USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 567 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -179:sc= 0 (180deg=-0.0027) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0163 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 CYS SG : rot -28:sc= -0.15 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= -0.143 USER MOD Single : A 17 GLN : amide:sc= -0.0251 K(o=-0.025,f=-0.74) USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 25 ASN : amide:sc= -1.28 K(o=-1.3,f=-5.9!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS : no HD1:sc= -1.18 K(o=-1.2,f=-0.59) USER MOD Single : A 37 LYS NZ :NH3+ -128:sc= 0 (180deg=-0.455) USER MOD Single : A 38 LYS NZ :NH3+ 153:sc= -1.54 (180deg=-2.97!) USER MOD Single : A 46 SER OG : rot 180:sc= -0.287 USER MOD Single : A 48 ASN : amide:sc=-0.00579 K(o=-0.0058,f=-0.53) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.132) USER MOD Single : A 53 HIS : no HD1:sc= -0.594 K(o=-0.59,f=-0.086) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -0.0853 X(o=-0.085,f=-0.18) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.0735 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 167:sc= 1.21 (180deg=1.17) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot -55:sc= 0.0774 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.003 -17.181 -5.326 1.00 0.00 N ATOM 2 CA GLY A 1 -20.633 -15.942 -5.742 1.00 0.00 C ATOM 3 C GLY A 1 -19.926 -14.719 -5.194 1.00 0.00 C ATOM 4 O GLY A 1 -19.677 -13.758 -5.923 1.00 0.00 O ATOM 0 H1 GLY A 1 -20.514 -17.986 -5.741 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.015 -17.194 -5.650 1.00 0.00 H new ATOM 0 H3 GLY A 1 -20.028 -17.252 -4.289 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -20.646 -15.893 -6.831 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -21.671 -15.937 -5.410 1.00 0.00 H new ATOM 8 N SER A 2 -19.602 -14.752 -3.905 1.00 0.00 N ATOM 9 CA SER A 2 -18.924 -13.635 -3.259 1.00 0.00 C ATOM 10 C SER A 2 -17.597 -14.082 -2.653 1.00 0.00 C ATOM 11 O SER A 2 -17.503 -15.157 -2.061 1.00 0.00 O ATOM 12 CB SER A 2 -19.815 -13.030 -2.172 1.00 0.00 C ATOM 13 OG SER A 2 -20.245 -14.021 -1.254 1.00 0.00 O ATOM 0 H SER A 2 -19.798 -15.540 -3.288 1.00 0.00 H new ATOM 0 HA SER A 2 -18.721 -12.878 -4.017 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.268 -12.251 -1.641 1.00 0.00 H new ATOM 0 HB3 SER A 2 -20.682 -12.554 -2.631 1.00 0.00 H new ATOM 0 HG SER A 2 -20.811 -13.608 -0.569 1.00 0.00 H new ATOM 19 N SER A 3 -16.573 -13.248 -2.806 1.00 0.00 N ATOM 20 CA SER A 3 -15.250 -13.558 -2.278 1.00 0.00 C ATOM 21 C SER A 3 -14.919 -12.668 -1.083 1.00 0.00 C ATOM 22 O SER A 3 -14.284 -11.625 -1.229 1.00 0.00 O ATOM 23 CB SER A 3 -14.189 -13.383 -3.367 1.00 0.00 C ATOM 24 OG SER A 3 -12.906 -13.751 -2.893 1.00 0.00 O ATOM 0 H SER A 3 -16.635 -12.353 -3.291 1.00 0.00 H new ATOM 0 HA SER A 3 -15.253 -14.596 -1.946 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.449 -13.992 -4.233 1.00 0.00 H new ATOM 0 HB3 SER A 3 -14.173 -12.345 -3.700 1.00 0.00 H new ATOM 0 HG SER A 3 -12.246 -13.632 -3.608 1.00 0.00 H new ATOM 30 N GLY A 4 -15.356 -13.090 0.100 1.00 0.00 N ATOM 31 CA GLY A 4 -15.098 -12.321 1.303 1.00 0.00 C ATOM 32 C GLY A 4 -13.629 -11.991 1.476 1.00 0.00 C ATOM 33 O GLY A 4 -12.780 -12.512 0.753 1.00 0.00 O ATOM 0 H GLY A 4 -15.884 -13.950 0.246 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -15.674 -11.396 1.270 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -15.446 -12.882 2.171 1.00 0.00 H new ATOM 37 N SER A 5 -13.328 -11.123 2.437 1.00 0.00 N ATOM 38 CA SER A 5 -11.952 -10.720 2.699 1.00 0.00 C ATOM 39 C SER A 5 -11.738 -10.453 4.186 1.00 0.00 C ATOM 40 O SER A 5 -12.669 -10.085 4.902 1.00 0.00 O ATOM 41 CB SER A 5 -11.601 -9.470 1.890 1.00 0.00 C ATOM 42 OG SER A 5 -11.895 -9.653 0.516 1.00 0.00 O ATOM 0 H SER A 5 -14.019 -10.686 3.047 1.00 0.00 H new ATOM 0 HA SER A 5 -11.297 -11.536 2.396 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.159 -8.616 2.274 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.542 -9.240 2.011 1.00 0.00 H new ATOM 0 HG SER A 5 -11.663 -8.840 0.021 1.00 0.00 H new ATOM 48 N SER A 6 -10.504 -10.642 4.644 1.00 0.00 N ATOM 49 CA SER A 6 -10.167 -10.426 6.046 1.00 0.00 C ATOM 50 C SER A 6 -9.085 -9.360 6.186 1.00 0.00 C ATOM 51 O SER A 6 -8.169 -9.493 6.997 1.00 0.00 O ATOM 52 CB SER A 6 -9.698 -11.734 6.687 1.00 0.00 C ATOM 53 OG SER A 6 -8.527 -12.220 6.054 1.00 0.00 O ATOM 0 H SER A 6 -9.721 -10.944 4.064 1.00 0.00 H new ATOM 0 HA SER A 6 -11.063 -10.079 6.561 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.502 -11.574 7.747 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.489 -12.481 6.618 1.00 0.00 H new ATOM 0 HG SER A 6 -8.246 -13.055 6.483 1.00 0.00 H new ATOM 59 N GLY A 7 -9.198 -8.302 5.389 1.00 0.00 N ATOM 60 CA GLY A 7 -8.223 -7.228 5.439 1.00 0.00 C ATOM 61 C GLY A 7 -8.601 -6.060 4.550 1.00 0.00 C ATOM 62 O GLY A 7 -9.124 -6.251 3.452 1.00 0.00 O ATOM 0 H GLY A 7 -9.947 -8.169 4.710 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.122 -6.880 6.467 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.249 -7.611 5.135 1.00 0.00 H new ATOM 66 N ARG A 8 -8.337 -4.848 5.025 1.00 0.00 N ATOM 67 CA ARG A 8 -8.655 -3.644 4.266 1.00 0.00 C ATOM 68 C ARG A 8 -7.648 -3.428 3.141 1.00 0.00 C ATOM 69 O ARG A 8 -6.527 -3.936 3.191 1.00 0.00 O ATOM 70 CB ARG A 8 -8.675 -2.424 5.189 1.00 0.00 C ATOM 71 CG ARG A 8 -9.762 -2.479 6.249 1.00 0.00 C ATOM 72 CD ARG A 8 -11.114 -2.073 5.682 1.00 0.00 C ATOM 73 NE ARG A 8 -12.217 -2.500 6.539 1.00 0.00 N ATOM 74 CZ ARG A 8 -13.496 -2.285 6.251 1.00 0.00 C ATOM 75 NH1 ARG A 8 -13.831 -1.654 5.134 1.00 0.00 N ATOM 76 NH2 ARG A 8 -14.443 -2.704 7.081 1.00 0.00 N ATOM 0 H ARG A 8 -7.904 -4.673 5.932 1.00 0.00 H new ATOM 0 HA ARG A 8 -9.643 -3.774 3.825 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -7.706 -2.334 5.679 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -8.812 -1.526 4.587 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -9.825 -3.489 6.655 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -9.500 -1.819 7.075 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -11.146 -0.990 5.562 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -11.236 -2.508 4.690 1.00 0.00 H new ATOM 0 HE ARG A 8 -11.993 -2.990 7.405 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -13.106 -1.332 4.493 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -14.814 -1.491 4.916 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -14.189 -3.191 7.940 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -15.425 -2.539 6.860 1.00 0.00 H new ATOM 90 N LEU A 9 -8.055 -2.672 2.127 1.00 0.00 N ATOM 91 CA LEU A 9 -7.188 -2.389 0.988 1.00 0.00 C ATOM 92 C LEU A 9 -6.935 -0.890 0.856 1.00 0.00 C ATOM 93 O LEU A 9 -7.616 -0.078 1.483 1.00 0.00 O ATOM 94 CB LEU A 9 -7.813 -2.928 -0.300 1.00 0.00 C ATOM 95 CG LEU A 9 -7.718 -4.439 -0.511 1.00 0.00 C ATOM 96 CD1 LEU A 9 -6.268 -4.862 -0.695 1.00 0.00 C ATOM 97 CD2 LEU A 9 -8.347 -5.182 0.659 1.00 0.00 C ATOM 0 H LEU A 9 -8.979 -2.244 2.070 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.233 -2.887 1.157 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.865 -2.645 -0.316 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -7.337 -2.433 -1.146 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.268 -4.695 -1.416 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.220 -5.941 -0.844 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -5.849 -4.356 -1.565 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -5.695 -4.592 0.192 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -8.270 -6.256 0.491 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -7.825 -4.920 1.579 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -9.397 -4.902 0.745 1.00 0.00 H new ATOM 109 N CYS A 10 -5.954 -0.532 0.036 1.00 0.00 N ATOM 110 CA CYS A 10 -5.612 0.870 -0.181 1.00 0.00 C ATOM 111 C CYS A 10 -4.737 1.031 -1.420 1.00 0.00 C ATOM 112 O CYS A 10 -4.081 0.086 -1.857 1.00 0.00 O ATOM 113 CB CYS A 10 -4.891 1.435 1.044 1.00 0.00 C ATOM 114 SG CYS A 10 -3.387 0.539 1.495 1.00 0.00 S ATOM 0 H CYS A 10 -5.381 -1.192 -0.490 1.00 0.00 H new ATOM 0 HA CYS A 10 -6.537 1.424 -0.338 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -4.636 2.478 0.853 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -5.576 1.424 1.892 1.00 0.00 H new ATOM 0 HG CYS A 10 -3.488 -0.699 1.112 1.00 0.00 H new ATOM 120 N LYS A 11 -4.734 2.235 -1.983 1.00 0.00 N ATOM 121 CA LYS A 11 -3.941 2.522 -3.172 1.00 0.00 C ATOM 122 C LYS A 11 -2.814 3.498 -2.852 1.00 0.00 C ATOM 123 O LYS A 11 -3.040 4.544 -2.244 1.00 0.00 O ATOM 124 CB LYS A 11 -4.831 3.098 -4.276 1.00 0.00 C ATOM 125 CG LYS A 11 -4.071 3.469 -5.538 1.00 0.00 C ATOM 126 CD LYS A 11 -5.014 3.875 -6.658 1.00 0.00 C ATOM 127 CE LYS A 11 -5.497 5.307 -6.487 1.00 0.00 C ATOM 128 NZ LYS A 11 -4.482 6.295 -6.947 1.00 0.00 N ATOM 0 H LYS A 11 -5.272 3.028 -1.634 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.500 1.587 -3.519 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.602 2.369 -4.527 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.341 3.983 -3.895 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -3.386 4.289 -5.323 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -3.465 2.623 -5.861 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -4.507 3.773 -7.617 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -5.870 3.201 -6.677 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -6.421 5.448 -7.048 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -5.731 5.488 -5.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -4.850 7.259 -6.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -3.609 6.178 -6.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -4.278 6.139 -7.955 1.00 0.00 H new ATOM 142 N ALA A 12 -1.600 3.149 -3.266 1.00 0.00 N ATOM 143 CA ALA A 12 -0.438 3.996 -3.026 1.00 0.00 C ATOM 144 C ALA A 12 -0.462 5.227 -3.925 1.00 0.00 C ATOM 145 O ALA A 12 0.017 5.190 -5.059 1.00 0.00 O ATOM 146 CB ALA A 12 0.844 3.206 -3.243 1.00 0.00 C ATOM 0 H ALA A 12 -1.396 2.286 -3.769 1.00 0.00 H new ATOM 0 HA ALA A 12 -0.472 4.334 -1.990 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.704 3.851 -3.060 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.871 2.361 -2.555 1.00 0.00 H new ATOM 0 HB3 ALA A 12 0.876 2.840 -4.269 1.00 0.00 H new ATOM 152 N LEU A 13 -1.022 6.317 -3.412 1.00 0.00 N ATOM 153 CA LEU A 13 -1.109 7.561 -4.169 1.00 0.00 C ATOM 154 C LEU A 13 0.271 8.012 -4.636 1.00 0.00 C ATOM 155 O LEU A 13 0.407 8.650 -5.680 1.00 0.00 O ATOM 156 CB LEU A 13 -1.755 8.656 -3.317 1.00 0.00 C ATOM 157 CG LEU A 13 -3.108 8.311 -2.694 1.00 0.00 C ATOM 158 CD1 LEU A 13 -3.599 9.453 -1.818 1.00 0.00 C ATOM 159 CD2 LEU A 13 -4.128 7.990 -3.776 1.00 0.00 C ATOM 0 H LEU A 13 -1.423 6.365 -2.475 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.728 7.380 -5.048 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.065 8.919 -2.515 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.879 9.545 -3.936 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.983 7.428 -2.068 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.563 9.189 -1.383 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.879 9.635 -1.020 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.707 10.354 -2.422 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.085 7.747 -3.314 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.250 8.854 -4.429 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.781 7.139 -4.362 1.00 0.00 H new ATOM 171 N TYR A 14 1.293 7.675 -3.857 1.00 0.00 N ATOM 172 CA TYR A 14 2.663 8.045 -4.190 1.00 0.00 C ATOM 173 C TYR A 14 3.625 6.899 -3.891 1.00 0.00 C ATOM 174 O TYR A 14 3.383 6.088 -2.997 1.00 0.00 O ATOM 175 CB TYR A 14 3.080 9.293 -3.410 1.00 0.00 C ATOM 176 CG TYR A 14 1.972 10.309 -3.255 1.00 0.00 C ATOM 177 CD1 TYR A 14 0.935 10.104 -2.353 1.00 0.00 C ATOM 178 CD2 TYR A 14 1.962 11.476 -4.010 1.00 0.00 C ATOM 179 CE1 TYR A 14 -0.080 11.030 -2.209 1.00 0.00 C ATOM 180 CE2 TYR A 14 0.952 12.408 -3.872 1.00 0.00 C ATOM 181 CZ TYR A 14 -0.068 12.180 -2.970 1.00 0.00 C ATOM 182 OH TYR A 14 -1.076 13.105 -2.829 1.00 0.00 O ATOM 0 H TYR A 14 1.198 7.146 -2.990 1.00 0.00 H new ATOM 0 HA TYR A 14 2.705 8.261 -5.258 1.00 0.00 H new ATOM 0 HB2 TYR A 14 3.428 8.994 -2.421 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.924 9.762 -3.916 1.00 0.00 H new ATOM 0 HD1 TYR A 14 0.922 9.205 -1.754 1.00 0.00 H new ATOM 0 HD2 TYR A 14 2.758 11.657 -4.717 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -0.879 10.854 -1.504 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.960 13.310 -4.466 1.00 0.00 H new ATOM 0 HH TYR A 14 -0.917 13.857 -3.437 1.00 0.00 H new ATOM 192 N SER A 15 4.717 6.840 -4.645 1.00 0.00 N ATOM 193 CA SER A 15 5.716 5.793 -4.465 1.00 0.00 C ATOM 194 C SER A 15 6.591 6.081 -3.249 1.00 0.00 C ATOM 195 O SER A 15 7.115 7.184 -3.094 1.00 0.00 O ATOM 196 CB SER A 15 6.586 5.668 -5.716 1.00 0.00 C ATOM 197 OG SER A 15 5.790 5.506 -6.878 1.00 0.00 O ATOM 0 H SER A 15 4.933 7.505 -5.387 1.00 0.00 H new ATOM 0 HA SER A 15 5.193 4.851 -4.300 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.209 6.556 -5.819 1.00 0.00 H new ATOM 0 HB3 SER A 15 7.259 4.817 -5.611 1.00 0.00 H new ATOM 0 HG SER A 15 6.370 5.430 -7.664 1.00 0.00 H new ATOM 203 N PHE A 16 6.746 5.080 -2.389 1.00 0.00 N ATOM 204 CA PHE A 16 7.557 5.224 -1.186 1.00 0.00 C ATOM 205 C PHE A 16 8.777 4.308 -1.238 1.00 0.00 C ATOM 206 O PHE A 16 8.656 3.113 -1.505 1.00 0.00 O ATOM 207 CB PHE A 16 6.723 4.910 0.058 1.00 0.00 C ATOM 208 CG PHE A 16 7.422 5.236 1.347 1.00 0.00 C ATOM 209 CD1 PHE A 16 7.728 6.548 1.672 1.00 0.00 C ATOM 210 CD2 PHE A 16 7.775 4.231 2.233 1.00 0.00 C ATOM 211 CE1 PHE A 16 8.371 6.852 2.857 1.00 0.00 C ATOM 212 CE2 PHE A 16 8.417 4.528 3.419 1.00 0.00 C ATOM 213 CZ PHE A 16 8.717 5.840 3.732 1.00 0.00 C ATOM 0 H PHE A 16 6.320 4.160 -2.503 1.00 0.00 H new ATOM 0 HA PHE A 16 7.902 6.257 -1.133 1.00 0.00 H new ATOM 0 HB2 PHE A 16 5.788 5.469 0.009 1.00 0.00 H new ATOM 0 HB3 PHE A 16 6.462 3.852 0.053 1.00 0.00 H new ATOM 0 HD1 PHE A 16 7.461 7.343 0.991 1.00 0.00 H new ATOM 0 HD2 PHE A 16 7.545 3.203 1.993 1.00 0.00 H new ATOM 0 HE1 PHE A 16 8.603 7.879 3.099 1.00 0.00 H new ATOM 0 HE2 PHE A 16 8.685 3.735 4.102 1.00 0.00 H new ATOM 0 HZ PHE A 16 9.221 6.074 4.658 1.00 0.00 H new ATOM 223 N GLN A 17 9.949 4.879 -0.983 1.00 0.00 N ATOM 224 CA GLN A 17 11.191 4.114 -1.003 1.00 0.00 C ATOM 225 C GLN A 17 11.629 3.751 0.412 1.00 0.00 C ATOM 226 O GLN A 17 12.307 4.529 1.082 1.00 0.00 O ATOM 227 CB GLN A 17 12.294 4.911 -1.702 1.00 0.00 C ATOM 228 CG GLN A 17 13.648 4.221 -1.682 1.00 0.00 C ATOM 229 CD GLN A 17 14.784 5.153 -2.057 1.00 0.00 C ATOM 230 OE1 GLN A 17 14.798 6.321 -1.668 1.00 0.00 O ATOM 231 NE2 GLN A 17 15.744 4.640 -2.818 1.00 0.00 N ATOM 0 H GLN A 17 10.065 5.868 -0.760 1.00 0.00 H new ATOM 0 HA GLN A 17 11.012 3.192 -1.556 1.00 0.00 H new ATOM 0 HB2 GLN A 17 12.002 5.090 -2.737 1.00 0.00 H new ATOM 0 HB3 GLN A 17 12.385 5.886 -1.224 1.00 0.00 H new ATOM 0 HG2 GLN A 17 13.830 3.815 -0.687 1.00 0.00 H new ATOM 0 HG3 GLN A 17 13.632 3.378 -2.372 1.00 0.00 H new ATOM 0 HE21 GLN A 17 15.692 3.666 -3.118 1.00 0.00 H new ATOM 0 HE22 GLN A 17 16.533 5.220 -3.103 1.00 0.00 H new ATOM 240 N ALA A 18 11.235 2.563 0.861 1.00 0.00 N ATOM 241 CA ALA A 18 11.588 2.096 2.196 1.00 0.00 C ATOM 242 C ALA A 18 13.102 2.029 2.371 1.00 0.00 C ATOM 243 O ALA A 18 13.791 1.325 1.633 1.00 0.00 O ATOM 244 CB ALA A 18 10.964 0.734 2.460 1.00 0.00 C ATOM 0 H ALA A 18 10.672 1.907 0.320 1.00 0.00 H new ATOM 0 HA ALA A 18 11.196 2.810 2.920 1.00 0.00 H new ATOM 0 HB1 ALA A 18 11.236 0.397 3.460 1.00 0.00 H new ATOM 0 HB2 ALA A 18 9.879 0.810 2.385 1.00 0.00 H new ATOM 0 HB3 ALA A 18 11.329 0.018 1.724 1.00 0.00 H new ATOM 250 N ARG A 19 13.612 2.766 3.352 1.00 0.00 N ATOM 251 CA ARG A 19 15.044 2.791 3.623 1.00 0.00 C ATOM 252 C ARG A 19 15.548 1.405 4.015 1.00 0.00 C ATOM 253 O ARG A 19 16.648 1.004 3.634 1.00 0.00 O ATOM 254 CB ARG A 19 15.357 3.793 4.736 1.00 0.00 C ATOM 255 CG ARG A 19 16.829 3.846 5.112 1.00 0.00 C ATOM 256 CD ARG A 19 17.580 4.871 4.277 1.00 0.00 C ATOM 257 NE ARG A 19 17.915 4.356 2.951 1.00 0.00 N ATOM 258 CZ ARG A 19 18.343 5.121 1.953 1.00 0.00 C ATOM 259 NH1 ARG A 19 18.487 6.427 2.129 1.00 0.00 N ATOM 260 NH2 ARG A 19 18.628 4.579 0.776 1.00 0.00 N ATOM 0 H ARG A 19 13.055 3.354 3.972 1.00 0.00 H new ATOM 0 HA ARG A 19 15.555 3.100 2.711 1.00 0.00 H new ATOM 0 HB2 ARG A 19 15.035 4.786 4.421 1.00 0.00 H new ATOM 0 HB3 ARG A 19 14.774 3.535 5.620 1.00 0.00 H new ATOM 0 HG2 ARG A 19 16.927 4.094 6.169 1.00 0.00 H new ATOM 0 HG3 ARG A 19 17.277 2.862 4.972 1.00 0.00 H new ATOM 0 HD2 ARG A 19 16.973 5.770 4.174 1.00 0.00 H new ATOM 0 HD3 ARG A 19 18.494 5.161 4.795 1.00 0.00 H new ATOM 0 HE ARG A 19 17.815 3.355 2.783 1.00 0.00 H new ATOM 0 HH11 ARG A 19 18.269 6.847 3.033 1.00 0.00 H new ATOM 0 HH12 ARG A 19 18.816 7.012 1.361 1.00 0.00 H new ATOM 0 HH21 ARG A 19 18.518 3.574 0.637 1.00 0.00 H new ATOM 0 HH22 ARG A 19 18.957 5.167 0.010 1.00 0.00 H new ATOM 274 N GLN A 20 14.737 0.681 4.779 1.00 0.00 N ATOM 275 CA GLN A 20 15.102 -0.659 5.223 1.00 0.00 C ATOM 276 C GLN A 20 13.866 -1.542 5.362 1.00 0.00 C ATOM 277 O GLN A 20 12.739 -1.085 5.168 1.00 0.00 O ATOM 278 CB GLN A 20 15.848 -0.592 6.557 1.00 0.00 C ATOM 279 CG GLN A 20 17.118 0.241 6.502 1.00 0.00 C ATOM 280 CD GLN A 20 17.994 0.050 7.724 1.00 0.00 C ATOM 281 OE1 GLN A 20 17.522 -0.366 8.782 1.00 0.00 O ATOM 282 NE2 GLN A 20 19.279 0.355 7.585 1.00 0.00 N ATOM 0 H GLN A 20 13.824 0.999 5.103 1.00 0.00 H new ATOM 0 HA GLN A 20 15.757 -1.098 4.470 1.00 0.00 H new ATOM 0 HB2 GLN A 20 15.184 -0.177 7.315 1.00 0.00 H new ATOM 0 HB3 GLN A 20 16.100 -1.604 6.874 1.00 0.00 H new ATOM 0 HG2 GLN A 20 17.684 -0.024 5.609 1.00 0.00 H new ATOM 0 HG3 GLN A 20 16.853 1.294 6.410 1.00 0.00 H new ATOM 0 HE21 GLN A 20 19.628 0.697 6.690 1.00 0.00 H new ATOM 0 HE22 GLN A 20 19.917 0.247 8.374 1.00 0.00 H new ATOM 291 N ASP A 21 14.084 -2.808 5.700 1.00 0.00 N ATOM 292 CA ASP A 21 12.988 -3.755 5.866 1.00 0.00 C ATOM 293 C ASP A 21 11.896 -3.172 6.758 1.00 0.00 C ATOM 294 O ASP A 21 10.706 -3.359 6.503 1.00 0.00 O ATOM 295 CB ASP A 21 13.504 -5.066 6.460 1.00 0.00 C ATOM 296 CG ASP A 21 12.510 -6.201 6.309 1.00 0.00 C ATOM 297 OD1 ASP A 21 11.307 -5.917 6.134 1.00 0.00 O ATOM 298 OD2 ASP A 21 12.935 -7.374 6.367 1.00 0.00 O ATOM 0 H ASP A 21 15.010 -3.202 5.864 1.00 0.00 H new ATOM 0 HA ASP A 21 12.561 -3.954 4.883 1.00 0.00 H new ATOM 0 HB2 ASP A 21 14.440 -5.339 5.972 1.00 0.00 H new ATOM 0 HB3 ASP A 21 13.726 -4.920 7.517 1.00 0.00 H new ATOM 303 N ASP A 22 12.310 -2.466 7.804 1.00 0.00 N ATOM 304 CA ASP A 22 11.367 -1.855 8.735 1.00 0.00 C ATOM 305 C ASP A 22 10.187 -1.241 7.989 1.00 0.00 C ATOM 306 O ASP A 22 9.035 -1.406 8.387 1.00 0.00 O ATOM 307 CB ASP A 22 12.068 -0.787 9.575 1.00 0.00 C ATOM 308 CG ASP A 22 11.167 -0.214 10.652 1.00 0.00 C ATOM 309 OD1 ASP A 22 10.105 0.341 10.303 1.00 0.00 O ATOM 310 OD2 ASP A 22 11.525 -0.321 11.844 1.00 0.00 O ATOM 0 H ASP A 22 13.291 -2.302 8.029 1.00 0.00 H new ATOM 0 HA ASP A 22 10.989 -2.635 9.396 1.00 0.00 H new ATOM 0 HB2 ASP A 22 12.955 -1.218 10.039 1.00 0.00 H new ATOM 0 HB3 ASP A 22 12.408 0.018 8.924 1.00 0.00 H new ATOM 315 N GLU A 23 10.484 -0.531 6.905 1.00 0.00 N ATOM 316 CA GLU A 23 9.447 0.110 6.104 1.00 0.00 C ATOM 317 C GLU A 23 9.075 -0.755 4.903 1.00 0.00 C ATOM 318 O GLU A 23 9.616 -1.846 4.718 1.00 0.00 O ATOM 319 CB GLU A 23 9.916 1.487 5.630 1.00 0.00 C ATOM 320 CG GLU A 23 10.165 2.469 6.762 1.00 0.00 C ATOM 321 CD GLU A 23 10.490 3.864 6.264 1.00 0.00 C ATOM 322 OE1 GLU A 23 11.093 3.979 5.176 1.00 0.00 O ATOM 323 OE2 GLU A 23 10.141 4.840 6.961 1.00 0.00 O ATOM 0 H GLU A 23 11.433 -0.385 6.561 1.00 0.00 H new ATOM 0 HA GLU A 23 8.563 0.231 6.730 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.834 1.370 5.053 1.00 0.00 H new ATOM 0 HB3 GLU A 23 9.167 1.904 4.957 1.00 0.00 H new ATOM 0 HG2 GLU A 23 9.283 2.512 7.401 1.00 0.00 H new ATOM 0 HG3 GLU A 23 10.988 2.106 7.378 1.00 0.00 H new ATOM 330 N LEU A 24 8.148 -0.260 4.091 1.00 0.00 N ATOM 331 CA LEU A 24 7.702 -0.986 2.907 1.00 0.00 C ATOM 332 C LEU A 24 7.694 -0.078 1.681 1.00 0.00 C ATOM 333 O LEU A 24 7.191 1.044 1.732 1.00 0.00 O ATOM 334 CB LEU A 24 6.304 -1.565 3.136 1.00 0.00 C ATOM 335 CG LEU A 24 5.983 -2.860 2.388 1.00 0.00 C ATOM 336 CD1 LEU A 24 4.795 -3.563 3.026 1.00 0.00 C ATOM 337 CD2 LEU A 24 5.710 -2.573 0.919 1.00 0.00 C ATOM 0 H LEU A 24 7.690 0.641 4.231 1.00 0.00 H new ATOM 0 HA LEU A 24 8.402 -1.802 2.727 1.00 0.00 H new ATOM 0 HB2 LEU A 24 6.177 -1.745 4.204 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.569 -0.812 2.850 1.00 0.00 H new ATOM 0 HG LEU A 24 6.848 -3.520 2.454 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.581 -4.482 2.481 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.028 -3.802 4.064 1.00 0.00 H new ATOM 0 HD13 LEU A 24 3.924 -2.909 2.991 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.483 -3.506 0.402 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.861 -1.895 0.832 1.00 0.00 H new ATOM 0 HD23 LEU A 24 6.590 -2.113 0.469 1.00 0.00 H new ATOM 349 N ASN A 25 8.252 -0.572 0.581 1.00 0.00 N ATOM 350 CA ASN A 25 8.308 0.194 -0.658 1.00 0.00 C ATOM 351 C ASN A 25 6.949 0.205 -1.353 1.00 0.00 C ATOM 352 O ASN A 25 6.226 -0.792 -1.340 1.00 0.00 O ATOM 353 CB ASN A 25 9.368 -0.388 -1.595 1.00 0.00 C ATOM 354 CG ASN A 25 9.647 0.512 -2.783 1.00 0.00 C ATOM 355 OD1 ASN A 25 8.727 0.943 -3.479 1.00 0.00 O ATOM 356 ND2 ASN A 25 10.921 0.800 -3.021 1.00 0.00 N ATOM 0 H ASN A 25 8.672 -1.500 0.522 1.00 0.00 H new ATOM 0 HA ASN A 25 8.577 1.220 -0.409 1.00 0.00 H new ATOM 0 HB2 ASN A 25 10.292 -0.548 -1.039 1.00 0.00 H new ATOM 0 HB3 ASN A 25 9.038 -1.364 -1.952 1.00 0.00 H new ATOM 0 HD21 ASN A 25 11.170 1.401 -3.807 1.00 0.00 H new ATOM 0 HD22 ASN A 25 11.651 0.421 -2.418 1.00 0.00 H new ATOM 363 N LEU A 26 6.610 1.337 -1.959 1.00 0.00 N ATOM 364 CA LEU A 26 5.339 1.478 -2.660 1.00 0.00 C ATOM 365 C LEU A 26 5.529 2.195 -3.993 1.00 0.00 C ATOM 366 O LEU A 26 6.496 2.932 -4.180 1.00 0.00 O ATOM 367 CB LEU A 26 4.338 2.245 -1.794 1.00 0.00 C ATOM 368 CG LEU A 26 4.209 1.777 -0.344 1.00 0.00 C ATOM 369 CD1 LEU A 26 3.623 2.881 0.523 1.00 0.00 C ATOM 370 CD2 LEU A 26 3.353 0.521 -0.263 1.00 0.00 C ATOM 0 H LEU A 26 7.197 2.171 -1.979 1.00 0.00 H new ATOM 0 HA LEU A 26 4.949 0.480 -2.857 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.622 3.297 -1.791 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.357 2.181 -2.264 1.00 0.00 H new ATOM 0 HG LEU A 26 5.204 1.539 0.031 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.539 2.530 1.551 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.275 3.754 0.490 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.635 3.151 0.150 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.272 0.202 0.776 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.359 0.732 -0.656 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.814 -0.272 -0.851 1.00 0.00 H new ATOM 382 N GLU A 27 4.597 1.974 -4.916 1.00 0.00 N ATOM 383 CA GLU A 27 4.662 2.600 -6.231 1.00 0.00 C ATOM 384 C GLU A 27 3.324 3.233 -6.599 1.00 0.00 C ATOM 385 O GLU A 27 2.264 2.743 -6.210 1.00 0.00 O ATOM 386 CB GLU A 27 5.062 1.572 -7.291 1.00 0.00 C ATOM 387 CG GLU A 27 4.777 2.022 -8.714 1.00 0.00 C ATOM 388 CD GLU A 27 5.680 1.351 -9.731 1.00 0.00 C ATOM 389 OE1 GLU A 27 6.092 0.197 -9.487 1.00 0.00 O ATOM 390 OE2 GLU A 27 5.974 1.978 -10.769 1.00 0.00 O ATOM 0 H GLU A 27 3.789 1.367 -4.777 1.00 0.00 H new ATOM 0 HA GLU A 27 5.417 3.385 -6.194 1.00 0.00 H new ATOM 0 HB2 GLU A 27 6.126 1.357 -7.193 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.530 0.640 -7.100 1.00 0.00 H new ATOM 0 HG2 GLU A 27 3.737 1.805 -8.958 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.901 3.103 -8.781 1.00 0.00 H new ATOM 397 N LYS A 28 3.380 4.326 -7.353 1.00 0.00 N ATOM 398 CA LYS A 28 2.173 5.027 -7.775 1.00 0.00 C ATOM 399 C LYS A 28 1.191 4.068 -8.439 1.00 0.00 C ATOM 400 O LYS A 28 1.454 3.545 -9.521 1.00 0.00 O ATOM 401 CB LYS A 28 2.529 6.160 -8.742 1.00 0.00 C ATOM 402 CG LYS A 28 1.332 6.986 -9.177 1.00 0.00 C ATOM 403 CD LYS A 28 1.739 8.400 -9.558 1.00 0.00 C ATOM 404 CE LYS A 28 2.229 9.184 -8.350 1.00 0.00 C ATOM 405 NZ LYS A 28 2.291 10.646 -8.626 1.00 0.00 N ATOM 0 H LYS A 28 4.249 4.745 -7.684 1.00 0.00 H new ATOM 0 HA LYS A 28 1.699 5.449 -6.889 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.259 6.816 -8.267 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.008 5.736 -9.625 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.846 6.505 -10.026 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.601 7.022 -8.369 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.525 8.363 -10.312 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.890 8.915 -10.008 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.565 9.002 -7.505 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.218 8.827 -8.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.629 11.145 -7.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 2.944 10.823 -9.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 1.343 10.993 -8.876 1.00 0.00 H new ATOM 419 N GLY A 29 0.056 3.843 -7.784 1.00 0.00 N ATOM 420 CA GLY A 29 -0.949 2.948 -8.327 1.00 0.00 C ATOM 421 C GLY A 29 -0.730 1.508 -7.908 1.00 0.00 C ATOM 422 O GLY A 29 -0.962 0.585 -8.690 1.00 0.00 O ATOM 0 H GLY A 29 -0.185 4.265 -6.887 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.936 3.273 -7.998 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.939 3.012 -9.415 1.00 0.00 H new ATOM 426 N ASP A 30 -0.281 1.314 -6.674 1.00 0.00 N ATOM 427 CA ASP A 30 -0.029 -0.024 -6.152 1.00 0.00 C ATOM 428 C ASP A 30 -0.992 -0.354 -5.016 1.00 0.00 C ATOM 429 O ASP A 30 -1.101 0.395 -4.045 1.00 0.00 O ATOM 430 CB ASP A 30 1.416 -0.142 -5.664 1.00 0.00 C ATOM 431 CG ASP A 30 2.384 -0.450 -6.789 1.00 0.00 C ATOM 432 OD1 ASP A 30 2.210 0.110 -7.892 1.00 0.00 O ATOM 433 OD2 ASP A 30 3.315 -1.253 -6.568 1.00 0.00 O ATOM 0 H ASP A 30 -0.084 2.067 -6.015 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.190 -0.738 -6.960 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.710 0.789 -5.180 1.00 0.00 H new ATOM 0 HB3 ASP A 30 1.479 -0.926 -4.910 1.00 0.00 H new ATOM 438 N ILE A 31 -1.687 -1.479 -5.144 1.00 0.00 N ATOM 439 CA ILE A 31 -2.640 -1.908 -4.128 1.00 0.00 C ATOM 440 C ILE A 31 -1.947 -2.696 -3.022 1.00 0.00 C ATOM 441 O ILE A 31 -1.324 -3.727 -3.276 1.00 0.00 O ATOM 442 CB ILE A 31 -3.759 -2.774 -4.736 1.00 0.00 C ATOM 443 CG1 ILE A 31 -4.511 -1.991 -5.814 1.00 0.00 C ATOM 444 CG2 ILE A 31 -4.716 -3.242 -3.649 1.00 0.00 C ATOM 445 CD1 ILE A 31 -4.959 -0.619 -5.363 1.00 0.00 C ATOM 0 H ILE A 31 -1.608 -2.110 -5.941 1.00 0.00 H new ATOM 0 HA ILE A 31 -3.080 -1.004 -3.706 1.00 0.00 H new ATOM 0 HB ILE A 31 -3.308 -3.652 -5.199 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.869 -1.885 -6.689 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -5.384 -2.565 -6.126 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -5.501 -3.853 -4.094 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -4.170 -3.832 -2.913 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -5.163 -2.376 -3.160 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -5.485 -0.122 -6.178 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -5.627 -0.717 -4.507 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -4.089 -0.027 -5.078 1.00 0.00 H new ATOM 457 N VAL A 32 -2.061 -2.204 -1.792 1.00 0.00 N ATOM 458 CA VAL A 32 -1.447 -2.863 -0.645 1.00 0.00 C ATOM 459 C VAL A 32 -2.505 -3.453 0.281 1.00 0.00 C ATOM 460 O VAL A 32 -3.568 -2.862 0.481 1.00 0.00 O ATOM 461 CB VAL A 32 -0.564 -1.889 0.157 1.00 0.00 C ATOM 462 CG1 VAL A 32 0.192 -2.629 1.249 1.00 0.00 C ATOM 463 CG2 VAL A 32 0.397 -1.158 -0.768 1.00 0.00 C ATOM 0 H VAL A 32 -2.573 -1.352 -1.564 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.824 -3.666 -1.038 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.208 -1.149 0.633 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.810 -1.924 1.805 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.518 -3.102 1.927 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.827 -3.392 0.799 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.013 -0.474 -0.185 1.00 0.00 H new ATOM 0 HG22 VAL A 32 1.037 -1.881 -1.274 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.169 -0.594 -1.509 1.00 0.00 H new ATOM 473 N ILE A 33 -2.208 -4.619 0.843 1.00 0.00 N ATOM 474 CA ILE A 33 -3.134 -5.287 1.750 1.00 0.00 C ATOM 475 C ILE A 33 -2.937 -4.811 3.185 1.00 0.00 C ATOM 476 O ILE A 33 -1.945 -5.149 3.831 1.00 0.00 O ATOM 477 CB ILE A 33 -2.964 -6.817 1.700 1.00 0.00 C ATOM 478 CG1 ILE A 33 -3.109 -7.322 0.263 1.00 0.00 C ATOM 479 CG2 ILE A 33 -3.980 -7.492 2.610 1.00 0.00 C ATOM 480 CD1 ILE A 33 -2.336 -8.593 -0.011 1.00 0.00 C ATOM 0 H ILE A 33 -1.334 -5.121 0.687 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.141 -5.030 1.420 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.964 -7.069 2.054 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -4.164 -7.495 0.052 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.770 -6.545 -0.423 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.848 -8.573 2.564 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.833 -7.151 3.635 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -4.988 -7.236 2.283 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.485 -8.893 -1.048 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.275 -8.419 0.168 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.691 -9.384 0.650 1.00 0.00 H new ATOM 492 N ILE A 34 -3.890 -4.027 3.678 1.00 0.00 N ATOM 493 CA ILE A 34 -3.823 -3.508 5.038 1.00 0.00 C ATOM 494 C ILE A 34 -3.897 -4.635 6.062 1.00 0.00 C ATOM 495 O ILE A 34 -4.920 -5.310 6.186 1.00 0.00 O ATOM 496 CB ILE A 34 -4.958 -2.504 5.314 1.00 0.00 C ATOM 497 CG1 ILE A 34 -4.881 -1.331 4.334 1.00 0.00 C ATOM 498 CG2 ILE A 34 -4.889 -2.007 6.750 1.00 0.00 C ATOM 499 CD1 ILE A 34 -6.191 -0.592 4.172 1.00 0.00 C ATOM 0 H ILE A 34 -4.717 -3.738 3.156 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.865 -2.997 5.133 1.00 0.00 H new ATOM 0 HB ILE A 34 -5.913 -3.010 5.171 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.118 -0.631 4.676 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.559 -1.702 3.361 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.698 -1.298 6.929 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.989 -2.851 7.432 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.931 -1.515 6.919 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.062 0.226 3.463 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -6.952 -1.278 3.800 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.504 -0.191 5.136 1.00 0.00 H new ATOM 511 N HIS A 35 -2.806 -4.834 6.795 1.00 0.00 N ATOM 512 CA HIS A 35 -2.747 -5.879 7.811 1.00 0.00 C ATOM 513 C HIS A 35 -2.999 -5.301 9.201 1.00 0.00 C ATOM 514 O HIS A 35 -3.737 -5.878 9.998 1.00 0.00 O ATOM 515 CB HIS A 35 -1.388 -6.578 7.776 1.00 0.00 C ATOM 516 CG HIS A 35 -1.307 -7.678 6.763 1.00 0.00 C ATOM 517 ND1 HIS A 35 -1.562 -9.000 7.064 1.00 0.00 N ATOM 518 CD2 HIS A 35 -0.999 -7.647 5.445 1.00 0.00 C ATOM 519 CE1 HIS A 35 -1.412 -9.734 5.976 1.00 0.00 C ATOM 520 NE2 HIS A 35 -1.072 -8.937 4.979 1.00 0.00 N ATOM 0 H HIS A 35 -1.951 -4.285 6.704 1.00 0.00 H new ATOM 0 HA HIS A 35 -3.528 -6.608 7.593 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -0.615 -5.840 7.562 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -1.174 -6.988 8.763 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -0.743 -6.771 4.867 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -1.545 -10.804 5.912 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -0.893 -9.232 4.019 1.00 0.00 H new ATOM 529 N GLU A 36 -2.380 -4.158 9.482 1.00 0.00 N ATOM 530 CA GLU A 36 -2.536 -3.504 10.776 1.00 0.00 C ATOM 531 C GLU A 36 -2.249 -2.009 10.668 1.00 0.00 C ATOM 532 O GLU A 36 -1.272 -1.596 10.044 1.00 0.00 O ATOM 533 CB GLU A 36 -1.604 -4.140 11.810 1.00 0.00 C ATOM 534 CG GLU A 36 -2.158 -5.414 12.425 1.00 0.00 C ATOM 535 CD GLU A 36 -3.513 -5.209 13.072 1.00 0.00 C ATOM 536 OE1 GLU A 36 -4.529 -5.243 12.347 1.00 0.00 O ATOM 537 OE2 GLU A 36 -3.558 -5.015 14.305 1.00 0.00 O ATOM 0 H GLU A 36 -1.767 -3.667 8.832 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.569 -3.636 11.099 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -0.647 -4.361 11.337 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.409 -3.418 12.603 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -2.240 -6.179 11.653 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -1.456 -5.788 13.171 1.00 0.00 H new ATOM 544 N LYS A 37 -3.109 -1.202 11.280 1.00 0.00 N ATOM 545 CA LYS A 37 -2.950 0.247 11.255 1.00 0.00 C ATOM 546 C LYS A 37 -2.988 0.823 12.666 1.00 0.00 C ATOM 547 O LYS A 37 -3.926 1.530 13.035 1.00 0.00 O ATOM 548 CB LYS A 37 -4.048 0.886 10.402 1.00 0.00 C ATOM 549 CG LYS A 37 -4.209 0.243 9.035 1.00 0.00 C ATOM 550 CD LYS A 37 -5.195 1.011 8.170 1.00 0.00 C ATOM 551 CE LYS A 37 -6.615 0.497 8.353 1.00 0.00 C ATOM 552 NZ LYS A 37 -7.326 1.210 9.449 1.00 0.00 N ATOM 0 H LYS A 37 -3.924 -1.527 11.800 1.00 0.00 H new ATOM 0 HA LYS A 37 -1.979 0.473 10.816 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -4.995 0.823 10.938 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -3.825 1.945 10.272 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.241 0.201 8.535 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.551 -0.785 9.153 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -5.155 2.070 8.424 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -4.907 0.923 7.122 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -7.168 0.619 7.422 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -6.589 -0.571 8.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.728 0.516 10.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -6.657 1.824 9.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -8.091 1.789 9.048 1.00 0.00 H new ATOM 566 N LYS A 38 -1.961 0.519 13.452 1.00 0.00 N ATOM 567 CA LYS A 38 -1.874 1.008 14.823 1.00 0.00 C ATOM 568 C LYS A 38 -1.162 2.356 14.876 1.00 0.00 C ATOM 569 O LYS A 38 -1.759 3.370 15.235 1.00 0.00 O ATOM 570 CB LYS A 38 -1.138 -0.005 15.703 1.00 0.00 C ATOM 571 CG LYS A 38 -1.863 -1.332 15.839 1.00 0.00 C ATOM 572 CD LYS A 38 -1.427 -2.318 14.769 1.00 0.00 C ATOM 573 CE LYS A 38 -0.245 -3.157 15.230 1.00 0.00 C ATOM 574 NZ LYS A 38 0.455 -3.806 14.087 1.00 0.00 N ATOM 0 H LYS A 38 -1.176 -0.065 13.163 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.888 1.138 15.200 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.147 -0.183 15.286 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -0.994 0.424 16.695 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.669 -1.754 16.825 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -2.938 -1.169 15.768 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -2.261 -2.972 14.514 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -1.158 -1.776 13.862 1.00 0.00 H new ATOM 0 HE2 LYS A 38 0.457 -2.526 15.775 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -0.592 -3.922 15.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 1.451 -3.969 14.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -0.001 -4.715 13.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 0.405 -3.187 13.253 1.00 0.00 H new ATOM 588 N GLU A 39 0.117 2.359 14.513 1.00 0.00 N ATOM 589 CA GLU A 39 0.910 3.583 14.519 1.00 0.00 C ATOM 590 C GLU A 39 0.113 4.749 13.941 1.00 0.00 C ATOM 591 O GLU A 39 -0.843 4.550 13.192 1.00 0.00 O ATOM 592 CB GLU A 39 2.200 3.386 13.720 1.00 0.00 C ATOM 593 CG GLU A 39 3.230 4.479 13.947 1.00 0.00 C ATOM 594 CD GLU A 39 3.867 4.404 15.321 1.00 0.00 C ATOM 595 OE1 GLU A 39 3.251 3.810 16.230 1.00 0.00 O ATOM 596 OE2 GLU A 39 4.984 4.939 15.486 1.00 0.00 O ATOM 0 H GLU A 39 0.626 1.528 14.211 1.00 0.00 H new ATOM 0 HA GLU A 39 1.165 3.816 15.553 1.00 0.00 H new ATOM 0 HB2 GLU A 39 2.639 2.424 13.986 1.00 0.00 H new ATOM 0 HB3 GLU A 39 1.957 3.343 12.658 1.00 0.00 H new ATOM 0 HG2 GLU A 39 4.007 4.405 13.186 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.755 5.452 13.824 1.00 0.00 H new ATOM 603 N GLU A 40 0.516 5.966 14.294 1.00 0.00 N ATOM 604 CA GLU A 40 -0.161 7.164 13.812 1.00 0.00 C ATOM 605 C GLU A 40 0.324 7.537 12.414 1.00 0.00 C ATOM 606 O GLU A 40 1.347 8.201 12.256 1.00 0.00 O ATOM 607 CB GLU A 40 0.073 8.331 14.773 1.00 0.00 C ATOM 608 CG GLU A 40 0.210 7.905 16.225 1.00 0.00 C ATOM 609 CD GLU A 40 1.646 7.608 16.612 1.00 0.00 C ATOM 610 OE1 GLU A 40 2.561 8.080 15.906 1.00 0.00 O ATOM 611 OE2 GLU A 40 1.853 6.903 17.622 1.00 0.00 O ATOM 0 H GLU A 40 1.307 6.148 14.911 1.00 0.00 H new ATOM 0 HA GLU A 40 -1.229 6.952 13.763 1.00 0.00 H new ATOM 0 HB2 GLU A 40 0.976 8.863 14.472 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.755 9.034 14.686 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -0.181 8.693 16.869 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.400 7.019 16.399 1.00 0.00 H new ATOM 618 N GLY A 41 -0.420 7.103 11.400 1.00 0.00 N ATOM 619 CA GLY A 41 -0.050 7.400 10.029 1.00 0.00 C ATOM 620 C GLY A 41 0.681 6.251 9.363 1.00 0.00 C ATOM 621 O GLY A 41 0.457 5.961 8.188 1.00 0.00 O ATOM 0 H GLY A 41 -1.272 6.551 11.504 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.947 7.636 9.457 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.582 8.288 10.011 1.00 0.00 H new ATOM 625 N TRP A 42 1.558 5.596 10.115 1.00 0.00 N ATOM 626 CA TRP A 42 2.326 4.472 9.590 1.00 0.00 C ATOM 627 C TRP A 42 1.505 3.188 9.624 1.00 0.00 C ATOM 628 O TRP A 42 1.258 2.627 10.692 1.00 0.00 O ATOM 629 CB TRP A 42 3.615 4.290 10.394 1.00 0.00 C ATOM 630 CG TRP A 42 4.382 5.563 10.584 1.00 0.00 C ATOM 631 CD1 TRP A 42 4.120 6.550 11.490 1.00 0.00 C ATOM 632 CD2 TRP A 42 5.535 5.987 9.848 1.00 0.00 C ATOM 633 NE1 TRP A 42 5.041 7.562 11.363 1.00 0.00 N ATOM 634 CE2 TRP A 42 5.920 7.240 10.363 1.00 0.00 C ATOM 635 CE3 TRP A 42 6.280 5.429 8.806 1.00 0.00 C ATOM 636 CZ2 TRP A 42 7.016 7.942 9.869 1.00 0.00 C ATOM 637 CZ3 TRP A 42 7.368 6.127 8.317 1.00 0.00 C ATOM 638 CH2 TRP A 42 7.728 7.372 8.848 1.00 0.00 C ATOM 0 H TRP A 42 1.755 5.823 11.090 1.00 0.00 H new ATOM 0 HA TRP A 42 2.580 4.690 8.553 1.00 0.00 H new ATOM 0 HB2 TRP A 42 3.370 3.873 11.371 1.00 0.00 H new ATOM 0 HB3 TRP A 42 4.251 3.563 9.888 1.00 0.00 H new ATOM 0 HD1 TRP A 42 3.308 6.537 12.202 1.00 0.00 H new ATOM 0 HE1 TRP A 42 5.066 8.414 11.923 1.00 0.00 H new ATOM 0 HE3 TRP A 42 6.010 4.469 8.390 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 7.295 8.902 10.277 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 7.951 5.705 7.511 1.00 0.00 H new ATOM 0 HH2 TRP A 42 8.584 7.892 8.444 1.00 0.00 H new ATOM 649 N TRP A 43 1.085 2.729 8.451 1.00 0.00 N ATOM 650 CA TRP A 43 0.291 1.509 8.348 1.00 0.00 C ATOM 651 C TRP A 43 1.184 0.297 8.107 1.00 0.00 C ATOM 652 O TRP A 43 2.350 0.437 7.738 1.00 0.00 O ATOM 653 CB TRP A 43 -0.732 1.637 7.218 1.00 0.00 C ATOM 654 CG TRP A 43 -1.861 2.568 7.542 1.00 0.00 C ATOM 655 CD1 TRP A 43 -1.989 3.344 8.658 1.00 0.00 C ATOM 656 CD2 TRP A 43 -3.022 2.818 6.742 1.00 0.00 C ATOM 657 NE1 TRP A 43 -3.159 4.062 8.600 1.00 0.00 N ATOM 658 CE2 TRP A 43 -3.810 3.758 7.434 1.00 0.00 C ATOM 659 CE3 TRP A 43 -3.471 2.341 5.507 1.00 0.00 C ATOM 660 CZ2 TRP A 43 -5.021 4.227 6.932 1.00 0.00 C ATOM 661 CZ3 TRP A 43 -4.673 2.807 5.011 1.00 0.00 C ATOM 662 CH2 TRP A 43 -5.437 3.743 5.721 1.00 0.00 C ATOM 0 H TRP A 43 1.280 3.182 7.558 1.00 0.00 H new ATOM 0 HA TRP A 43 -0.236 1.366 9.292 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -0.227 1.989 6.318 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -1.137 0.651 6.991 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -1.275 3.387 9.468 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -3.489 4.715 9.310 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -2.889 1.621 4.951 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.611 4.947 7.479 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -5.030 2.443 4.059 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -6.372 4.089 5.305 1.00 0.00 H new ATOM 673 N PHE A 44 0.630 -0.892 8.318 1.00 0.00 N ATOM 674 CA PHE A 44 1.377 -2.129 8.124 1.00 0.00 C ATOM 675 C PHE A 44 0.602 -3.100 7.238 1.00 0.00 C ATOM 676 O PHE A 44 -0.488 -3.546 7.593 1.00 0.00 O ATOM 677 CB PHE A 44 1.680 -2.783 9.474 1.00 0.00 C ATOM 678 CG PHE A 44 2.500 -4.037 9.362 1.00 0.00 C ATOM 679 CD1 PHE A 44 3.873 -3.969 9.190 1.00 0.00 C ATOM 680 CD2 PHE A 44 1.898 -5.283 9.428 1.00 0.00 C ATOM 681 CE1 PHE A 44 4.631 -5.121 9.087 1.00 0.00 C ATOM 682 CE2 PHE A 44 2.650 -6.438 9.326 1.00 0.00 C ATOM 683 CZ PHE A 44 4.018 -6.356 9.154 1.00 0.00 C ATOM 0 H PHE A 44 -0.334 -1.025 8.623 1.00 0.00 H new ATOM 0 HA PHE A 44 2.316 -1.883 7.628 1.00 0.00 H new ATOM 0 HB2 PHE A 44 2.208 -2.068 10.105 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.740 -3.016 9.975 1.00 0.00 H new ATOM 0 HD1 PHE A 44 4.357 -3.005 9.136 1.00 0.00 H new ATOM 0 HD2 PHE A 44 0.828 -5.353 9.561 1.00 0.00 H new ATOM 0 HE1 PHE A 44 5.701 -5.055 8.954 1.00 0.00 H new ATOM 0 HE2 PHE A 44 2.169 -7.403 9.381 1.00 0.00 H new ATOM 0 HZ PHE A 44 4.607 -7.257 9.072 1.00 0.00 H new ATOM 693 N GLY A 45 1.174 -3.422 6.082 1.00 0.00 N ATOM 694 CA GLY A 45 0.523 -4.337 5.162 1.00 0.00 C ATOM 695 C GLY A 45 1.481 -4.902 4.132 1.00 0.00 C ATOM 696 O GLY A 45 2.666 -4.570 4.129 1.00 0.00 O ATOM 0 H GLY A 45 2.076 -3.066 5.766 1.00 0.00 H new ATOM 0 HA2 GLY A 45 0.075 -5.156 5.725 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.289 -3.819 4.653 1.00 0.00 H new ATOM 700 N SER A 46 0.967 -5.760 3.256 1.00 0.00 N ATOM 701 CA SER A 46 1.786 -6.377 2.220 1.00 0.00 C ATOM 702 C SER A 46 1.383 -5.873 0.837 1.00 0.00 C ATOM 703 O SER A 46 0.219 -5.961 0.446 1.00 0.00 O ATOM 704 CB SER A 46 1.657 -7.900 2.278 1.00 0.00 C ATOM 705 OG SER A 46 2.757 -8.530 1.645 1.00 0.00 O ATOM 0 H SER A 46 -0.013 -6.043 3.244 1.00 0.00 H new ATOM 0 HA SER A 46 2.825 -6.101 2.400 1.00 0.00 H new ATOM 0 HB2 SER A 46 1.597 -8.224 3.317 1.00 0.00 H new ATOM 0 HB3 SER A 46 0.730 -8.208 1.794 1.00 0.00 H new ATOM 0 HG SER A 46 2.651 -9.503 1.697 1.00 0.00 H new ATOM 711 N LEU A 47 2.355 -5.345 0.101 1.00 0.00 N ATOM 712 CA LEU A 47 2.104 -4.826 -1.239 1.00 0.00 C ATOM 713 C LEU A 47 2.099 -5.952 -2.267 1.00 0.00 C ATOM 714 O LEU A 47 1.044 -6.369 -2.742 1.00 0.00 O ATOM 715 CB LEU A 47 3.161 -3.785 -1.611 1.00 0.00 C ATOM 716 CG LEU A 47 3.341 -3.515 -3.105 1.00 0.00 C ATOM 717 CD1 LEU A 47 1.992 -3.315 -3.777 1.00 0.00 C ATOM 718 CD2 LEU A 47 4.233 -2.301 -3.324 1.00 0.00 C ATOM 0 H LEU A 47 3.324 -5.265 0.409 1.00 0.00 H new ATOM 0 HA LEU A 47 1.122 -4.353 -1.240 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.905 -2.846 -1.121 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.119 -4.107 -1.203 1.00 0.00 H new ATOM 0 HG LEU A 47 3.824 -4.382 -3.556 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.140 -3.124 -4.840 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.386 -4.212 -3.650 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.482 -2.465 -3.323 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.350 -2.124 -4.393 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.778 -1.427 -2.859 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.210 -2.482 -2.877 1.00 0.00 H new ATOM 730 N ASN A 48 3.288 -6.443 -2.605 1.00 0.00 N ATOM 731 CA ASN A 48 3.421 -7.523 -3.576 1.00 0.00 C ATOM 732 C ASN A 48 3.973 -8.783 -2.916 1.00 0.00 C ATOM 733 O ASN A 48 4.817 -9.474 -3.483 1.00 0.00 O ATOM 734 CB ASN A 48 4.335 -7.094 -4.725 1.00 0.00 C ATOM 735 CG ASN A 48 3.568 -6.449 -5.864 1.00 0.00 C ATOM 736 OD1 ASN A 48 2.719 -7.081 -6.492 1.00 0.00 O ATOM 737 ND2 ASN A 48 3.865 -5.183 -6.135 1.00 0.00 N ATOM 0 H ASN A 48 4.172 -6.110 -2.221 1.00 0.00 H new ATOM 0 HA ASN A 48 2.430 -7.746 -3.972 1.00 0.00 H new ATOM 0 HB2 ASN A 48 5.081 -6.393 -4.350 1.00 0.00 H new ATOM 0 HB3 ASN A 48 4.875 -7.963 -5.100 1.00 0.00 H new ATOM 0 HD21 ASN A 48 3.382 -4.696 -6.890 1.00 0.00 H new ATOM 0 HD22 ASN A 48 4.576 -4.698 -5.588 1.00 0.00 H new ATOM 744 N GLY A 49 3.489 -9.075 -1.712 1.00 0.00 N ATOM 745 CA GLY A 49 3.945 -10.251 -0.995 1.00 0.00 C ATOM 746 C GLY A 49 4.924 -9.912 0.112 1.00 0.00 C ATOM 747 O GLY A 49 5.397 -10.796 0.825 1.00 0.00 O ATOM 0 H GLY A 49 2.790 -8.518 -1.221 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.086 -10.769 -0.570 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.418 -10.939 -1.696 1.00 0.00 H new ATOM 751 N LYS A 50 5.230 -8.627 0.255 1.00 0.00 N ATOM 752 CA LYS A 50 6.160 -8.171 1.282 1.00 0.00 C ATOM 753 C LYS A 50 5.462 -7.251 2.278 1.00 0.00 C ATOM 754 O LYS A 50 4.953 -6.192 1.910 1.00 0.00 O ATOM 755 CB LYS A 50 7.343 -7.442 0.641 1.00 0.00 C ATOM 756 CG LYS A 50 8.480 -8.366 0.237 1.00 0.00 C ATOM 757 CD LYS A 50 9.707 -7.582 -0.197 1.00 0.00 C ATOM 758 CE LYS A 50 10.570 -7.192 0.994 1.00 0.00 C ATOM 759 NZ LYS A 50 11.714 -6.329 0.591 1.00 0.00 N ATOM 0 H LYS A 50 4.847 -7.882 -0.328 1.00 0.00 H new ATOM 0 HA LYS A 50 6.528 -9.046 1.818 1.00 0.00 H new ATOM 0 HB2 LYS A 50 6.993 -6.903 -0.240 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.722 -6.697 1.340 1.00 0.00 H new ATOM 0 HG2 LYS A 50 8.738 -9.014 1.074 1.00 0.00 H new ATOM 0 HG3 LYS A 50 8.153 -9.012 -0.577 1.00 0.00 H new ATOM 0 HD2 LYS A 50 10.295 -8.180 -0.893 1.00 0.00 H new ATOM 0 HD3 LYS A 50 9.396 -6.685 -0.732 1.00 0.00 H new ATOM 0 HE2 LYS A 50 9.959 -6.666 1.728 1.00 0.00 H new ATOM 0 HE3 LYS A 50 10.947 -8.092 1.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 12.277 -6.085 1.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 12.311 -6.840 -0.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 11.354 -5.458 0.151 1.00 0.00 H new ATOM 773 N LYS A 51 5.442 -7.661 3.542 1.00 0.00 N ATOM 774 CA LYS A 51 4.810 -6.873 4.593 1.00 0.00 C ATOM 775 C LYS A 51 5.790 -5.863 5.180 1.00 0.00 C ATOM 776 O LYS A 51 7.003 -6.062 5.137 1.00 0.00 O ATOM 777 CB LYS A 51 4.282 -7.790 5.699 1.00 0.00 C ATOM 778 CG LYS A 51 2.839 -8.217 5.498 1.00 0.00 C ATOM 779 CD LYS A 51 2.240 -8.777 6.778 1.00 0.00 C ATOM 780 CE LYS A 51 2.455 -10.279 6.883 1.00 0.00 C ATOM 781 NZ LYS A 51 3.731 -10.610 7.576 1.00 0.00 N ATOM 0 H LYS A 51 5.857 -8.536 3.863 1.00 0.00 H new ATOM 0 HA LYS A 51 3.975 -6.328 4.152 1.00 0.00 H new ATOM 0 HB2 LYS A 51 4.911 -8.679 5.753 1.00 0.00 H new ATOM 0 HB3 LYS A 51 4.370 -7.278 6.657 1.00 0.00 H new ATOM 0 HG2 LYS A 51 2.250 -7.364 5.162 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.787 -8.970 4.711 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.691 -8.283 7.639 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.173 -8.558 6.808 1.00 0.00 H new ATOM 0 HE2 LYS A 51 1.621 -10.728 7.423 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.460 -10.716 5.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 3.725 -11.612 7.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.530 -10.433 6.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 3.830 -10.016 8.424 1.00 0.00 H new ATOM 795 N GLY A 52 5.255 -4.777 5.730 1.00 0.00 N ATOM 796 CA GLY A 52 6.097 -3.752 6.319 1.00 0.00 C ATOM 797 C GLY A 52 5.310 -2.526 6.740 1.00 0.00 C ATOM 798 O GLY A 52 4.114 -2.423 6.466 1.00 0.00 O ATOM 0 H GLY A 52 4.254 -4.589 5.778 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.613 -4.164 7.186 1.00 0.00 H new ATOM 0 HA3 GLY A 52 6.863 -3.459 5.601 1.00 0.00 H new ATOM 802 N HIS A 53 5.982 -1.595 7.410 1.00 0.00 N ATOM 803 CA HIS A 53 5.337 -0.370 7.870 1.00 0.00 C ATOM 804 C HIS A 53 5.483 0.742 6.837 1.00 0.00 C ATOM 805 O HIS A 53 6.572 1.284 6.642 1.00 0.00 O ATOM 806 CB HIS A 53 5.936 0.075 9.205 1.00 0.00 C ATOM 807 CG HIS A 53 5.606 -0.839 10.344 1.00 0.00 C ATOM 808 ND1 HIS A 53 6.530 -1.682 10.925 1.00 0.00 N ATOM 809 CD2 HIS A 53 4.445 -1.038 11.012 1.00 0.00 C ATOM 810 CE1 HIS A 53 5.951 -2.361 11.899 1.00 0.00 C ATOM 811 NE2 HIS A 53 4.686 -1.989 11.973 1.00 0.00 N ATOM 0 H HIS A 53 6.972 -1.665 7.646 1.00 0.00 H new ATOM 0 HA HIS A 53 4.275 -0.576 8.007 1.00 0.00 H new ATOM 0 HB2 HIS A 53 7.019 0.140 9.104 1.00 0.00 H new ATOM 0 HB3 HIS A 53 5.577 1.077 9.439 1.00 0.00 H new ATOM 0 HD2 HIS A 53 3.505 -0.541 10.824 1.00 0.00 H new ATOM 0 HE1 HIS A 53 6.431 -3.096 12.528 1.00 0.00 H new ATOM 0 HE2 HIS A 53 4.000 -2.349 12.636 1.00 0.00 H new ATOM 820 N PHE A 54 4.380 1.079 6.177 1.00 0.00 N ATOM 821 CA PHE A 54 4.386 2.126 5.162 1.00 0.00 C ATOM 822 C PHE A 54 3.568 3.330 5.618 1.00 0.00 C ATOM 823 O PHE A 54 2.665 3.221 6.448 1.00 0.00 O ATOM 824 CB PHE A 54 3.830 1.588 3.841 1.00 0.00 C ATOM 825 CG PHE A 54 2.530 0.853 3.993 1.00 0.00 C ATOM 826 CD1 PHE A 54 1.342 1.546 4.159 1.00 0.00 C ATOM 827 CD2 PHE A 54 2.495 -0.532 3.971 1.00 0.00 C ATOM 828 CE1 PHE A 54 0.143 0.872 4.298 1.00 0.00 C ATOM 829 CE2 PHE A 54 1.300 -1.212 4.110 1.00 0.00 C ATOM 830 CZ PHE A 54 0.122 -0.509 4.275 1.00 0.00 C ATOM 0 H PHE A 54 3.471 0.642 6.327 1.00 0.00 H new ATOM 0 HA PHE A 54 5.417 2.446 5.011 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.690 2.419 3.150 1.00 0.00 H new ATOM 0 HB3 PHE A 54 4.565 0.920 3.392 1.00 0.00 H new ATOM 0 HD1 PHE A 54 1.353 2.626 4.180 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.413 -1.087 3.844 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -0.776 1.425 4.424 1.00 0.00 H new ATOM 0 HE2 PHE A 54 1.287 -2.292 4.090 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.813 -1.038 4.386 1.00 0.00 H new ATOM 840 N PRO A 55 3.890 4.508 5.064 1.00 0.00 N ATOM 841 CA PRO A 55 3.198 5.756 5.398 1.00 0.00 C ATOM 842 C PRO A 55 1.769 5.787 4.867 1.00 0.00 C ATOM 843 O PRO A 55 1.514 5.413 3.723 1.00 0.00 O ATOM 844 CB PRO A 55 4.047 6.828 4.711 1.00 0.00 C ATOM 845 CG PRO A 55 4.717 6.117 3.586 1.00 0.00 C ATOM 846 CD PRO A 55 4.956 4.712 4.068 1.00 0.00 C ATOM 0 HA PRO A 55 3.104 5.893 6.475 1.00 0.00 H new ATOM 0 HB2 PRO A 55 3.430 7.650 4.348 1.00 0.00 H new ATOM 0 HB3 PRO A 55 4.776 7.257 5.399 1.00 0.00 H new ATOM 0 HG2 PRO A 55 4.092 6.122 2.693 1.00 0.00 H new ATOM 0 HG3 PRO A 55 5.656 6.604 3.321 1.00 0.00 H new ATOM 0 HD2 PRO A 55 4.889 3.991 3.254 1.00 0.00 H new ATOM 0 HD3 PRO A 55 5.946 4.602 4.510 1.00 0.00 H new ATOM 854 N ALA A 56 0.841 6.235 5.706 1.00 0.00 N ATOM 855 CA ALA A 56 -0.563 6.316 5.320 1.00 0.00 C ATOM 856 C ALA A 56 -0.771 7.360 4.227 1.00 0.00 C ATOM 857 O ALA A 56 -1.259 7.046 3.141 1.00 0.00 O ATOM 858 CB ALA A 56 -1.426 6.638 6.531 1.00 0.00 C ATOM 0 H ALA A 56 1.036 6.547 6.657 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.862 5.346 4.923 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -2.471 6.695 6.228 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.308 5.855 7.280 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.118 7.594 6.954 1.00 0.00 H new ATOM 864 N ALA A 57 -0.400 8.601 4.522 1.00 0.00 N ATOM 865 CA ALA A 57 -0.546 9.690 3.564 1.00 0.00 C ATOM 866 C ALA A 57 -0.210 9.226 2.151 1.00 0.00 C ATOM 867 O ALA A 57 -0.692 9.794 1.170 1.00 0.00 O ATOM 868 CB ALA A 57 0.338 10.863 3.961 1.00 0.00 C ATOM 0 H ALA A 57 0.004 8.878 5.417 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.587 10.014 3.574 1.00 0.00 H new ATOM 0 HB1 ALA A 57 0.219 11.669 3.237 1.00 0.00 H new ATOM 0 HB2 ALA A 57 0.049 11.218 4.950 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.380 10.543 3.980 1.00 0.00 H new ATOM 874 N TYR A 58 0.620 8.193 2.054 1.00 0.00 N ATOM 875 CA TYR A 58 1.022 7.656 0.760 1.00 0.00 C ATOM 876 C TYR A 58 -0.086 6.797 0.157 1.00 0.00 C ATOM 877 O TYR A 58 -0.361 6.869 -1.040 1.00 0.00 O ATOM 878 CB TYR A 58 2.302 6.830 0.903 1.00 0.00 C ATOM 879 CG TYR A 58 3.566 7.657 0.847 1.00 0.00 C ATOM 880 CD1 TYR A 58 3.858 8.583 1.841 1.00 0.00 C ATOM 881 CD2 TYR A 58 4.468 7.513 -0.200 1.00 0.00 C ATOM 882 CE1 TYR A 58 5.012 9.341 1.794 1.00 0.00 C ATOM 883 CE2 TYR A 58 5.625 8.267 -0.254 1.00 0.00 C ATOM 884 CZ TYR A 58 5.892 9.179 0.745 1.00 0.00 C ATOM 885 OH TYR A 58 7.043 9.932 0.693 1.00 0.00 O ATOM 0 H TYR A 58 1.027 7.711 2.856 1.00 0.00 H new ATOM 0 HA TYR A 58 1.211 8.495 0.090 1.00 0.00 H new ATOM 0 HB2 TYR A 58 2.272 6.291 1.850 1.00 0.00 H new ATOM 0 HB3 TYR A 58 2.332 6.082 0.111 1.00 0.00 H new ATOM 0 HD1 TYR A 58 3.171 8.712 2.664 1.00 0.00 H new ATOM 0 HD2 TYR A 58 4.262 6.800 -0.985 1.00 0.00 H new ATOM 0 HE1 TYR A 58 5.224 10.057 2.575 1.00 0.00 H new ATOM 0 HE2 TYR A 58 6.316 8.142 -1.074 1.00 0.00 H new ATOM 0 HH TYR A 58 7.553 9.695 -0.109 1.00 0.00 H new ATOM 895 N VAL A 59 -0.720 5.986 0.998 1.00 0.00 N ATOM 896 CA VAL A 59 -1.800 5.114 0.551 1.00 0.00 C ATOM 897 C VAL A 59 -3.158 5.654 0.986 1.00 0.00 C ATOM 898 O VAL A 59 -3.263 6.362 1.987 1.00 0.00 O ATOM 899 CB VAL A 59 -1.630 3.684 1.098 1.00 0.00 C ATOM 900 CG1 VAL A 59 -0.237 3.156 0.787 1.00 0.00 C ATOM 901 CG2 VAL A 59 -1.900 3.651 2.594 1.00 0.00 C ATOM 0 H VAL A 59 -0.504 5.915 1.992 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.754 5.087 -0.538 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.356 3.036 0.607 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.135 2.145 1.181 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -0.086 3.142 -0.292 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.509 3.802 1.250 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.775 2.633 2.964 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.199 4.311 3.105 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -2.919 3.985 2.787 1.00 0.00 H new ATOM 911 N GLU A 60 -4.194 5.315 0.226 1.00 0.00 N ATOM 912 CA GLU A 60 -5.546 5.767 0.533 1.00 0.00 C ATOM 913 C GLU A 60 -6.514 4.589 0.590 1.00 0.00 C ATOM 914 O GLU A 60 -6.665 3.849 -0.382 1.00 0.00 O ATOM 915 CB GLU A 60 -6.019 6.780 -0.511 1.00 0.00 C ATOM 916 CG GLU A 60 -7.503 7.095 -0.425 1.00 0.00 C ATOM 917 CD GLU A 60 -8.010 7.852 -1.637 1.00 0.00 C ATOM 918 OE1 GLU A 60 -8.080 7.249 -2.728 1.00 0.00 O ATOM 919 OE2 GLU A 60 -8.337 9.049 -1.494 1.00 0.00 O ATOM 0 H GLU A 60 -4.123 4.729 -0.606 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.527 6.247 1.511 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.453 7.704 -0.391 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.795 6.395 -1.506 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.063 6.165 -0.322 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.694 7.683 0.472 1.00 0.00 H new ATOM 926 N GLU A 61 -7.166 4.421 1.736 1.00 0.00 N ATOM 927 CA GLU A 61 -8.118 3.332 1.920 1.00 0.00 C ATOM 928 C GLU A 61 -9.136 3.301 0.784 1.00 0.00 C ATOM 929 O GLU A 61 -9.654 4.339 0.371 1.00 0.00 O ATOM 930 CB GLU A 61 -8.840 3.477 3.262 1.00 0.00 C ATOM 931 CG GLU A 61 -9.278 2.152 3.864 1.00 0.00 C ATOM 932 CD GLU A 61 -10.262 2.326 5.004 1.00 0.00 C ATOM 933 OE1 GLU A 61 -11.415 2.725 4.737 1.00 0.00 O ATOM 934 OE2 GLU A 61 -9.879 2.064 6.163 1.00 0.00 O ATOM 0 H GLU A 61 -7.053 5.025 2.550 1.00 0.00 H new ATOM 0 HA GLU A 61 -7.563 2.394 1.913 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -8.182 3.986 3.966 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -9.715 4.112 3.127 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -9.733 1.537 3.087 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -8.401 1.614 4.225 1.00 0.00 H new ATOM 941 N LEU A 62 -9.417 2.103 0.282 1.00 0.00 N ATOM 942 CA LEU A 62 -10.372 1.935 -0.808 1.00 0.00 C ATOM 943 C LEU A 62 -11.489 0.977 -0.410 1.00 0.00 C ATOM 944 O LEU A 62 -11.304 0.073 0.406 1.00 0.00 O ATOM 945 CB LEU A 62 -9.662 1.417 -2.060 1.00 0.00 C ATOM 946 CG LEU A 62 -8.619 2.351 -2.676 1.00 0.00 C ATOM 947 CD1 LEU A 62 -7.847 1.639 -3.775 1.00 0.00 C ATOM 948 CD2 LEU A 62 -9.284 3.609 -3.217 1.00 0.00 C ATOM 0 H LEU A 62 -8.997 1.234 0.612 1.00 0.00 H new ATOM 0 HA LEU A 62 -10.813 2.908 -1.025 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -9.175 0.474 -1.813 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -10.416 1.198 -2.816 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.915 2.642 -1.897 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.110 2.319 -4.201 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -7.340 0.769 -3.358 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -8.537 1.317 -4.555 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -8.527 4.262 -3.652 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -10.011 3.336 -3.982 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -9.791 4.131 -2.405 1.00 0.00 H new ATOM 960 N PRO A 63 -12.678 1.175 -0.999 1.00 0.00 N ATOM 961 CA PRO A 63 -13.848 0.336 -0.724 1.00 0.00 C ATOM 962 C PRO A 63 -13.695 -1.074 -1.283 1.00 0.00 C ATOM 963 O PRO A 63 -14.163 -2.043 -0.686 1.00 0.00 O ATOM 964 CB PRO A 63 -14.987 1.072 -1.433 1.00 0.00 C ATOM 965 CG PRO A 63 -14.321 1.846 -2.518 1.00 0.00 C ATOM 966 CD PRO A 63 -12.970 2.233 -1.981 1.00 0.00 C ATOM 0 HA PRO A 63 -14.010 0.201 0.345 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -15.719 0.373 -1.838 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -15.520 1.730 -0.747 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -14.224 1.246 -3.423 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -14.904 2.729 -2.782 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -12.219 2.268 -2.770 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -12.990 3.219 -1.516 1.00 0.00 H new ATOM 974 N SER A 64 -13.037 -1.182 -2.433 1.00 0.00 N ATOM 975 CA SER A 64 -12.826 -2.474 -3.075 1.00 0.00 C ATOM 976 C SER A 64 -11.921 -2.333 -4.295 1.00 0.00 C ATOM 977 O SER A 64 -11.678 -1.227 -4.777 1.00 0.00 O ATOM 978 CB SER A 64 -14.165 -3.087 -3.488 1.00 0.00 C ATOM 979 OG SER A 64 -14.648 -2.500 -4.684 1.00 0.00 O ATOM 0 H SER A 64 -12.641 -0.390 -2.939 1.00 0.00 H new ATOM 0 HA SER A 64 -12.339 -3.133 -2.357 1.00 0.00 H new ATOM 0 HB2 SER A 64 -14.049 -4.162 -3.628 1.00 0.00 H new ATOM 0 HB3 SER A 64 -14.894 -2.947 -2.690 1.00 0.00 H new ATOM 0 HG SER A 64 -15.504 -2.910 -4.927 1.00 0.00 H new ATOM 985 N ASN A 65 -11.425 -3.462 -4.790 1.00 0.00 N ATOM 986 CA ASN A 65 -10.546 -3.466 -5.954 1.00 0.00 C ATOM 987 C ASN A 65 -11.032 -4.464 -7.000 1.00 0.00 C ATOM 988 O ASN A 65 -11.425 -5.582 -6.670 1.00 0.00 O ATOM 989 CB ASN A 65 -9.113 -3.805 -5.536 1.00 0.00 C ATOM 990 CG ASN A 65 -8.871 -5.300 -5.466 1.00 0.00 C ATOM 991 OD1 ASN A 65 -8.407 -5.911 -6.429 1.00 0.00 O ATOM 992 ND2 ASN A 65 -9.184 -5.898 -4.322 1.00 0.00 N ATOM 0 H ASN A 65 -11.617 -4.386 -4.403 1.00 0.00 H new ATOM 0 HA ASN A 65 -10.563 -2.469 -6.394 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -8.415 -3.359 -6.245 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -8.906 -3.360 -4.563 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -9.042 -6.903 -4.216 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -9.566 -5.353 -3.549 1.00 0.00 H new ATOM 999 N ALA A 66 -11.002 -4.051 -8.263 1.00 0.00 N ATOM 1000 CA ALA A 66 -11.437 -4.909 -9.358 1.00 0.00 C ATOM 1001 C ALA A 66 -10.640 -4.627 -10.626 1.00 0.00 C ATOM 1002 O ALA A 66 -10.483 -3.475 -11.029 1.00 0.00 O ATOM 1003 CB ALA A 66 -12.925 -4.723 -9.615 1.00 0.00 C ATOM 0 H ALA A 66 -10.681 -3.127 -8.553 1.00 0.00 H new ATOM 0 HA ALA A 66 -11.256 -5.944 -9.069 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -13.236 -5.370 -10.435 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -13.485 -4.982 -8.716 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -13.122 -3.684 -9.878 1.00 0.00 H new ATOM 1009 N GLY A 67 -10.137 -5.687 -11.252 1.00 0.00 N ATOM 1010 CA GLY A 67 -9.361 -5.531 -12.468 1.00 0.00 C ATOM 1011 C GLY A 67 -8.370 -6.660 -12.672 1.00 0.00 C ATOM 1012 O GLY A 67 -7.215 -6.563 -12.260 1.00 0.00 O ATOM 0 H GLY A 67 -10.253 -6.651 -10.938 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -10.036 -5.485 -13.323 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -8.825 -4.583 -12.434 1.00 0.00 H new ATOM 1016 N ASN A 68 -8.823 -7.735 -13.309 1.00 0.00 N ATOM 1017 CA ASN A 68 -7.968 -8.889 -13.564 1.00 0.00 C ATOM 1018 C ASN A 68 -6.648 -8.458 -14.196 1.00 0.00 C ATOM 1019 O ASN A 68 -6.628 -7.688 -15.157 1.00 0.00 O ATOM 1020 CB ASN A 68 -8.682 -9.887 -14.478 1.00 0.00 C ATOM 1021 CG ASN A 68 -9.873 -10.540 -13.803 1.00 0.00 C ATOM 1022 OD1 ASN A 68 -9.721 -11.487 -13.032 1.00 0.00 O ATOM 1023 ND2 ASN A 68 -11.066 -10.034 -14.091 1.00 0.00 N ATOM 0 H ASN A 68 -9.777 -7.831 -13.658 1.00 0.00 H new ATOM 0 HA ASN A 68 -7.754 -9.370 -12.609 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -9.015 -9.375 -15.381 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -7.977 -10.658 -14.791 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -11.904 -10.431 -13.667 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -11.144 -9.248 -14.736 1.00 0.00 H new ATOM 1030 N THR A 69 -5.544 -8.961 -13.650 1.00 0.00 N ATOM 1031 CA THR A 69 -4.220 -8.629 -14.159 1.00 0.00 C ATOM 1032 C THR A 69 -3.313 -9.854 -14.173 1.00 0.00 C ATOM 1033 O THR A 69 -3.599 -10.857 -13.521 1.00 0.00 O ATOM 1034 CB THR A 69 -3.556 -7.522 -13.318 1.00 0.00 C ATOM 1035 OG1 THR A 69 -4.555 -6.640 -12.794 1.00 0.00 O ATOM 1036 CG2 THR A 69 -2.560 -6.731 -14.153 1.00 0.00 C ATOM 0 H THR A 69 -5.542 -9.600 -12.855 1.00 0.00 H new ATOM 0 HA THR A 69 -4.355 -8.269 -15.179 1.00 0.00 H new ATOM 0 HB THR A 69 -3.020 -7.994 -12.494 1.00 0.00 H new ATOM 0 HG1 THR A 69 -4.125 -5.940 -12.259 1.00 0.00 H new ATOM 0 HG21 THR A 69 -2.104 -5.955 -13.538 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.785 -7.401 -14.526 1.00 0.00 H new ATOM 0 HG23 THR A 69 -3.076 -6.270 -14.995 1.00 0.00 H new ATOM 1044 N ALA A 70 -2.218 -9.765 -14.921 1.00 0.00 N ATOM 1045 CA ALA A 70 -1.267 -10.866 -15.017 1.00 0.00 C ATOM 1046 C ALA A 70 -0.380 -10.935 -13.778 1.00 0.00 C ATOM 1047 O ALA A 70 -0.393 -11.926 -13.047 1.00 0.00 O ATOM 1048 CB ALA A 70 -0.417 -10.721 -16.270 1.00 0.00 C ATOM 0 H ALA A 70 -1.968 -8.942 -15.469 1.00 0.00 H new ATOM 0 HA ALA A 70 -1.831 -11.797 -15.080 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.289 -11.550 -16.329 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.061 -10.729 -17.149 1.00 0.00 H new ATOM 0 HB3 ALA A 70 0.131 -9.780 -16.231 1.00 0.00 H new ATOM 1054 N THR A 71 0.391 -9.877 -13.549 1.00 0.00 N ATOM 1055 CA THR A 71 1.287 -9.819 -12.400 1.00 0.00 C ATOM 1056 C THR A 71 0.523 -10.029 -11.097 1.00 0.00 C ATOM 1057 O THR A 71 1.009 -10.694 -10.182 1.00 0.00 O ATOM 1058 CB THR A 71 2.029 -8.471 -12.334 1.00 0.00 C ATOM 1059 OG1 THR A 71 2.878 -8.434 -11.181 1.00 0.00 O ATOM 1060 CG2 THR A 71 1.045 -7.312 -12.282 1.00 0.00 C ATOM 0 H THR A 71 0.413 -9.049 -14.144 1.00 0.00 H new ATOM 0 HA THR A 71 2.015 -10.621 -12.526 1.00 0.00 H new ATOM 0 HB THR A 71 2.635 -8.372 -13.235 1.00 0.00 H new ATOM 0 HG1 THR A 71 3.347 -7.574 -11.148 1.00 0.00 H new ATOM 0 HG21 THR A 71 1.593 -6.371 -12.236 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.420 -7.325 -13.175 1.00 0.00 H new ATOM 0 HG23 THR A 71 0.415 -7.409 -11.398 1.00 0.00 H new ATOM 1068 N LYS A 72 -0.674 -9.459 -11.020 1.00 0.00 N ATOM 1069 CA LYS A 72 -1.507 -9.586 -9.829 1.00 0.00 C ATOM 1070 C LYS A 72 -2.714 -10.478 -10.102 1.00 0.00 C ATOM 1071 O LYS A 72 -3.772 -9.999 -10.507 1.00 0.00 O ATOM 1072 CB LYS A 72 -1.975 -8.206 -9.360 1.00 0.00 C ATOM 1073 CG LYS A 72 -1.028 -7.546 -8.373 1.00 0.00 C ATOM 1074 CD LYS A 72 -1.376 -7.909 -6.939 1.00 0.00 C ATOM 1075 CE LYS A 72 -0.325 -7.399 -5.964 1.00 0.00 C ATOM 1076 NZ LYS A 72 -0.908 -7.104 -4.625 1.00 0.00 N ATOM 0 H LYS A 72 -1.090 -8.904 -11.768 1.00 0.00 H new ATOM 0 HA LYS A 72 -0.907 -10.046 -9.044 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -2.092 -7.557 -10.228 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.958 -8.302 -8.899 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.004 -7.852 -8.589 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -1.069 -6.464 -8.496 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -2.348 -7.488 -6.681 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.464 -8.992 -6.848 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.465 -8.142 -5.860 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.136 -6.497 -6.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -0.142 -6.973 -3.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.478 -6.236 -4.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -1.511 -7.897 -4.327 1.00 0.00 H new ATOM 1090 N ALA A 73 -2.547 -11.777 -9.875 1.00 0.00 N ATOM 1091 CA ALA A 73 -3.624 -12.735 -10.092 1.00 0.00 C ATOM 1092 C ALA A 73 -4.541 -12.815 -8.877 1.00 0.00 C ATOM 1093 O ALA A 73 -4.319 -13.619 -7.972 1.00 0.00 O ATOM 1094 CB ALA A 73 -3.052 -14.107 -10.416 1.00 0.00 C ATOM 0 H ALA A 73 -1.676 -12.190 -9.541 1.00 0.00 H new ATOM 0 HA ALA A 73 -4.217 -12.392 -10.939 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -3.867 -14.813 -10.576 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -2.445 -14.044 -11.319 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -2.434 -14.449 -9.586 1.00 0.00 H new ATOM 1100 N SER A 74 -5.572 -11.976 -8.863 1.00 0.00 N ATOM 1101 CA SER A 74 -6.521 -11.949 -7.756 1.00 0.00 C ATOM 1102 C SER A 74 -7.646 -12.954 -7.981 1.00 0.00 C ATOM 1103 O SER A 74 -8.054 -13.204 -9.114 1.00 0.00 O ATOM 1104 CB SER A 74 -7.103 -10.544 -7.590 1.00 0.00 C ATOM 1105 OG SER A 74 -7.758 -10.120 -8.773 1.00 0.00 O ATOM 0 H SER A 74 -5.771 -11.306 -9.606 1.00 0.00 H new ATOM 0 HA SER A 74 -5.988 -12.224 -6.846 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.807 -10.535 -6.758 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.306 -9.844 -7.341 1.00 0.00 H new ATOM 0 HG SER A 74 -8.123 -9.220 -8.640 1.00 0.00 H new ATOM 1111 N GLY A 75 -8.144 -13.529 -6.890 1.00 0.00 N ATOM 1112 CA GLY A 75 -9.217 -14.501 -6.988 1.00 0.00 C ATOM 1113 C GLY A 75 -8.820 -15.860 -6.445 1.00 0.00 C ATOM 1114 O GLY A 75 -7.651 -16.244 -6.469 1.00 0.00 O ATOM 0 H GLY A 75 -7.823 -13.339 -5.941 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -10.086 -14.135 -6.441 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.516 -14.603 -8.031 1.00 0.00 H new ATOM 1118 N PRO A 76 -9.809 -16.611 -5.939 1.00 0.00 N ATOM 1119 CA PRO A 76 -9.582 -17.946 -5.377 1.00 0.00 C ATOM 1120 C PRO A 76 -9.217 -18.971 -6.446 1.00 0.00 C ATOM 1121 O PRO A 76 -10.087 -19.487 -7.147 1.00 0.00 O ATOM 1122 CB PRO A 76 -10.927 -18.296 -4.737 1.00 0.00 C ATOM 1123 CG PRO A 76 -11.927 -17.490 -5.493 1.00 0.00 C ATOM 1124 CD PRO A 76 -11.227 -16.216 -5.878 1.00 0.00 C ATOM 0 HA PRO A 76 -8.747 -17.956 -4.677 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -11.137 -19.363 -4.816 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -10.938 -18.046 -3.676 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -12.274 -18.027 -6.376 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -12.805 -17.283 -4.881 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -11.580 -15.837 -6.837 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -11.393 -15.428 -5.143 1.00 0.00 H new ATOM 1132 N SER A 77 -7.926 -19.261 -6.565 1.00 0.00 N ATOM 1133 CA SER A 77 -7.446 -20.222 -7.551 1.00 0.00 C ATOM 1134 C SER A 77 -7.846 -19.799 -8.961 1.00 0.00 C ATOM 1135 O SER A 77 -8.245 -20.627 -9.780 1.00 0.00 O ATOM 1136 CB SER A 77 -8.000 -21.616 -7.248 1.00 0.00 C ATOM 1137 OG SER A 77 -7.254 -22.618 -7.916 1.00 0.00 O ATOM 0 H SER A 77 -7.193 -18.844 -5.991 1.00 0.00 H new ATOM 0 HA SER A 77 -6.358 -20.251 -7.494 1.00 0.00 H new ATOM 0 HB2 SER A 77 -7.974 -21.795 -6.173 1.00 0.00 H new ATOM 0 HB3 SER A 77 -9.044 -21.670 -7.555 1.00 0.00 H new ATOM 0 HG SER A 77 -7.232 -22.424 -8.876 1.00 0.00 H new ATOM 1143 N SER A 78 -7.735 -18.504 -9.237 1.00 0.00 N ATOM 1144 CA SER A 78 -8.089 -17.968 -10.547 1.00 0.00 C ATOM 1145 C SER A 78 -6.856 -17.420 -11.260 1.00 0.00 C ATOM 1146 O SER A 78 -6.166 -16.542 -10.744 1.00 0.00 O ATOM 1147 CB SER A 78 -9.141 -16.867 -10.404 1.00 0.00 C ATOM 1148 OG SER A 78 -10.428 -17.418 -10.183 1.00 0.00 O ATOM 0 H SER A 78 -7.403 -17.806 -8.572 1.00 0.00 H new ATOM 0 HA SER A 78 -8.503 -18.780 -11.145 1.00 0.00 H new ATOM 0 HB2 SER A 78 -8.875 -16.211 -9.575 1.00 0.00 H new ATOM 0 HB3 SER A 78 -9.154 -16.253 -11.305 1.00 0.00 H new ATOM 0 HG SER A 78 -11.083 -16.694 -10.093 1.00 0.00 H new ATOM 1154 N GLY A 79 -6.587 -17.946 -12.451 1.00 0.00 N ATOM 1155 CA GLY A 79 -5.438 -17.498 -13.217 1.00 0.00 C ATOM 1156 C GLY A 79 -5.696 -17.512 -14.710 1.00 0.00 C ATOM 1157 O GLY A 79 -6.063 -18.543 -15.274 1.00 0.00 O ATOM 0 H GLY A 79 -7.144 -18.674 -12.899 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -5.170 -16.488 -12.907 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -4.584 -18.137 -12.993 1.00 0.00 H new TER 1161 GLY A 79