LYS A 29 -15.431 -7.329 8.904 1.00 0.00 C ATOM 427 NZ LYS A 29 -16.461 -7.306 9.980 1.00 0.00 N ATOM 0 H LYS A 29 -12.679 -6.401 5.880 1.00 0.00 H new ATOM 0 HA LYS A 29 -14.168 -7.864 3.971 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -14.950 -6.009 6.250 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -16.113 -6.939 5.327 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -14.909 -9.038 6.008 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -13.849 -8.068 7.011 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -16.835 -7.798 7.349 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -16.026 -9.197 8.027 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -14.499 -7.731 9.302 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -15.225 -6.310 8.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -16.121 -6.727 10.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -17.343 -6.899 9.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -16.639 -8.276 10.311 1.00 0.00 H new ATOM 441 N HIS A 30 -15.109 -6.281 2.325 1.00 0.00 N ATOM 442 CA HIS A 30 -15.594 -5.370 1.294 1.00 0.00 C ATOM 443 C HIS A 30 -17.096 -5.540 1.082 1.00 0.00 C ATOM 444 O HIS A 30 -17.689 -6.519 1.537 1.00 0.00 O ATOM 445 CB HIS A 30 -14.852 -5.611 -0.020 1.00 0.00 C ATOM 446 CG HIS A 30 -13.453 -5.076 -0.025 1.00 0.00 C ATOM 447 ND1 HIS A 30 -12.597 -5.198 1.049 1.00 0.00 N ATOM 448 CD2 HIS A 30 -12.761 -4.415 -0.982 1.00 0.00 C ATOM 449 CE1 HIS A 30 -11.440 -4.634 0.754 1.00 0.00 C ATOM 450 NE2 HIS A 30 -11.513 -4.151 -0.473 1.00 0.00 N ATOM 0 H HIS A 30 -15.183 -7.269 2.083 1.00 0.00 H new ATOM 0 HA HIS A 30 -15.404 -4.350 1.627 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -14.823 -6.682 -0.220 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -15.412 -5.149 -0.834 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -12.822 -5.653 1.934 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -13.123 -4.145 -1.963 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -10.580 -4.577 1.405 1.00 0.00 H new ATOM 458 N ARG A 31 -17.703 -4.582 0.391 1.00 0.00 N ATOM 459 CA ARG A 31 -19.136 -4.625 0.121 1.00 0.00 C ATOM 460 C ARG A 31 -19.527 -5.949 -0.528 1.00 0.00 C ATOM 461 O ARG A 31 -20.350 -6.692 0.004 1.00 0.00 O ATOM 462 CB ARG A 31 -19.541 -3.461 -0.784 1.00 0.00 C ATOM 463 CG ARG A 31 -21.036 -3.186 -0.791 1.00 0.00 C ATOM 464 CD ARG A 31 -21.351 -1.833 -1.409 1.00 0.00 C ATOM 465 NE ARG A 31 -20.910 -0.728 -0.561 1.00 0.00 N ATOM 466 CZ ARG A 31 -20.632 0.487 -1.022 1.00 0.00 C ATOM 467 NH1 ARG A 31 -20.750 0.751 -2.316 1.00 0.00 N ATOM 468 NH2 ARG A 31 -20.237 1.440 -0.188 1.00 0.00 N ATOM 0 H ARG A 31 -17.226 -3.766 0.007 1.00 0.00 H new ATOM 0 HA ARG A 31 -19.663 -4.537 1.071 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -19.016 -2.562 -0.462 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -19.214 -3.673 -1.802 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -21.549 -3.970 -1.348 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -21.418 -3.219 0.229 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -20.867 -1.758 -2.383 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -22.425 -1.753 -1.579 1.00 0.00 H new ATOM 0 HE ARG A 31 -20.810 -0.898 0.440 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -21.055 0.021 -2.960 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -20.536 1.684 -2.668 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -20.146 1.241 0.808 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -20.024 2.372 -0.543 1.00 0.00 H new ATOM 482 N GLN A 32 -18.931 -6.235 -1.681 1.00 0.00 N ATOM 483 CA GLN A 32 -19.218 -7.469 -2.404 1.00 0.00 C ATOM 484 C GLN A 32 -18.400 -8.629 -1.847 1.00 0.00 C ATOM 485 O GLN A 32 -17.406 -8.423 -1.149 1.00 0.00 O ATOM 486 CB GLN A 32 -18.926 -7.291 -3.895 1.00 0.00 C ATOM 487 CG GLN A 32 -19.831 -8.118 -4.795 1.00 0.00 C ATOM 488 CD GLN A 32 -21.236 -7.556 -4.883 1.00 0.00 C ATOM 489 OE1 GLN A 32 -21.437 -6.417 -5.307 1.00 0.00 O ATOM 490 NE2 GLN A 32 -22.219 -8.354 -4.483 1.00 0.00 N ATOM 0 H GLN A 32 -18.247 -5.630 -2.135 1.00 0.00 H new ATOM 0 HA GLN A 32 -20.275 -7.700 -2.274 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -19.033 -6.238 -4.155 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -17.888 -7.563 -4.089 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -19.399 -8.164 -5.795 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -19.875 -9.140 -4.419 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -22.007 -9.291 -4.139 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -23.186 -8.030 -4.520 1.00 0.00 H new ATOM 499 N HIS A 33 -18.823 -9.849 -2.161 1.00 0.00 N ATOM 500 CA HIS A 33 -18.128 -11.043 -1.693 1.00 0.00 C ATOM 501 C HIS A 33 -16.713 -11.107 -2.261 1.00 0.00 C ATOM 502 O HIS A 33 -16.521 -11.107 -3.477 1.00 0.00 O ATOM 503 CB HIS A 33 -18.905 -12.299 -2.087 1.00 0.00 C ATOM 504 CG HIS A 33 -19.935 -12.707 -1.079 1.00 0.00 C ATOM 505 ND1 HIS A 33 -19.625 -13.382 0.083 1.00 0.00 N ATOM 506 CD2 HIS A 33 -21.277 -12.531 -1.063 1.00 0.00 C ATOM 507 CE1 HIS A 33 -20.732 -13.605 0.769 1.00 0.00 C ATOM 508 NE2 HIS A 33 -21.749 -13.098 0.095 1.00 0.00 N ATOM 0 H HIS A 33 -19.643 -10.037 -2.737 1.00 0.00 H new ATOM 0 HA HIS A 33 -18.062 -10.991 -0.606 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -19.395 -12.128 -3.046 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -18.203 -13.121 -2.230 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -21.867 -12.036 -1.820 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -20.795 -14.115 1.719 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -22.726 -13.124 0.387 1.00 0.00 H new ATOM 516 N PHE A 34 -15.726 -11.160 -1.372 1.00 0.00 N ATOM 517 CA PHE A 34 -14.329 -11.222 -1.785 1.00 0.00 C ATOM 518 C PHE A 34 -14.174 -12.046 -3.060 1.00 0.00 C ATOM 519 O PHE A 34 -13.603 -11.583 -4.048 1.00 0.00 O ATOM 520 CB PHE A 34 -13.471 -11.822 -0.669 1.00 0.00 C ATOM 521 CG PHE A 34 -13.818 -11.304 0.697 1.00 0.00 C ATOM 522 CD1 PHE A 34 -14.855 -11.868 1.424 1.00 0.00 C ATOM 523 CD2 PHE A 34 -13.107 -10.255 1.256 1.00 0.00 C ATOM 524 CE1 PHE A 34 -15.176 -11.393 2.681 1.00 0.00 C ATOM 525 CE2 PHE A 34 -13.424 -9.776 2.513 1.00 0.00 C ATOM 526 CZ PHE A 34 -14.459 -10.347 3.227 1.00 0.00 C ATOM 0 H PHE A 34 -15.868 -11.161 -0.362 1.00 0.00 H new ATOM 0 HA PHE A 34 -13.991 -10.206 -1.987 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -13.584 -12.906 -0.677 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -12.422 -11.609 -0.874 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -15.418 -12.688 1.003 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -12.295 -9.806 0.703 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -15.987 -11.840 3.236 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -12.863 -8.956 2.936 1.00 0.00 H new ATOM 0 HZ PHE A 34 -14.707 -9.976 4.211 1.00 0.00 H new ATOM 536 N LYS A 35 -14.688 -13.271 -3.031 1.00 0.00 N ATOM 537 CA LYS A 35 -14.609 -14.162 -4.183 1.00 0.00 C ATOM 538 C LYS A 35 -14.693 -13.374 -5.486 1.00 0.00 C ATOM 539 O LYS A 35 -13.799 -13.451 -6.329 1.00 0.00 O ATOM 540 CB LYS A 35 -15.732 -15.200 -4.128 1.00 0.00 C ATOM 541 CG LYS A 35 -15.481 -16.414 -5.006 1.00 0.00 C ATOM 542 CD LYS A 35 -14.666 -17.470 -4.278 1.00 0.00 C ATOM 543 CE LYS A 35 -14.565 -18.753 -5.088 1.00 0.00 C ATOM 544 NZ LYS A 35 -13.641 -19.736 -4.458 1.00 0.00 N ATOM 0 H LYS A 35 -15.164 -13.670 -2.222 1.00 0.00 H new ATOM 0 HA LYS A 35 -13.647 -14.674 -4.150 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -15.862 -15.528 -3.097 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -16.666 -14.729 -4.432 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -16.434 -16.841 -5.319 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -14.956 -16.108 -5.911 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -13.666 -17.085 -4.078 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -15.125 -17.683 -3.312 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -15.555 -19.198 -5.188 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -14.217 -18.521 -6.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -13.600 -20.597 -5.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -12.690 -19.321 -4.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -13.987 -19.978 -3.507 1.00 0.00 H new ATOM 558 N LYS A 36 -15.773 -12.616 -5.645 1.00 0.00 N ATOM 559 CA LYS A 36 -15.973 -11.811 -6.845 1.00 0.00 C ATOM 560 C LYS A 36 -14.656 -11.209 -7.322 1.00 0.00 C ATOM 561 O LYS A 36 -14.244 -11.416 -8.464 1.00 0.00 O ATOM 562 CB LYS A 36 -16.987 -10.698 -6.573 1.00 0.00 C ATOM 563 CG LYS A 36 -18.424 -11.102 -6.856 1.00 0.00 C ATOM 564 CD LYS A 36 -19.068 -11.754 -5.644 1.00 0.00 C ATOM 565 CE LYS A 36 -20.209 -12.675 -6.047 1.00 0.00 C ATOM 566 NZ LYS A 36 -21.375 -11.915 -6.577 1.00 0.00 N ATOM 0 H LYS A 36 -16.523 -12.542 -4.958 1.00 0.00 H new ATOM 0 HA LYS A 36 -16.359 -12.462 -7.630 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -16.904 -10.389 -5.531 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -16.735 -9.831 -7.184 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -19.000 -10.223 -7.147 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -18.450 -11.793 -7.699 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -18.318 -12.322 -5.093 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -19.442 -10.983 -4.970 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -19.859 -13.377 -6.804 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -20.521 -13.265 -5.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -22.131 -12.579 -6.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -21.725 -11.263 -5.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -21.084 -11.372 -7.415 1.00 0.00 H new ATOM 580 N TYR A 37 -13.998 -10.463 -6.441 1.00 0.00 N ATOM 581 CA TYR A 37 -12.728 -9.829 -6.773 1.00 0.00 C ATOM 582 C TYR A 37 -11.593 -10.849 -6.768 1.00 0.00 C ATOM 583 O TYR A 37 -10.977 -11.116 -7.799 1.00 0.00 O ATOM 584 CB TYR A 37 -12.421 -8.703 -5.784 1.00 0.00 C ATOM 585 CG TYR A 37 -13.628 -7.862 -5.432 1.00 0.00 C ATOM 586 CD1 TYR A 37 -14.422 -7.301 -6.425 1.00 0.00 C ATOM 587 CD2 TYR A 37 -13.973 -7.628 -4.107 1.00 0.00 C ATOM 588 CE1 TYR A 37 -15.524 -6.532 -6.108 1.00 0.00 C ATOM 589 CE2 TYR A 37 -15.074 -6.860 -3.781 1.00 0.00 C ATOM 590 CZ TYR A 37 -15.847 -6.314 -4.785 1.00 0.00 C ATOM 591 OH TYR A 37 -16.944 -5.549 -4.464 1.00 0.00 O ATOM 0 H TYR A 37 -14.324 -10.283 -5.491 1.00 0.00 H new ATOM 0 HA TYR A 37 -12.812 -9.409 -7.776 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -12.010 -9.134 -4.871 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -11.650 -8.059 -6.207 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -14.173 -7.469 -7.462 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -13.370 -8.054 -3.318 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -16.130 -6.103 -6.892 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -15.328 -6.688 -2.746 1.00 0.00 H new ATOM 0 HH TYR A 37 -17.379 -5.239 -5.286 1.00 0.00 H new ATOM 601 N GLY A 38 -11.321 -11.417 -5.596 1.00 0.00 N ATOM 602 CA GLY A 38 -10.261 -12.401 -5.476 1.00 0.00 C ATOM 603 C GLY A 38 -9.137 -11.935 -4.573 1.00 0.00 C ATOM 604 O GLY A 38 -7.981 -11.875 -4.990 1.00 0.00 O ATOM 0 H GLY A 38 -11.816 -11.213 -4.728 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.675 -13.331 -5.085 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.860 -12.621 -6.465 1.00 0.00 H new ATOM 608 N ASN A 39 -9.477 -11.602 -3.332 1.00 0.00 N ATOM 609 CA ASN A 39 -8.487 -11.137 -2.367 1.00 0.00 C ATOM 610 C ASN A 39 -7.901 -9.794 -2.794 1.00 0.00 C ATOM 611 O ASN A 39 -6.692 -9.575 -2.700 1.00 0.00 O ATOM 612 CB ASN A 39 -7.368 -12.169 -2.215 1.00 0.00 C ATOM 613 CG ASN A 39 -6.615 -12.017 -0.907 1.00 0.00 C ATOM 614 OD1 ASN A 39 -7.036 -12.533 0.128 1.00 0.00 O ATOM 615 ND2 ASN A 39 -5.494 -11.306 -0.950 1.00 0.00 N ATOM 0 H ASN A 39 -10.430 -11.645 -2.971 1.00 0.00 H new ATOM 0 HA ASN A 39 -8.985 -11.008 -1.406 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -7.792 -13.172 -2.273 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -6.670 -12.070 -3.046 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -4.944 -11.169 -0.102 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -5.183 -10.897 -1.831 1.00 0.00 H new ATOM 622 N CYS A 40 -8.764 -8.900 -3.261 1.00 0.00 N ATOM 623 CA CYS A 40 -8.333 -7.578 -3.702 1.00 0.00 C ATOM 624 C CYS A 40 -8.829 -6.497 -2.748 1.00 0.00 C ATOM 625 O CYS A 40 -9.961 -6.552 -2.265 1.00 0.00 O ATOM 626 CB CYS A 40 -8.841 -7.299 -5.117 1.00 0.00 C ATOM 627 SG CYS A 40 -8.277 -8.492 -6.353 1.00 0.00 S ATOM 0 H CYS A 40 -9.767 -9.066 -3.344 1.00 0.00 H new ATOM 0 HA CYS A 40 -7.243 -7.561 -3.705 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -9.931 -7.292 -5.105 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -8.519 -6.302 -5.417 1.00 0.00 H new ATOM 0 HG CYS A 40 -8.190 -9.670 -5.811 1.00 0.00 H new ATOM 633 N PHE A 41 -7.975 -5.516 -2.478 1.00 0.00 N ATOM 634 CA PHE A 41 -8.326 -4.423 -1.578 1.00 0.00 C ATOM 635 C PHE A 41 -8.470 -3.112 -2.346 1.00 0.00 C ATOM 636 O PHE A 41 -7.722 -2.843 -3.286 1.00 0.00 O ATOM 637 CB PHE A 41 -7.265 -4.273 -0.485 1.00 0.00 C ATOM 638 CG PHE A 41 -5.859 -4.420 -0.991 1.00 0.00 C ATOM 639 CD1 PHE A 41 -5.276 -3.423 -1.757 1.00 0.00 C ATOM 640 CD2 PHE A 41 -5.119 -5.555 -0.701 1.00 0.00 C ATOM 641 CE1 PHE A 41 -3.982 -3.555 -2.224 1.00 0.00 C ATOM 642 CE2 PHE A 41 -3.825 -5.693 -1.164 1.00 0.00 C ATOM 643 CZ PHE A 41 -3.255 -4.692 -1.928 1.00 0.00 C ATOM 0 H PHE A 41 -7.035 -5.455 -2.869 1.00 0.00 H new ATOM 0 HA PHE A 41 -9.284 -4.660 -1.115 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -7.374 -3.295 -0.016 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -7.444 -5.019 0.289 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -5.840 -2.532 -1.992 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -5.559 -6.341 -0.106 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -3.540 -2.770 -2.820 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -3.259 -6.582 -0.929 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.244 -4.798 -2.293 1.00 0.00 H new ATOM 653 N THR A 42 -9.439 -2.298 -1.938 1.00 0.00 N ATOM 654 CA THR A 42 -9.684 -1.016 -2.587 1.00 0.00 C ATOM 655 C THR A 42 -8.547 -0.038 -2.318 1.00 0.00 C ATOM 656 O THR A 42 -8.024 0.031 -1.206 1.00 0.00 O ATOM 657 CB THR A 42 -11.009 -0.390 -2.111 1.00 0.00 C ATOM 658 OG1 THR A 42 -11.056 -0.372 -0.680 1.00 0.00 O ATOM 659 CG2 THR A 42 -12.200 -1.166 -2.653 1.00 0.00 C ATOM 0 H THR A 42 -10.067 -2.504 -1.161 1.00 0.00 H new ATOM 0 HA THR A 42 -9.747 -1.210 -3.658 1.00 0.00 H new ATOM 0 HB THR A 42 -11.059 0.631 -2.489 1.00 0.00 H new ATOM 0 HG1 THR A 42 -11.900 0.029 -0.385 1.00 0.00 H new ATOM 0 HG21 THR A 42 -13.124 -0.705 -2.304 1.00 0.00 H new ATOM 0 HG22 THR A 42 -12.177 -1.153 -3.743 1.00 0.00 H new ATOM 0 HG23 THR A 42 -12.153 -2.197 -2.302 1.00 0.00 H new ATOM 667 N ALA A 43 -8.169 0.719 -3.343 1.00 0.00 N ATOM 668 CA ALA A 43 -7.095 1.697 -3.216 1.00 0.00 C ATOM 669 C ALA A 43 -7.326 2.613 -2.019 1.00 0.00 C ATOM 670 O ALA A 43 -6.412 2.871 -1.237 1.00 0.00 O ATOM 671 CB ALA A 43 -6.972 2.514 -4.493 1.00 0.00 C ATOM 0 H ALA A 43 -8.591 0.674 -4.271 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.162 1.157 -3.052 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.166 3.240 -4.384 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.752 1.851 -5.330 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -7.909 3.037 -4.682 1.00 0.00 H new ATOM 677 N GLY A 44 -8.554 3.103 -1.882 1.00 0.00 N ATOM 678 CA GLY A 44 -8.882 3.986 -0.778 1.00 0.00 C ATOM 679 C GLY A 44 -8.353 3.478 0.548 1.00 0.00 C ATOM 680 O GLY A 44 -7.599 4.172 1.229 1.00 0.00 O ATOM 0 H GLY A 44 -9.328 2.904 -2.516 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.471 4.976 -0.974 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -9.964 4.097 -0.715 1.00 0.00 H new ATOM 684 N GLU A 45 -8.750 2.263 0.916 1.00 0.00 N ATOM 685 CA GLU A 45 -8.311 1.665 2.171 1.00 0.00 C ATOM 686 C GLU A 45 -6.788 1.663 2.270 1.00 0.00 C ATOM 687 O GLU A 45 -6.224 1.981 3.316 1.00 0.00 O ATOM 688 CB GLU A 45 -8.843 0.235 2.293 1.00 0.00 C ATOM 689 CG GLU A 45 -10.317 0.163 2.653 1.00 0.00 C ATOM 690 CD GLU A 45 -10.650 0.943 3.910 1.00 0.00 C ATOM 691 OE1 GLU A 45 -9.744 1.134 4.748 1.00 0.00 O ATOM 692 OE2 GLU A 45 -11.818 1.363 4.055 1.00 0.00 O ATOM 0 H GLU A 45 -9.374 1.675 0.363 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.710 2.265 2.989 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.682 -0.285 1.349 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.266 -0.295 3.051 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -10.909 0.549 1.823 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -10.603 -0.880 2.791 1.00 0.00 H new ATOM 699 N ALA A 46 -6.130 1.301 1.174 1.00 0.00 N ATOM 700 CA ALA A 46 -4.674 1.259 1.136 1.00 0.00 C ATOM 701 C ALA A 46 -4.077 2.629 1.441 1.00 0.00 C ATOM 702 O ALA A 46 -3.172 2.753 2.266 1.00 0.00 O ATOM 703 CB ALA A 46 -4.195 0.762 -0.220 1.00 0.00 C ATOM 0 H ALA A 46 -6.583 1.032 0.300 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.335 0.565 1.905 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.105 0.736 -0.234 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.584 -0.240 -0.398 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.552 1.434 -1.001 1.00 0.00 H new ATOM 709 N VAL A 47 -4.589 3.655 0.769 1.00 0.00 N ATOM 710 CA VAL A 47 -4.106 5.017 0.968 1.00 0.00 C ATOM 711 C VAL A 47 -3.918 5.321 2.450 1.00 0.00 C ATOM 712 O VAL A 47 -2.914 5.911 2.850 1.00 0.00 O ATOM 713 CB VAL A 47 -5.074 6.050 0.362 1.00 0.00 C ATOM 714 CG1 VAL A 47 -4.577 7.464 0.621 1.00 0.00 C ATOM 715 CG2 VAL A 47 -5.251 5.802 -1.129 1.00 0.00 C ATOM 0 H VAL A 47 -5.338 3.569 0.082 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.145 5.090 0.460 1.00 0.00 H new ATOM 0 HB VAL A 47 -6.046 5.939 0.844 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -5.274 8.180 0.185 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -4.506 7.634 1.695 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.594 7.593 0.168 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.938 6.541 -1.542 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -4.286 5.885 -1.629 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.656 4.802 -1.286 1.00 0.00 H new ATOM 725 N ASP A 48 -4.890 4.916 3.260 1.00 0.00 N ATOM 726 CA ASP A 48 -4.831 5.144 4.699 1.00 0.00 C ATOM 727 C ASP A 48 -3.791 4.238 5.351 1.00 0.00 C ATOM 728 O ASP A 48 -3.039 4.668 6.226 1.00 0.00 O ATOM 729 CB ASP A 48 -6.202 4.904 5.331 1.00 0.00 C ATOM 730 CG ASP A 48 -6.317 5.513 6.715 1.00 0.00 C ATOM 731 OD1 ASP A 48 -6.136 6.743 6.838 1.00 0.00 O ATOM 732 OD2 ASP A 48 -6.588 4.761 7.674 1.00 0.00 O ATOM 0 H ASP A 48 -5.728 4.428 2.944 1.00 0.00 H new ATOM 0 HA ASP A 48 -4.539 6.181 4.866 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -6.974 5.325 4.687 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -6.388 3.832 5.393 1.00 0.00 H new ATOM 737 N TRP A 49 -3.754 2.983 4.919 1.00 0.00 N ATOM 738 CA TRP A 49 -2.806 2.016 5.462 1.00 0.00 C ATOM 739 C TRP A 49 -1.370 2.482 5.249 1.00 0.00 C ATOM 740 O TRP A 49 -0.525 2.344 6.134 1.00 0.00 O ATOM 741 CB TRP A 49 -3.013 0.647 4.810 1.00 0.00 C ATOM 742 CG TRP A 49 -1.769 -0.189 4.777 1.00 0.00 C ATOM 743 CD1 TRP A 49 -1.265 -0.866 3.704 1.00 0.00 C ATOM 744 CD2 TRP A 49 -0.875 -0.438 5.867 1.00 0.00 C ATOM 745 NE1 TRP A 49 -0.111 -1.521 4.061 1.00 0.00 N ATOM 746 CE2 TRP A 49 0.150 -1.273 5.383 1.00 0.00 C ATOM 747 CE3 TRP A 49 -0.839 -0.034 7.205 1.00 0.00 C ATOM 748 CZ2 TRP A 49 1.196 -1.712 6.190 1.00 0.00 C ATOM 749 CZ3 TRP A 49 0.200 -0.470 8.004 1.00 0.00 C ATOM 750 CH2 TRP A 49 1.206 -1.302 7.495 1.00 0.00 C ATOM 0 H TRP A 49 -4.369 2.611 4.195 1.00 0.00 H new ATOM 0 HA TRP A 49 -2.985 1.932 6.534 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -3.790 0.108 5.352 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -3.374 0.788 3.791 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -1.708 -0.884 2.719 1.00 0.00 H new ATOM 0 HE1 TRP A 49 0.459 -2.098 3.442 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -1.610 0.607 7.607 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 1.972 -2.354 5.800 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 0.238 -0.164 9.039 1.00 0.00 H new ATOM 0 HH2 TRP A 49 2.005 -1.626 8.146 1.00 0.00 H new ATOM 761 N LEU A 50 -1.101 3.035 4.071 1.00 0.00 N ATOM 762 CA LEU A 50 0.235 3.522 3.743 1.00 0.00 C ATOM 763 C LEU A 50 0.487 4.887 4.376 1.00 0.00 C ATOM 764 O LEU A 50 1.566 5.144 4.911 1.00 0.00 O ATOM 765 CB LEU A 50 0.407 3.612 2.226 1.00 0.00 C ATOM 766 CG LEU A 50 1.700 4.264 1.735 1.00 0.00 C ATOM 767 CD1 LEU A 50 2.904 3.415 2.116 1.00 0.00 C ATOM 768 CD2 LEU A 50 1.651 4.477 0.229 1.00 0.00 C ATOM 0 H LEU A 50 -1.789 3.157 3.328 1.00 0.00 H new ATOM 0 HA LEU A 50 0.962 2.816 4.144 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.352 2.604 1.814 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.436 4.170 1.817 1.00 0.00 H new ATOM 0 HG LEU A 50 1.800 5.237 2.217 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.815 3.895 1.758 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.949 3.313 3.200 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.811 2.428 1.663 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.579 4.942 -0.103 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.527 3.516 -0.271 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.811 5.126 -0.020 1.00 0.00 H new ATOM 780 N TYR A 51 -0.515 5.756 4.314 1.00 0.00 N ATOM 781 CA TYR A 51 -0.402 7.095 4.882 1.00 0.00 C ATOM 782 C TYR A 51 -0.156 7.030 6.386 1.00 0.00 C ATOM 783 O TYR A 51 0.674 7.764 6.923 1.00 0.00 O ATOM 784 CB TYR A 51 -1.670 7.902 4.595 1.00 0.00 C ATOM 785 CG TYR A 51 -1.958 8.965 5.631 1.00 0.00 C ATOM 786 CD1 TYR A 51 -2.592 8.645 6.825 1.00 0.00 C ATOM 787 CD2 TYR A 51 -1.594 10.289 5.416 1.00 0.00 C ATOM 788 CE1 TYR A 51 -2.858 9.614 7.774 1.00 0.00 C ATOM 789 CE2 TYR A 51 -1.855 11.263 6.360 1.00 0.00 C ATOM 790 CZ TYR A 51 -2.487 10.921 7.537 1.00 0.00 C ATOM 791 OH TYR A 51 -2.749 11.888 8.480 1.00 0.00 O ATOM 0 H TYR A 51 -1.415 5.558 3.876 1.00 0.00 H new ATOM 0 HA TYR A 51 0.449 7.590 4.414 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -1.576 8.375 3.617 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -2.519 7.221 4.539 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -2.882 7.622 7.015 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -1.099 10.561 4.495 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -3.354 9.349 8.696 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -1.566 12.287 6.177 1.00 0.00 H new ATOM 0 HH TYR A 51 -2.423 12.755 8.159 1.00 0.00 H new ATOM 801 N ASP A 52 -0.883 6.146 7.060 1.00 0.00 N ATOM 802 CA ASP A 52 -0.744 5.982 8.502 1.00 0.00 C ATOM 803 C ASP A 52 0.609 5.369 8.851 1.00 0.00 C ATOM 804 O ASP A 52 1.106 5.530 9.967 1.00 0.00 O ATOM 805 CB ASP A 52 -1.871 5.105 9.049 1.00 0.00 C ATOM 806 CG ASP A 52 -1.508 3.633 9.056 1.00 0.00 C ATOM 807 OD1 ASP A 52 -0.564 3.258 9.782 1.00 0.00 O ATOM 808 OD2 ASP A 52 -2.168 2.856 8.336 1.00 0.00 O ATOM 0 H ASP A 52 -1.575 5.532 6.631 1.00 0.00 H new ATOM 0 HA ASP A 52 -0.806 6.968 8.962 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.114 5.421 10.064 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.767 5.252 8.446 1.00 0.00 H new ATOM 813 N LEU A 53 1.199 4.666 7.892 1.00 0.00 N ATOM 814 CA LEU A 53 2.495 4.027 8.098 1.00 0.00 C ATOM 815 C LEU A 53 3.634 5.003 7.819 1.00 0.00 C ATOM 816 O LEU A 53 4.721 4.883 8.384 1.00 0.00 O ATOM 817 CB LEU A 53 2.629 2.798 7.197 1.00 0.00 C ATOM 818 CG LEU A 53 3.919 1.991 7.350 1.00 0.00 C ATOM 819 CD1 LEU A 53 3.756 0.924 8.421 1.00 0.00 C ATOM 820 CD2 LEU A 53 4.314 1.361 6.023 1.00 0.00 C ATOM 0 H LEU A 53 0.801 4.523 6.964 1.00 0.00 H new ATOM 0 HA LEU A 53 2.556 3.714 9.140 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.785 2.136 7.391 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.548 3.122 6.160 1.00 0.00 H new ATOM 0 HG LEU A 53 4.715 2.669 7.659 1.00 0.00 H new ATOM 0 HD11 LEU A 53 4.684 0.359 8.516 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.520 1.398 9.374 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.947 0.249 8.142 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.234 0.791 6.151 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.519 0.696 5.685 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.472 2.144 5.281 1.00 0.00 H new ATOM 832 N LEU A 54 3.376 5.970 6.945 1.00 0.00 N ATOM 833 CA LEU A 54 4.378 6.969 6.592 1.00 0.00 C ATOM 834 C LEU A 54 4.447 8.068 7.648 1.00 0.00 C ATOM 835 O LEU A 54 5.532 8.486 8.054 1.00 0.00 O ATOM 836 CB LEU A 54 4.061 7.578 5.226 1.00 0.00 C ATOM 837 CG LEU A 54 4.041 6.606 4.046 1.00 0.00 C ATOM 838 CD1 LEU A 54 3.140 7.129 2.938 1.00 0.00 C ATOM 839 CD2 LEU A 54 5.451 6.372 3.523 1.00 0.00 C ATOM 0 H LEU A 54 2.482 6.083 6.468 1.00 0.00 H new ATOM 0 HA LEU A 54 5.348 6.474 6.545 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.088 8.066 5.285 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.796 8.356 5.018 1.00 0.00 H new ATOM 0 HG LEU A 54 3.641 5.653 4.393 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.139 6.424 2.107 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.125 7.244 3.318 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.510 8.095 2.594 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.417 5.678 2.683 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.879 7.319 3.194 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.068 5.952 4.317 1.00 0.00 H new ATOM 851 N ARG A 55 3.282 8.530 8.090 1.00 0.00 N ATOM 852 CA ARG A 55 3.210 9.580 9.099 1.00 0.00 C ATOM 853 C ARG A 55 4.020 9.202 10.336 1.00 0.00 C ATOM 854 O ARG A 55 4.675 10.048 10.943 1.00 0.00 O ATOM 855 CB ARG A 55 1.754 9.841 9.491 1.00 0.00 C ATOM 856 CG ARG A 55 1.095 8.671 10.203 1.00 0.00 C ATOM 857 CD ARG A 55 -0.194 9.092 10.892 1.00 0.00 C ATOM 858 NE ARG A 55 0.037 9.524 12.268 1.00 0.00 N ATOM 859 CZ ARG A 55 0.096 8.689 13.299 1.00 0.00 C ATOM 860 NH1 ARG A 55 -0.056 7.385 13.111 1.00 0.00 N ATOM 861 NH2 ARG A 55 0.309 9.158 14.522 1.00 0.00 N ATOM 0 H ARG A 55 2.375 8.194 7.765 1.00 0.00 H new ATOM 0 HA ARG A 55 3.633 10.489 8.672 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.712 10.718 10.137 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.182 10.078 8.594 1.00 0.00 H new ATOM 0 HG2 ARG A 55 0.883 7.879 9.484 1.00 0.00 H new ATOM 0 HG3 ARG A 55 1.784 8.257 10.939 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -0.657 9.903 10.330 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -0.897 8.259 10.887 1.00 0.00 H new ATOM 0 HE ARG A 55 0.160 10.521 12.447 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -0.219 7.021 12.172 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -0.010 6.746 13.905 1.00 0.00 H new ATOM 0 HH21 ARG A 55 0.427 10.160 14.670 1.00 0.00 H new ATOM 0 HH22 ARG A 55 0.354 8.516 15.314 1.00 0.00 H new ATOM 875 N ASN A 56 3.969 7.925 10.703 1.00 0.00 N ATOM 876 CA ASN A 56 4.698 7.435 11.867 1.00 0.00 C ATOM 877 C ASN A 56 6.204 7.543 11.652 1.00 0.00 C ATOM 878 O ASN A 56 6.952 7.867 12.573 1.00 0.00 O ATOM 879 CB ASN A 56 4.315 5.983 12.160 1.00 0.00 C ATOM 880 CG ASN A 56 5.215 4.993 11.446 1.00 0.00 C ATOM 881 OD1 ASN A 56 6.438 5.043 11.577 1.00 0.00 O ATOM 882 ND2 ASN A 56 4.611 4.087 10.685 1.00 0.00 N ATOM 0 H ASN A 56 3.431 7.212 10.211 1.00 0.00 H new ATOM 0 HA ASN A 56 4.427 8.055 12.722 1.00 0.00 H new ATOM 0 HB2 ASN A 56 4.365 5.806 13.234 1.00 0.00 H new ATOM 0 HB3 ASN A 56 3.282 5.814 11.857 1.00 0.00 H new ATOM 0 HD21 ASN A 56 5.164 3.395 10.180 1.00 0.00 H new ATOM 0 HD22 ASN A 56 3.594 4.083 10.606 1.00 0.00 H new ATOM 889 N ASN A 57 6.642 7.268 10.427 1.00 0.00 N ATOM 890 CA ASN A 57 8.059 7.333 10.090 1.00 0.00 C ATOM 891 C ASN A 57 8.597 8.750 10.270 1.00 0.00 C ATOM 892 O ASN A 57 7.853 9.725 10.164 1.00 0.00 O ATOM 893 CB ASN A 57 8.284 6.871 8.649 1.00 0.00 C ATOM 894 CG ASN A 57 9.669 6.290 8.437 1.00 0.00 C ATOM 895 OD1 ASN A 57 10.149 5.493 9.243 1.00 0.00 O ATOM 896 ND2 ASN A 57 10.317 6.688 7.349 1.00 0.00 N ATOM 0 H ASN A 57 6.036 6.998 9.652 1.00 0.00 H new ATOM 0 HA ASN A 57 8.598 6.669 10.766 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.535 6.122 8.389 1.00 0.00 H new ATOM 0 HB3 ASN A 57 8.139 7.714 7.973 1.00 0.00 H new ATOM 0 HD21 ASN A 57 11.252 6.331 7.153 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.880 7.351 6.709 1.00 0.00 H new ATOM 903 N SER A 58 9.893 8.855 10.544 1.00 0.00 N ATOM 904 CA SER A 58 10.530 10.151 10.742 1.00 0.00 C ATOM 905 C SER A 58 10.848 10.811 9.404 1.00 0.00 C ATOM 906 O SER A 58 10.539 11.982 9.187 1.00 0.00 O ATOM 907 CB SER A 58 11.811 9.994 11.563 1.00 0.00 C ATOM 908 OG SER A 58 11.541 9.396 12.820 1.00 0.00 O ATOM 0 H SER A 58 10.523 8.058 10.634 1.00 0.00 H new ATOM 0 HA SER A 58 9.834 10.790 11.286 1.00 0.00 H new ATOM 0 HB2 SER A 58 12.527 9.384 11.013 1.00 0.00 H new ATOM 0 HB3 SER A 58 12.273 10.970 11.713 1.00 0.00 H new ATOM 0 HG SER A 58 12.376 9.305 13.325 1.00 0.00 H new ATOM 914 N ASN A 59 11.469 10.049 8.509 1.00 0.00 N ATOM 915 CA ASN A 59 11.831 10.559 7.191 1.00 0.00 C ATOM 916 C ASN A 59 10.715 11.429 6.619 1.00 0.00 C ATOM 917 O ASN A 59 10.924 12.603 6.312 1.00 0.00 O ATOM 918 CB ASN A 59 12.129 9.400 6.237 1.00 0.00 C ATOM 919 CG ASN A 59 12.908 9.844 5.014 1.00 0.00 C ATOM 920 OD1 ASN A 59 12.342 10.393 4.069 1.00 0.00 O ATOM 921 ND2 ASN A 59 14.214 9.606 5.027 1.00 0.00 N ATOM 0 H ASN A 59 11.732 9.077 8.672 1.00 0.00 H new ATOM 0 HA ASN A 59 12.726 11.172 7.299 1.00 0.00 H new ATOM 0 HB2 ASN A 59 12.695 8.633 6.766 1.00 0.00 H new ATOM 0 HB3 ASN A 59 11.191 8.943 5.921 1.00 0.00 H new ATOM 0 HD21 ASN A 59 14.790 9.881 4.232 1.00 0.00 H new ATOM 0 HD22 ASN A 59 14.641 9.148 5.832 1.00 0.00 H new ATOM 928 N PHE A 60 9.530 10.845 6.479 1.00 0.00 N ATOM 929 CA PHE A 60 8.381 11.566 5.944 1.00 0.00 C ATOM 930 C PHE A 60 7.738 12.439 7.019 1.00 0.00 C ATOM 931 O PHE A 60 7.497 13.627 6.807 1.00 0.00 O ATOM 932 CB PHE A 60 7.350 10.584 5.386 1.00 0.00 C ATOM 933 CG PHE A 60 7.877 9.736 4.263 1.00 0.00 C ATOM 934 CD1 PHE A 60 8.551 8.555 4.527 1.00 0.00 C ATOM 935 CD2 PHE A 60 7.697 10.120 2.944 1.00 0.00 C ATOM 936 CE1 PHE A 60 9.038 7.774 3.496 1.00 0.00 C ATOM 937 CE2 PHE A 60 8.181 9.343 1.909 1.00 0.00 C ATOM 938 CZ PHE A 60 8.851 8.167 2.185 1.00 0.00 C ATOM 0 H PHE A 60 9.340 9.874 6.729 1.00 0.00 H new ATOM 0 HA PHE A 60 8.732 12.211 5.138 1.00 0.00 H new ATOM 0 HB2 PHE A 60 7.006 9.934 6.191 1.00 0.00 H new ATOM 0 HB3 PHE A 60 6.482 11.142 5.033 1.00 0.00 H new ATOM 0 HD1 PHE A 60 8.698 8.241 5.550 1.00 0.00 H new ATOM 0 HD2 PHE A 60 7.172 11.037 2.722 1.00 0.00 H new ATOM 0 HE1 PHE A 60 9.565 6.857 3.715 1.00 0.00 H new ATOM 0 HE2 PHE A 60 8.036 9.655 0.885 1.00 0.00 H new ATOM 0 HZ PHE A 60 9.228 7.556 1.378 1.00 0.00 H new ATOM 948 N GLY A 61 7.463 11.840 8.173 1.00 0.00 N ATOM 949 CA GLY A 61 6.850 12.576 9.263 1.00 0.00 C ATOM 950 C GLY A 61 5.342 12.659 9.131 1.00 0.00 C ATOM 951 O GLY A 61 4.764 12.268 8.117 1.00 0.00 O ATOM 0 H GLY A 61 7.654 10.858 8.373 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.103 12.096 10.209 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.265 13.583 9.296 1.00 0.00 H new ATOM 955 N PRO A 62 4.681 13.179 10.176 1.00 0.00 N ATOM 956 CA PRO A 62 3.222 13.324 10.196 1.00 0.00 C ATOM 957 C PRO A 62 2.732 14.395 9.228 1.00 0.00 C ATOM 958 O PRO A 62 1.529 14.557 9.025 1.00 0.00 O ATOM 959 CB PRO A 62 2.927 13.734 11.641 1.00 0.00 C ATOM 960 CG PRO A 62 4.182 14.381 12.116 1.00 0.00 C ATOM 961 CD PRO A 62 5.306 13.666 11.417 1.00 0.00 C ATOM 0 HA PRO A 62 2.717 12.409 9.886 1.00 0.00 H new ATOM 0 HB2 PRO A 62 2.083 14.422 11.693 1.00 0.00 H new ATOM 0 HB3 PRO A 62 2.671 12.869 12.253 1.00 0.00 H new ATOM 0 HG2 PRO A 62 4.188 15.444 11.877 1.00 0.00 H new ATOM 0 HG3 PRO A 62 4.279 14.297 13.198 1.00 0.00 H new ATOM 0 HD2 PRO A 62 6.141 14.335 11.210 1.00 0.00 H new ATOM 0 HD3 PRO A 62 5.696 12.846 12.019 1.00 0.00 H new ATOM 969 N GLU A 63 3.672 15.122 8.632 1.00 0.00 N ATOM 970 CA GLU A 63 3.334 16.178 7.685 1.00 0.00 C ATOM 971 C GLU A 63 2.721 15.594 6.415 1.00 0.00 C ATOM 972 O GLU A 63 2.010 16.282 5.682 1.00 0.00 O ATOM 973 CB GLU A 63 4.578 16.997 7.334 1.00 0.00 C ATOM 974 CG GLU A 63 5.735 16.156 6.821 1.00 0.00 C ATOM 975 CD GLU A 63 5.695 15.966 5.317 1.00 0.00 C ATOM 976 OE1 GLU A 63 5.222 16.885 4.615 1.00 0.00 O ATOM 977 OE2 GLU A 63 6.136 14.899 4.841 1.00 0.00 O ATOM 0 H GLU A 63 4.672 14.999 8.788 1.00 0.00 H new ATOM 0 HA GLU A 63 2.599 16.831 8.156 1.00 0.00 H new ATOM 0 HB2 GLU A 63 4.314 17.737 6.578 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.903 17.546 8.218 1.00 0.00 H new ATOM 0 HG2 GLU A 63 6.676 16.631 7.099 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.714 15.181 7.308 1.00 0.00 H new ATOM 984 N VAL A 64 3.002 14.320 6.161 1.00 0.00 N ATOM 985 CA VAL A 64 2.479 13.642 4.981 1.00 0.00 C ATOM 986 C VAL A 64 0.955 13.666 4.964 1.00 0.00 C ATOM 987 O VAL A 64 0.307 13.421 5.983 1.00 0.00 O ATOM 988 CB VAL A 64 2.960 12.181 4.914 1.00 0.00 C ATOM 989 CG1 VAL A 64 2.303 11.352 6.007 1.00 0.00 C ATOM 990 CG2 VAL A 64 2.676 11.589 3.542 1.00 0.00 C ATOM 0 H VAL A 64 3.589 13.736 6.757 1.00 0.00 H new ATOM 0 HA VAL A 64 2.857 14.181 4.112 1.00 0.00 H new ATOM 0 HB VAL A 64 4.038 12.164 5.076 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.655 10.322 5.944 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.562 11.765 6.982 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.221 11.374 5.879 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.023 10.556 3.513 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.604 11.618 3.348 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.198 12.169 2.781 1.00 0.00 H new ATOM 1000 N THR A 65 0.386 13.961 3.800 1.00 0.00 N ATOM 1001 CA THR A 65 -1.063 14.017 3.649 1.00 0.00 C ATOM 1002 C THR A 65 -1.532 13.125 2.506 1.00 0.00 C ATOM 1003 O THR A 65 -0.739 12.725 1.653 1.00 0.00 O ATOM 1004 CB THR A 65 -1.546 15.457 3.393 1.00 0.00 C ATOM 1005 OG1 THR A 65 -2.972 15.521 3.496 1.00 0.00 O ATOM 1006 CG2 THR A 65 -1.109 15.938 2.018 1.00 0.00 C ATOM 0 H THR A 65 0.907 14.165 2.947 1.00 0.00 H new ATOM 0 HA THR A 65 -1.492 13.659 4.585 1.00 0.00 H new ATOM 0 HB THR A 65 -1.099 16.106 4.146 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.271 16.440 3.334 1.00 0.00 H new ATOM 0 HG21 THR A 65 -1.462 16.957 1.860 1.00 0.00 H new ATOM 0 HG22 THR A 65 -0.021 15.916 1.954 1.00 0.00 H new ATOM 0 HG23 THR A 65 -1.531 15.286 1.253 1.00 0.00 H new ATOM 1014 N ARG A 66 -2.825 12.818 2.493 1.00 0.00 N ATOM 1015 CA ARG A 66 -3.399 11.972 1.454 1.00 0.00 C ATOM 1016 C ARG A 66 -2.757 12.262 0.101 1.00 0.00 C ATOM 1017 O ARG A 66 -2.213 11.365 -0.544 1.00 0.00 O ATOM 1018 CB ARG A 66 -4.911 12.187 1.369 1.00 0.00 C ATOM 1019 CG ARG A 66 -5.706 11.302 2.315 1.00 0.00 C ATOM 1020 CD ARG A 66 -7.127 11.813 2.495 1.00 0.00 C ATOM 1021 NE ARG A 66 -7.223 12.792 3.575 1.00 0.00 N ATOM 1022 CZ ARG A 66 -8.345 13.043 4.241 1.00 0.00 C ATOM 1023 NH1 ARG A 66 -9.459 12.390 3.941 1.00 0.00 N ATOM 1024 NH2 ARG A 66 -8.353 13.948 5.211 1.00 0.00 N ATOM 0 H ARG A 66 -3.495 13.143 3.190 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.201 10.933 1.716 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -5.134 13.231 1.588 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -5.239 11.999 0.347 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -5.731 10.284 1.927 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -5.207 11.262 3.283 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -7.471 12.265 1.564 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -7.790 10.974 2.706 1.00 0.00 H new ATOM 0 HE ARG A 66 -6.383 13.311 3.832 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -9.457 11.692 3.197 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -10.319 12.585 4.454 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -7.498 14.452 5.446 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -9.215 14.140 5.722 1.00 0.00 H new ATOM 1038 N GLN A 67 -2.825 13.520 -0.323 1.00 0.00 N ATOM 1039 CA GLN A 67 -2.251 13.927 -1.601 1.00 0.00 C ATOM 1040 C GLN A 67 -0.903 13.252 -1.832 1.00 0.00 C ATOM 1041 O GLN A 67 -0.741 12.474 -2.771 1.00 0.00 O ATOM 1042 CB GLN A 67 -2.089 15.448 -1.649 1.00 0.00 C ATOM 1043 CG GLN A 67 -3.393 16.191 -1.885 1.00 0.00 C ATOM 1044 CD GLN A 67 -3.187 17.531 -2.564 1.00 0.00 C ATOM 1045 OE1 GLN A 67 -2.262 17.701 -3.359 1.00 0.00 O ATOM 1046 NE2 GLN A 67 -4.049 18.492 -2.252 1.00 0.00 N ATOM 0 H GLN A 67 -3.271 14.274 0.199 1.00 0.00 H new ATOM 0 HA GLN A 67 -2.932 13.616 -2.393 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -1.651 15.788 -0.711 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -1.385 15.705 -2.441 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -4.052 15.575 -2.497 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -3.897 16.345 -0.931 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -4.801 18.307 -1.588 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -3.959 19.415 -2.676 1.00 0.00 H new ATOM 1055 N GLN A 68 0.061 13.557 -0.968 1.00 0.00 N ATOM 1056 CA GLN A 68 1.396 12.980 -1.080 1.00 0.00 C ATOM 1057 C GLN A 68 1.326 11.459 -1.170 1.00 0.00 C ATOM 1058 O GLN A 68 2.003 10.842 -1.994 1.00 0.00 O ATOM 1059 CB GLN A 68 2.254 13.392 0.117 1.00 0.00 C ATOM 1060 CG GLN A 68 2.794 14.810 0.018 1.00 0.00 C ATOM 1061 CD GLN A 68 3.589 15.045 -1.250 1.00 0.00 C ATOM 1062 OE1 GLN A 68 3.022 15.214 -2.330 1.00 0.00 O ATOM 1063 NE2 GLN A 68 4.911 15.058 -1.127 1.00 0.00 N ATOM 0 H GLN A 68 -0.057 14.199 -0.184 1.00 0.00 H new ATOM 0 HA GLN A 68 1.853 13.359 -1.994 1.00 0.00 H new ATOM 0 HB2 GLN A 68 1.661 13.300 1.027 1.00 0.00 H new ATOM 0 HB3 GLN A 68 3.090 12.699 0.210 1.00 0.00 H new ATOM 0 HG2 GLN A 68 1.963 15.514 0.057 1.00 0.00 H new ATOM 0 HG3 GLN A 68 3.426 15.015 0.882 1.00 0.00 H new ATOM 0 HE21 GLN A 68 5.340 14.914 -0.213 1.00 0.00 H new ATOM 0 HE22 GLN A 68 5.498 15.212 -1.947 1.00 0.00 H new ATOM 1072 N THR A 69 0.501 10.858 -0.318 1.00 0.00 N ATOM 1073 CA THR A 69 0.344 9.409 -0.300 1.00 0.00 C ATOM 1074 C THR A 69 -0.003 8.876 -1.685 1.00 0.00 C ATOM 1075 O THR A 69 0.627 7.938 -2.175 1.00 0.00 O ATOM 1076 CB THR A 69 -0.752 8.975 0.693 1.00 0.00 C ATOM 1077 OG1 THR A 69 -0.489 9.532 1.986 1.00 0.00 O ATOM 1078 CG2 THR A 69 -0.821 7.459 0.793 1.00 0.00 C ATOM 0 H THR A 69 -0.069 11.353 0.369 1.00 0.00 H new ATOM 0 HA THR A 69 1.299 8.992 0.018 1.00 0.00 H new ATOM 0 HB THR A 69 -1.710 9.343 0.327 1.00 0.00 H new ATOM 0 HG1 THR A 69 -1.238 10.104 2.254 1.00 0.00 H new ATOM 0 HG21 THR A 69 -1.601 7.176 1.499 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.049 7.040 -0.187 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.138 7.073 1.138 1.00 0.00 H new ATOM 1086 N ILE A 70 -1.006 9.481 -2.313 1.00 0.00 N ATOM 1087 CA ILE A 70 -1.434 9.068 -3.643 1.00 0.00 C ATOM 1088 C ILE A 70 -0.265 9.073 -4.623 1.00 0.00 C ATOM 1089 O ILE A 70 -0.069 8.119 -5.376 1.00 0.00 O ATOM 1090 CB ILE A 70 -2.548 9.982 -4.186 1.00 0.00 C ATOM 1091 CG1 ILE A 70 -3.787 9.898 -3.292 1.00 0.00 C ATOM 1092 CG2 ILE A 70 -2.895 9.603 -5.618 1.00 0.00 C ATOM 1093 CD1 ILE A 70 -4.689 11.108 -3.394 1.00 0.00 C ATOM 0 H ILE A 70 -1.537 10.259 -1.922 1.00 0.00 H new ATOM 0 HA ILE A 70 -1.822 8.054 -3.548 1.00 0.00 H new ATOM 0 HB ILE A 70 -2.188 11.011 -4.181 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -4.356 9.007 -3.557 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -3.470 9.777 -2.256 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.684 10.258 -5.987 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.011 9.709 -6.247 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -3.239 8.569 -5.648 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -5.546 10.979 -2.734 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -4.136 12.000 -3.101 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -5.036 11.218 -4.422 1.00 0.00 H new ATOM 1105 N GLN A 71 0.509 10.153 -4.606 1.00 0.00 N ATOM 1106 CA GLN A 71 1.660 10.282 -5.493 1.00 0.00 C ATOM 1107 C GLN A 71 2.666 9.164 -5.244 1.00 0.00 C ATOM 1108 O GLN A 71 3.149 8.529 -6.183 1.00 0.00 O ATOM 1109 CB GLN A 71 2.332 11.642 -5.296 1.00 0.00 C ATOM 1110 CG GLN A 71 1.762 12.736 -6.185 1.00 0.00 C ATOM 1111 CD GLN A 71 2.788 13.796 -6.536 1.00 0.00 C ATOM 1112 OE1 GLN A 71 3.083 14.027 -7.709 1.00 0.00 O ATOM 1113 NE2 GLN A 71 3.339 14.447 -5.518 1.00 0.00 N ATOM 0 H GLN A 71 0.361 10.951 -3.988 1.00 0.00 H new ATOM 0 HA GLN A 71 1.306 10.205 -6.521 1.00 0.00 H new ATOM 0 HB2 GLN A 71 2.228 11.942 -4.253 1.00 0.00 H new ATOM 0 HB3 GLN A 71 3.399 11.543 -5.495 1.00 0.00 H new ATOM 0 HG2 GLN A 71 1.377 12.290 -7.102 1.00 0.00 H new ATOM 0 HG3 GLN A 71 0.918 13.206 -5.681 1.00 0.00 H new ATOM 0 HE21 GLN A 71 3.065 14.223 -4.561 1.00 0.00 H new ATOM 0 HE22 GLN A 71 4.036 15.171 -5.693 1.00 0.00 H new ATOM 1122 N LEU A 72 2.979 8.928 -3.975 1.00 0.00 N ATOM 1123 CA LEU A 72 3.929 7.885 -3.602 1.00 0.00 C ATOM 1124 C LEU A 72 3.440 6.514 -4.057 1.00 0.00 C ATOM 1125 O LEU A 72 4.136 5.804 -4.784 1.00 0.00 O ATOM 1126 CB LEU A 72 4.148 7.885 -2.088 1.00 0.00 C ATOM 1127 CG LEU A 72 5.058 6.784 -1.542 1.00 0.00 C ATOM 1128 CD1 LEU A 72 6.468 6.935 -2.091 1.00 0.00 C ATOM 1129 CD2 LEU A 72 5.071 6.808 -0.020 1.00 0.00 C ATOM 0 H LEU A 72 2.589 9.445 -3.187 1.00 0.00 H new ATOM 0 HA LEU A 72 4.876 8.095 -4.100 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.566 8.850 -1.801 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.177 7.801 -1.600 1.00 0.00 H new ATOM 0 HG LEU A 72 4.665 5.821 -1.867 1.00 0.00 H new ATOM 0 HD11 LEU A 72 7.101 6.143 -1.691 1.00 0.00 H new ATOM 0 HD12 LEU A 72 6.444 6.867 -3.179 1.00 0.00 H new ATOM 0 HD13 LEU A 72 6.871 7.904 -1.797 1.00 0.00 H new ATOM 0 HD21 LEU A 72 5.724 6.018 0.351 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.439 7.774 0.326 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.060 6.649 0.355 1.00 0.00 H new ATOM 1141 N LEU A 73 2.237 6.148 -3.627 1.00 0.00 N ATOM 1142 CA LEU A 73 1.652 4.863 -3.992 1.00 0.00 C ATOM 1143 C LEU A 73 1.997 4.497 -5.432 1.00 0.00 C ATOM 1144 O LEU A 73 2.354 3.355 -5.724 1.00 0.00 O ATOM 1145 CB LEU A 73 0.134 4.902 -3.814 1.00 0.00 C ATOM 1146 CG LEU A 73 -0.578 3.549 -3.815 1.00 0.00 C ATOM 1147 CD1 LEU A 73 -0.483 2.895 -2.446 1.00 0.00 C ATOM 1148 CD2 LEU A 73 -2.032 3.711 -4.231 1.00 0.00 C ATOM 0 H LEU A 73 1.648 6.723 -3.025 1.00 0.00 H new ATOM 0 HA LEU A 73 2.069 4.102 -3.333 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.088 5.406 -2.873 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.289 5.513 -4.611 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.084 2.901 -4.539 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.995 1.933 -2.466 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.565 2.743 -2.187 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.950 3.540 -1.702 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.523 2.738 -4.226 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.539 4.376 -3.532 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.078 4.135 -5.234 1.00 0.00 H new ATOM 1160 N ARG A 74 1.891 5.473 -6.327 1.00 0.00 N ATOM 1161 CA ARG A 74 2.193 5.254 -7.737 1.00 0.00 C ATOM 1162 C ARG A 74 3.507 4.495 -7.899 1.00 0.00 C ATOM 1163 O ARG A 74 3.556 3.448 -8.546 1.00 0.00 O ATOM 1164 CB ARG A 74 2.269 6.590 -8.478 1.00 0.00 C ATOM 1165 CG ARG A 74 0.931 7.303 -8.586 1.00 0.00 C ATOM 1166 CD ARG A 74 1.062 8.623 -9.330 1.00 0.00 C ATOM 1167 NE ARG A 74 -0.194 9.024 -9.958 1.00 0.00 N ATOM 1168 CZ ARG A 74 -0.321 10.101 -10.725 1.00 0.00 C ATOM 1169 NH1 ARG A 74 0.725 10.881 -10.957 1.00 0.00 N ATOM 1170 NH2 ARG A 74 -1.498 10.400 -11.262 1.00 0.00 N ATOM 0 H ARG A 74 1.598 6.424 -6.101 1.00 0.00 H new ATOM 0 HA ARG A 74 1.391 4.654 -8.166 1.00 0.00 H new ATOM 0 HB2 ARG A 74 2.978 7.241 -7.965 1.00 0.00 H new ATOM 0 HB3 ARG A 74 2.662 6.418 -9.480 1.00 0.00 H new ATOM 0 HG2 ARG A 74 0.217 6.662 -9.103 1.00 0.00 H new ATOM 0 HG3 ARG A 74 0.533 7.485 -7.588 1.00 0.00 H new ATOM 0 HD2 ARG A 74 1.385 9.400 -8.637 1.00 0.00 H new ATOM 0 HD3 ARG A 74 1.836 8.534 -10.092 1.00 0.00 H new ATOM 0 HE ARG A 74 -1.019 8.445 -9.799 1.00 0.00 H new ATOM 0 HH11 ARG A 74 1.631 10.655 -10.546 1.00 0.00 H new ATOM 0 HH12 ARG A 74 0.624 11.707 -11.546 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -2.306 9.802 -11.086 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -1.595 11.227 -11.851 1.00 0.00 H new ATOM 1184 N LYS A 75 4.570 5.030 -7.309 1.00 0.00 N ATOM 1185 CA LYS A 75 5.885 4.404 -7.387 1.00 0.00 C ATOM 1186 C LYS A 75 5.779 2.892 -7.215 1.00 0.00 C ATOM 1187 O LYS A 75 6.281 2.126 -8.038 1.00 0.00 O ATOM 1188 CB LYS A 75 6.814 4.986 -6.320 1.00 0.00 C ATOM 1189 CG LYS A 75 7.550 6.236 -6.770 1.00 0.00 C ATOM 1190 CD LYS A 75 8.110 7.010 -5.588 1.00 0.00 C ATOM 1191 CE LYS A 75 9.025 8.136 -6.042 1.00 0.00 C ATOM 1192 NZ LYS A 75 8.279 9.196 -6.775 1.00 0.00 N ATOM 0 H LYS A 75 4.547 5.896 -6.771 1.00 0.00 H new ATOM 0 HA LYS A 75 6.300 4.611 -8.373 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.230 5.219 -5.430 1.00 0.00 H new ATOM 0 HB3 LYS A 75 7.543 4.229 -6.033 1.00 0.00 H new ATOM 0 HG2 LYS A 75 8.362 5.959 -7.442 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.872 6.875 -7.336 1.00 0.00 H new ATOM 0 HD2 LYS A 75 7.290 7.421 -5.000 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.661 6.332 -4.936 1.00 0.00 H new ATOM 0 HE2 LYS A 75 9.520 8.574 -5.175 1.00 0.00 H new ATOM 0 HE3 LYS A 75 9.807 7.732 -6.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 8.935 9.953 -7.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 7.842 8.788 -7.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 7.538 9.588 -6.159 1.00 0.00 H new ATOM 1206 N PHE A 76 5.122 2.469 -6.140 1.00 0.00 N ATOM 1207 CA PHE A 76 4.949 1.048 -5.860 1.00 0.00 C ATOM 1208 C PHE A 76 4.463 0.304 -7.100 1.00 0.00 C ATOM 1209 O PHE A 76 5.105 -0.639 -7.565 1.00 0.00 O ATOM 1210 CB PHE A 76 3.958 0.849 -4.711 1.00 0.00 C ATOM 1211 CG PHE A 76 4.515 1.227 -3.368 1.00 0.00 C ATOM 1212 CD1 PHE A 76 4.396 2.523 -2.893 1.00 0.00 C ATOM 1213 CD2 PHE A 76 5.157 0.285 -2.580 1.00 0.00 C ATOM 1214 CE1 PHE A 76 4.906 2.873 -1.657 1.00 0.00 C ATOM 1215 CE2 PHE A 76 5.670 0.629 -1.343 1.00 0.00 C ATOM 1216 CZ PHE A 76 5.545 1.925 -0.882 1.00 0.00 C ATOM 0 H PHE A 76 4.701 3.090 -5.449 1.00 0.00 H new ATOM 0 HA PHE A 76 5.917 0.641 -5.570 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.065 1.442 -4.905 1.00 0.00 H new ATOM 0 HB3 PHE A 76 3.648 -0.196 -4.686 1.00 0.00 H new ATOM 0 HD1 PHE A 76 3.899 3.269 -3.496 1.00 0.00 H new ATOM 0 HD2 PHE A 76 5.258 -0.730 -2.936 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.805 3.886 -1.298 1.00 0.00 H new ATOM 0 HE2 PHE A 76 6.168 -0.115 -0.738 1.00 0.00 H new ATOM 0 HZ PHE A 76 5.946 2.197 0.083 1.00 0.00 H new ATOM 1226 N LEU A 77 3.324 0.734 -7.632 1.00 0.00 N ATOM 1227 CA LEU A 77 2.749 0.110 -8.818 1.00 0.00 C ATOM 1228 C LEU A 77 3.742 0.124 -9.976 1.00 0.00 C ATOM 1229 O LEU A 77 3.847 -0.844 -10.730 1.00 0.00 O ATOM 1230 CB LEU A 77 1.463 0.831 -9.226 1.00 0.00 C ATOM 1231 CG LEU A 77 1.009 0.628 -10.672 1.00 0.00 C ATOM 1232 CD1 LEU A 77 0.420 -0.762 -10.856 1.00 0.00 C ATOM 1233 CD2 LEU A 77 -0.001 1.695 -11.069 1.00 0.00 C ATOM 0 H LEU A 77 2.780 1.513 -7.260 1.00 0.00 H new ATOM 0 HA LEU A 77 2.516 -0.927 -8.575 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.661 0.503 -8.565 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.599 1.899 -9.056 1.00 0.00 H new ATOM 0 HG LEU A 77 1.879 0.720 -11.322 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.102 -0.888 -11.891 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.173 -1.511 -10.613 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.439 -0.884 -10.196 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.313 1.535 -12.101 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.870 1.635 -10.414 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.456 2.680 -10.977 1.00 0.00 H new ATOM 1245 N LYS A 78 4.471 1.226 -10.110 1.00 0.00 N ATOM 1246 CA LYS A 78 5.459 1.366 -11.173 1.00 0.00 C ATOM 1247 C LYS A 78 6.562 0.323 -11.031 1.00 0.00 C ATOM 1248 O LYS A 78 6.997 -0.272 -12.017 1.00 0.00 O ATOM 1249 CB LYS A 78 6.065 2.771 -11.152 1.00 0.00 C ATOM 1250 CG LYS A 78 7.250 2.936 -12.088 1.00 0.00 C ATOM 1251 CD LYS A 78 8.060 4.177 -11.749 1.00 0.00 C ATOM 1252 CE LYS A 78 9.026 3.916 -10.604 1.00 0.00 C ATOM 1253 NZ LYS A 78 10.214 3.135 -11.047 1.00 0.00 N ATOM 0 H LYS A 78 4.396 2.036 -9.495 1.00 0.00 H new ATOM 0 HA LYS A 78 4.955 1.209 -12.127 1.00 0.00 H new ATOM 0 HB2 LYS A 78 5.295 3.494 -11.423 1.00 0.00 H new ATOM 0 HB3 LYS A 78 6.380 3.007 -10.135 1.00 0.00 H new ATOM 0 HG2 LYS A 78 7.889 2.055 -12.026 1.00 0.00 H new ATOM 0 HG3 LYS A 78 6.896 3.001 -13.117 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.616 4.502 -12.629 1.00 0.00 H new ATOM 0 HD3 LYS A 78 7.386 4.990 -11.480 1.00 0.00 H new ATOM 0 HE2 LYS A 78 9.353 4.866 -10.181 1.00 0.00 H new ATOM 0 HE3 LYS A 78 8.511 3.375 -9.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 10.910 3.094 -10.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 9.920 2.170 -11.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 10.643 3.595 -11.876 1.00 0.00 H new ATOM 1267 N ASN A 79 7.009 0.105 -9.799 1.00 0.00 N ATOM 1268 CA ASN A 79 8.062 -0.868 -9.529 1.00 0.00 C ATOM 1269 C ASN A 79 7.497 -2.285 -9.497 1.00 0.00 C ATOM 1270 O ASN A 79 8.169 -3.223 -9.066 1.00 0.00 O ATOM 1271 CB ASN A 79 8.749 -0.552 -8.199 1.00 0.00 C ATOM 1272 CG ASN A 79 9.907 0.414 -8.362 1.00 0.00 C ATOM 1273 OD1 ASN A 79 10.880 0.121 -9.056 1.00 0.00 O ATOM 1274 ND2 ASN A 79 9.806 1.572 -7.720 1.00 0.00 N ATOM 0 H ASN A 79 6.659 0.588 -8.972 1.00 0.00 H new ATOM 0 HA ASN A 79 8.795 -0.805 -10.333 1.00 0.00 H new ATOM 0 HB2 ASN A 79 8.020 -0.128 -7.508 1.00 0.00 H new ATOM 0 HB3 ASN A 79 9.111 -1.477 -7.751 1.00 0.00 H new ATOM 0 HD21 ASN A 79 10.554 2.262 -7.791 1.00 0.00 H new ATOM 0 HD22 ASN A 79 8.980 1.772 -7.156 1.00 0.00 H new ATOM 1281 N HIS A 80 6.259 -2.434 -9.959 1.00 0.00 N ATOM 1282 CA HIS A 80 5.604 -3.737 -9.985 1.00 0.00 C ATOM 1283 C HIS A 80 5.453 -4.297 -8.574 1.00 0.00 C ATOM 1284 O HIS A 80 5.505 -5.510 -8.367 1.00 0.00 O ATOM 1285 CB HIS A 80 6.400 -4.714 -10.851 1.00 0.00 C ATOM 1286 CG HIS A 80 5.630 -5.941 -11.231 1.00 0.00 C ATOM 1287 ND1 HIS A 80 6.227 -7.078 -11.734 1.00 0.00 N ATOM 1288 CD2 HIS A 80 4.304 -6.207 -11.177 1.00 0.00 C ATOM 1289 CE1 HIS A 80 5.301 -7.989 -11.975 1.00 0.00 C ATOM 1290 NE2 HIS A 80 4.125 -7.485 -11.645 1.00 0.00 N ATOM 0 H HIS A 80 5.690 -1.669 -10.320 1.00 0.00 H new ATOM 0 HA HIS A 80 4.610 -3.608 -10.414 1.00 0.00 H new ATOM 0 HB2 HIS A 80 6.724 -4.203 -11.758 1.00 0.00 H new ATOM 0 HB3 HIS A 80 7.301 -5.012 -10.314 1.00 0.00 H new ATOM 0 HD2 HIS A 80 3.530 -5.538 -10.830 1.00 0.00 H new ATOM 0 HE1 HIS A 80 5.476 -8.977 -12.374 1.00 0.00 H new ATOM 0 HE2 HIS A 80 3.230 -7.967 -11.725 1.00 0.00 H new ATOM 1298 N VAL A 81 5.265 -3.406 -7.605 1.00 0.00 N ATOM 1299 CA VAL A 81 5.105 -3.812 -6.214 1.00 0.00 C ATOM 1300 C VAL A 81 3.668 -4.231 -5.925 1.00 0.00 C ATOM 1301 O VAL A 81 3.417 -5.065 -5.055 1.00 0.00 O ATOM 1302 CB VAL A 81 5.501 -2.677 -5.250 1.00 0.00 C ATOM 1303 CG1 VAL A 81 5.270 -3.098 -3.807 1.00 0.00 C ATOM 1304 CG2 VAL A 81 6.951 -2.274 -5.470 1.00 0.00 C ATOM 0 H VAL A 81 5.220 -2.399 -7.758 1.00 0.00 H new ATOM 0 HA VAL A 81 5.767 -4.663 -6.054 1.00 0.00 H new ATOM 0 HB VAL A 81 4.871 -1.812 -5.457 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.555 -2.284 -3.140 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.216 -3.334 -3.661 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.873 -3.978 -3.584 1.00 0.00 H new ATOM 0 HG21 VAL A 81 7.214 -1.471 -4.781 1.00 0.00 H new ATOM 0 HG22 VAL A 81 7.598 -3.132 -5.291 1.00 0.00 H new ATOM 0 HG23 VAL A 81 7.081 -1.929 -6.496 1.00 0.00 H new ATOM 1314 N ILE A 82 2.728 -3.646 -6.660 1.00 0.00 N ATOM 1315 CA ILE A 82 1.316 -3.960 -6.484 1.00 0.00 C ATOM 1316 C ILE A 82 0.561 -3.860 -7.805 1.00 0.00 C ATOM 1317 O ILE A 82 0.684 -2.871 -8.527 1.00 0.00 O ATOM 1318 CB ILE A 82 0.655 -3.024 -5.455 1.00 0.00 C ATOM 1319 CG1 ILE A 82 0.880 -1.562 -5.846 1.00 0.00 C ATOM 1320 CG2 ILE A 82 1.202 -3.296 -4.062 1.00 0.00 C ATOM 1321 CD1 ILE A 82 0.098 -0.582 -4.999 1.00 0.00 C ATOM 0 H ILE A 82 2.919 -2.952 -7.383 1.00 0.00 H new ATOM 0 HA ILE A 82 1.264 -4.985 -6.116 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.418 -3.218 -5.446 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.942 -1.332 -5.765 1.00 0.00 H new ATOM 0 HG13 ILE A 82 0.603 -1.427 -6.892 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.725 -2.626 -3.347 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.995 -4.330 -3.785 1.00 0.00 H new ATOM 0 HG23 ILE A 82 2.279 -3.127 -4.055 1.00 0.00 H new ATOM 0 HD11 ILE A 82 0.306 0.435 -5.333 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -0.968 -0.785 -5.099 1.00 0.00 H new ATOM 0 HD13 ILE A 82 0.392 -0.688 -3.955 1.00 0.00 H new ATOM 1333 N GLU A 83 -0.221 -4.889 -8.113 1.00 0.00 N ATOM 1334 CA GLU A 83 -0.997 -4.915 -9.348 1.00 0.00 C ATOM 1335 C GLU A 83 -2.469 -4.624 -9.072 1.00 0.00 C ATOM 1336 O GLU A 83 -2.906 -4.614 -7.920 1.00 0.00 O ATOM 1337 CB GLU A 83 -0.855 -6.274 -10.037 1.00 0.00 C ATOM 1338 CG GLU A 83 -1.748 -7.352 -9.446 1.00 0.00 C ATOM 1339 CD GLU A 83 -1.525 -8.709 -10.085 1.00 0.00 C ATOM 1340 OE1 GLU A 83 -0.350 -9.103 -10.245 1.00 0.00 O ATOM 1341 OE2 GLU A 83 -2.524 -9.378 -10.424 1.00 0.00 O ATOM 0 H GLU A 83 -0.334 -5.715 -7.526 1.00 0.00 H new ATOM 0 HA GLU A 83 -0.609 -4.139 -10.007 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -1.088 -6.161 -11.096 1.00 0.00 H new ATOM 0 HB3 GLU A 83 0.184 -6.598 -9.972 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -1.563 -7.424 -8.374 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -2.792 -7.063 -9.571 1.00 0.00 H new ATOM 1348 N ASP A 84 -3.229 -4.388 -10.135 1.00 0.00 N ATOM 1349 CA ASP A 84 -4.653 -4.096 -10.009 1.00 0.00 C ATOM 1350 C ASP A 84 -5.479 -5.375 -10.107 1.00 0.00 C ATOM 1351 O ASP A 84 -4.952 -6.445 -10.411 1.00 0.00 O ATOM 1352 CB ASP A 84 -5.090 -3.107 -11.089 1.00 0.00 C ATOM 1353 CG ASP A 84 -5.549 -3.800 -12.358 1.00 0.00 C ATOM 1354 OD1 ASP A 84 -4.713 -4.462 -13.007 1.00 0.00 O ATOM 1355 OD2 ASP A 84 -6.744 -3.679 -12.701 1.00 0.00 O ATOM 0 H ASP A 84 -2.883 -4.393 -11.095 1.00 0.00 H new ATOM 0 HA ASP A 84 -4.823 -3.649 -9.030 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -5.900 -2.487 -10.704 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -4.261 -2.439 -11.323 1.00 0.00 H new ATOM 1360 N ILE A 85 -6.777 -5.255 -9.847 1.00 0.00 N ATOM 1361 CA ILE A 85 -7.676 -6.401 -9.906 1.00 0.00 C ATOM 1362 C ILE A 85 -7.300 -7.336 -11.050 1.00 0.00 C ATOM 1363 O ILE A 85 -7.172 -8.546 -10.862 1.00 0.00 O ATOM 1364 CB ILE A 85 -9.141 -5.959 -10.079 1.00 0.00 C ATOM 1365 CG1 ILE A 85 -10.031 -7.169 -10.369 1.00 0.00 C ATOM 1366 CG2 ILE A 85 -9.255 -4.931 -11.195 1.00 0.00 C ATOM 1367 CD1 ILE A 85 -10.185 -8.102 -9.188 1.00 0.00 C ATOM 0 H ILE A 85 -7.229 -4.376 -9.594 1.00 0.00 H new ATOM 0 HA ILE A 85 -7.575 -6.931 -8.959 1.00 0.00 H new ATOM 0 HB ILE A 85 -9.478 -5.498 -9.151 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -11.017 -6.820 -10.677 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -9.613 -7.724 -11.209 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -10.296 -4.628 -11.306 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -8.648 -4.060 -10.950 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -8.903 -5.368 -12.130 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -10.828 -8.937 -9.465 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -9.206 -8.480 -8.893 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -10.631 -7.562 -8.353 1.00 0.00 H new ATOM 1379 N LYS A 86 -7.123 -6.767 -12.238 1.00 0.00 N ATOM 1380 CA LYS A 86 -6.758 -7.548 -13.414 1.00 0.00 C ATOM 1381 C LYS A 86 -5.338 -8.090 -13.288 1.00 0.00 C ATOM 1382 O LYS A 86 -5.087 -9.267 -13.545 1.00 0.00 O ATOM 1383 CB LYS A 86 -6.879 -6.693 -14.677 1.00 0.00 C ATOM 1384 CG LYS A 86 -8.255 -6.745 -15.318 1.00 0.00 C ATOM 1385 CD LYS A 86 -9.292 -6.028 -14.470 1.00 0.00 C ATOM 1386 CE LYS A 86 -10.547 -5.717 -15.270 1.00 0.00 C ATOM 1387 NZ LYS A 86 -10.294 -4.693 -16.322 1.00 0.00 N ATOM 0 H LYS A 86 -7.227 -5.767 -12.412 1.00 0.00 H new ATOM 0 HA LYS A 86 -7.445 -8.391 -13.487 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -6.642 -5.658 -14.429 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.137 -7.025 -15.403 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -8.214 -6.289 -16.307 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -8.553 -7.784 -15.458 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -9.551 -6.646 -13.610 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -8.868 -5.102 -14.081 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -10.918 -6.631 -15.734 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -11.328 -5.362 -14.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -11.195 -4.262 -16.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -9.663 -3.957 -15.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -9.846 -5.144 -17.145 1.00 0.00 H new ATOM 1401 N GLY A 87 -4.411 -7.224 -12.889 1.00 0.00 N ATOM 1402 CA GLY A 87 -3.028 -7.635 -12.735 1.00 0.00 C ATOM 1403 C GLY A 87 -2.107 -6.954 -13.727 1.00 0.00 C ATOM 1404 O GLY A 87 -1.142 -7.554 -14.201 1.00 0.00 O ATOM 0 H GLY A 87 -4.594 -6.245 -12.670 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -2.696 -7.409 -11.722 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -2.957 -8.715 -12.861 1.00 0.00 H new ATOM 1408 N ARG A 88 -2.405 -5.698 -14.043 1.00 0.00 N ATOM 1409 CA ARG A 88 -1.597 -4.936 -14.988 1.00 0.00 C ATOM 1410 C ARG A 88 -0.698 -3.943 -14.257 1.00 0.00 C ATOM 1411 O ARG A 88 -1.179 -2.995 -13.636 1.00 0.00 O ATOM 1412 CB ARG A 88 -2.497 -4.193 -15.977 1.00 0.00 C ATOM 1413 CG ARG A 88 -3.616 -3.408 -15.312 1.00 0.00 C ATOM 1414 CD ARG A 88 -4.043 -2.220 -16.160 1.00 0.00 C ATOM 1415 NE ARG A 88 -5.049 -2.590 -17.152 1.00 0.00 N ATOM 1416 CZ ARG A 88 -6.351 -2.643 -16.895 1.00 0.00 C ATOM 1417 NH1 ARG A 88 -6.803 -2.352 -15.683 1.00 0.00 N ATOM 1418 NH2 ARG A 88 -7.204 -2.989 -17.851 1.00 0.00 N ATOM 0 H ARG A 88 -3.200 -5.187 -13.659 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.966 -5.636 -15.536 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -1.887 -3.510 -16.568 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -2.932 -4.913 -16.671 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -4.471 -4.063 -15.144 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -3.285 -3.058 -14.334 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -4.441 -1.438 -15.514 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -3.172 -1.803 -16.665 1.00 0.00 H new ATOM 0 HE ARG A 88 -4.734 -2.820 -18.094 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -6.150 -2.087 -14.945 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -7.803 -2.393 -15.488 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -6.860 -3.215 -18.784 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -8.204 -3.029 -17.652 1.00 0.00 H new ATOM 1432 N TRP A 89 0.608 -4.168 -14.335 1.00 0.00 N ATOM 1433 CA TRP A 89 1.575 -3.294 -13.681 1.00 0.00 C ATOM 1434 C TRP A 89 2.209 -2.336 -14.683 1.00 0.00 C ATOM 1435 O TRP A 89 1.929 -2.400 -15.880 1.00 0.00 O ATOM 1436 CB TRP A 89 2.661 -4.123 -12.993 1.00 0.00 C ATOM 1437 CG TRP A 89 3.570 -4.826 -13.956 1.00 0.00 C ATOM 1438 CD1 TRP A 89 3.324 -6.002 -14.606 1.00 0.00 C ATOM 1439 CD2 TRP A 89 4.870 -4.398 -14.374 1.00 0.00 C ATOM 1440 NE1 TRP A 89 4.393 -6.331 -15.403 1.00 0.00 N ATOM 1441 CE2 TRP A 89 5.355 -5.363 -15.280 1.00 0.00 C ATOM 1442 CE3 TRP A 89 5.672 -3.294 -14.074 1.00 0.00 C ATOM 1443 CZ2 TRP A 89 6.604 -5.254 -15.884 1.00 0.00 C ATOM 1444 CZ3 TRP A 89 6.912 -3.187 -14.675 1.00 0.00 C ATOM 1445 CH2 TRP A 89 7.368 -4.162 -15.572 1.00 0.00 C ATOM 0 H TRP A 89 1.022 -4.948 -14.845 1.00 0.00 H new ATOM 0 HA TRP A 89 1.046 -2.707 -12.930 1.00 0.00 H new ATOM 0 HB2 TRP A 89 3.255 -3.471 -12.353 1.00 0.00 H new ATOM 0 HB3 TRP A 89 2.189 -4.861 -12.345 1.00 0.00 H new ATOM 0 HD1 TRP A 89 2.422 -6.587 -14.508 1.00 0.00 H new ATOM 0 HE1 TRP A 89 4.460 -7.162 -15.991 1.00 0.00 H new ATOM 0 HE3 TRP A 89 5.329 -2.537 -13.384 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 6.958 -6.005 -16.575 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 7.540 -2.338 -14.449 1.00 0.00 H new ATOM 0 HH2 TRP A 89 8.341 -4.050 -16.026 1.00 0.00 H new ATOM 1456 N GLY A 90 3.064 -1.447 -14.187 1.00 0.00 N ATOM 1457 CA GLY A 90 3.724 -0.488 -15.054 1.00 0.00 C ATOM 1458 C GLY A 90 2.776 0.577 -15.568 1.00 0.00 C ATOM 1459 O GLY A 90 2.796 0.917 -16.751 1.00 0.00 O ATOM 0 H GLY A 90 3.312 -1.374 -13.200 1.00 0.00 H new ATOM 0 HA2 GLY A 90 4.540 -0.012 -14.510 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.169 -1.013 -15.899 1.00 0.00 H new ATOM 1463 N SER A 91 1.941 1.104 -14.678 1.00 0.00 N ATOM 1464 CA SER A 91 0.977 2.133 -15.049 1.00 0.00 C ATOM 1465 C SER A 91 1.267 3.439 -14.316 1.00 0.00 C ATOM 1466 O SER A 91 0.981 4.523 -14.822 1.00 0.00 O ATOM 1467 CB SER A 91 -0.446 1.665 -14.737 1.00 0.00 C ATOM 1468 OG SER A 91 -0.819 0.578 -15.568 1.00 0.00 O ATOM 0 H SER A 91 1.913 0.835 -13.695 1.00 0.00 H new ATOM 0 HA SER A 91 1.067 2.310 -16.121 1.00 0.00 H new ATOM 0 HB2 SER A 91 -0.513 1.367 -13.691 1.00 0.00 H new ATOM 0 HB3 SER A 91 -1.143 2.491 -14.878 1.00 0.00 H new ATOM 0 HG SER A 91 -1.731 0.296 -15.348 1.00 0.00 H new ATOM 1474 N GLU A 92 1.837 3.325 -13.120 1.00 0.00 N ATOM 1475 CA GLU A 92 2.165 4.497 -12.317 1.00 0.00 C ATOM 1476 C GLU A 92 0.977 5.451 -12.236 1.00 0.00 C ATOM 1477 O GLU A 92 1.149 6.667 -12.152 1.00 0.00 O ATOM 1478 CB GLU A 92 3.378 5.222 -12.904 1.00 0.00 C ATOM 1479 CG GLU A 92 3.105 5.872 -14.250 1.00 0.00 C ATOM 1480 CD GLU A 92 4.156 6.899 -14.625 1.00 0.00 C ATOM 1481 OE1 GLU A 92 4.571 7.674 -13.738 1.00 0.00 O ATOM 1482 OE2 GLU A 92 4.563 6.929 -15.805 1.00 0.00 O ATOM 0 H GLU A 92 2.081 2.434 -12.687 1.00 0.00 H new ATOM 0 HA GLU A 92 2.406 4.159 -11.309 1.00 0.00 H new ATOM 0 HB2 GLU A 92 3.709 5.986 -12.201 1.00 0.00 H new ATOM 0 HB3 GLU A 92 4.198 4.512 -13.012 1.00 0.00 H new ATOM 0 HG2 GLU A 92 3.064 5.101 -15.020 1.00 0.00 H new ATOM 0 HG3 GLU A 92 2.126 6.351 -14.226 1.00 0.00 H new ATOM 1489 N ASN A 93 -0.228 4.891 -12.264 1.00 0.00 N ATOM 1490 CA ASN A 93 -1.445 5.692 -12.196 1.00 0.00 C ATOM 1491 C ASN A 93 -2.419 5.114 -11.174 1.00 0.00 C ATOM 1492 O ASN A 93 -3.070 4.099 -11.425 1.00 0.00 O ATOM 1493 CB ASN A 93 -2.112 5.762 -13.571 1.00 0.00 C ATOM 1494 CG ASN A 93 -3.564 6.191 -13.488 1.00 0.00 C ATOM 1495 OD1 ASN A 93 -4.460 5.361 -13.332 1.00 0.00 O ATOM 1496 ND2 ASN A 93 -3.803 7.493 -13.592 1.00 0.00 N ATOM 0 H ASN A 93 -0.388 3.886 -12.333 1.00 0.00 H new ATOM 0 HA ASN A 93 -1.171 6.699 -11.882 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -1.565 6.462 -14.202 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -2.051 4.785 -14.051 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -4.760 7.841 -13.543 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -3.029 8.145 -13.721 1.00 0.00 H new ATOM 1503 N VAL A 94 -2.516 5.767 -10.021 1.00 0.00 N ATOM 1504 CA VAL A 94 -3.413 5.320 -8.961 1.00 0.00 C ATOM 1505 C VAL A 94 -4.101 6.502 -8.288 1.00 0.00 C ATOM 1506 O VAL A 94 -3.748 7.657 -8.527 1.00 0.00 O ATOM 1507 CB VAL A 94 -2.658 4.504 -7.895 1.00 0.00 C ATOM 1508 CG1 VAL A 94 -2.060 3.247 -8.508 1.00 0.00 C ATOM 1509 CG2 VAL A 94 -1.579 5.353 -7.240 1.00 0.00 C ATOM 0 H VAL A 94 -1.984 6.608 -9.796 1.00 0.00 H new ATOM 0 HA VAL A 94 -4.165 4.685 -9.429 1.00 0.00 H new ATOM 0 HB VAL A 94 -3.367 4.201 -7.125 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -1.531 2.684 -7.739 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -2.857 2.631 -8.925 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -1.363 3.524 -9.299 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -1.056 4.761 -6.489 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -0.870 5.688 -7.997 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -2.037 6.220 -6.763 1.00 0.00 H new ATOM 1519 N ASP A 95 -5.083 6.206 -7.445 1.00 0.00 N ATOM 1520 CA ASP A 95 -5.821 7.244 -6.734 1.00 0.00 C ATOM 1521 C ASP A 95 -6.537 6.666 -5.518 1.00 0.00 C ATOM 1522 O ASP A 95 -6.515 5.457 -5.288 1.00 0.00 O ATOM 1523 CB ASP A 95 -6.832 7.910 -7.668 1.00 0.00 C ATOM 1524 CG ASP A 95 -6.229 8.273 -9.011 1.00 0.00 C ATOM 1525 OD1 ASP A 95 -6.120 7.376 -9.874 1.00 0.00 O ATOM 1526 OD2 ASP A 95 -5.868 9.453 -9.200 1.00 0.00 O ATOM 0 H ASP A 95 -5.387 5.255 -7.237 1.00 0.00 H new ATOM 0 HA ASP A 95 -5.107 7.993 -6.390 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -7.677 7.239 -7.822 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -7.223 8.810 -7.193 1.00 0.00 H new ATOM 1531 N ASP A 96 -7.169 7.539 -4.741 1.00 0.00 N ATOM 1532 CA ASP A 96 -7.892 7.116 -3.547 1.00 0.00 C ATOM 1533 C ASP A 96 -9.270 6.570 -3.910 1.00 0.00 C ATOM 1534 O ASP A 96 -10.114 6.360 -3.041 1.00 0.00 O ATOM 1535 CB ASP A 96 -8.034 8.284 -2.570 1.00 0.00 C ATOM 1536 CG ASP A 96 -8.824 7.910 -1.331 1.00 0.00 C ATOM 1537 OD1 ASP A 96 -8.287 7.158 -0.491 1.00 0.00 O ATOM 1538 OD2 ASP A 96 -9.978 8.368 -1.202 1.00 0.00 O ATOM 0 H ASP A 96 -7.195 8.543 -4.916 1.00 0.00 H new ATOM 0 HA ASP A 96 -7.320 6.320 -3.069 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -7.043 8.630 -2.275 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -8.525 9.117 -3.073 1.00 0.00 H new ATOM 1543 N ASN A 97 -9.489 6.343 -5.201 1.00 0.00 N ATOM 1544 CA ASN A 97 -10.765 5.824 -5.680 1.00 0.00 C ATOM 1545 C ASN A 97 -10.993 4.400 -5.182 1.00 0.00 C ATOM 1546 O ASN A 97 -10.143 3.824 -4.505 1.00 0.00 O ATOM 1547 CB ASN A 97 -10.810 5.855 -7.209 1.00 0.00 C ATOM 1548 CG ASN A 97 -10.980 7.260 -7.754 1.00 0.00 C ATOM 1549 OD1 ASN A 97 -11.905 7.978 -7.374 1.00 0.00 O ATOM 1550 ND2 ASN A 97 -10.085 7.659 -8.651 1.00 0.00 N ATOM 0 H ASN A 97 -8.800 6.510 -5.934 1.00 0.00 H new ATOM 0 HA ASN A 97 -11.559 6.459 -5.287 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -9.891 5.423 -7.606 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -11.632 5.231 -7.558 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -10.148 8.594 -9.054 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -9.334 7.030 -8.937 1.00 0.00 H new ATOM 1557 N ASN A 98 -12.148 3.838 -5.525 1.00 0.00 N ATOM 1558 CA ASN A 98 -12.489 2.481 -5.113 1.00 0.00 C ATOM 1559 C ASN A 98 -11.808 1.452 -6.010 1.00 0.00 C ATOM 1560 O ASN A 98 -12.137 0.267 -5.972 1.00 0.00 O ATOM 1561 CB ASN A 98 -14.006 2.281 -5.148 1.00 0.00 C ATOM 1562 CG ASN A 98 -14.494 1.799 -6.500 1.00 0.00 C ATOM 1563 OD1 ASN A 98 -15.130 0.750 -6.605 1.00 0.00 O ATOM 1564 ND2 ASN A 98 -14.197 2.565 -7.544 1.00 0.00 N ATOM 0 H ASN A 98 -12.863 4.301 -6.087 1.00 0.00 H new ATOM 0 HA ASN A 98 -12.134 2.338 -4.092 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -14.292 1.559 -4.383 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -14.500 3.221 -4.900 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -14.498 2.292 -8.479 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -13.668 3.427 -7.410 1.00 0.00 H new ATOM 1571 N GLN A 99 -10.859 1.915 -6.817 1.00 0.00 N ATOM 1572 CA GLN A 99 -10.132 1.035 -7.724 1.00 0.00 C ATOM 1573 C GLN A 99 -9.495 -0.124 -6.965 1.00 0.00 C ATOM 1574 O GLN A 99 -8.467 0.041 -6.307 1.00 0.00 O ATOM 1575 CB GLN A 99 -9.056 1.820 -8.476 1.00 0.00 C ATOM 1576 CG GLN A 99 -9.613 2.931 -9.352 1.00 0.00 C ATOM 1577 CD GLN A 99 -8.690 3.286 -10.501 1.00 0.00 C ATOM 1578 OE1 GLN A 99 -7.720 2.580 -10.775 1.00 0.00 O ATOM 1579 NE2 GLN A 99 -8.989 4.387 -11.182 1.00 0.00 N ATOM 0 H GLN A 99 -10.576 2.894 -6.861 1.00 0.00 H new ATOM 0 HA GLN A 99 -10.844 0.627 -8.442 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -8.362 2.251 -7.755 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -8.483 1.131 -9.097 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -10.581 2.625 -9.750 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -9.785 3.818 -8.742 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -9.803 4.943 -10.921 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -8.404 4.676 -11.966 1.00 0.00 H new ATOM 1588 N LEU A 100 -10.112 -1.296 -7.059 1.00 0.00 N ATOM 1589 CA LEU A 100 -9.606 -2.484 -6.380 1.00 0.00 C ATOM 1590 C LEU A 100 -8.168 -2.777 -6.795 1.00 0.00 C ATOM 1591 O LEU A 100 -7.774 -2.519 -7.933 1.00 0.00 O ATOM 1592 CB LEU A 100 -10.494 -3.691 -6.691 1.00 0.00 C ATOM 1593 CG LEU A 100 -11.793 -3.791 -5.891 1.00 0.00 C ATOM 1594 CD1 LEU A 100 -12.746 -4.780 -6.543 1.00 0.00 C ATOM 1595 CD2 LEU A 100 -11.505 -4.194 -4.452 1.00 0.00 C ATOM 0 H LEU A 100 -10.964 -1.450 -7.599 1.00 0.00 H new ATOM 0 HA LEU A 100 -9.624 -2.294 -5.307 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.744 -3.669 -7.752 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -9.914 -4.598 -6.519 1.00 0.00 H new ATOM 0 HG LEU A 100 -12.269 -2.810 -5.883 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -13.665 -4.838 -5.960 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -12.979 -4.448 -7.555 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -12.278 -5.764 -6.582 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -12.442 -4.260 -3.898 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -11.006 -5.163 -4.438 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -10.861 -3.448 -3.987 1.00 0.00 H new ATOM 1607 N PHE A 101 -7.388 -3.320 -5.866 1.00 0.00 N ATOM 1608 CA PHE A 101 -5.993 -3.649 -6.135 1.00 0.00 C ATOM 1609 C PHE A 101 -5.642 -5.025 -5.577 1.00 0.00 C ATOM 1610 O PHE A 101 -6.457 -5.662 -4.910 1.00 0.00 O ATOM 1611 CB PHE A 101 -5.070 -2.589 -5.530 1.00 0.00 C ATOM 1612 CG PHE A 101 -4.864 -1.396 -6.418 1.00 0.00 C ATOM 1613 CD1 PHE A 101 -3.876 -1.402 -7.390 1.00 0.00 C ATOM 1614 CD2 PHE A 101 -5.658 -0.269 -6.283 1.00 0.00 C ATOM 1615 CE1 PHE A 101 -3.683 -0.305 -8.208 1.00 0.00 C ATOM 1616 CE2 PHE A 101 -5.470 0.831 -7.099 1.00 0.00 C ATOM 1617 CZ PHE A 101 -4.482 0.812 -8.063 1.00 0.00 C ATOM 0 H PHE A 101 -7.698 -3.542 -4.920 1.00 0.00 H new ATOM 0 HA PHE A 101 -5.852 -3.668 -7.216 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -5.486 -2.256 -4.579 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -4.103 -3.042 -5.313 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -3.250 -2.274 -7.509 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -6.433 -0.249 -5.531 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -2.908 -0.321 -8.960 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -6.095 1.704 -6.982 1.00 0.00 H new ATOM 0 HZ PHE A 101 -4.334 1.669 -8.703 1.00 0.00 H new ATOM 1627 N ARG A 102 -4.423 -5.476 -5.855 1.00 0.00 N ATOM 1628 CA ARG A 102 -3.963 -6.777 -5.382 1.00 0.00 C ATOM 1629 C ARG A 102 -2.458 -6.926 -5.580 1.00 0.00 C ATOM 1630 O ARG A 102 -1.861 -6.252 -6.420 1.00 0.00 O ATOM 1631 CB ARG A 102 -4.698 -7.899 -6.117 1.00 0.00 C ATOM 1632 CG ARG A 102 -4.568 -7.824 -7.630 1.00 0.00 C ATOM 1633 CD ARG A 102 -5.262 -8.995 -8.307 1.00 0.00 C ATOM 1634 NE ARG A 102 -4.507 -10.237 -8.163 1.00 0.00 N ATOM 1635 CZ ARG A 102 -5.058 -11.444 -8.231 1.00 0.00 C ATOM 1636 NH1 ARG A 102 -6.361 -11.571 -8.440 1.00 0.00 N ATOM 1637 NH2 ARG A 102 -4.304 -12.527 -8.089 1.00 0.00 N ATOM 0 H ARG A 102 -3.736 -4.960 -6.405 1.00 0.00 H new ATOM 0 HA ARG A 102 -4.181 -6.846 -4.316 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -4.312 -8.859 -5.775 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -5.754 -7.866 -5.850 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -4.998 -6.888 -7.987 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -3.513 -7.816 -7.906 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -6.256 -9.124 -7.879 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -5.397 -8.774 -9.366 1.00 0.00 H new ATOM 0 HE ARG A 102 -3.502 -10.174 -8.001 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -6.943 -10.741 -8.549 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -6.781 -12.499 -8.492 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -3.301 -12.433 -7.928 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -4.727 -13.454 -8.141 1.00 0.00 H new ATOM 1651 N PHE A 103 -1.849 -7.812 -4.799 1.00 0.00 N ATOM 1652 CA PHE A 103 -0.412 -8.048 -4.886 1.00 0.00 C ATOM 1653 C PHE A 103 -0.098 -9.099 -5.947 1.00 0.00 C ATOM 1654 O PHE A 103 -0.801 -10.099 -6.095 1.00 0.00 O ATOM 1655 CB PHE A 103 0.136 -8.497 -3.530 1.00 0.00 C ATOM 1656 CG PHE A 103 1.580 -8.142 -3.320 1.00 0.00 C ATOM 1657 CD1 PHE A 103 2.585 -9.003 -3.728 1.00 0.00 C ATOM 1658 CD2 PHE A 103 1.932 -6.946 -2.714 1.00 0.00 C ATOM 1659 CE1 PHE A 103 3.915 -8.679 -3.535 1.00 0.00 C ATOM 1660 CE2 PHE A 103 3.260 -6.616 -2.519 1.00 0.00 C ATOM 1661 CZ PHE A 103 4.253 -7.484 -2.931 1.00 0.00 C ATOM 0 H PHE A 103 -2.328 -8.378 -4.099 1.00 0.00 H new ATOM 0 HA PHE A 103 0.068 -7.112 -5.172 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -0.460 -8.044 -2.738 1.00 0.00 H new ATOM 0 HB3 PHE A 103 0.019 -9.577 -3.439 1.00 0.00 H new ATOM 0 HD1 PHE A 103 2.327 -9.938 -4.202 1.00 0.00 H new ATOM 0 HD2 PHE A 103 1.160 -6.264 -2.390 1.00 0.00 H new ATOM 0 HE1 PHE A 103 4.689 -9.360 -3.856 1.00 0.00 H new ATOM 0 HE2 PHE A 103 3.521 -5.681 -2.045 1.00 0.00 H new ATOM 0 HZ PHE A 103 5.292 -7.228 -2.781 1.00 0.00 H new ATOM 1671 N PRO A 104 0.984 -8.868 -6.705 1.00 0.00 N ATOM 1672 CA PRO A 104 1.417 -9.783 -7.766 1.00 0.00 C ATOM 1673 C PRO A 104 1.963 -11.095 -7.213 1.00 0.00 C ATOM 1674 O PRO A 104 2.372 -11.169 -6.055 1.00 0.00 O ATOM 1675 CB PRO A 104 2.524 -9.001 -8.478 1.00 0.00 C ATOM 1676 CG PRO A 104 3.045 -8.059 -7.449 1.00 0.00 C ATOM 1677 CD PRO A 104 1.869 -7.697 -6.585 1.00 0.00 C ATOM 0 HA PRO A 104 0.592 -10.071 -8.418 1.00 0.00 H new ATOM 0 HB2 PRO A 104 3.309 -9.666 -8.839 1.00 0.00 H new ATOM 0 HB3 PRO A 104 2.136 -8.466 -9.344 1.00 0.00 H new ATOM 0 HG2 PRO A 104 3.834 -8.524 -6.859 1.00 0.00 H new ATOM 0 HG3 PRO A 104 3.475 -7.172 -7.914 1.00 0.00 H new ATOM 0 HD2 PRO A 104 2.168 -7.524 -5.551 1.00 0.00 H new ATOM 0 HD3 PRO A 104 1.380 -6.787 -6.932 1.00 0.00 H new ATOM 1685 N ALA A 105 1.968 -12.128 -8.049 1.00 0.00 N ATOM 1686 CA ALA A 105 2.467 -13.436 -7.645 1.00 0.00 C ATOM 1687 C ALA A 105 3.731 -13.305 -6.803 1.00 0.00 C ATOM 1688 O ALA A 105 4.337 -14.305 -6.416 1.00 0.00 O ATOM 1689 CB ALA A 105 2.732 -14.301 -8.868 1.00 0.00 C ATOM 0 H ALA A 105 1.632 -12.084 -9.011 1.00 0.00 H new ATOM 0 HA ALA A 105 1.703 -13.916 -7.034 1.00 0.00 H new ATOM 0 HB1 ALA A 105 3.104 -15.275 -8.551 1.00 0.00 H new ATOM 0 HB2 ALA A 105 1.807 -14.431 -9.429 1.00 0.00 H new ATOM 0 HB3 ALA A 105 3.475 -13.817 -9.502 1.00 0.00 H new TER 1695 ALA A 105