USER MOD reduce.3.24.130724 H: found=0, std=0, add=959, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 955 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 90 THR OG1 : rot 63:sc= 0.275 USER MOD Set 1.2: A 91 HIS : no HD1:sc= -1.65 K(o=-1.4,f=-2.9) USER MOD Set 2.1: A 79 CYS SG : rot 159:sc= -1.5 USER MOD Set 2.2: A 83 MET CE :methyl 146:sc= -2.22 (180deg=-3.6!) USER MOD Set 3.1: A 46 ASN : amide:sc= -0.287 K(o=-0.29,f=0.32) USER MOD Set 3.2: A 56 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 29 THR OG1 : rot -160:sc= -1.11 USER MOD Set 4.2: A 32 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 16 SER OG : rot 180:sc= 0 USER MOD Set 5.2: A 17 SER OG : rot 180:sc= 0 USER MOD Set 6.1: A 15 SER OG : rot 172:sc= 0.688 USER MOD Set 6.2: A 19 SER OG : rot 64:sc= 0.396 USER MOD Single : A 1 GLY N :NH3+ -121:sc= 0.0767 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 59:sc= 0.0651 USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.0192 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 26 CYS SG : rot -30:sc= 0.0367 USER MOD Single : A 27 GLN : amide:sc= -0.0129 K(o=-0.013,f=-0.87) USER MOD Single : A 28 ASN : amide:sc= -0.241 X(o=-0.24,f=-0.26) USER MOD Single : A 37 SER OG : rot -44:sc= 0.915 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot -105:sc= 1.36 USER MOD Single : A 50 ASN : amide:sc= -0.3 X(o=-0.3,f=-0.13) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -140:sc= 0.0237 (180deg=-1.19) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -1.22 K(o=-1.2,f=-0.044) USER MOD Single : A 64 THR OG1 : rot 88:sc= 0.106 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot -6:sc= -1.04 USER MOD Single : A 96 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.0172) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0.0485 USER MOD Single : A 102 GLN : amide:sc= -3.34! C(o=-3.3!,f=-2.1!) USER MOD Single : A 104 GLN : amide:sc= -0.169 X(o=-0.17,f=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 SER OG : rot 180:sc= 0.0814 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot -57:sc= 0.831 USER MOD Single : A 122 SER OG : rot 48:sc= 0.0879 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 37.358 0.404 22.948 1.00 54.51 N ATOM 2 CA GLY A 1 37.159 -0.467 21.805 1.00 23.22 C ATOM 3 C GLY A 1 35.696 -0.628 21.446 1.00 32.23 C ATOM 4 O GLY A 1 34.811 -0.060 22.086 1.00 14.44 O ATOM 0 H1 GLY A 1 37.958 1.207 22.672 1.00 54.51 H new ATOM 0 H2 GLY A 1 36.438 0.757 23.280 1.00 54.51 H new ATOM 0 H3 GLY A 1 37.821 -0.127 23.713 1.00 54.51 H new ATOM 0 HA2 GLY A 1 37.698 -0.064 20.947 1.00 23.22 H new ATOM 0 HA3 GLY A 1 37.587 -1.446 22.020 1.00 23.22 H new ATOM 7 N PRO A 2 35.423 -1.417 20.396 1.00 41.11 N ATOM 8 CA PRO A 2 34.057 -1.667 19.927 1.00 32.23 C ATOM 9 C PRO A 2 33.258 -2.525 20.904 1.00 54.42 C ATOM 10 O PRO A 2 33.821 -3.340 21.634 1.00 32.33 O ATOM 11 CB PRO A 2 34.265 -2.415 18.607 1.00 12.52 C ATOM 12 CG PRO A 2 35.602 -3.059 18.744 1.00 1.31 C ATOM 13 CD PRO A 2 36.428 -2.125 19.586 1.00 61.31 C ATOM 0 HA PRO A 2 33.486 -0.744 19.824 1.00 32.23 H new ATOM 0 HB2 PRO A 2 33.483 -3.157 18.445 1.00 12.52 H new ATOM 0 HB3 PRO A 2 34.239 -1.733 17.757 1.00 12.52 H new ATOM 0 HG2 PRO A 2 35.517 -4.038 19.216 1.00 1.31 H new ATOM 0 HG3 PRO A 2 36.062 -3.215 17.768 1.00 1.31 H new ATOM 0 HD2 PRO A 2 37.137 -2.668 20.210 1.00 61.31 H new ATOM 0 HD3 PRO A 2 37.007 -1.436 18.971 1.00 61.31 H new ATOM 21 N LEU A 3 31.943 -2.335 20.911 1.00 42.30 N ATOM 22 CA LEU A 3 31.066 -3.090 21.798 1.00 64.30 C ATOM 23 C LEU A 3 29.673 -3.234 21.192 1.00 3.24 C ATOM 24 O LEU A 3 28.669 -2.961 21.848 1.00 0.11 O ATOM 25 CB LEU A 3 30.972 -2.406 23.161 1.00 13.43 C ATOM 26 CG LEU A 3 30.664 -0.907 23.141 1.00 30.02 C ATOM 27 CD1 LEU A 3 29.384 -0.615 23.910 1.00 31.43 C ATOM 28 CD2 LEU A 3 31.827 -0.115 23.718 1.00 10.10 C ATOM 0 H LEU A 3 31.461 -1.664 20.312 1.00 42.30 H new ATOM 0 HA LEU A 3 31.492 -4.085 21.928 1.00 64.30 H new ATOM 0 HB2 LEU A 3 30.200 -2.907 23.744 1.00 13.43 H new ATOM 0 HB3 LEU A 3 31.915 -2.556 23.686 1.00 13.43 H new ATOM 0 HG LEU A 3 30.520 -0.599 22.105 1.00 30.02 H new ATOM 0 HD11 LEU A 3 29.181 0.456 23.885 1.00 31.43 H new ATOM 0 HD12 LEU A 3 28.554 -1.153 23.452 1.00 31.43 H new ATOM 0 HD13 LEU A 3 29.499 -0.938 24.945 1.00 31.43 H new ATOM 0 HD21 LEU A 3 31.590 0.949 23.695 1.00 10.10 H new ATOM 0 HD22 LEU A 3 32.003 -0.426 24.748 1.00 10.10 H new ATOM 0 HD23 LEU A 3 32.723 -0.299 23.125 1.00 10.10 H new ATOM 40 N GLY A 4 29.621 -3.669 19.937 1.00 65.53 N ATOM 41 CA GLY A 4 28.346 -3.845 19.265 1.00 3.20 C ATOM 42 C GLY A 4 27.966 -5.304 19.117 1.00 75.32 C ATOM 43 O GLY A 4 28.811 -6.189 19.244 1.00 33.21 O ATOM 0 H GLY A 4 30.438 -3.903 19.373 1.00 65.53 H new ATOM 0 HA2 GLY A 4 27.569 -3.325 19.825 1.00 3.20 H new ATOM 0 HA3 GLY A 4 28.392 -3.383 18.279 1.00 3.20 H new ATOM 47 N SER A 5 26.688 -5.555 18.848 1.00 71.30 N ATOM 48 CA SER A 5 26.194 -6.918 18.688 1.00 24.14 C ATOM 49 C SER A 5 25.927 -7.230 17.219 1.00 3.25 C ATOM 50 O SER A 5 26.127 -6.385 16.348 1.00 33.33 O ATOM 51 CB SER A 5 24.916 -7.120 19.505 1.00 42.15 C ATOM 52 OG SER A 5 25.134 -8.018 20.579 1.00 21.35 O ATOM 0 H SER A 5 25.977 -4.833 18.736 1.00 71.30 H new ATOM 0 HA SER A 5 26.961 -7.601 19.053 1.00 24.14 H new ATOM 0 HB2 SER A 5 24.573 -6.161 19.893 1.00 42.15 H new ATOM 0 HB3 SER A 5 24.125 -7.504 18.860 1.00 42.15 H new ATOM 0 HG SER A 5 24.303 -8.129 21.087 1.00 21.35 H new ATOM 58 N MET A 6 25.474 -8.451 16.953 1.00 75.23 N ATOM 59 CA MET A 6 25.178 -8.876 15.590 1.00 52.23 C ATOM 60 C MET A 6 24.203 -10.049 15.586 1.00 55.13 C ATOM 61 O MET A 6 23.792 -10.531 16.641 1.00 24.21 O ATOM 62 CB MET A 6 26.467 -9.265 14.864 1.00 30.42 C ATOM 63 CG MET A 6 26.694 -8.495 13.573 1.00 20.24 C ATOM 64 SD MET A 6 28.302 -7.682 13.526 1.00 44.41 S ATOM 65 CE MET A 6 28.302 -7.030 11.856 1.00 11.41 C ATOM 0 H MET A 6 25.304 -9.163 17.663 1.00 75.23 H new ATOM 0 HA MET A 6 24.714 -8.040 15.067 1.00 52.23 H new ATOM 0 HB2 MET A 6 27.314 -9.099 15.530 1.00 30.42 H new ATOM 0 HB3 MET A 6 26.441 -10.332 14.641 1.00 30.42 H new ATOM 0 HG2 MET A 6 26.611 -9.178 12.727 1.00 20.24 H new ATOM 0 HG3 MET A 6 25.909 -7.747 13.457 1.00 20.24 H new ATOM 0 HE1 MET A 6 29.235 -6.497 11.673 1.00 11.41 H new ATOM 0 HE2 MET A 6 28.207 -7.851 11.145 1.00 11.41 H new ATOM 0 HE3 MET A 6 27.463 -6.345 11.733 1.00 11.41 H new ATOM 75 N ALA A 7 23.837 -10.504 14.391 1.00 51.24 N ATOM 76 CA ALA A 7 22.911 -11.621 14.251 1.00 61.43 C ATOM 77 C ALA A 7 23.160 -12.378 12.951 1.00 61.53 C ATOM 78 O ALA A 7 24.138 -12.122 12.248 1.00 53.25 O ATOM 79 CB ALA A 7 21.474 -11.127 14.310 1.00 61.12 C ATOM 0 H ALA A 7 24.168 -10.116 13.507 1.00 51.24 H new ATOM 0 HA ALA A 7 23.080 -12.308 15.080 1.00 61.43 H new ATOM 0 HB1 ALA A 7 20.794 -11.972 14.204 1.00 61.12 H new ATOM 0 HB2 ALA A 7 21.297 -10.637 15.267 1.00 61.12 H new ATOM 0 HB3 ALA A 7 21.300 -10.418 13.501 1.00 61.12 H new ATOM 85 N SER A 8 22.269 -13.314 12.637 1.00 11.33 N ATOM 86 CA SER A 8 22.394 -14.113 11.424 1.00 40.43 C ATOM 87 C SER A 8 21.184 -15.024 11.245 1.00 74.34 C ATOM 88 O SER A 8 20.369 -15.178 12.156 1.00 63.21 O ATOM 89 CB SER A 8 23.673 -14.950 11.468 1.00 42.22 C ATOM 90 OG SER A 8 24.605 -14.510 10.495 1.00 51.25 O ATOM 0 H SER A 8 21.453 -13.537 13.206 1.00 11.33 H new ATOM 0 HA SER A 8 22.443 -13.431 10.575 1.00 40.43 H new ATOM 0 HB2 SER A 8 24.120 -14.885 12.460 1.00 42.22 H new ATOM 0 HB3 SER A 8 23.431 -15.999 11.296 1.00 42.22 H new ATOM 0 HG SER A 8 24.819 -13.566 10.650 1.00 51.25 H new ATOM 96 N ALA A 9 21.071 -15.625 10.066 1.00 23.33 N ATOM 97 CA ALA A 9 19.962 -16.523 9.767 1.00 22.25 C ATOM 98 C ALA A 9 18.624 -15.812 9.930 1.00 63.44 C ATOM 99 O ALA A 9 18.007 -15.861 10.994 1.00 32.22 O ATOM 100 CB ALA A 9 20.022 -17.752 10.662 1.00 23.11 C ATOM 0 H ALA A 9 21.735 -15.506 9.301 1.00 23.33 H new ATOM 0 HA ALA A 9 20.052 -16.840 8.728 1.00 22.25 H new ATOM 0 HB1 ALA A 9 19.188 -18.414 10.428 1.00 23.11 H new ATOM 0 HB2 ALA A 9 20.961 -18.279 10.494 1.00 23.11 H new ATOM 0 HB3 ALA A 9 19.960 -17.445 11.706 1.00 23.11 H new ATOM 106 N THR A 10 18.177 -15.151 8.865 1.00 52.51 N ATOM 107 CA THR A 10 16.910 -14.430 8.890 1.00 12.34 C ATOM 108 C THR A 10 16.409 -14.150 7.479 1.00 44.02 C ATOM 109 O THR A 10 17.168 -13.707 6.616 1.00 50.54 O ATOM 110 CB THR A 10 17.040 -13.095 9.651 1.00 64.33 C ATOM 111 OG1 THR A 10 18.419 -12.814 9.915 1.00 72.11 O ATOM 112 CG2 THR A 10 16.267 -13.142 10.960 1.00 13.13 C ATOM 0 H THR A 10 18.674 -15.101 7.976 1.00 52.51 H new ATOM 0 HA THR A 10 16.193 -15.068 9.407 1.00 12.34 H new ATOM 0 HB THR A 10 16.622 -12.304 9.028 1.00 64.33 H new ATOM 0 HG1 THR A 10 18.493 -11.964 10.397 1.00 72.11 H new ATOM 0 HG21 THR A 10 16.373 -12.190 11.480 1.00 13.13 H new ATOM 0 HG22 THR A 10 15.213 -13.327 10.754 1.00 13.13 H new ATOM 0 HG23 THR A 10 16.660 -13.943 11.586 1.00 13.13 H new ATOM 120 N LEU A 11 15.128 -14.411 7.248 1.00 13.35 N ATOM 121 CA LEU A 11 14.524 -14.186 5.940 1.00 60.53 C ATOM 122 C LEU A 11 15.229 -15.009 4.867 1.00 2.41 C ATOM 123 O LEU A 11 16.195 -15.718 5.147 1.00 13.34 O ATOM 124 CB LEU A 11 14.578 -12.701 5.580 1.00 73.35 C ATOM 125 CG LEU A 11 13.286 -11.912 5.789 1.00 12.53 C ATOM 126 CD1 LEU A 11 12.181 -12.448 4.892 1.00 71.45 C ATOM 127 CD2 LEU A 11 12.860 -11.962 7.249 1.00 72.55 C ATOM 0 H LEU A 11 14.486 -14.779 7.950 1.00 13.35 H new ATOM 0 HA LEU A 11 13.482 -14.503 5.988 1.00 60.53 H new ATOM 0 HB2 LEU A 11 15.365 -12.233 6.171 1.00 73.35 H new ATOM 0 HB3 LEU A 11 14.869 -12.612 4.533 1.00 73.35 H new ATOM 0 HG LEU A 11 13.472 -10.872 5.520 1.00 12.53 H new ATOM 0 HD11 LEU A 11 11.269 -11.874 5.055 1.00 71.45 H new ATOM 0 HD12 LEU A 11 12.484 -12.359 3.849 1.00 71.45 H new ATOM 0 HD13 LEU A 11 11.997 -13.496 5.128 1.00 71.45 H new ATOM 0 HD21 LEU A 11 11.938 -11.395 7.379 1.00 72.55 H new ATOM 0 HD22 LEU A 11 12.693 -12.998 7.544 1.00 72.55 H new ATOM 0 HD23 LEU A 11 13.643 -11.529 7.872 1.00 72.55 H new ATOM 139 N GLY A 12 14.742 -14.906 3.634 1.00 34.21 N ATOM 140 CA GLY A 12 15.339 -15.645 2.537 1.00 44.13 C ATOM 141 C GLY A 12 15.505 -14.796 1.290 1.00 13.52 C ATOM 142 O GLY A 12 16.201 -13.781 1.312 1.00 71.10 O ATOM 0 H GLY A 12 13.945 -14.324 3.375 1.00 34.21 H new ATOM 0 HA2 GLY A 12 16.312 -16.026 2.846 1.00 44.13 H new ATOM 0 HA3 GLY A 12 14.718 -16.510 2.304 1.00 44.13 H new ATOM 146 N SER A 13 14.868 -15.215 0.202 1.00 44.20 N ATOM 147 CA SER A 13 14.954 -14.489 -1.060 1.00 30.42 C ATOM 148 C SER A 13 13.724 -14.755 -1.923 1.00 65.32 C ATOM 149 O SER A 13 13.342 -15.904 -2.141 1.00 21.23 O ATOM 150 CB SER A 13 16.220 -14.891 -1.819 1.00 32.13 C ATOM 151 OG SER A 13 16.042 -14.755 -3.218 1.00 3.53 O ATOM 0 H SER A 13 14.287 -16.053 0.168 1.00 44.20 H new ATOM 0 HA SER A 13 14.997 -13.423 -0.836 1.00 30.42 H new ATOM 0 HB2 SER A 13 17.055 -14.270 -1.494 1.00 32.13 H new ATOM 0 HB3 SER A 13 16.478 -15.923 -1.581 1.00 32.13 H new ATOM 0 HG SER A 13 16.866 -15.017 -3.680 1.00 3.53 H new ATOM 157 N SER A 14 13.110 -13.683 -2.415 1.00 23.25 N ATOM 158 CA SER A 14 11.923 -13.799 -3.251 1.00 75.43 C ATOM 159 C SER A 14 11.555 -12.450 -3.862 1.00 35.02 C ATOM 160 O SER A 14 11.331 -12.342 -5.068 1.00 24.34 O ATOM 161 CB SER A 14 10.747 -14.339 -2.433 1.00 63.44 C ATOM 162 OG SER A 14 10.003 -15.289 -3.177 1.00 34.31 O ATOM 0 H SER A 14 13.416 -12.724 -2.248 1.00 23.25 H new ATOM 0 HA SER A 14 12.145 -14.496 -4.059 1.00 75.43 H new ATOM 0 HB2 SER A 14 11.118 -14.799 -1.517 1.00 63.44 H new ATOM 0 HB3 SER A 14 10.098 -13.515 -2.136 1.00 63.44 H new ATOM 0 HG SER A 14 9.259 -15.620 -2.633 1.00 34.31 H new ATOM 168 N SER A 15 11.493 -11.423 -3.021 1.00 12.12 N ATOM 169 CA SER A 15 11.149 -10.082 -3.476 1.00 34.33 C ATOM 170 C SER A 15 12.403 -9.234 -3.663 1.00 54.35 C ATOM 171 O SER A 15 13.521 -9.709 -3.470 1.00 63.11 O ATOM 172 CB SER A 15 10.207 -9.408 -2.475 1.00 41.43 C ATOM 173 OG SER A 15 9.768 -10.325 -1.489 1.00 22.02 O ATOM 0 H SER A 15 11.677 -11.494 -2.020 1.00 12.12 H new ATOM 0 HA SER A 15 10.644 -10.169 -4.438 1.00 34.33 H new ATOM 0 HB2 SER A 15 10.718 -8.572 -1.997 1.00 41.43 H new ATOM 0 HB3 SER A 15 9.346 -8.996 -3.002 1.00 41.43 H new ATOM 0 HG SER A 15 9.271 -9.845 -0.794 1.00 22.02 H new ATOM 179 N SER A 16 12.206 -7.974 -4.039 1.00 55.42 N ATOM 180 CA SER A 16 13.320 -7.057 -4.255 1.00 72.41 C ATOM 181 C SER A 16 14.044 -6.763 -2.946 1.00 50.13 C ATOM 182 O SER A 16 15.143 -7.264 -2.704 1.00 51.34 O ATOM 183 CB SER A 16 12.822 -5.753 -4.881 1.00 35.43 C ATOM 184 OG SER A 16 13.860 -4.792 -4.949 1.00 14.40 O ATOM 0 H SER A 16 11.286 -7.565 -4.200 1.00 55.42 H new ATOM 0 HA SER A 16 14.023 -7.534 -4.939 1.00 72.41 H new ATOM 0 HB2 SER A 16 12.438 -5.950 -5.882 1.00 35.43 H new ATOM 0 HB3 SER A 16 11.993 -5.357 -4.294 1.00 35.43 H new ATOM 0 HG SER A 16 13.517 -3.968 -5.354 1.00 14.40 H new ATOM 190 N SER A 17 13.421 -5.945 -2.104 1.00 74.03 N ATOM 191 CA SER A 17 14.006 -5.579 -0.819 1.00 31.12 C ATOM 192 C SER A 17 13.023 -5.837 0.320 1.00 64.30 C ATOM 193 O SER A 17 12.464 -4.905 0.896 1.00 22.22 O ATOM 194 CB SER A 17 14.421 -4.106 -0.825 1.00 32.41 C ATOM 195 OG SER A 17 15.084 -3.769 -2.030 1.00 54.31 O ATOM 0 H SER A 17 12.511 -5.523 -2.288 1.00 74.03 H new ATOM 0 HA SER A 17 14.889 -6.198 -0.661 1.00 31.12 H new ATOM 0 HB2 SER A 17 13.540 -3.476 -0.702 1.00 32.41 H new ATOM 0 HB3 SER A 17 15.076 -3.906 0.023 1.00 32.41 H new ATOM 0 HG SER A 17 15.338 -2.823 -2.010 1.00 54.31 H new ATOM 201 N ALA A 18 12.818 -7.112 0.636 1.00 14.43 N ATOM 202 CA ALA A 18 11.905 -7.495 1.707 1.00 23.25 C ATOM 203 C ALA A 18 10.495 -6.985 1.434 1.00 74.13 C ATOM 204 O ALA A 18 10.263 -6.258 0.468 1.00 42.52 O ATOM 205 CB ALA A 18 12.409 -6.970 3.044 1.00 45.12 C ATOM 0 H ALA A 18 13.271 -7.896 0.166 1.00 14.43 H new ATOM 0 HA ALA A 18 11.868 -8.584 1.748 1.00 23.25 H new ATOM 0 HB1 ALA A 18 11.718 -7.263 3.834 1.00 45.12 H new ATOM 0 HB2 ALA A 18 13.394 -7.387 3.251 1.00 45.12 H new ATOM 0 HB3 ALA A 18 12.476 -5.883 3.006 1.00 45.12 H new ATOM 211 N SER A 19 9.554 -7.372 2.290 1.00 1.43 N ATOM 212 CA SER A 19 8.165 -6.958 2.138 1.00 61.31 C ATOM 213 C SER A 19 7.300 -7.533 3.257 1.00 10.21 C ATOM 214 O SER A 19 6.448 -8.394 3.038 1.00 44.22 O ATOM 215 CB SER A 19 7.623 -7.405 0.779 1.00 71.13 C ATOM 216 OG SER A 19 8.335 -8.529 0.290 1.00 52.22 O ATOM 0 H SER A 19 9.729 -7.972 3.096 1.00 1.43 H new ATOM 0 HA SER A 19 8.128 -5.870 2.196 1.00 61.31 H new ATOM 0 HB2 SER A 19 6.565 -7.652 0.869 1.00 71.13 H new ATOM 0 HB3 SER A 19 7.699 -6.584 0.066 1.00 71.13 H new ATOM 0 HG SER A 19 8.195 -9.291 0.890 1.00 52.22 H new ATOM 222 N PRO A 20 7.525 -7.046 4.487 1.00 45.43 N ATOM 223 CA PRO A 20 6.778 -7.496 5.665 1.00 43.15 C ATOM 224 C PRO A 20 5.324 -7.033 5.641 1.00 24.32 C ATOM 225 O PRO A 20 4.419 -7.785 5.999 1.00 11.42 O ATOM 226 CB PRO A 20 7.527 -6.843 6.829 1.00 32.33 C ATOM 227 CG PRO A 20 8.181 -5.643 6.235 1.00 34.42 C ATOM 228 CD PRO A 20 8.525 -6.017 4.821 1.00 63.23 C ATOM 0 HA PRO A 20 6.729 -8.583 5.727 1.00 43.15 H new ATOM 0 HB2 PRO A 20 6.845 -6.565 7.632 1.00 32.33 H new ATOM 0 HB3 PRO A 20 8.263 -7.523 7.257 1.00 32.33 H new ATOM 0 HG2 PRO A 20 7.513 -4.782 6.259 1.00 34.42 H new ATOM 0 HG3 PRO A 20 9.075 -5.369 6.795 1.00 34.42 H new ATOM 0 HD2 PRO A 20 8.459 -5.160 4.151 1.00 63.23 H new ATOM 0 HD3 PRO A 20 9.541 -6.404 4.744 1.00 63.23 H new ATOM 236 N ALA A 21 5.110 -5.794 5.214 1.00 65.23 N ATOM 237 CA ALA A 21 3.767 -5.232 5.140 1.00 52.14 C ATOM 238 C ALA A 21 2.892 -6.027 4.175 1.00 10.43 C ATOM 239 O ALA A 21 1.687 -6.166 4.385 1.00 44.25 O ATOM 240 CB ALA A 21 3.827 -3.771 4.721 1.00 60.44 C ATOM 0 H ALA A 21 5.850 -5.159 4.914 1.00 65.23 H new ATOM 0 HA ALA A 21 3.319 -5.295 6.132 1.00 52.14 H new ATOM 0 HB1 ALA A 21 2.817 -3.365 4.670 1.00 60.44 H new ATOM 0 HB2 ALA A 21 4.408 -3.207 5.450 1.00 60.44 H new ATOM 0 HB3 ALA A 21 4.299 -3.692 3.742 1.00 60.44 H new ATOM 246 N VAL A 22 3.506 -6.545 3.118 1.00 62.22 N ATOM 247 CA VAL A 22 2.784 -7.326 2.121 1.00 51.15 C ATOM 248 C VAL A 22 2.240 -8.618 2.722 1.00 51.24 C ATOM 249 O VAL A 22 1.069 -8.951 2.546 1.00 73.24 O ATOM 250 CB VAL A 22 3.684 -7.673 0.918 1.00 54.30 C ATOM 251 CG1 VAL A 22 2.876 -8.359 -0.172 1.00 74.02 C ATOM 252 CG2 VAL A 22 4.362 -6.420 0.384 1.00 30.13 C ATOM 0 H VAL A 22 4.503 -6.438 2.929 1.00 62.22 H new ATOM 0 HA VAL A 22 1.953 -6.709 1.779 1.00 51.15 H new ATOM 0 HB VAL A 22 4.458 -8.364 1.251 1.00 54.30 H new ATOM 0 HG11 VAL A 22 3.527 -8.596 -1.013 1.00 74.02 H new ATOM 0 HG12 VAL A 22 2.441 -9.278 0.221 1.00 74.02 H new ATOM 0 HG13 VAL A 22 2.079 -7.695 -0.507 1.00 74.02 H new ATOM 0 HG21 VAL A 22 4.994 -6.682 -0.465 1.00 30.13 H new ATOM 0 HG22 VAL A 22 3.604 -5.704 0.065 1.00 30.13 H new ATOM 0 HG23 VAL A 22 4.974 -5.975 1.168 1.00 30.13 H new ATOM 262 N ALA A 23 3.098 -9.340 3.434 1.00 51.21 N ATOM 263 CA ALA A 23 2.703 -10.594 4.064 1.00 50.21 C ATOM 264 C ALA A 23 1.707 -10.350 5.193 1.00 44.10 C ATOM 265 O ALA A 23 0.715 -11.067 5.322 1.00 0.43 O ATOM 266 CB ALA A 23 3.928 -11.330 4.588 1.00 73.45 C ATOM 0 H ALA A 23 4.072 -9.078 3.589 1.00 51.21 H new ATOM 0 HA ALA A 23 2.215 -11.213 3.311 1.00 50.21 H new ATOM 0 HB1 ALA A 23 3.618 -12.265 5.056 1.00 73.45 H new ATOM 0 HB2 ALA A 23 4.605 -11.545 3.761 1.00 73.45 H new ATOM 0 HB3 ALA A 23 4.439 -10.708 5.323 1.00 73.45 H new ATOM 272 N GLU A 24 1.980 -9.336 6.008 1.00 32.14 N ATOM 273 CA GLU A 24 1.107 -9.000 7.128 1.00 32.34 C ATOM 274 C GLU A 24 -0.287 -8.621 6.636 1.00 44.24 C ATOM 275 O GLU A 24 -1.290 -8.923 7.283 1.00 53.44 O ATOM 276 CB GLU A 24 1.704 -7.850 7.941 1.00 53.31 C ATOM 277 CG GLU A 24 2.361 -8.298 9.237 1.00 31.21 C ATOM 278 CD GLU A 24 3.514 -7.401 9.645 1.00 61.33 C ATOM 279 OE1 GLU A 24 3.277 -6.195 9.863 1.00 3.22 O ATOM 280 OE2 GLU A 24 4.652 -7.907 9.748 1.00 71.11 O ATOM 0 H GLU A 24 2.798 -8.733 5.914 1.00 32.14 H new ATOM 0 HA GLU A 24 1.021 -9.880 7.766 1.00 32.34 H new ATOM 0 HB2 GLU A 24 2.442 -7.329 7.331 1.00 53.31 H new ATOM 0 HB3 GLU A 24 0.917 -7.132 8.172 1.00 53.31 H new ATOM 0 HG2 GLU A 24 1.616 -8.311 10.033 1.00 31.21 H new ATOM 0 HG3 GLU A 24 2.723 -9.320 9.123 1.00 31.21 H new ATOM 287 N LEU A 25 -0.341 -7.955 5.487 1.00 20.11 N ATOM 288 CA LEU A 25 -1.611 -7.534 4.907 1.00 42.31 C ATOM 289 C LEU A 25 -2.382 -8.728 4.354 1.00 54.30 C ATOM 290 O LEU A 25 -3.599 -8.826 4.524 1.00 24.54 O ATOM 291 CB LEU A 25 -1.372 -6.509 3.797 1.00 63.11 C ATOM 292 CG LEU A 25 -1.573 -5.042 4.180 1.00 35.01 C ATOM 293 CD1 LEU A 25 -3.050 -4.680 4.149 1.00 23.31 C ATOM 294 CD2 LEU A 25 -0.984 -4.765 5.556 1.00 70.42 C ATOM 0 H LEU A 25 0.480 -7.695 4.940 1.00 20.11 H new ATOM 0 HA LEU A 25 -2.207 -7.075 5.696 1.00 42.31 H new ATOM 0 HB2 LEU A 25 -0.353 -6.631 3.431 1.00 63.11 H new ATOM 0 HB3 LEU A 25 -2.039 -6.741 2.967 1.00 63.11 H new ATOM 0 HG LEU A 25 -1.052 -4.421 3.451 1.00 35.01 H new ATOM 0 HD11 LEU A 25 -3.174 -3.633 4.424 1.00 23.31 H new ATOM 0 HD12 LEU A 25 -3.443 -4.840 3.145 1.00 23.31 H new ATOM 0 HD13 LEU A 25 -3.593 -5.307 4.856 1.00 23.31 H new ATOM 0 HD21 LEU A 25 -1.136 -3.717 5.812 1.00 70.42 H new ATOM 0 HD22 LEU A 25 -1.477 -5.395 6.296 1.00 70.42 H new ATOM 0 HD23 LEU A 25 0.084 -4.985 5.546 1.00 70.42 H new ATOM 306 N CYS A 26 -1.667 -9.634 3.697 1.00 13.03 N ATOM 307 CA CYS A 26 -2.283 -10.824 3.121 1.00 55.12 C ATOM 308 C CYS A 26 -2.941 -11.673 4.204 1.00 3.12 C ATOM 309 O CYS A 26 -3.776 -12.527 3.912 1.00 35.44 O ATOM 310 CB CYS A 26 -1.240 -11.651 2.370 1.00 74.24 C ATOM 311 SG CYS A 26 -1.934 -13.015 1.407 1.00 70.25 S ATOM 0 H CYS A 26 -0.660 -9.567 3.550 1.00 13.03 H new ATOM 0 HA CYS A 26 -3.053 -10.502 2.420 1.00 55.12 H new ATOM 0 HB2 CYS A 26 -0.684 -10.994 1.701 1.00 74.24 H new ATOM 0 HB3 CYS A 26 -0.526 -12.054 3.088 1.00 74.24 H new ATOM 0 HG CYS A 26 -3.024 -13.438 1.976 1.00 70.25 H new ATOM 317 N GLN A 27 -2.556 -11.433 5.453 1.00 12.21 N ATOM 318 CA GLN A 27 -3.107 -12.177 6.579 1.00 53.10 C ATOM 319 C GLN A 27 -4.609 -11.943 6.704 1.00 31.20 C ATOM 320 O GLN A 27 -5.309 -12.695 7.382 1.00 21.14 O ATOM 321 CB GLN A 27 -2.405 -11.774 7.877 1.00 73.21 C ATOM 322 CG GLN A 27 -0.894 -11.917 7.822 1.00 23.30 C ATOM 323 CD GLN A 27 -0.261 -11.965 9.199 1.00 34.30 C ATOM 324 OE1 GLN A 27 -0.909 -11.666 10.203 1.00 22.44 O ATOM 325 NE2 GLN A 27 1.012 -12.343 9.253 1.00 34.21 N ATOM 0 H GLN A 27 -1.864 -10.729 5.711 1.00 12.21 H new ATOM 0 HA GLN A 27 -2.938 -13.238 6.398 1.00 53.10 H new ATOM 0 HB2 GLN A 27 -2.655 -10.739 8.109 1.00 73.21 H new ATOM 0 HB3 GLN A 27 -2.790 -12.386 8.693 1.00 73.21 H new ATOM 0 HG2 GLN A 27 -0.639 -12.826 7.277 1.00 23.30 H new ATOM 0 HG3 GLN A 27 -0.474 -11.081 7.262 1.00 23.30 H new ATOM 0 HE21 GLN A 27 1.510 -12.582 8.395 1.00 34.21 H new ATOM 0 HE22 GLN A 27 1.491 -12.394 10.152 1.00 34.21 H new ATOM 334 N ASN A 28 -5.096 -10.897 6.045 1.00 53.11 N ATOM 335 CA ASN A 28 -6.516 -10.564 6.084 1.00 1.24 C ATOM 336 C ASN A 28 -7.258 -11.205 4.915 1.00 2.35 C ATOM 337 O ASN A 28 -8.204 -11.968 5.107 1.00 13.43 O ATOM 338 CB ASN A 28 -6.705 -9.047 6.054 1.00 52.14 C ATOM 339 CG ASN A 28 -8.128 -8.635 6.384 1.00 10.23 C ATOM 340 OD1 ASN A 28 -8.716 -9.119 7.350 1.00 74.55 O ATOM 341 ND2 ASN A 28 -8.684 -7.737 5.581 1.00 50.30 N ATOM 0 H ASN A 28 -4.530 -10.266 5.478 1.00 53.11 H new ATOM 0 HA ASN A 28 -6.931 -10.957 7.012 1.00 1.24 H new ATOM 0 HB2 ASN A 28 -6.021 -8.584 6.766 1.00 52.14 H new ATOM 0 HB3 ASN A 28 -6.440 -8.670 5.066 1.00 52.14 H new ATOM 0 HD21 ASN A 28 -9.638 -7.420 5.753 1.00 50.30 H new ATOM 0 HD22 ASN A 28 -8.157 -7.363 4.792 1.00 50.30 H new ATOM 348 N THR A 29 -6.818 -10.889 3.700 1.00 54.32 N ATOM 349 CA THR A 29 -7.441 -11.432 2.498 1.00 2.50 C ATOM 350 C THR A 29 -6.647 -11.058 1.252 1.00 74.12 C ATOM 351 O THR A 29 -5.999 -10.013 1.189 1.00 15.33 O ATOM 352 CB THR A 29 -8.890 -10.932 2.340 1.00 42.00 C ATOM 353 OG1 THR A 29 -9.174 -9.934 3.327 1.00 24.14 O ATOM 354 CG2 THR A 29 -9.877 -12.082 2.475 1.00 4.03 C ATOM 0 H THR A 29 -6.034 -10.261 3.523 1.00 54.32 H new ATOM 0 HA THR A 29 -7.450 -12.516 2.609 1.00 2.50 H new ATOM 0 HB THR A 29 -8.995 -10.499 1.345 1.00 42.00 H new ATOM 0 HG1 THR A 29 -10.144 -9.850 3.438 1.00 24.14 H new ATOM 0 HG21 THR A 29 -10.893 -11.705 2.360 1.00 4.03 H new ATOM 0 HG22 THR A 29 -9.677 -12.826 1.704 1.00 4.03 H new ATOM 0 HG23 THR A 29 -9.769 -12.540 3.458 1.00 4.03 H new ATOM 362 N PRO A 30 -6.698 -11.929 0.234 1.00 63.13 N ATOM 363 CA PRO A 30 -5.990 -11.710 -1.031 1.00 64.14 C ATOM 364 C PRO A 30 -6.596 -10.571 -1.846 1.00 32.41 C ATOM 365 O PRO A 30 -5.891 -9.661 -2.275 1.00 44.41 O ATOM 366 CB PRO A 30 -6.157 -13.042 -1.767 1.00 40.30 C ATOM 367 CG PRO A 30 -7.401 -13.634 -1.199 1.00 63.11 C ATOM 368 CD PRO A 30 -7.451 -13.194 0.238 1.00 42.13 C ATOM 0 HA PRO A 30 -4.951 -11.423 -0.871 1.00 64.14 H new ATOM 0 HB2 PRO A 30 -6.245 -12.892 -2.843 1.00 40.30 H new ATOM 0 HB3 PRO A 30 -5.299 -13.694 -1.606 1.00 40.30 H new ATOM 0 HG2 PRO A 30 -8.281 -13.290 -1.743 1.00 63.11 H new ATOM 0 HG3 PRO A 30 -7.385 -14.721 -1.274 1.00 63.11 H new ATOM 0 HD2 PRO A 30 -8.476 -13.050 0.579 1.00 42.13 H new ATOM 0 HD3 PRO A 30 -6.996 -13.931 0.900 1.00 42.13 H new ATOM 376 N GLU A 31 -7.908 -10.633 -2.055 1.00 25.13 N ATOM 377 CA GLU A 31 -8.608 -9.606 -2.819 1.00 33.24 C ATOM 378 C GLU A 31 -8.607 -8.276 -2.069 1.00 22.30 C ATOM 379 O GLU A 31 -8.490 -7.210 -2.675 1.00 54.00 O ATOM 380 CB GLU A 31 -10.046 -10.043 -3.102 1.00 74.44 C ATOM 381 CG GLU A 31 -10.804 -9.089 -4.010 1.00 50.42 C ATOM 382 CD GLU A 31 -10.856 -9.568 -5.447 1.00 42.04 C ATOM 383 OE1 GLU A 31 -9.779 -9.776 -6.043 1.00 62.22 O ATOM 384 OE2 GLU A 31 -11.975 -9.734 -5.976 1.00 41.22 O ATOM 0 H GLU A 31 -8.506 -11.382 -1.707 1.00 25.13 H new ATOM 0 HA GLU A 31 -8.084 -9.471 -3.765 1.00 33.24 H new ATOM 0 HB2 GLU A 31 -10.033 -11.033 -3.559 1.00 74.44 H new ATOM 0 HB3 GLU A 31 -10.582 -10.135 -2.157 1.00 74.44 H new ATOM 0 HG2 GLU A 31 -11.820 -8.967 -3.635 1.00 50.42 H new ATOM 0 HG3 GLU A 31 -10.331 -8.108 -3.975 1.00 50.42 H new ATOM 391 N THR A 32 -8.738 -8.347 -0.748 1.00 73.04 N ATOM 392 CA THR A 32 -8.755 -7.149 0.082 1.00 2.45 C ATOM 393 C THR A 32 -7.383 -6.484 0.116 1.00 11.12 C ATOM 394 O THR A 32 -7.274 -5.260 0.047 1.00 0.32 O ATOM 395 CB THR A 32 -9.190 -7.473 1.524 1.00 1.23 C ATOM 396 OG1 THR A 32 -10.535 -7.965 1.531 1.00 24.04 O ATOM 397 CG2 THR A 32 -9.092 -6.239 2.408 1.00 4.32 C ATOM 0 H THR A 32 -8.834 -9.221 -0.230 1.00 73.04 H new ATOM 0 HA THR A 32 -9.477 -6.465 -0.364 1.00 2.45 H new ATOM 0 HB THR A 32 -8.522 -8.238 1.919 1.00 1.23 H new ATOM 0 HG1 THR A 32 -10.803 -8.170 2.451 1.00 24.04 H new ATOM 0 HG21 THR A 32 -9.404 -6.492 3.421 1.00 4.32 H new ATOM 0 HG22 THR A 32 -8.062 -5.883 2.424 1.00 4.32 H new ATOM 0 HG23 THR A 32 -9.740 -5.456 2.013 1.00 4.32 H new ATOM 405 N PHE A 33 -6.338 -7.298 0.219 1.00 1.12 N ATOM 406 CA PHE A 33 -4.972 -6.788 0.261 1.00 74.31 C ATOM 407 C PHE A 33 -4.596 -6.132 -1.064 1.00 0.20 C ATOM 408 O PHE A 33 -3.908 -5.112 -1.092 1.00 43.20 O ATOM 409 CB PHE A 33 -3.992 -7.919 0.580 1.00 55.13 C ATOM 410 CG PHE A 33 -2.609 -7.681 0.046 1.00 24.45 C ATOM 411 CD1 PHE A 33 -1.897 -6.549 0.408 1.00 14.31 C ATOM 412 CD2 PHE A 33 -2.019 -8.590 -0.818 1.00 61.12 C ATOM 413 CE1 PHE A 33 -0.623 -6.326 -0.080 1.00 72.45 C ATOM 414 CE2 PHE A 33 -0.746 -8.374 -1.308 1.00 63.03 C ATOM 415 CZ PHE A 33 -0.048 -7.240 -0.940 1.00 43.41 C ATOM 0 H PHE A 33 -6.411 -8.314 0.275 1.00 1.12 H new ATOM 0 HA PHE A 33 -4.915 -6.036 1.048 1.00 74.31 H new ATOM 0 HB2 PHE A 33 -3.938 -8.049 1.661 1.00 55.13 H new ATOM 0 HB3 PHE A 33 -4.377 -8.851 0.166 1.00 55.13 H new ATOM 0 HD1 PHE A 33 -2.343 -5.831 1.080 1.00 14.31 H new ATOM 0 HD2 PHE A 33 -2.561 -9.477 -1.111 1.00 61.12 H new ATOM 0 HE1 PHE A 33 -0.079 -5.439 0.211 1.00 72.45 H new ATOM 0 HE2 PHE A 33 -0.296 -9.091 -1.979 1.00 63.03 H new ATOM 0 HZ PHE A 33 0.947 -7.069 -1.325 1.00 43.41 H new ATOM 425 N LEU A 34 -5.052 -6.726 -2.162 1.00 53.00 N ATOM 426 CA LEU A 34 -4.764 -6.201 -3.492 1.00 21.02 C ATOM 427 C LEU A 34 -5.270 -4.769 -3.634 1.00 2.23 C ATOM 428 O LEU A 34 -4.551 -3.891 -4.112 1.00 74.22 O ATOM 429 CB LEU A 34 -5.403 -7.087 -4.562 1.00 32.42 C ATOM 430 CG LEU A 34 -4.454 -7.656 -5.617 1.00 41.21 C ATOM 431 CD1 LEU A 34 -3.886 -6.540 -6.481 1.00 60.43 C ATOM 432 CD2 LEU A 34 -3.333 -8.444 -4.956 1.00 24.44 C ATOM 0 H LEU A 34 -5.623 -7.571 -2.157 1.00 53.00 H new ATOM 0 HA LEU A 34 -3.683 -6.200 -3.628 1.00 21.02 H new ATOM 0 HB2 LEU A 34 -5.903 -7.919 -4.065 1.00 32.42 H new ATOM 0 HB3 LEU A 34 -6.175 -6.509 -5.070 1.00 32.42 H new ATOM 0 HG LEU A 34 -5.018 -8.333 -6.258 1.00 41.21 H new ATOM 0 HD11 LEU A 34 -3.213 -6.964 -7.226 1.00 60.43 H new ATOM 0 HD12 LEU A 34 -4.701 -6.018 -6.983 1.00 60.43 H new ATOM 0 HD13 LEU A 34 -3.337 -5.838 -5.854 1.00 60.43 H new ATOM 0 HD21 LEU A 34 -2.667 -8.842 -5.722 1.00 24.44 H new ATOM 0 HD22 LEU A 34 -2.771 -7.789 -4.291 1.00 24.44 H new ATOM 0 HD23 LEU A 34 -3.757 -9.267 -4.381 1.00 24.44 H new ATOM 444 N GLU A 35 -6.509 -4.541 -3.212 1.00 50.02 N ATOM 445 CA GLU A 35 -7.110 -3.214 -3.291 1.00 41.52 C ATOM 446 C GLU A 35 -6.531 -2.289 -2.224 1.00 30.40 C ATOM 447 O GLU A 35 -6.194 -1.139 -2.500 1.00 62.23 O ATOM 448 CB GLU A 35 -8.629 -3.308 -3.130 1.00 43.24 C ATOM 449 CG GLU A 35 -9.394 -3.048 -4.417 1.00 55.32 C ATOM 450 CD GLU A 35 -8.940 -3.941 -5.556 1.00 25.21 C ATOM 451 OE1 GLU A 35 -8.557 -5.099 -5.285 1.00 1.52 O ATOM 452 OE2 GLU A 35 -8.965 -3.483 -6.718 1.00 15.23 O ATOM 0 H GLU A 35 -7.116 -5.257 -2.812 1.00 50.02 H new ATOM 0 HA GLU A 35 -6.880 -2.797 -4.272 1.00 41.52 H new ATOM 0 HB2 GLU A 35 -8.886 -4.300 -2.758 1.00 43.24 H new ATOM 0 HB3 GLU A 35 -8.951 -2.591 -2.375 1.00 43.24 H new ATOM 0 HG2 GLU A 35 -10.458 -3.203 -4.240 1.00 55.32 H new ATOM 0 HG3 GLU A 35 -9.268 -2.005 -4.706 1.00 55.32 H new ATOM 459 N ALA A 36 -6.417 -2.803 -1.002 1.00 72.51 N ATOM 460 CA ALA A 36 -5.878 -2.026 0.106 1.00 0.40 C ATOM 461 C ALA A 36 -4.445 -1.589 -0.176 1.00 52.03 C ATOM 462 O ALA A 36 -3.986 -0.566 0.332 1.00 20.25 O ATOM 463 CB ALA A 36 -5.943 -2.830 1.395 1.00 21.21 C ATOM 0 H ALA A 36 -6.691 -3.754 -0.756 1.00 72.51 H new ATOM 0 HA ALA A 36 -6.488 -1.129 0.219 1.00 0.40 H new ATOM 0 HB1 ALA A 36 -5.537 -2.237 2.215 1.00 21.21 H new ATOM 0 HB2 ALA A 36 -6.980 -3.087 1.612 1.00 21.21 H new ATOM 0 HB3 ALA A 36 -5.359 -3.743 1.284 1.00 21.21 H new ATOM 469 N SER A 37 -3.742 -2.371 -0.990 1.00 15.44 N ATOM 470 CA SER A 37 -2.358 -2.067 -1.337 1.00 14.55 C ATOM 471 C SER A 37 -2.292 -1.016 -2.441 1.00 74.24 C ATOM 472 O SER A 37 -1.512 -0.067 -2.365 1.00 11.11 O ATOM 473 CB SER A 37 -1.631 -3.337 -1.780 1.00 43.13 C ATOM 474 OG SER A 37 -2.074 -3.757 -3.061 1.00 0.50 O ATOM 0 H SER A 37 -4.108 -3.220 -1.421 1.00 15.44 H new ATOM 0 HA SER A 37 -1.866 -1.667 -0.450 1.00 14.55 H new ATOM 0 HB2 SER A 37 -0.557 -3.155 -1.805 1.00 43.13 H new ATOM 0 HB3 SER A 37 -1.803 -4.131 -1.053 1.00 43.13 H new ATOM 0 HG SER A 37 -3.051 -3.694 -3.106 1.00 0.50 H new ATOM 480 N LYS A 38 -3.118 -1.193 -3.466 1.00 22.54 N ATOM 481 CA LYS A 38 -3.157 -0.262 -4.588 1.00 2.14 C ATOM 482 C LYS A 38 -3.478 1.150 -4.111 1.00 12.31 C ATOM 483 O LYS A 38 -2.888 2.125 -4.578 1.00 60.52 O ATOM 484 CB LYS A 38 -4.194 -0.713 -5.618 1.00 74.30 C ATOM 485 CG LYS A 38 -3.995 -0.101 -6.992 1.00 11.42 C ATOM 486 CD LYS A 38 -5.301 -0.026 -7.765 1.00 54.12 C ATOM 487 CE LYS A 38 -6.137 1.170 -7.333 1.00 3.31 C ATOM 488 NZ LYS A 38 -7.556 0.794 -7.084 1.00 25.43 N ATOM 0 H LYS A 38 -3.770 -1.973 -3.543 1.00 22.54 H new ATOM 0 HA LYS A 38 -2.172 -0.254 -5.055 1.00 2.14 H new ATOM 0 HB2 LYS A 38 -4.158 -1.799 -5.705 1.00 74.30 H new ATOM 0 HB3 LYS A 38 -5.189 -0.455 -5.256 1.00 74.30 H new ATOM 0 HG2 LYS A 38 -3.575 0.899 -6.888 1.00 11.42 H new ATOM 0 HG3 LYS A 38 -3.273 -0.693 -7.554 1.00 11.42 H new ATOM 0 HD2 LYS A 38 -5.090 0.043 -8.832 1.00 54.12 H new ATOM 0 HD3 LYS A 38 -5.869 -0.943 -7.611 1.00 54.12 H new ATOM 0 HE2 LYS A 38 -5.712 1.602 -6.427 1.00 3.31 H new ATOM 0 HE3 LYS A 38 -6.095 1.940 -8.104 1.00 3.31 H new ATOM 0 HZ1 LYS A 38 -8.092 1.636 -6.792 1.00 25.43 H new ATOM 0 HZ2 LYS A 38 -7.970 0.405 -7.955 1.00 25.43 H new ATOM 0 HZ3 LYS A 38 -7.598 0.078 -6.331 1.00 25.43 H new ATOM 502 N LEU A 39 -4.418 1.254 -3.177 1.00 1.25 N ATOM 503 CA LEU A 39 -4.818 2.548 -2.635 1.00 3.05 C ATOM 504 C LEU A 39 -3.632 3.260 -1.992 1.00 22.14 C ATOM 505 O LEU A 39 -3.407 4.448 -2.222 1.00 43.34 O ATOM 506 CB LEU A 39 -5.937 2.369 -1.608 1.00 1.52 C ATOM 507 CG LEU A 39 -7.323 2.059 -2.172 1.00 70.44 C ATOM 508 CD1 LEU A 39 -7.952 0.888 -1.433 1.00 22.24 C ATOM 509 CD2 LEU A 39 -8.220 3.285 -2.092 1.00 52.05 C ATOM 0 H LEU A 39 -4.917 0.458 -2.780 1.00 1.25 H new ATOM 0 HA LEU A 39 -5.183 3.161 -3.459 1.00 3.05 H new ATOM 0 HB2 LEU A 39 -5.655 1.564 -0.930 1.00 1.52 H new ATOM 0 HB3 LEU A 39 -6.005 3.279 -1.012 1.00 1.52 H new ATOM 0 HG LEU A 39 -7.212 1.783 -3.221 1.00 70.44 H new ATOM 0 HD11 LEU A 39 -8.938 0.683 -1.849 1.00 22.24 H new ATOM 0 HD12 LEU A 39 -7.321 0.006 -1.544 1.00 22.24 H new ATOM 0 HD13 LEU A 39 -8.048 1.135 -0.376 1.00 22.24 H new ATOM 0 HD21 LEU A 39 -9.202 3.044 -2.498 1.00 52.05 H new ATOM 0 HD22 LEU A 39 -8.323 3.593 -1.052 1.00 52.05 H new ATOM 0 HD23 LEU A 39 -7.778 4.097 -2.669 1.00 52.05 H new ATOM 521 N LEU A 40 -2.873 2.524 -1.187 1.00 21.33 N ATOM 522 CA LEU A 40 -1.708 3.084 -0.512 1.00 3.14 C ATOM 523 C LEU A 40 -0.658 3.536 -1.522 1.00 43.43 C ATOM 524 O LEU A 40 -0.021 4.577 -1.349 1.00 35.32 O ATOM 525 CB LEU A 40 -1.101 2.052 0.443 1.00 64.25 C ATOM 526 CG LEU A 40 -1.576 2.121 1.895 1.00 63.05 C ATOM 527 CD1 LEU A 40 -2.070 0.759 2.360 1.00 42.13 C ATOM 528 CD2 LEU A 40 -0.460 2.623 2.797 1.00 31.12 C ATOM 0 H LEU A 40 -3.044 1.539 -0.986 1.00 21.33 H new ATOM 0 HA LEU A 40 -2.034 3.953 0.060 1.00 3.14 H new ATOM 0 HB2 LEU A 40 -1.320 1.056 0.057 1.00 64.25 H new ATOM 0 HB3 LEU A 40 -0.017 2.168 0.430 1.00 64.25 H new ATOM 0 HG LEU A 40 -2.406 2.825 1.953 1.00 63.05 H new ATOM 0 HD11 LEU A 40 -2.404 0.827 3.395 1.00 42.13 H new ATOM 0 HD12 LEU A 40 -2.901 0.439 1.731 1.00 42.13 H new ATOM 0 HD13 LEU A 40 -1.260 0.034 2.287 1.00 42.13 H new ATOM 0 HD21 LEU A 40 -0.816 2.666 3.826 1.00 31.12 H new ATOM 0 HD22 LEU A 40 0.391 1.945 2.735 1.00 31.12 H new ATOM 0 HD23 LEU A 40 -0.154 3.619 2.477 1.00 31.12 H new ATOM 540 N LEU A 41 -0.484 2.751 -2.579 1.00 33.52 N ATOM 541 CA LEU A 41 0.486 3.071 -3.621 1.00 10.40 C ATOM 542 C LEU A 41 0.146 4.398 -4.291 1.00 44.44 C ATOM 543 O LEU A 41 1.010 5.256 -4.470 1.00 65.12 O ATOM 544 CB LEU A 41 0.530 1.954 -4.665 1.00 52.54 C ATOM 545 CG LEU A 41 1.367 2.236 -5.913 1.00 15.30 C ATOM 546 CD1 LEU A 41 0.556 3.020 -6.933 1.00 42.24 C ATOM 547 CD2 LEU A 41 2.636 2.991 -5.546 1.00 33.34 C ATOM 0 H LEU A 41 -1.003 1.887 -2.738 1.00 33.52 H new ATOM 0 HA LEU A 41 1.467 3.162 -3.155 1.00 10.40 H new ATOM 0 HB2 LEU A 41 0.917 1.053 -4.188 1.00 52.54 H new ATOM 0 HB3 LEU A 41 -0.491 1.736 -4.978 1.00 52.54 H new ATOM 0 HG LEU A 41 1.651 1.283 -6.359 1.00 15.30 H new ATOM 0 HD11 LEU A 41 1.168 3.212 -7.815 1.00 42.24 H new ATOM 0 HD12 LEU A 41 -0.323 2.443 -7.220 1.00 42.24 H new ATOM 0 HD13 LEU A 41 0.241 3.968 -6.497 1.00 42.24 H new ATOM 0 HD21 LEU A 41 3.219 3.183 -6.447 1.00 33.34 H new ATOM 0 HD22 LEU A 41 2.373 3.938 -5.076 1.00 33.34 H new ATOM 0 HD23 LEU A 41 3.227 2.393 -4.852 1.00 33.34 H new ATOM 559 N THR A 42 -1.122 4.562 -4.659 1.00 22.41 N ATOM 560 CA THR A 42 -1.577 5.784 -5.309 1.00 43.53 C ATOM 561 C THR A 42 -1.409 6.990 -4.393 1.00 55.12 C ATOM 562 O THR A 42 -0.960 8.053 -4.824 1.00 52.02 O ATOM 563 CB THR A 42 -3.053 5.678 -5.735 1.00 55.34 C ATOM 564 OG1 THR A 42 -3.206 4.656 -6.727 1.00 10.45 O ATOM 565 CG2 THR A 42 -3.554 7.004 -6.285 1.00 60.01 C ATOM 0 H THR A 42 -1.851 3.863 -4.517 1.00 22.41 H new ATOM 0 HA THR A 42 -0.959 5.918 -6.197 1.00 43.53 H new ATOM 0 HB THR A 42 -3.644 5.421 -4.856 1.00 55.34 H new ATOM 0 HG1 THR A 42 -4.148 4.594 -6.991 1.00 10.45 H new ATOM 0 HG21 THR A 42 -4.599 6.904 -6.579 1.00 60.01 H new ATOM 0 HG22 THR A 42 -3.465 7.773 -5.518 1.00 60.01 H new ATOM 0 HG23 THR A 42 -2.958 7.286 -7.153 1.00 60.01 H new ATOM 573 N TYR A 43 -1.770 6.819 -3.126 1.00 52.22 N ATOM 574 CA TYR A 43 -1.662 7.894 -2.149 1.00 51.50 C ATOM 575 C TYR A 43 -0.206 8.304 -1.950 1.00 52.54 C ATOM 576 O TYR A 43 0.116 9.492 -1.904 1.00 72.15 O ATOM 577 CB TYR A 43 -2.267 7.460 -0.812 1.00 40.54 C ATOM 578 CG TYR A 43 -3.776 7.370 -0.831 1.00 63.41 C ATOM 579 CD1 TYR A 43 -4.543 8.357 -1.440 1.00 34.21 C ATOM 580 CD2 TYR A 43 -4.437 6.299 -0.243 1.00 41.40 C ATOM 581 CE1 TYR A 43 -5.922 8.280 -1.460 1.00 73.44 C ATOM 582 CE2 TYR A 43 -5.815 6.212 -0.258 1.00 64.13 C ATOM 583 CZ TYR A 43 -6.553 7.204 -0.869 1.00 14.23 C ATOM 584 OH TYR A 43 -7.926 7.123 -0.886 1.00 72.43 O ATOM 0 H TYR A 43 -2.140 5.945 -2.752 1.00 52.22 H new ATOM 0 HA TYR A 43 -2.215 8.753 -2.529 1.00 51.50 H new ATOM 0 HB2 TYR A 43 -1.857 6.489 -0.535 1.00 40.54 H new ATOM 0 HB3 TYR A 43 -1.963 8.166 -0.039 1.00 40.54 H new ATOM 0 HD1 TYR A 43 -4.052 9.199 -1.906 1.00 34.21 H new ATOM 0 HD2 TYR A 43 -3.862 5.520 0.235 1.00 41.40 H new ATOM 0 HE1 TYR A 43 -6.503 9.057 -1.935 1.00 73.44 H new ATOM 0 HE2 TYR A 43 -6.312 5.373 0.206 1.00 64.13 H new ATOM 0 HH TYR A 43 -8.278 7.349 0.000 1.00 72.43 H new ATOM 594 N ALA A 44 0.671 7.314 -1.832 1.00 33.23 N ATOM 595 CA ALA A 44 2.094 7.570 -1.642 1.00 74.03 C ATOM 596 C ALA A 44 2.714 8.176 -2.896 1.00 13.14 C ATOM 597 O ALA A 44 3.676 8.941 -2.816 1.00 40.12 O ATOM 598 CB ALA A 44 2.814 6.285 -1.261 1.00 43.32 C ATOM 0 H ALA A 44 0.422 6.326 -1.865 1.00 33.23 H new ATOM 0 HA ALA A 44 2.205 8.289 -0.831 1.00 74.03 H new ATOM 0 HB1 ALA A 44 3.875 6.490 -1.122 1.00 43.32 H new ATOM 0 HB2 ALA A 44 2.395 5.895 -0.333 1.00 43.32 H new ATOM 0 HB3 ALA A 44 2.688 5.548 -2.054 1.00 43.32 H new ATOM 604 N ASP A 45 2.160 7.830 -4.052 1.00 30.24 N ATOM 605 CA ASP A 45 2.660 8.340 -5.323 1.00 64.43 C ATOM 606 C ASP A 45 2.615 9.865 -5.352 1.00 2.22 C ATOM 607 O ASP A 45 3.507 10.510 -5.900 1.00 53.44 O ATOM 608 CB ASP A 45 1.840 7.772 -6.483 1.00 41.33 C ATOM 609 CG ASP A 45 2.701 7.048 -7.499 1.00 24.43 C ATOM 610 OD1 ASP A 45 3.748 7.604 -7.893 1.00 62.12 O ATOM 611 OD2 ASP A 45 2.328 5.926 -7.903 1.00 21.14 O ATOM 0 H ASP A 45 1.364 7.198 -4.135 1.00 30.24 H new ATOM 0 HA ASP A 45 3.697 8.022 -5.431 1.00 64.43 H new ATOM 0 HB2 ASP A 45 1.089 7.085 -6.092 1.00 41.33 H new ATOM 0 HB3 ASP A 45 1.304 8.583 -6.977 1.00 41.33 H new ATOM 616 N ASN A 46 1.570 10.432 -4.758 1.00 44.22 N ATOM 617 CA ASN A 46 1.409 11.880 -4.717 1.00 0.42 C ATOM 618 C ASN A 46 2.562 12.536 -3.963 1.00 22.32 C ATOM 619 O ASN A 46 3.157 13.504 -4.437 1.00 23.23 O ATOM 620 CB ASN A 46 0.079 12.248 -4.055 1.00 0.01 C ATOM 621 CG ASN A 46 -1.112 11.932 -4.938 1.00 73.11 C ATOM 622 OD1 ASN A 46 -2.056 11.266 -4.511 1.00 72.34 O ATOM 623 ND2 ASN A 46 -1.074 12.410 -6.176 1.00 70.25 N ATOM 0 H ASN A 46 0.823 9.911 -4.299 1.00 44.22 H new ATOM 0 HA ASN A 46 1.412 12.249 -5.743 1.00 0.42 H new ATOM 0 HB2 ASN A 46 -0.017 11.708 -3.113 1.00 0.01 H new ATOM 0 HB3 ASN A 46 0.078 13.311 -3.814 1.00 0.01 H new ATOM 0 HD21 ASN A 46 -1.848 12.230 -6.816 1.00 70.25 H new ATOM 0 HD22 ASN A 46 -0.271 12.957 -6.487 1.00 70.25 H new ATOM 630 N ILE A 47 2.874 12.000 -2.788 1.00 61.43 N ATOM 631 CA ILE A 47 3.958 12.531 -1.970 1.00 52.14 C ATOM 632 C ILE A 47 5.309 12.322 -2.644 1.00 74.05 C ATOM 633 O ILE A 47 6.182 13.190 -2.593 1.00 33.23 O ATOM 634 CB ILE A 47 3.985 11.875 -0.577 1.00 70.11 C ATOM 635 CG1 ILE A 47 2.743 12.274 0.224 1.00 45.54 C ATOM 636 CG2 ILE A 47 5.251 12.267 0.169 1.00 40.40 C ATOM 637 CD1 ILE A 47 1.584 11.317 0.062 1.00 41.14 C ATOM 0 H ILE A 47 2.392 11.199 -2.381 1.00 61.43 H new ATOM 0 HA ILE A 47 3.773 13.599 -1.856 1.00 52.14 H new ATOM 0 HB ILE A 47 3.981 10.792 -0.702 1.00 70.11 H new ATOM 0 HG12 ILE A 47 3.007 12.336 1.280 1.00 45.54 H new ATOM 0 HG13 ILE A 47 2.426 13.270 -0.085 1.00 45.54 H new ATOM 0 HG21 ILE A 47 5.255 11.795 1.152 1.00 40.40 H new ATOM 0 HG22 ILE A 47 6.123 11.937 -0.396 1.00 40.40 H new ATOM 0 HG23 ILE A 47 5.284 13.350 0.286 1.00 40.40 H new ATOM 0 HD11 ILE A 47 0.740 11.664 0.658 1.00 41.14 H new ATOM 0 HD12 ILE A 47 1.293 11.272 -0.988 1.00 41.14 H new ATOM 0 HD13 ILE A 47 1.882 10.324 0.398 1.00 41.14 H new ATOM 649 N LEU A 48 5.476 11.166 -3.278 1.00 34.01 N ATOM 650 CA LEU A 48 6.720 10.843 -3.965 1.00 1.32 C ATOM 651 C LEU A 48 6.908 11.724 -5.197 1.00 13.12 C ATOM 652 O LEU A 48 8.028 12.102 -5.536 1.00 73.43 O ATOM 653 CB LEU A 48 6.733 9.369 -4.373 1.00 33.11 C ATOM 654 CG LEU A 48 6.550 8.358 -3.240 1.00 34.34 C ATOM 655 CD1 LEU A 48 5.833 7.115 -3.744 1.00 73.12 C ATOM 656 CD2 LEU A 48 7.896 7.990 -2.631 1.00 33.33 C ATOM 0 H LEU A 48 4.764 10.437 -3.330 1.00 34.01 H new ATOM 0 HA LEU A 48 7.544 11.031 -3.277 1.00 1.32 H new ATOM 0 HB2 LEU A 48 5.943 9.209 -5.107 1.00 33.11 H new ATOM 0 HB3 LEU A 48 7.679 9.159 -4.871 1.00 33.11 H new ATOM 0 HG LEU A 48 5.936 8.817 -2.465 1.00 34.34 H new ATOM 0 HD11 LEU A 48 5.712 6.407 -2.924 1.00 73.12 H new ATOM 0 HD12 LEU A 48 4.853 7.392 -4.132 1.00 73.12 H new ATOM 0 HD13 LEU A 48 6.420 6.653 -4.538 1.00 73.12 H new ATOM 0 HD21 LEU A 48 7.747 7.270 -1.827 1.00 33.33 H new ATOM 0 HD22 LEU A 48 8.534 7.551 -3.398 1.00 33.33 H new ATOM 0 HD23 LEU A 48 8.372 8.886 -2.232 1.00 33.33 H new ATOM 668 N ARG A 49 5.801 12.049 -5.859 1.00 44.52 N ATOM 669 CA ARG A 49 5.844 12.887 -7.052 1.00 75.11 C ATOM 670 C ARG A 49 6.166 14.333 -6.689 1.00 54.33 C ATOM 671 O ARG A 49 6.935 14.999 -7.378 1.00 5.44 O ATOM 672 CB ARG A 49 4.508 12.821 -7.794 1.00 32.54 C ATOM 673 CG ARG A 49 4.338 11.562 -8.629 1.00 71.31 C ATOM 674 CD ARG A 49 5.387 11.475 -9.727 1.00 35.04 C ATOM 675 NE ARG A 49 5.527 12.736 -10.451 1.00 73.54 N ATOM 676 CZ ARG A 49 4.641 13.175 -11.337 1.00 52.15 C ATOM 677 NH1 ARG A 49 3.556 12.461 -11.606 1.00 41.24 N ATOM 678 NH2 ARG A 49 4.838 14.331 -11.957 1.00 50.44 N ATOM 0 H ARG A 49 4.865 11.745 -5.590 1.00 44.52 H new ATOM 0 HA ARG A 49 6.633 12.510 -7.703 1.00 75.11 H new ATOM 0 HB2 ARG A 49 3.696 12.879 -7.069 1.00 32.54 H new ATOM 0 HB3 ARG A 49 4.419 13.692 -8.443 1.00 32.54 H new ATOM 0 HG2 ARG A 49 4.410 10.685 -7.986 1.00 71.31 H new ATOM 0 HG3 ARG A 49 3.343 11.551 -9.073 1.00 71.31 H new ATOM 0 HD2 ARG A 49 6.347 11.199 -9.290 1.00 35.04 H new ATOM 0 HD3 ARG A 49 5.116 10.684 -10.426 1.00 35.04 H new ATOM 0 HE ARG A 49 6.350 13.310 -10.266 1.00 73.54 H new ATOM 0 HH11 ARG A 49 3.400 11.572 -11.132 1.00 41.24 H new ATOM 0 HH12 ARG A 49 2.877 12.801 -12.287 1.00 41.24 H new ATOM 0 HH21 ARG A 49 5.671 14.884 -11.753 1.00 50.44 H new ATOM 0 HH22 ARG A 49 4.157 14.667 -12.638 1.00 50.44 H new ATOM 692 N ASN A 50 5.568 14.813 -5.601 1.00 20.52 N ATOM 693 CA ASN A 50 5.790 16.180 -5.148 1.00 63.14 C ATOM 694 C ASN A 50 6.006 16.224 -3.639 1.00 34.02 C ATOM 695 O ASN A 50 5.182 16.742 -2.883 1.00 43.20 O ATOM 696 CB ASN A 50 4.601 17.065 -5.531 1.00 2.31 C ATOM 697 CG ASN A 50 4.027 16.706 -6.888 1.00 40.53 C ATOM 698 OD1 ASN A 50 4.501 17.181 -7.920 1.00 73.43 O ATOM 699 ND2 ASN A 50 2.999 15.864 -6.890 1.00 2.24 N ATOM 0 H ASN A 50 4.927 14.274 -5.019 1.00 20.52 H new ATOM 0 HA ASN A 50 6.688 16.558 -5.637 1.00 63.14 H new ATOM 0 HB2 ASN A 50 3.823 16.971 -4.774 1.00 2.31 H new ATOM 0 HB3 ASN A 50 4.915 18.109 -5.537 1.00 2.31 H new ATOM 0 HD21 ASN A 50 2.569 15.586 -7.772 1.00 2.24 H new ATOM 0 HD22 ASN A 50 2.640 15.496 -6.009 1.00 2.24 H new ATOM 706 N PRO A 51 7.139 15.669 -3.186 1.00 24.24 N ATOM 707 CA PRO A 51 7.490 15.632 -1.763 1.00 43.20 C ATOM 708 C PRO A 51 7.834 17.014 -1.216 1.00 54.34 C ATOM 709 O PRO A 51 7.684 17.274 -0.023 1.00 13.21 O ATOM 710 CB PRO A 51 8.720 14.721 -1.724 1.00 44.41 C ATOM 711 CG PRO A 51 9.318 14.835 -3.083 1.00 64.10 C ATOM 712 CD PRO A 51 8.167 15.033 -4.029 1.00 70.13 C ATOM 0 HA PRO A 51 6.662 15.279 -1.148 1.00 43.20 H new ATOM 0 HB2 PRO A 51 9.423 15.038 -0.954 1.00 44.41 H new ATOM 0 HB3 PRO A 51 8.443 13.691 -1.498 1.00 44.41 H new ATOM 0 HG2 PRO A 51 10.013 15.673 -3.134 1.00 64.10 H new ATOM 0 HG3 PRO A 51 9.882 13.937 -3.337 1.00 64.10 H new ATOM 0 HD2 PRO A 51 8.444 15.666 -4.872 1.00 70.13 H new ATOM 0 HD3 PRO A 51 7.819 14.086 -4.442 1.00 70.13 H new ATOM 720 N SER A 52 8.294 17.897 -2.097 1.00 2.42 N ATOM 721 CA SER A 52 8.662 19.252 -1.701 1.00 33.13 C ATOM 722 C SER A 52 7.423 20.126 -1.543 1.00 62.34 C ATOM 723 O SER A 52 7.430 21.104 -0.796 1.00 11.53 O ATOM 724 CB SER A 52 9.609 19.867 -2.732 1.00 40.13 C ATOM 725 OG SER A 52 9.880 21.225 -2.428 1.00 5.02 O ATOM 0 H SER A 52 8.421 17.699 -3.089 1.00 2.42 H new ATOM 0 HA SER A 52 9.171 19.199 -0.739 1.00 33.13 H new ATOM 0 HB2 SER A 52 10.542 19.303 -2.756 1.00 40.13 H new ATOM 0 HB3 SER A 52 9.167 19.794 -3.726 1.00 40.13 H new ATOM 0 HG SER A 52 10.489 21.596 -3.101 1.00 5.02 H new ATOM 731 N ASP A 53 6.359 19.768 -2.253 1.00 31.41 N ATOM 732 CA ASP A 53 5.110 20.519 -2.192 1.00 63.43 C ATOM 733 C ASP A 53 4.325 20.167 -0.934 1.00 10.04 C ATOM 734 O ASP A 53 3.631 19.151 -0.887 1.00 51.15 O ATOM 735 CB ASP A 53 4.260 20.238 -3.433 1.00 4.35 C ATOM 736 CG ASP A 53 4.241 21.408 -4.398 1.00 0.21 C ATOM 737 OD1 ASP A 53 3.904 22.529 -3.964 1.00 45.13 O ATOM 738 OD2 ASP A 53 4.563 21.201 -5.587 1.00 15.33 O ATOM 0 H ASP A 53 6.336 18.962 -2.878 1.00 31.41 H new ATOM 0 HA ASP A 53 5.355 21.581 -2.161 1.00 63.43 H new ATOM 0 HB2 ASP A 53 4.647 19.356 -3.943 1.00 4.35 H new ATOM 0 HB3 ASP A 53 3.240 20.007 -3.127 1.00 4.35 H new ATOM 743 N GLU A 54 4.440 21.013 0.085 1.00 20.22 N ATOM 744 CA GLU A 54 3.742 20.789 1.346 1.00 61.52 C ATOM 745 C GLU A 54 2.235 20.691 1.123 1.00 34.32 C ATOM 746 O GLU A 54 1.513 20.103 1.929 1.00 74.42 O ATOM 747 CB GLU A 54 4.049 21.917 2.332 1.00 30.10 C ATOM 748 CG GLU A 54 5.384 21.759 3.040 1.00 72.42 C ATOM 749 CD GLU A 54 6.146 23.066 3.148 1.00 63.24 C ATOM 750 OE1 GLU A 54 6.361 23.715 2.102 1.00 55.42 O ATOM 751 OE2 GLU A 54 6.527 23.439 4.277 1.00 4.22 O ATOM 0 H GLU A 54 5.009 21.859 0.062 1.00 20.22 H new ATOM 0 HA GLU A 54 4.093 19.845 1.763 1.00 61.52 H new ATOM 0 HB2 GLU A 54 4.040 22.867 1.798 1.00 30.10 H new ATOM 0 HB3 GLU A 54 3.255 21.963 3.077 1.00 30.10 H new ATOM 0 HG2 GLU A 54 5.216 21.357 4.039 1.00 72.42 H new ATOM 0 HG3 GLU A 54 5.992 21.032 2.502 1.00 72.42 H new ATOM 758 N LYS A 55 1.766 21.271 0.023 1.00 22.31 N ATOM 759 CA LYS A 55 0.347 21.248 -0.308 1.00 71.13 C ATOM 760 C LYS A 55 -0.130 19.824 -0.569 1.00 21.33 C ATOM 761 O LYS A 55 -1.306 19.508 -0.383 1.00 13.43 O ATOM 762 CB LYS A 55 0.076 22.119 -1.536 1.00 74.24 C ATOM 763 CG LYS A 55 0.903 21.735 -2.751 1.00 31.42 C ATOM 764 CD LYS A 55 0.268 20.585 -3.516 1.00 24.52 C ATOM 765 CE LYS A 55 0.249 20.854 -5.012 1.00 64.04 C ATOM 766 NZ LYS A 55 1.376 20.178 -5.713 1.00 33.35 N ATOM 0 H LYS A 55 2.349 21.763 -0.654 1.00 22.31 H new ATOM 0 HA LYS A 55 -0.205 21.646 0.544 1.00 71.13 H new ATOM 0 HB2 LYS A 55 -0.982 22.053 -1.791 1.00 74.24 H new ATOM 0 HB3 LYS A 55 0.278 23.160 -1.284 1.00 74.24 H new ATOM 0 HG2 LYS A 55 1.007 22.598 -3.409 1.00 31.42 H new ATOM 0 HG3 LYS A 55 1.907 21.453 -2.435 1.00 31.42 H new ATOM 0 HD2 LYS A 55 0.820 19.666 -3.318 1.00 24.52 H new ATOM 0 HD3 LYS A 55 -0.750 20.429 -3.160 1.00 24.52 H new ATOM 0 HE2 LYS A 55 -0.697 20.510 -5.430 1.00 64.04 H new ATOM 0 HE3 LYS A 55 0.304 21.928 -5.188 1.00 64.04 H new ATOM 0 HZ1 LYS A 55 1.760 20.811 -6.444 1.00 33.35 H new ATOM 0 HZ2 LYS A 55 2.123 19.948 -5.027 1.00 33.35 H new ATOM 0 HZ3 LYS A 55 1.033 19.303 -6.158 1.00 33.35 H new ATOM 780 N TYR A 56 0.789 18.965 -0.995 1.00 62.31 N ATOM 781 CA TYR A 56 0.464 17.573 -1.281 1.00 73.45 C ATOM 782 C TYR A 56 0.713 16.693 -0.061 1.00 55.50 C ATOM 783 O TYR A 56 0.778 15.469 -0.167 1.00 62.13 O ATOM 784 CB TYR A 56 1.287 17.067 -2.466 1.00 2.25 C ATOM 785 CG TYR A 56 0.447 16.595 -3.632 1.00 52.22 C ATOM 786 CD1 TYR A 56 -0.649 15.763 -3.432 1.00 42.41 C ATOM 787 CD2 TYR A 56 0.747 16.984 -4.931 1.00 13.33 C ATOM 788 CE1 TYR A 56 -1.418 15.330 -4.494 1.00 12.20 C ATOM 789 CE2 TYR A 56 -0.018 16.557 -5.999 1.00 33.24 C ATOM 790 CZ TYR A 56 -1.099 15.730 -5.775 1.00 51.02 C ATOM 791 OH TYR A 56 -1.865 15.301 -6.836 1.00 72.21 O ATOM 0 H TYR A 56 1.767 19.209 -1.150 1.00 62.31 H new ATOM 0 HA TYR A 56 -0.595 17.519 -1.534 1.00 73.45 H new ATOM 0 HB2 TYR A 56 1.948 17.865 -2.805 1.00 2.25 H new ATOM 0 HB3 TYR A 56 1.923 16.247 -2.132 1.00 2.25 H new ATOM 0 HD1 TYR A 56 -0.903 15.450 -2.430 1.00 42.41 H new ATOM 0 HD2 TYR A 56 1.593 17.631 -5.109 1.00 13.33 H new ATOM 0 HE1 TYR A 56 -2.265 14.682 -4.323 1.00 12.20 H new ATOM 0 HE2 TYR A 56 0.229 16.869 -7.003 1.00 33.24 H new ATOM 0 HH TYR A 56 -1.508 15.673 -7.669 1.00 72.21 H new ATOM 801 N ARG A 57 0.851 17.327 1.099 1.00 1.22 N ATOM 802 CA ARG A 57 1.095 16.604 2.341 1.00 73.20 C ATOM 803 C ARG A 57 -0.186 15.947 2.849 1.00 23.41 C ATOM 804 O ARG A 57 -0.157 15.148 3.784 1.00 51.05 O ATOM 805 CB ARG A 57 1.651 17.550 3.407 1.00 23.54 C ATOM 806 CG ARG A 57 0.589 18.409 4.074 1.00 1.54 C ATOM 807 CD ARG A 57 1.211 19.453 4.989 1.00 71.12 C ATOM 808 NE ARG A 57 0.237 20.013 5.921 1.00 51.54 N ATOM 809 CZ ARG A 57 0.568 20.743 6.980 1.00 34.33 C ATOM 810 NH1 ARG A 57 1.842 20.999 7.240 1.00 1.40 N ATOM 811 NH2 ARG A 57 -0.377 21.218 7.783 1.00 24.23 N ATOM 0 H ARG A 57 0.798 18.340 1.204 1.00 1.22 H new ATOM 0 HA ARG A 57 1.829 15.824 2.138 1.00 73.20 H new ATOM 0 HB2 ARG A 57 2.163 16.963 4.170 1.00 23.54 H new ATOM 0 HB3 ARG A 57 2.397 18.200 2.950 1.00 23.54 H new ATOM 0 HG2 ARG A 57 -0.012 18.904 3.311 1.00 1.54 H new ATOM 0 HG3 ARG A 57 -0.085 17.775 4.649 1.00 1.54 H new ATOM 0 HD2 ARG A 57 2.031 19.002 5.549 1.00 71.12 H new ATOM 0 HD3 ARG A 57 1.639 20.254 4.387 1.00 71.12 H new ATOM 0 HE ARG A 57 -0.752 19.834 5.749 1.00 51.54 H new ATOM 0 HH11 ARG A 57 2.571 20.635 6.626 1.00 1.40 H new ATOM 0 HH12 ARG A 57 2.094 21.560 8.054 1.00 1.40 H new ATOM 0 HH21 ARG A 57 -1.359 21.022 7.587 1.00 24.23 H new ATOM 0 HH22 ARG A 57 -0.121 21.778 8.596 1.00 24.23 H new ATOM 825 N SER A 58 -1.308 16.291 2.223 1.00 22.34 N ATOM 826 CA SER A 58 -2.600 15.738 2.613 1.00 12.22 C ATOM 827 C SER A 58 -3.121 14.773 1.553 1.00 20.50 C ATOM 828 O SER A 58 -2.695 14.815 0.399 1.00 74.34 O ATOM 829 CB SER A 58 -3.613 16.862 2.838 1.00 45.52 C ATOM 830 OG SER A 58 -4.253 17.221 1.625 1.00 61.03 O ATOM 0 H SER A 58 -1.348 16.949 1.445 1.00 22.34 H new ATOM 0 HA SER A 58 -2.465 15.188 3.544 1.00 12.22 H new ATOM 0 HB2 SER A 58 -4.359 16.543 3.566 1.00 45.52 H new ATOM 0 HB3 SER A 58 -3.109 17.732 3.258 1.00 45.52 H new ATOM 0 HG SER A 58 -4.897 17.940 1.795 1.00 61.03 H new ATOM 836 N ILE A 59 -4.042 13.905 1.954 1.00 35.43 N ATOM 837 CA ILE A 59 -4.623 12.929 1.038 1.00 1.42 C ATOM 838 C ILE A 59 -6.095 12.688 1.353 1.00 11.32 C ATOM 839 O ILE A 59 -6.450 12.345 2.480 1.00 54.00 O ATOM 840 CB ILE A 59 -3.870 11.587 1.096 1.00 75.42 C ATOM 841 CG1 ILE A 59 -3.459 11.268 2.534 1.00 12.15 C ATOM 842 CG2 ILE A 59 -2.650 11.625 0.187 1.00 43.32 C ATOM 843 CD1 ILE A 59 -3.425 9.786 2.839 1.00 54.05 C ATOM 0 H ILE A 59 -4.403 13.856 2.907 1.00 35.43 H new ATOM 0 HA ILE A 59 -4.533 13.344 0.034 1.00 1.42 H new ATOM 0 HB ILE A 59 -4.536 10.799 0.746 1.00 75.42 H new ATOM 0 HG12 ILE A 59 -2.473 11.692 2.724 1.00 12.15 H new ATOM 0 HG13 ILE A 59 -4.153 11.756 3.218 1.00 12.15 H new ATOM 0 HG21 ILE A 59 -2.128 10.670 0.239 1.00 43.32 H new ATOM 0 HG22 ILE A 59 -2.967 11.811 -0.839 1.00 43.32 H new ATOM 0 HG23 ILE A 59 -1.980 12.422 0.510 1.00 43.32 H new ATOM 0 HD11 ILE A 59 -3.126 9.635 3.876 1.00 54.05 H new ATOM 0 HD12 ILE A 59 -4.416 9.359 2.681 1.00 54.05 H new ATOM 0 HD13 ILE A 59 -2.709 9.295 2.179 1.00 54.05 H new ATOM 855 N ARG A 60 -6.946 12.868 0.349 1.00 21.03 N ATOM 856 CA ARG A 60 -8.380 12.668 0.517 1.00 35.53 C ATOM 857 C ARG A 60 -8.685 11.230 0.925 1.00 33.33 C ATOM 858 O ARG A 60 -8.189 10.283 0.316 1.00 25.22 O ATOM 859 CB ARG A 60 -9.121 13.010 -0.777 1.00 3.14 C ATOM 860 CG ARG A 60 -8.768 12.097 -1.940 1.00 52.32 C ATOM 861 CD ARG A 60 -8.610 12.880 -3.234 1.00 35.13 C ATOM 862 NE ARG A 60 -9.731 13.788 -3.464 1.00 2.13 N ATOM 863 CZ ARG A 60 -10.915 13.393 -3.918 1.00 54.52 C ATOM 864 NH1 ARG A 60 -11.133 12.114 -4.186 1.00 75.15 N ATOM 865 NH2 ARG A 60 -11.885 14.281 -4.101 1.00 34.44 N ATOM 0 H ARG A 60 -6.667 13.152 -0.590 1.00 21.03 H new ATOM 0 HA ARG A 60 -8.722 13.333 1.310 1.00 35.53 H new ATOM 0 HB2 ARG A 60 -10.195 12.956 -0.596 1.00 3.14 H new ATOM 0 HB3 ARG A 60 -8.896 14.040 -1.053 1.00 3.14 H new ATOM 0 HG2 ARG A 60 -7.842 11.566 -1.719 1.00 52.32 H new ATOM 0 HG3 ARG A 60 -9.546 11.344 -2.062 1.00 52.32 H new ATOM 0 HD2 ARG A 60 -7.682 13.451 -3.202 1.00 35.13 H new ATOM 0 HD3 ARG A 60 -8.528 12.186 -4.070 1.00 35.13 H new ATOM 0 HE ARG A 60 -9.597 14.779 -3.265 1.00 2.13 H new ATOM 0 HH11 ARG A 60 -10.390 11.429 -4.044 1.00 75.15 H new ATOM 0 HH12 ARG A 60 -12.043 11.814 -4.535 1.00 75.15 H new ATOM 0 HH21 ARG A 60 -11.721 15.266 -3.893 1.00 34.44 H new ATOM 0 HH22 ARG A 60 -12.794 13.978 -4.450 1.00 34.44 H new ATOM 879 N ILE A 61 -9.503 11.074 1.962 1.00 44.04 N ATOM 880 CA ILE A 61 -9.874 9.753 2.450 1.00 63.43 C ATOM 881 C ILE A 61 -10.347 8.857 1.309 1.00 54.45 C ATOM 882 O ILE A 61 -9.636 7.952 0.880 1.00 25.24 O ATOM 883 CB ILE A 61 -10.982 9.837 3.516 1.00 61.32 C ATOM 884 CG1 ILE A 61 -10.454 10.517 4.781 1.00 71.55 C ATOM 885 CG2 ILE A 61 -11.514 8.447 3.837 1.00 54.12 C ATOM 886 CD1 ILE A 61 -11.544 10.923 5.748 1.00 3.32 C ATOM 0 H ILE A 61 -9.921 11.847 2.480 1.00 44.04 H new ATOM 0 HA ILE A 61 -8.980 9.321 2.900 1.00 63.43 H new ATOM 0 HB ILE A 61 -11.802 10.437 3.120 1.00 61.32 H new ATOM 0 HG12 ILE A 61 -9.764 9.841 5.286 1.00 71.55 H new ATOM 0 HG13 ILE A 61 -9.883 11.401 4.497 1.00 71.55 H new ATOM 0 HG21 ILE A 61 -12.297 8.522 4.592 1.00 54.12 H new ATOM 0 HG22 ILE A 61 -11.924 7.997 2.933 1.00 54.12 H new ATOM 0 HG23 ILE A 61 -10.703 7.825 4.216 1.00 54.12 H new ATOM 0 HD11 ILE A 61 -11.097 11.399 6.621 1.00 3.32 H new ATOM 0 HD12 ILE A 61 -12.221 11.624 5.260 1.00 3.32 H new ATOM 0 HD13 ILE A 61 -12.100 10.039 6.061 1.00 3.32 H new ATOM 898 N GLY A 62 -11.556 9.121 0.820 1.00 1.24 N ATOM 899 CA GLY A 62 -12.103 8.333 -0.267 1.00 64.43 C ATOM 900 C GLY A 62 -13.590 8.077 -0.108 1.00 4.12 C ATOM 901 O GLY A 62 -14.063 6.965 -0.336 1.00 21.01 O ATOM 0 H GLY A 62 -12.165 9.866 1.158 1.00 1.24 H new ATOM 0 HA2 GLY A 62 -11.925 8.849 -1.211 1.00 64.43 H new ATOM 0 HA3 GLY A 62 -11.577 7.380 -0.321 1.00 64.43 H new ATOM 905 N ASN A 63 -14.327 9.111 0.286 1.00 64.30 N ATOM 906 CA ASN A 63 -15.767 8.992 0.477 1.00 74.22 C ATOM 907 C ASN A 63 -16.091 7.937 1.532 1.00 61.04 C ATOM 908 O ASN A 63 -15.195 7.383 2.169 1.00 2.12 O ATOM 909 CB ASN A 63 -16.452 8.637 -0.844 1.00 52.23 C ATOM 910 CG ASN A 63 -16.308 9.732 -1.882 1.00 63.01 C ATOM 911 OD1 ASN A 63 -17.280 10.393 -2.244 1.00 55.21 O ATOM 912 ND2 ASN A 63 -15.087 9.930 -2.368 1.00 21.33 N ATOM 0 H ASN A 63 -13.951 10.039 0.479 1.00 64.30 H new ATOM 0 HA ASN A 63 -16.142 9.955 0.824 1.00 74.22 H new ATOM 0 HB2 ASN A 63 -16.026 7.712 -1.234 1.00 52.23 H new ATOM 0 HB3 ASN A 63 -17.510 8.449 -0.662 1.00 52.23 H new ATOM 0 HD21 ASN A 63 -14.928 10.653 -3.069 1.00 21.33 H new ATOM 0 HD22 ASN A 63 -14.309 9.359 -2.040 1.00 21.33 H new ATOM 919 N THR A 64 -17.380 7.661 1.708 1.00 2.54 N ATOM 920 CA THR A 64 -17.822 6.674 2.684 1.00 34.31 C ATOM 921 C THR A 64 -17.290 5.287 2.342 1.00 21.21 C ATOM 922 O THR A 64 -17.278 4.391 3.186 1.00 23.12 O ATOM 923 CB THR A 64 -19.359 6.615 2.766 1.00 13.42 C ATOM 924 OG1 THR A 64 -19.925 7.815 2.224 1.00 31.32 O ATOM 925 CG2 THR A 64 -19.818 6.438 4.207 1.00 65.25 C ATOM 0 H THR A 64 -18.135 8.107 1.187 1.00 2.54 H new ATOM 0 HA THR A 64 -17.425 6.985 3.650 1.00 34.31 H new ATOM 0 HB THR A 64 -19.699 5.758 2.185 1.00 13.42 H new ATOM 0 HG1 THR A 64 -20.053 7.709 1.258 1.00 31.32 H new ATOM 0 HG21 THR A 64 -20.907 6.399 4.240 1.00 65.25 H new ATOM 0 HG22 THR A 64 -19.409 5.510 4.608 1.00 65.25 H new ATOM 0 HG23 THR A 64 -19.467 7.278 4.807 1.00 65.25 H new ATOM 933 N ALA A 65 -16.852 5.116 1.100 1.00 23.40 N ATOM 934 CA ALA A 65 -16.316 3.838 0.647 1.00 35.42 C ATOM 935 C ALA A 65 -15.108 3.424 1.480 1.00 25.41 C ATOM 936 O ALA A 65 -14.890 2.237 1.729 1.00 53.43 O ATOM 937 CB ALA A 65 -15.943 3.914 -0.827 1.00 14.11 C ATOM 0 H ALA A 65 -16.858 5.847 0.388 1.00 23.40 H new ATOM 0 HA ALA A 65 -17.090 3.081 0.775 1.00 35.42 H new ATOM 0 HB1 ALA A 65 -15.544 2.953 -1.151 1.00 14.11 H new ATOM 0 HB2 ALA A 65 -16.829 4.156 -1.414 1.00 14.11 H new ATOM 0 HB3 ALA A 65 -15.189 4.687 -0.972 1.00 14.11 H new ATOM 943 N PHE A 66 -14.322 4.408 1.907 1.00 75.45 N ATOM 944 CA PHE A 66 -13.135 4.145 2.710 1.00 41.32 C ATOM 945 C PHE A 66 -13.519 3.639 4.097 1.00 3.14 C ATOM 946 O PHE A 66 -12.969 2.650 4.582 1.00 23.55 O ATOM 947 CB PHE A 66 -12.287 5.413 2.834 1.00 21.52 C ATOM 948 CG PHE A 66 -11.172 5.292 3.834 1.00 73.44 C ATOM 949 CD1 PHE A 66 -11.403 5.532 5.179 1.00 2.24 C ATOM 950 CD2 PHE A 66 -9.895 4.941 3.429 1.00 22.15 C ATOM 951 CE1 PHE A 66 -10.380 5.422 6.102 1.00 22.03 C ATOM 952 CE2 PHE A 66 -8.867 4.830 4.347 1.00 32.11 C ATOM 953 CZ PHE A 66 -9.110 5.070 5.685 1.00 55.11 C ATOM 0 H PHE A 66 -14.487 5.395 1.709 1.00 75.45 H new ATOM 0 HA PHE A 66 -12.551 3.373 2.209 1.00 41.32 H new ATOM 0 HB2 PHE A 66 -11.865 5.655 1.859 1.00 21.52 H new ATOM 0 HB3 PHE A 66 -12.931 6.245 3.118 1.00 21.52 H new ATOM 0 HD1 PHE A 66 -12.393 5.808 5.510 1.00 2.24 H new ATOM 0 HD2 PHE A 66 -9.700 4.752 2.384 1.00 22.15 H new ATOM 0 HE1 PHE A 66 -10.573 5.611 7.148 1.00 22.03 H new ATOM 0 HE2 PHE A 66 -7.875 4.556 4.018 1.00 32.11 H new ATOM 0 HZ PHE A 66 -8.309 4.983 6.404 1.00 55.11 H new ATOM 963 N SER A 67 -14.464 4.324 4.731 1.00 74.04 N ATOM 964 CA SER A 67 -14.919 3.947 6.065 1.00 42.01 C ATOM 965 C SER A 67 -15.675 2.623 6.026 1.00 2.23 C ATOM 966 O SER A 67 -15.795 1.933 7.040 1.00 15.41 O ATOM 967 CB SER A 67 -15.814 5.041 6.649 1.00 4.53 C ATOM 968 OG SER A 67 -16.076 4.806 8.021 1.00 14.43 O ATOM 0 H SER A 67 -14.930 5.144 4.343 1.00 74.04 H new ATOM 0 HA SER A 67 -14.042 3.827 6.701 1.00 42.01 H new ATOM 0 HB2 SER A 67 -15.333 6.012 6.528 1.00 4.53 H new ATOM 0 HB3 SER A 67 -16.753 5.080 6.097 1.00 4.53 H new ATOM 0 HG SER A 67 -16.649 5.520 8.372 1.00 14.43 H new ATOM 974 N THR A 68 -16.181 2.271 4.849 1.00 54.15 N ATOM 975 CA THR A 68 -16.927 1.031 4.677 1.00 20.51 C ATOM 976 C THR A 68 -15.988 -0.144 4.425 1.00 40.30 C ATOM 977 O THR A 68 -16.171 -1.227 4.981 1.00 60.31 O ATOM 978 CB THR A 68 -17.927 1.133 3.511 1.00 71.30 C ATOM 979 OG1 THR A 68 -17.237 1.466 2.301 1.00 52.42 O ATOM 980 CG2 THR A 68 -18.990 2.183 3.800 1.00 0.20 C ATOM 0 H THR A 68 -16.088 2.828 4.000 1.00 54.15 H new ATOM 0 HA THR A 68 -17.477 0.862 5.603 1.00 20.51 H new ATOM 0 HB THR A 68 -18.416 0.166 3.395 1.00 71.30 H new ATOM 0 HG1 THR A 68 -16.295 1.648 2.501 1.00 52.42 H new ATOM 0 HG21 THR A 68 -19.685 2.237 2.962 1.00 0.20 H new ATOM 0 HG22 THR A 68 -19.533 1.911 4.705 1.00 0.20 H new ATOM 0 HG23 THR A 68 -18.514 3.154 3.940 1.00 0.20 H new ATOM 988 N ARG A 69 -14.983 0.078 3.584 1.00 41.22 N ATOM 989 CA ARG A 69 -14.016 -0.963 3.256 1.00 13.31 C ATOM 990 C ARG A 69 -12.606 -0.387 3.172 1.00 43.24 C ATOM 991 O ARG A 69 -12.071 -0.183 2.080 1.00 35.31 O ATOM 992 CB ARG A 69 -14.385 -1.634 1.933 1.00 31.55 C ATOM 993 CG ARG A 69 -13.765 -3.011 1.755 1.00 13.21 C ATOM 994 CD ARG A 69 -12.383 -2.923 1.128 1.00 61.22 C ATOM 995 NE ARG A 69 -11.988 -4.180 0.498 1.00 32.13 N ATOM 996 CZ ARG A 69 -12.421 -4.574 -0.695 1.00 44.51 C ATOM 997 NH1 ARG A 69 -13.258 -3.810 -1.384 1.00 34.35 N ATOM 998 NH2 ARG A 69 -12.014 -5.731 -1.201 1.00 74.03 N ATOM 0 H ARG A 69 -14.817 0.970 3.117 1.00 41.22 H new ATOM 0 HA ARG A 69 -14.039 -1.709 4.051 1.00 13.31 H new ATOM 0 HB2 ARG A 69 -15.470 -1.722 1.870 1.00 31.55 H new ATOM 0 HB3 ARG A 69 -14.069 -0.993 1.110 1.00 31.55 H new ATOM 0 HG2 ARG A 69 -13.696 -3.508 2.723 1.00 13.21 H new ATOM 0 HG3 ARG A 69 -14.412 -3.624 1.128 1.00 13.21 H new ATOM 0 HD2 ARG A 69 -12.372 -2.126 0.385 1.00 61.22 H new ATOM 0 HD3 ARG A 69 -11.654 -2.656 1.893 1.00 61.22 H new ATOM 0 HE ARG A 69 -11.344 -4.790 1.002 1.00 32.13 H new ATOM 0 HH11 ARG A 69 -13.570 -2.919 -0.998 1.00 34.35 H new ATOM 0 HH12 ARG A 69 -13.590 -4.114 -2.300 1.00 34.35 H new ATOM 0 HH21 ARG A 69 -11.368 -6.319 -0.674 1.00 74.03 H new ATOM 0 HH22 ARG A 69 -12.347 -6.032 -2.117 1.00 74.03 H new ATOM 1012 N LEU A 70 -12.009 -0.126 4.329 1.00 25.14 N ATOM 1013 CA LEU A 70 -10.660 0.428 4.386 1.00 2.05 C ATOM 1014 C LEU A 70 -10.276 0.780 5.820 1.00 3.15 C ATOM 1015 O LEU A 70 -9.104 0.711 6.196 1.00 63.44 O ATOM 1016 CB LEU A 70 -10.559 1.670 3.500 1.00 62.10 C ATOM 1017 CG LEU A 70 -9.512 1.617 2.386 1.00 71.01 C ATOM 1018 CD1 LEU A 70 -9.949 2.467 1.202 1.00 20.45 C ATOM 1019 CD2 LEU A 70 -8.157 2.077 2.905 1.00 11.33 C ATOM 0 H LEU A 70 -12.437 -0.289 5.240 1.00 25.14 H new ATOM 0 HA LEU A 70 -9.967 -0.329 4.019 1.00 2.05 H new ATOM 0 HB2 LEU A 70 -11.534 1.849 3.047 1.00 62.10 H new ATOM 0 HB3 LEU A 70 -10.341 2.528 4.136 1.00 62.10 H new ATOM 0 HG LEU A 70 -9.418 0.584 2.050 1.00 71.01 H new ATOM 0 HD11 LEU A 70 -9.192 2.417 0.419 1.00 20.45 H new ATOM 0 HD12 LEU A 70 -10.896 2.092 0.815 1.00 20.45 H new ATOM 0 HD13 LEU A 70 -10.072 3.502 1.523 1.00 20.45 H new ATOM 0 HD21 LEU A 70 -7.425 2.033 2.099 1.00 11.33 H new ATOM 0 HD22 LEU A 70 -8.235 3.102 3.268 1.00 11.33 H new ATOM 0 HD23 LEU A 70 -7.840 1.426 3.720 1.00 11.33 H new ATOM 1031 N LEU A 71 -11.269 1.154 6.618 1.00 1.12 N ATOM 1032 CA LEU A 71 -11.035 1.515 8.012 1.00 55.55 C ATOM 1033 C LEU A 71 -11.021 0.275 8.900 1.00 22.14 C ATOM 1034 O LEU A 71 -10.024 -0.040 9.551 1.00 75.34 O ATOM 1035 CB LEU A 71 -12.113 2.489 8.494 1.00 52.12 C ATOM 1036 CG LEU A 71 -11.623 3.868 8.935 1.00 43.22 C ATOM 1037 CD1 LEU A 71 -12.637 4.939 8.565 1.00 25.05 C ATOM 1038 CD2 LEU A 71 -11.350 3.884 10.433 1.00 71.14 C ATOM 0 H LEU A 71 -12.244 1.215 6.324 1.00 1.12 H new ATOM 0 HA LEU A 71 -10.060 1.998 8.079 1.00 55.55 H new ATOM 0 HB2 LEU A 71 -12.838 2.623 7.691 1.00 52.12 H new ATOM 0 HB3 LEU A 71 -12.642 2.030 9.329 1.00 52.12 H new ATOM 0 HG LEU A 71 -10.691 4.084 8.414 1.00 43.22 H new ATOM 0 HD11 LEU A 71 -12.271 5.914 8.887 1.00 25.05 H new ATOM 0 HD12 LEU A 71 -12.782 4.945 7.485 1.00 25.05 H new ATOM 0 HD13 LEU A 71 -13.586 4.727 9.058 1.00 25.05 H new ATOM 0 HD21 LEU A 71 -11.002 4.874 10.729 1.00 71.14 H new ATOM 0 HD22 LEU A 71 -12.267 3.645 10.972 1.00 71.14 H new ATOM 0 HD23 LEU A 71 -10.586 3.144 10.671 1.00 71.14 H new ATOM 1050 N PRO A 72 -12.150 -0.447 8.927 1.00 40.24 N ATOM 1051 CA PRO A 72 -12.292 -1.665 9.729 1.00 22.24 C ATOM 1052 C PRO A 72 -11.453 -2.818 9.187 1.00 2.31 C ATOM 1053 O PRO A 72 -11.370 -3.883 9.799 1.00 51.31 O ATOM 1054 CB PRO A 72 -13.783 -1.993 9.618 1.00 15.54 C ATOM 1055 CG PRO A 72 -14.213 -1.371 8.336 1.00 50.24 C ATOM 1056 CD PRO A 72 -13.377 -0.130 8.176 1.00 32.54 C ATOM 0 HA PRO A 72 -11.948 -1.519 10.753 1.00 22.24 H new ATOM 0 HB2 PRO A 72 -13.952 -3.070 9.612 1.00 15.54 H new ATOM 0 HB3 PRO A 72 -14.341 -1.587 10.462 1.00 15.54 H new ATOM 0 HG2 PRO A 72 -14.061 -2.054 7.501 1.00 50.24 H new ATOM 0 HG3 PRO A 72 -15.275 -1.126 8.358 1.00 50.24 H new ATOM 0 HD2 PRO A 72 -13.164 0.079 7.128 1.00 32.54 H new ATOM 0 HD3 PRO A 72 -13.880 0.748 8.580 1.00 32.54 H new ATOM 1064 N VAL A 73 -10.829 -2.598 8.033 1.00 2.10 N ATOM 1065 CA VAL A 73 -9.995 -3.617 7.407 1.00 11.34 C ATOM 1066 C VAL A 73 -8.705 -3.828 8.193 1.00 43.12 C ATOM 1067 O VAL A 73 -8.049 -2.869 8.600 1.00 41.55 O ATOM 1068 CB VAL A 73 -9.643 -3.242 5.955 1.00 11.41 C ATOM 1069 CG1 VAL A 73 -8.642 -2.096 5.926 1.00 13.35 C ATOM 1070 CG2 VAL A 73 -9.102 -4.452 5.210 1.00 73.14 C ATOM 0 H VAL A 73 -10.886 -1.722 7.513 1.00 2.10 H new ATOM 0 HA VAL A 73 -10.572 -4.541 7.405 1.00 11.34 H new ATOM 0 HB VAL A 73 -10.552 -2.911 5.453 1.00 11.41 H new ATOM 0 HG11 VAL A 73 -8.406 -1.845 4.892 1.00 13.35 H new ATOM 0 HG12 VAL A 73 -9.071 -1.225 6.421 1.00 13.35 H new ATOM 0 HG13 VAL A 73 -7.731 -2.396 6.444 1.00 13.35 H new ATOM 0 HG21 VAL A 73 -8.858 -4.170 4.186 1.00 73.14 H new ATOM 0 HG22 VAL A 73 -8.204 -4.815 5.710 1.00 73.14 H new ATOM 0 HG23 VAL A 73 -9.855 -5.240 5.200 1.00 73.14 H new ATOM 1080 N ARG A 74 -8.347 -5.091 8.402 1.00 2.54 N ATOM 1081 CA ARG A 74 -7.134 -5.428 9.139 1.00 12.14 C ATOM 1082 C ARG A 74 -5.928 -5.480 8.207 1.00 2.34 C ATOM 1083 O ARG A 74 -5.801 -6.391 7.390 1.00 14.42 O ATOM 1084 CB ARG A 74 -7.302 -6.772 9.850 1.00 31.34 C ATOM 1085 CG ARG A 74 -7.201 -6.678 11.363 1.00 3.11 C ATOM 1086 CD ARG A 74 -5.770 -6.415 11.812 1.00 72.04 C ATOM 1087 NE ARG A 74 -5.614 -6.561 13.256 1.00 54.32 N ATOM 1088 CZ ARG A 74 -5.588 -7.734 13.879 1.00 65.54 C ATOM 1089 NH1 ARG A 74 -5.709 -8.858 13.186 1.00 62.35 N ATOM 1090 NH2 ARG A 74 -5.442 -7.785 15.195 1.00 73.13 N ATOM 0 H ARG A 74 -8.878 -5.897 8.072 1.00 2.54 H new ATOM 0 HA ARG A 74 -6.962 -4.650 9.883 1.00 12.14 H new ATOM 0 HB2 ARG A 74 -8.271 -7.195 9.585 1.00 31.34 H new ATOM 0 HB3 ARG A 74 -6.542 -7.463 9.486 1.00 31.34 H new ATOM 0 HG2 ARG A 74 -7.849 -5.879 11.723 1.00 3.11 H new ATOM 0 HG3 ARG A 74 -7.559 -7.605 11.811 1.00 3.11 H new ATOM 0 HD2 ARG A 74 -5.098 -7.106 11.303 1.00 72.04 H new ATOM 0 HD3 ARG A 74 -5.476 -5.408 11.516 1.00 72.04 H new ATOM 0 HE ARG A 74 -5.520 -5.715 13.818 1.00 54.32 H new ATOM 0 HH11 ARG A 74 -5.822 -8.823 12.173 1.00 62.35 H new ATOM 0 HH12 ARG A 74 -5.689 -9.758 13.666 1.00 62.35 H new ATOM 0 HH21 ARG A 74 -5.349 -6.923 15.732 1.00 73.13 H new ATOM 0 HH22 ARG A 74 -5.422 -8.687 15.671 1.00 73.13 H new ATOM 1104 N GLY A 75 -5.043 -4.495 8.336 1.00 64.40 N ATOM 1105 CA GLY A 75 -3.859 -4.447 7.498 1.00 20.35 C ATOM 1106 C GLY A 75 -3.624 -3.074 6.905 1.00 51.40 C ATOM 1107 O GLY A 75 -2.493 -2.589 6.872 1.00 12.13 O ATOM 0 H GLY A 75 -5.125 -3.730 9.006 1.00 64.40 H new ATOM 0 HA2 GLY A 75 -2.989 -4.739 8.087 1.00 20.35 H new ATOM 0 HA3 GLY A 75 -3.958 -5.175 6.693 1.00 20.35 H new ATOM 1111 N ALA A 76 -4.695 -2.443 6.432 1.00 34.23 N ATOM 1112 CA ALA A 76 -4.600 -1.116 5.836 1.00 1.11 C ATOM 1113 C ALA A 76 -4.270 -0.064 6.889 1.00 51.30 C ATOM 1114 O ALA A 76 -3.339 0.724 6.723 1.00 13.50 O ATOM 1115 CB ALA A 76 -5.897 -0.764 5.123 1.00 63.20 C ATOM 0 H ALA A 76 -5.638 -2.830 6.450 1.00 34.23 H new ATOM 0 HA ALA A 76 -3.790 -1.129 5.107 1.00 1.11 H new ATOM 0 HB1 ALA A 76 -5.812 0.229 4.683 1.00 63.20 H new ATOM 0 HB2 ALA A 76 -6.090 -1.494 4.337 1.00 63.20 H new ATOM 0 HB3 ALA A 76 -6.720 -0.775 5.838 1.00 63.20 H new ATOM 1121 N VAL A 77 -5.040 -0.056 7.973 1.00 12.15 N ATOM 1122 CA VAL A 77 -4.829 0.899 9.054 1.00 40.03 C ATOM 1123 C VAL A 77 -3.421 0.780 9.625 1.00 33.12 C ATOM 1124 O VAL A 77 -2.731 1.781 9.815 1.00 70.14 O ATOM 1125 CB VAL A 77 -5.851 0.697 10.188 1.00 21.35 C ATOM 1126 CG1 VAL A 77 -5.596 1.683 11.319 1.00 62.01 C ATOM 1127 CG2 VAL A 77 -7.269 0.835 9.659 1.00 75.35 C ATOM 0 H VAL A 77 -5.816 -0.701 8.125 1.00 12.15 H new ATOM 0 HA VAL A 77 -4.962 1.894 8.629 1.00 40.03 H new ATOM 0 HB VAL A 77 -5.733 -0.312 10.584 1.00 21.35 H new ATOM 0 HG11 VAL A 77 -6.328 1.525 12.111 1.00 62.01 H new ATOM 0 HG12 VAL A 77 -4.593 1.530 11.716 1.00 62.01 H new ATOM 0 HG13 VAL A 77 -5.685 2.701 10.941 1.00 62.01 H new ATOM 0 HG21 VAL A 77 -7.977 0.689 10.474 1.00 75.35 H new ATOM 0 HG22 VAL A 77 -7.404 1.830 9.235 1.00 75.35 H new ATOM 0 HG23 VAL A 77 -7.444 0.085 8.888 1.00 75.35 H new ATOM 1137 N GLU A 78 -3.002 -0.452 9.900 1.00 45.23 N ATOM 1138 CA GLU A 78 -1.674 -0.701 10.451 1.00 61.54 C ATOM 1139 C GLU A 78 -0.589 -0.357 9.434 1.00 33.41 C ATOM 1140 O GLU A 78 0.524 0.020 9.801 1.00 61.23 O ATOM 1141 CB GLU A 78 -1.542 -2.163 10.881 1.00 65.42 C ATOM 1142 CG GLU A 78 -0.545 -2.380 12.005 1.00 52.10 C ATOM 1143 CD GLU A 78 -0.515 -3.817 12.490 1.00 12.44 C ATOM 1144 OE1 GLU A 78 -1.250 -4.650 11.921 1.00 45.33 O ATOM 1145 OE2 GLU A 78 0.243 -4.108 13.438 1.00 0.11 O ATOM 0 H GLU A 78 -3.562 -1.292 9.751 1.00 45.23 H new ATOM 0 HA GLU A 78 -1.545 -0.061 11.324 1.00 61.54 H new ATOM 0 HB2 GLU A 78 -2.519 -2.529 11.198 1.00 65.42 H new ATOM 0 HB3 GLU A 78 -1.241 -2.760 10.020 1.00 65.42 H new ATOM 0 HG2 GLU A 78 0.450 -2.095 11.663 1.00 52.10 H new ATOM 0 HG3 GLU A 78 -0.795 -1.724 12.839 1.00 52.10 H new ATOM 1152 N CYS A 79 -0.923 -0.493 8.154 1.00 0.44 N ATOM 1153 CA CYS A 79 0.023 -0.199 7.083 1.00 53.42 C ATOM 1154 C CYS A 79 0.356 1.289 7.045 1.00 42.13 C ATOM 1155 O CYS A 79 1.523 1.673 6.957 1.00 33.22 O ATOM 1156 CB CYS A 79 -0.548 -0.641 5.735 1.00 10.41 C ATOM 1157 SG CYS A 79 0.509 -0.248 4.321 1.00 35.12 S ATOM 0 H CYS A 79 -1.840 -0.804 7.834 1.00 0.44 H new ATOM 0 HA CYS A 79 0.941 -0.753 7.280 1.00 53.42 H new ATOM 0 HB2 CYS A 79 -0.718 -1.717 5.760 1.00 10.41 H new ATOM 0 HB3 CYS A 79 -1.520 -0.168 5.591 1.00 10.41 H new ATOM 0 HG CYS A 79 0.198 -1.017 3.320 1.00 35.12 H new ATOM 1163 N LEU A 80 -0.676 2.122 7.110 1.00 73.41 N ATOM 1164 CA LEU A 80 -0.494 3.569 7.081 1.00 44.44 C ATOM 1165 C LEU A 80 0.077 4.073 8.403 1.00 72.21 C ATOM 1166 O LEU A 80 0.872 5.013 8.430 1.00 71.22 O ATOM 1167 CB LEU A 80 -1.825 4.266 6.790 1.00 20.31 C ATOM 1168 CG LEU A 80 -2.654 3.678 5.647 1.00 20.11 C ATOM 1169 CD1 LEU A 80 -4.078 3.409 6.104 1.00 13.51 C ATOM 1170 CD2 LEU A 80 -2.644 4.612 4.446 1.00 42.32 C ATOM 0 H LEU A 80 -1.648 1.821 7.183 1.00 73.41 H new ATOM 0 HA LEU A 80 0.214 3.804 6.286 1.00 44.44 H new ATOM 0 HB2 LEU A 80 -2.429 4.247 7.697 1.00 20.31 H new ATOM 0 HB3 LEU A 80 -1.622 5.313 6.564 1.00 20.31 H new ATOM 0 HG LEU A 80 -2.206 2.730 5.349 1.00 20.11 H new ATOM 0 HD11 LEU A 80 -4.653 2.991 5.277 1.00 13.51 H new ATOM 0 HD12 LEU A 80 -4.067 2.701 6.933 1.00 13.51 H new ATOM 0 HD13 LEU A 80 -4.538 4.342 6.430 1.00 13.51 H new ATOM 0 HD21 LEU A 80 -3.239 4.178 3.642 1.00 42.32 H new ATOM 0 HD22 LEU A 80 -3.067 5.575 4.731 1.00 42.32 H new ATOM 0 HD23 LEU A 80 -1.619 4.753 4.103 1.00 42.32 H new ATOM 1182 N PHE A 81 -0.331 3.440 9.497 1.00 53.11 N ATOM 1183 CA PHE A 81 0.141 3.822 10.823 1.00 4.23 C ATOM 1184 C PHE A 81 1.602 3.424 11.016 1.00 34.10 C ATOM 1185 O PHE A 81 2.404 4.203 11.529 1.00 24.23 O ATOM 1186 CB PHE A 81 -0.724 3.171 11.904 1.00 21.32 C ATOM 1187 CG PHE A 81 -1.821 4.062 12.412 1.00 21.53 C ATOM 1188 CD1 PHE A 81 -2.881 4.415 11.591 1.00 63.43 C ATOM 1189 CD2 PHE A 81 -1.794 4.547 13.708 1.00 20.24 C ATOM 1190 CE1 PHE A 81 -3.893 5.234 12.055 1.00 51.20 C ATOM 1191 CE2 PHE A 81 -2.803 5.366 14.178 1.00 10.32 C ATOM 1192 CZ PHE A 81 -3.852 5.711 13.349 1.00 13.00 C ATOM 0 H PHE A 81 -0.988 2.660 9.492 1.00 53.11 H new ATOM 0 HA PHE A 81 0.063 4.906 10.910 1.00 4.23 H new ATOM 0 HB2 PHE A 81 -1.165 2.258 11.504 1.00 21.32 H new ATOM 0 HB3 PHE A 81 -0.088 2.879 12.740 1.00 21.32 H new ATOM 0 HD1 PHE A 81 -2.916 4.046 10.577 1.00 63.43 H new ATOM 0 HD2 PHE A 81 -0.975 4.282 14.360 1.00 20.24 H new ATOM 0 HE1 PHE A 81 -4.714 5.500 11.406 1.00 51.20 H new ATOM 0 HE2 PHE A 81 -2.771 5.736 15.192 1.00 10.32 H new ATOM 0 HZ PHE A 81 -4.640 6.354 13.713 1.00 13.00 H new ATOM 1202 N GLU A 82 1.936 2.207 10.602 1.00 61.10 N ATOM 1203 CA GLU A 82 3.300 1.704 10.730 1.00 42.11 C ATOM 1204 C GLU A 82 4.232 2.404 9.745 1.00 4.43 C ATOM 1205 O GLU A 82 5.399 2.653 10.048 1.00 14.11 O ATOM 1206 CB GLU A 82 3.334 0.192 10.495 1.00 53.34 C ATOM 1207 CG GLU A 82 3.290 -0.197 9.028 1.00 32.31 C ATOM 1208 CD GLU A 82 4.664 -0.225 8.389 1.00 45.33 C ATOM 1209 OE1 GLU A 82 5.625 -0.649 9.065 1.00 62.33 O ATOM 1210 OE2 GLU A 82 4.780 0.179 7.213 1.00 61.51 O ATOM 0 H GLU A 82 1.282 1.551 10.175 1.00 61.10 H new ATOM 0 HA GLU A 82 3.644 1.915 11.742 1.00 42.11 H new ATOM 0 HB2 GLU A 82 4.240 -0.217 10.943 1.00 53.34 H new ATOM 0 HB3 GLU A 82 2.489 -0.266 11.009 1.00 53.34 H new ATOM 0 HG2 GLU A 82 2.828 -1.180 8.931 1.00 32.31 H new ATOM 0 HG3 GLU A 82 2.657 0.507 8.488 1.00 32.31 H new ATOM 1217 N MET A 83 3.709 2.718 8.565 1.00 72.34 N ATOM 1218 CA MET A 83 4.494 3.390 7.536 1.00 63.41 C ATOM 1219 C MET A 83 4.718 4.855 7.892 1.00 40.43 C ATOM 1220 O MET A 83 5.837 5.359 7.815 1.00 2.41 O ATOM 1221 CB MET A 83 3.794 3.283 6.179 1.00 12.45 C ATOM 1222 CG MET A 83 4.663 3.718 5.010 1.00 53.23 C ATOM 1223 SD MET A 83 4.547 2.596 3.603 1.00 53.02 S ATOM 1224 CE MET A 83 2.893 2.958 3.018 1.00 43.40 C ATOM 0 H MET A 83 2.745 2.518 8.297 1.00 72.34 H new ATOM 0 HA MET A 83 5.465 2.898 7.476 1.00 63.41 H new ATOM 0 HB2 MET A 83 3.479 2.251 6.022 1.00 12.45 H new ATOM 0 HB3 MET A 83 2.891 3.893 6.196 1.00 12.45 H new ATOM 0 HG2 MET A 83 4.369 4.720 4.696 1.00 53.23 H new ATOM 0 HG3 MET A 83 5.701 3.779 5.337 1.00 53.23 H new ATOM 0 HE1 MET A 83 2.863 2.868 1.932 1.00 43.40 H new ATOM 0 HE2 MET A 83 2.188 2.253 3.460 1.00 43.40 H new ATOM 0 HE3 MET A 83 2.619 3.973 3.306 1.00 43.40 H new ATOM 1234 N GLY A 84 3.645 5.536 8.282 1.00 53.14 N ATOM 1235 CA GLY A 84 3.745 6.938 8.645 1.00 22.42 C ATOM 1236 C GLY A 84 2.626 7.772 8.054 1.00 64.44 C ATOM 1237 O GLY A 84 2.776 8.353 6.979 1.00 73.40 O ATOM 0 H GLY A 84 2.707 5.141 8.353 1.00 53.14 H new ATOM 0 HA2 GLY A 84 3.728 7.031 9.731 1.00 22.42 H new ATOM 0 HA3 GLY A 84 4.704 7.330 8.306 1.00 22.42 H new ATOM 1241 N PHE A 85 1.499 7.830 8.756 1.00 50.01 N ATOM 1242 CA PHE A 85 0.348 8.596 8.293 1.00 61.23 C ATOM 1243 C PHE A 85 -0.548 8.991 9.463 1.00 62.55 C ATOM 1244 O PHE A 85 -0.544 8.341 10.507 1.00 11.24 O ATOM 1245 CB PHE A 85 -0.453 7.786 7.271 1.00 11.32 C ATOM 1246 CG PHE A 85 -0.235 8.226 5.852 1.00 10.40 C ATOM 1247 CD1 PHE A 85 -0.697 9.458 5.416 1.00 12.24 C ATOM 1248 CD2 PHE A 85 0.433 7.409 4.954 1.00 32.01 C ATOM 1249 CE1 PHE A 85 -0.497 9.864 4.111 1.00 44.14 C ATOM 1250 CE2 PHE A 85 0.636 7.811 3.647 1.00 34.54 C ATOM 1251 CZ PHE A 85 0.171 9.040 3.225 1.00 3.52 C ATOM 0 H PHE A 85 1.358 7.355 9.648 1.00 50.01 H new ATOM 0 HA PHE A 85 0.715 9.505 7.817 1.00 61.23 H new ATOM 0 HB2 PHE A 85 -0.183 6.734 7.362 1.00 11.32 H new ATOM 0 HB3 PHE A 85 -1.514 7.865 7.508 1.00 11.32 H new ATOM 0 HD1 PHE A 85 -1.219 10.107 6.104 1.00 12.24 H new ATOM 0 HD2 PHE A 85 0.799 6.447 5.279 1.00 32.01 H new ATOM 0 HE1 PHE A 85 -0.863 10.826 3.783 1.00 44.14 H new ATOM 0 HE2 PHE A 85 1.158 7.164 2.957 1.00 34.54 H new ATOM 0 HZ PHE A 85 0.329 9.357 2.205 1.00 3.52 H new ATOM 1261 N GLU A 86 -1.317 10.061 9.277 1.00 24.34 N ATOM 1262 CA GLU A 86 -2.217 10.543 10.317 1.00 45.31 C ATOM 1263 C GLU A 86 -3.666 10.499 9.845 1.00 53.25 C ATOM 1264 O GLU A 86 -3.997 11.006 8.773 1.00 61.52 O ATOM 1265 CB GLU A 86 -1.844 11.971 10.723 1.00 14.22 C ATOM 1266 CG GLU A 86 -2.697 12.524 11.854 1.00 4.04 C ATOM 1267 CD GLU A 86 -2.223 13.883 12.329 1.00 14.14 C ATOM 1268 OE1 GLU A 86 -1.000 14.132 12.291 1.00 40.24 O ATOM 1269 OE2 GLU A 86 -3.074 14.699 12.739 1.00 12.25 O ATOM 0 H GLU A 86 -1.334 10.609 8.417 1.00 24.34 H new ATOM 0 HA GLU A 86 -2.115 9.888 11.183 1.00 45.31 H new ATOM 0 HB2 GLU A 86 -0.797 11.992 11.025 1.00 14.22 H new ATOM 0 HB3 GLU A 86 -1.939 12.623 9.855 1.00 14.22 H new ATOM 0 HG2 GLU A 86 -3.732 12.600 11.520 1.00 4.04 H new ATOM 0 HG3 GLU A 86 -2.683 11.825 12.690 1.00 4.04 H new ATOM 1276 N GLU A 87 -4.528 9.888 10.652 1.00 3.15 N ATOM 1277 CA GLU A 87 -5.943 9.776 10.316 1.00 0.23 C ATOM 1278 C GLU A 87 -6.688 11.062 10.662 1.00 32.14 C ATOM 1279 O GLU A 87 -6.758 11.458 11.825 1.00 60.33 O ATOM 1280 CB GLU A 87 -6.573 8.594 11.055 1.00 50.45 C ATOM 1281 CG GLU A 87 -8.055 8.416 10.767 1.00 0.54 C ATOM 1282 CD GLU A 87 -8.543 7.014 11.069 1.00 64.43 C ATOM 1283 OE1 GLU A 87 -8.663 6.669 12.263 1.00 63.33 O ATOM 1284 OE2 GLU A 87 -8.805 6.259 10.107 1.00 15.03 O ATOM 0 H GLU A 87 -4.271 9.463 11.543 1.00 3.15 H new ATOM 0 HA GLU A 87 -6.023 9.608 9.242 1.00 0.23 H new ATOM 0 HB2 GLU A 87 -6.046 7.681 10.779 1.00 50.45 H new ATOM 0 HB3 GLU A 87 -6.434 8.731 12.127 1.00 50.45 H new ATOM 0 HG2 GLU A 87 -8.625 9.131 11.360 1.00 0.54 H new ATOM 0 HG3 GLU A 87 -8.248 8.646 9.719 1.00 0.54 H new ATOM 1291 N GLY A 88 -7.242 11.710 9.643 1.00 1.10 N ATOM 1292 CA GLY A 88 -7.974 12.946 9.858 1.00 3.42 C ATOM 1293 C GLY A 88 -9.475 12.740 9.839 1.00 14.42 C ATOM 1294 O GLY A 88 -9.955 11.616 9.973 1.00 33.45 O ATOM 0 H GLY A 88 -7.198 11.402 8.672 1.00 1.10 H new ATOM 0 HA2 GLY A 88 -7.681 13.376 10.816 1.00 3.42 H new ATOM 0 HA3 GLY A 88 -7.699 13.666 9.088 1.00 3.42 H new ATOM 1298 N GLU A 89 -10.218 13.831 9.675 1.00 33.35 N ATOM 1299 CA GLU A 89 -11.674 13.765 9.643 1.00 25.11 C ATOM 1300 C GLU A 89 -12.178 13.563 8.217 1.00 45.15 C ATOM 1301 O GLU A 89 -13.042 12.724 7.962 1.00 35.14 O ATOM 1302 CB GLU A 89 -12.279 15.040 10.234 1.00 13.14 C ATOM 1303 CG GLU A 89 -12.848 14.852 11.630 1.00 33.13 C ATOM 1304 CD GLU A 89 -13.377 16.144 12.222 1.00 14.55 C ATOM 1305 OE1 GLU A 89 -12.556 17.025 12.554 1.00 10.43 O ATOM 1306 OE2 GLU A 89 -14.611 16.274 12.354 1.00 54.04 O ATOM 0 H GLU A 89 -9.835 14.770 9.562 1.00 33.35 H new ATOM 0 HA GLU A 89 -11.986 12.912 10.245 1.00 25.11 H new ATOM 0 HB2 GLU A 89 -11.514 15.815 10.264 1.00 13.14 H new ATOM 0 HB3 GLU A 89 -13.069 15.397 9.574 1.00 13.14 H new ATOM 0 HG2 GLU A 89 -13.652 14.117 11.595 1.00 33.13 H new ATOM 0 HG3 GLU A 89 -12.074 14.448 12.282 1.00 33.13 H new ATOM 1313 N THR A 90 -11.633 14.343 7.288 1.00 64.10 N ATOM 1314 CA THR A 90 -12.027 14.252 5.887 1.00 4.01 C ATOM 1315 C THR A 90 -10.850 13.836 5.011 1.00 71.44 C ATOM 1316 O THR A 90 -11.037 13.296 3.920 1.00 22.32 O ATOM 1317 CB THR A 90 -12.584 15.592 5.374 1.00 55.35 C ATOM 1318 OG1 THR A 90 -11.892 16.682 5.993 1.00 11.12 O ATOM 1319 CG2 THR A 90 -14.076 15.703 5.661 1.00 42.10 C ATOM 0 H THR A 90 -10.918 15.044 7.480 1.00 64.10 H new ATOM 0 HA THR A 90 -12.808 13.494 5.826 1.00 4.01 H new ATOM 0 HB THR A 90 -12.432 15.633 4.295 1.00 55.35 H new ATOM 0 HG1 THR A 90 -10.945 16.654 5.741 1.00 11.12 H new ATOM 0 HG21 THR A 90 -14.448 16.658 5.290 1.00 42.10 H new ATOM 0 HG22 THR A 90 -14.604 14.890 5.163 1.00 42.10 H new ATOM 0 HG23 THR A 90 -14.245 15.641 6.736 1.00 42.10 H new ATOM 1327 N HIS A 91 -9.638 14.090 5.494 1.00 55.23 N ATOM 1328 CA HIS A 91 -8.432 13.739 4.755 1.00 41.32 C ATOM 1329 C HIS A 91 -7.315 13.319 5.705 1.00 43.42 C ATOM 1330 O HIS A 91 -7.365 13.602 6.903 1.00 62.12 O ATOM 1331 CB HIS A 91 -7.972 14.920 3.899 1.00 41.24 C ATOM 1332 CG HIS A 91 -9.099 15.768 3.395 1.00 43.01 C ATOM 1333 ND1 HIS A 91 -9.712 16.738 4.160 1.00 22.52 N ATOM 1334 CD2 HIS A 91 -9.721 15.791 2.192 1.00 15.20 C ATOM 1335 CE1 HIS A 91 -10.665 17.317 3.451 1.00 43.21 C ATOM 1336 NE2 HIS A 91 -10.690 16.762 2.253 1.00 31.25 N ATOM 0 H HIS A 91 -9.466 14.538 6.394 1.00 55.23 H new ATOM 0 HA HIS A 91 -8.667 12.897 4.104 1.00 41.32 H new ATOM 0 HB2 HIS A 91 -7.295 15.541 4.485 1.00 41.24 H new ATOM 0 HB3 HIS A 91 -7.404 14.543 3.049 1.00 41.24 H new ATOM 0 HD2 HIS A 91 -9.497 15.163 1.343 1.00 15.20 H new ATOM 0 HE1 HIS A 91 -11.314 18.110 3.793 1.00 43.21 H new ATOM 0 HE2 HIS A 91 -11.326 17.014 1.496 1.00 31.25 H new ATOM 1344 N LEU A 92 -6.308 12.644 5.164 1.00 24.15 N ATOM 1345 CA LEU A 92 -5.177 12.183 5.964 1.00 71.21 C ATOM 1346 C LEU A 92 -3.990 13.131 5.825 1.00 64.54 C ATOM 1347 O LEU A 92 -3.749 13.685 4.752 1.00 4.41 O ATOM 1348 CB LEU A 92 -4.769 10.770 5.541 1.00 54.33 C ATOM 1349 CG LEU A 92 -5.168 9.644 6.493 1.00 34.43 C ATOM 1350 CD1 LEU A 92 -6.237 8.764 5.864 1.00 44.12 C ATOM 1351 CD2 LEU A 92 -3.952 8.814 6.878 1.00 60.22 C ATOM 0 H LEU A 92 -6.250 12.403 4.175 1.00 24.15 H new ATOM 0 HA LEU A 92 -5.485 12.167 7.009 1.00 71.21 H new ATOM 0 HB2 LEU A 92 -5.206 10.564 4.564 1.00 54.33 H new ATOM 0 HB3 LEU A 92 -3.686 10.748 5.417 1.00 54.33 H new ATOM 0 HG LEU A 92 -5.580 10.091 7.398 1.00 34.43 H new ATOM 0 HD11 LEU A 92 -6.508 7.968 6.558 1.00 44.12 H new ATOM 0 HD12 LEU A 92 -7.118 9.365 5.640 1.00 44.12 H new ATOM 0 HD13 LEU A 92 -5.853 8.327 4.942 1.00 44.12 H new ATOM 0 HD21 LEU A 92 -4.256 8.017 7.556 1.00 60.22 H new ATOM 0 HD22 LEU A 92 -3.510 8.379 5.982 1.00 60.22 H new ATOM 0 HD23 LEU A 92 -3.218 9.451 7.372 1.00 60.22 H new ATOM 1363 N ILE A 93 -3.252 13.309 6.915 1.00 13.14 N ATOM 1364 CA ILE A 93 -2.088 14.187 6.912 1.00 31.34 C ATOM 1365 C ILE A 93 -0.793 13.383 6.926 1.00 73.31 C ATOM 1366 O ILE A 93 -0.696 12.352 7.592 1.00 23.44 O ATOM 1367 CB ILE A 93 -2.098 15.139 8.123 1.00 54.21 C ATOM 1368 CG1 ILE A 93 -2.974 16.360 7.832 1.00 3.52 C ATOM 1369 CG2 ILE A 93 -0.682 15.565 8.474 1.00 43.53 C ATOM 1370 CD1 ILE A 93 -4.392 16.009 7.439 1.00 20.04 C ATOM 0 H ILE A 93 -3.439 12.858 7.811 1.00 13.14 H new ATOM 0 HA ILE A 93 -2.139 14.775 5.996 1.00 31.34 H new ATOM 0 HB ILE A 93 -2.518 14.611 8.979 1.00 54.21 H new ATOM 0 HG12 ILE A 93 -2.998 16.998 8.715 1.00 3.52 H new ATOM 0 HG13 ILE A 93 -2.517 16.942 7.031 1.00 3.52 H new ATOM 0 HG21 ILE A 93 -0.706 16.237 9.332 1.00 43.53 H new ATOM 0 HG22 ILE A 93 -0.088 14.685 8.720 1.00 43.53 H new ATOM 0 HG23 ILE A 93 -0.235 16.079 7.623 1.00 43.53 H new ATOM 0 HD11 ILE A 93 -4.954 16.923 7.248 1.00 20.04 H new ATOM 0 HD12 ILE A 93 -4.379 15.396 6.538 1.00 20.04 H new ATOM 0 HD13 ILE A 93 -4.867 15.454 8.248 1.00 20.04 H new ATOM 1382 N PHE A 94 0.201 13.860 6.184 1.00 50.42 N ATOM 1383 CA PHE A 94 1.492 13.185 6.109 1.00 41.53 C ATOM 1384 C PHE A 94 2.433 13.691 7.199 1.00 2.11 C ATOM 1385 O PHE A 94 2.768 14.873 7.265 1.00 40.31 O ATOM 1386 CB PHE A 94 2.125 13.400 4.733 1.00 54.13 C ATOM 1387 CG PHE A 94 3.108 12.331 4.351 1.00 21.42 C ATOM 1388 CD1 PHE A 94 4.436 12.422 4.738 1.00 35.12 C ATOM 1389 CD2 PHE A 94 2.705 11.235 3.605 1.00 0.25 C ATOM 1390 CE1 PHE A 94 5.342 11.438 4.390 1.00 44.31 C ATOM 1391 CE2 PHE A 94 3.607 10.250 3.253 1.00 21.35 C ATOM 1392 CZ PHE A 94 4.928 10.352 3.646 1.00 42.02 C ATOM 0 H PHE A 94 0.137 14.711 5.626 1.00 50.42 H new ATOM 0 HA PHE A 94 1.326 12.119 6.262 1.00 41.53 H new ATOM 0 HB2 PHE A 94 1.336 13.442 3.982 1.00 54.13 H new ATOM 0 HB3 PHE A 94 2.629 14.367 4.721 1.00 54.13 H new ATOM 0 HD1 PHE A 94 4.766 13.271 5.318 1.00 35.12 H new ATOM 0 HD2 PHE A 94 1.674 11.150 3.295 1.00 0.25 H new ATOM 0 HE1 PHE A 94 6.373 11.519 4.700 1.00 44.31 H new ATOM 0 HE2 PHE A 94 3.280 9.401 2.671 1.00 21.35 H new ATOM 0 HZ PHE A 94 5.635 9.583 3.371 1.00 42.02 H new ATOM 1402 N PRO A 95 2.870 12.773 8.074 1.00 1.04 N ATOM 1403 CA PRO A 95 3.778 13.101 9.177 1.00 13.02 C ATOM 1404 C PRO A 95 5.181 13.447 8.690 1.00 23.13 C ATOM 1405 O PRO A 95 5.730 12.775 7.817 1.00 63.52 O ATOM 1406 CB PRO A 95 3.802 11.817 10.010 1.00 1.14 C ATOM 1407 CG PRO A 95 3.462 10.734 9.046 1.00 23.24 C ATOM 1408 CD PRO A 95 2.511 11.345 8.054 1.00 11.31 C ATOM 0 HA PRO A 95 3.446 13.979 9.731 1.00 13.02 H new ATOM 0 HB2 PRO A 95 4.782 11.654 10.459 1.00 1.14 H new ATOM 0 HB3 PRO A 95 3.081 11.861 10.826 1.00 1.14 H new ATOM 0 HG2 PRO A 95 4.357 10.359 8.549 1.00 23.24 H new ATOM 0 HG3 PRO A 95 3.003 9.887 9.556 1.00 23.24 H new ATOM 0 HD2 PRO A 95 2.634 10.913 7.061 1.00 11.31 H new ATOM 0 HD3 PRO A 95 1.472 11.188 8.344 1.00 11.31 H new ATOM 1416 N LYS A 96 5.757 14.499 9.260 1.00 3.54 N ATOM 1417 CA LYS A 96 7.098 14.934 8.885 1.00 61.13 C ATOM 1418 C LYS A 96 8.138 13.885 9.268 1.00 54.22 C ATOM 1419 O LYS A 96 9.276 13.926 8.801 1.00 53.12 O ATOM 1420 CB LYS A 96 7.431 16.268 9.558 1.00 10.11 C ATOM 1421 CG LYS A 96 6.623 17.438 9.024 1.00 14.24 C ATOM 1422 CD LYS A 96 6.804 18.677 9.884 1.00 52.43 C ATOM 1423 CE LYS A 96 7.939 19.551 9.372 1.00 31.24 C ATOM 1424 NZ LYS A 96 7.542 20.325 8.164 1.00 43.21 N ATOM 0 H LYS A 96 5.317 15.067 9.984 1.00 3.54 H new ATOM 0 HA LYS A 96 7.121 15.064 7.803 1.00 61.13 H new ATOM 0 HB2 LYS A 96 7.258 16.177 10.630 1.00 10.11 H new ATOM 0 HB3 LYS A 96 8.492 16.478 9.423 1.00 10.11 H new ATOM 0 HG2 LYS A 96 6.929 17.656 8.001 1.00 14.24 H new ATOM 0 HG3 LYS A 96 5.568 17.168 8.991 1.00 14.24 H new ATOM 0 HD2 LYS A 96 5.878 19.252 9.895 1.00 52.43 H new ATOM 0 HD3 LYS A 96 7.008 18.380 10.913 1.00 52.43 H new ATOM 0 HE2 LYS A 96 8.250 20.239 10.158 1.00 31.24 H new ATOM 0 HE3 LYS A 96 8.800 18.926 9.136 1.00 31.24 H new ATOM 0 HZ1 LYS A 96 8.377 20.486 7.565 1.00 43.21 H new ATOM 0 HZ2 LYS A 96 6.829 19.790 7.628 1.00 43.21 H new ATOM 0 HZ3 LYS A 96 7.142 21.240 8.454 1.00 43.21 H new ATOM 1438 N LYS A 97 7.737 12.946 10.118 1.00 24.51 N ATOM 1439 CA LYS A 97 8.633 11.884 10.562 1.00 70.03 C ATOM 1440 C LYS A 97 8.692 10.757 9.535 1.00 12.01 C ATOM 1441 O LYS A 97 9.622 9.953 9.535 1.00 12.42 O ATOM 1442 CB LYS A 97 8.174 11.333 11.913 1.00 12.10 C ATOM 1443 CG LYS A 97 8.191 12.364 13.029 1.00 22.15 C ATOM 1444 CD LYS A 97 6.936 12.287 13.881 1.00 73.31 C ATOM 1445 CE LYS A 97 5.920 13.342 13.473 1.00 65.24 C ATOM 1446 NZ LYS A 97 5.424 14.116 14.645 1.00 23.31 N ATOM 0 H LYS A 97 6.798 12.898 10.513 1.00 24.51 H new ATOM 0 HA LYS A 97 9.632 12.307 10.669 1.00 70.03 H new ATOM 0 HB2 LYS A 97 7.163 10.938 11.810 1.00 12.10 H new ATOM 0 HB3 LYS A 97 8.816 10.497 12.192 1.00 12.10 H new ATOM 0 HG2 LYS A 97 9.068 12.207 13.657 1.00 22.15 H new ATOM 0 HG3 LYS A 97 8.280 13.363 12.601 1.00 22.15 H new ATOM 0 HD2 LYS A 97 6.491 11.296 13.787 1.00 73.31 H new ATOM 0 HD3 LYS A 97 7.199 12.420 14.930 1.00 73.31 H new ATOM 0 HE2 LYS A 97 6.373 14.023 12.753 1.00 65.24 H new ATOM 0 HE3 LYS A 97 5.079 12.862 12.972 1.00 65.24 H new ATOM 0 HZ1 LYS A 97 4.733 14.825 14.326 1.00 23.31 H new ATOM 0 HZ2 LYS A 97 4.969 13.469 15.321 1.00 23.31 H new ATOM 0 HZ3 LYS A 97 6.223 14.595 15.108 1.00 23.31 H new ATOM 1460 N ALA A 98 7.692 10.708 8.661 1.00 62.42 N ATOM 1461 CA ALA A 98 7.632 9.682 7.626 1.00 64.20 C ATOM 1462 C ALA A 98 8.766 9.851 6.620 1.00 53.22 C ATOM 1463 O ALA A 98 8.997 10.947 6.109 1.00 10.32 O ATOM 1464 CB ALA A 98 6.286 9.722 6.919 1.00 12.25 C ATOM 0 H ALA A 98 6.913 11.366 8.649 1.00 62.42 H new ATOM 0 HA ALA A 98 7.748 8.710 8.106 1.00 64.20 H new ATOM 0 HB1 ALA A 98 6.256 8.951 6.149 1.00 12.25 H new ATOM 0 HB2 ALA A 98 5.490 9.544 7.642 1.00 12.25 H new ATOM 0 HB3 ALA A 98 6.146 10.700 6.458 1.00 12.25 H new ATOM 1470 N SER A 99 9.469 8.759 6.339 1.00 23.41 N ATOM 1471 CA SER A 99 10.582 8.787 5.396 1.00 54.34 C ATOM 1472 C SER A 99 10.110 8.434 3.988 1.00 14.14 C ATOM 1473 O SER A 99 9.741 7.291 3.715 1.00 62.01 O ATOM 1474 CB SER A 99 11.678 7.817 5.839 1.00 61.11 C ATOM 1475 OG SER A 99 11.246 7.023 6.930 1.00 71.11 O ATOM 0 H SER A 99 9.288 7.843 6.751 1.00 23.41 H new ATOM 0 HA SER A 99 10.988 9.798 5.380 1.00 54.34 H new ATOM 0 HB2 SER A 99 11.957 7.173 5.005 1.00 61.11 H new ATOM 0 HB3 SER A 99 12.570 8.376 6.123 1.00 61.11 H new ATOM 0 HG SER A 99 11.964 6.410 7.193 1.00 71.11 H new ATOM 1481 N VAL A 100 10.125 9.422 3.100 1.00 3.32 N ATOM 1482 CA VAL A 100 9.701 9.216 1.720 1.00 14.21 C ATOM 1483 C VAL A 100 10.624 8.238 1.002 1.00 34.50 C ATOM 1484 O VAL A 100 10.258 7.664 -0.023 1.00 71.22 O ATOM 1485 CB VAL A 100 9.669 10.543 0.939 1.00 11.43 C ATOM 1486 CG1 VAL A 100 11.078 11.084 0.747 1.00 54.23 C ATOM 1487 CG2 VAL A 100 8.974 10.355 -0.401 1.00 0.44 C ATOM 0 H VAL A 100 10.426 10.373 3.311 1.00 3.32 H new ATOM 0 HA VAL A 100 8.694 8.800 1.757 1.00 14.21 H new ATOM 0 HB VAL A 100 9.102 11.272 1.518 1.00 11.43 H new ATOM 0 HG11 VAL A 100 11.035 12.022 0.193 1.00 54.23 H new ATOM 0 HG12 VAL A 100 11.537 11.258 1.720 1.00 54.23 H new ATOM 0 HG13 VAL A 100 11.673 10.360 0.190 1.00 54.23 H new ATOM 0 HG21 VAL A 100 8.960 11.302 -0.940 1.00 0.44 H new ATOM 0 HG22 VAL A 100 9.512 9.611 -0.989 1.00 0.44 H new ATOM 0 HG23 VAL A 100 7.951 10.017 -0.236 1.00 0.44 H new ATOM 1497 N GLU A 101 11.822 8.054 1.548 1.00 20.20 N ATOM 1498 CA GLU A 101 12.798 7.144 0.957 1.00 55.34 C ATOM 1499 C GLU A 101 12.384 5.690 1.169 1.00 51.51 C ATOM 1500 O GLU A 101 12.467 4.872 0.254 1.00 24.11 O ATOM 1501 CB GLU A 101 14.183 7.385 1.561 1.00 53.42 C ATOM 1502 CG GLU A 101 14.763 8.749 1.226 1.00 41.33 C ATOM 1503 CD GLU A 101 16.252 8.834 1.503 1.00 24.53 C ATOM 1504 OE1 GLU A 101 16.981 7.896 1.117 1.00 11.51 O ATOM 1505 OE2 GLU A 101 16.687 9.836 2.108 1.00 24.41 O ATOM 0 H GLU A 101 12.140 8.522 2.397 1.00 20.20 H new ATOM 0 HA GLU A 101 12.838 7.340 -0.115 1.00 55.34 H new ATOM 0 HB2 GLU A 101 14.121 7.282 2.644 1.00 53.42 H new ATOM 0 HB3 GLU A 101 14.865 6.612 1.206 1.00 53.42 H new ATOM 0 HG2 GLU A 101 14.580 8.969 0.174 1.00 41.33 H new ATOM 0 HG3 GLU A 101 14.245 9.512 1.807 1.00 41.33 H new ATOM 1512 N GLN A 102 11.939 5.379 2.382 1.00 72.23 N ATOM 1513 CA GLN A 102 11.515 4.024 2.714 1.00 11.32 C ATOM 1514 C GLN A 102 10.142 3.723 2.120 1.00 5.23 C ATOM 1515 O GLN A 102 9.850 2.583 1.756 1.00 74.54 O ATOM 1516 CB GLN A 102 11.480 3.837 4.232 1.00 73.10 C ATOM 1517 CG GLN A 102 10.165 4.261 4.867 1.00 51.15 C ATOM 1518 CD GLN A 102 9.126 3.157 4.852 1.00 4.23 C ATOM 1519 OE1 GLN A 102 9.400 2.026 5.258 1.00 23.41 O ATOM 1520 NE2 GLN A 102 7.925 3.478 4.384 1.00 62.00 N ATOM 0 H GLN A 102 11.863 6.046 3.150 1.00 72.23 H new ATOM 0 HA GLN A 102 12.236 3.328 2.286 1.00 11.32 H new ATOM 0 HB2 GLN A 102 11.665 2.788 4.465 1.00 73.10 H new ATOM 0 HB3 GLN A 102 12.292 4.411 4.679 1.00 73.10 H new ATOM 0 HG2 GLN A 102 10.346 4.570 5.896 1.00 51.15 H new ATOM 0 HG3 GLN A 102 9.774 5.130 4.338 1.00 51.15 H new ATOM 0 HE21 GLN A 102 7.742 4.427 4.058 1.00 62.00 H new ATOM 0 HE22 GLN A 102 7.186 2.776 4.351 1.00 62.00 H new ATOM 1529 N LEU A 103 9.305 4.750 2.027 1.00 42.51 N ATOM 1530 CA LEU A 103 7.964 4.595 1.477 1.00 54.44 C ATOM 1531 C LEU A 103 8.019 4.231 -0.004 1.00 2.53 C ATOM 1532 O LEU A 103 7.190 3.468 -0.495 1.00 74.22 O ATOM 1533 CB LEU A 103 7.161 5.884 1.667 1.00 60.04 C ATOM 1534 CG LEU A 103 5.790 5.731 2.325 1.00 11.42 C ATOM 1535 CD1 LEU A 103 5.283 7.075 2.824 1.00 2.21 C ATOM 1536 CD2 LEU A 103 4.798 5.113 1.353 1.00 73.41 C ATOM 0 H LEU A 103 9.532 5.699 2.325 1.00 42.51 H new ATOM 0 HA LEU A 103 7.471 3.784 2.013 1.00 54.44 H new ATOM 0 HB2 LEU A 103 7.755 6.573 2.268 1.00 60.04 H new ATOM 0 HB3 LEU A 103 7.023 6.349 0.691 1.00 60.04 H new ATOM 0 HG LEU A 103 5.893 5.064 3.181 1.00 11.42 H new ATOM 0 HD11 LEU A 103 4.306 6.945 3.289 1.00 2.21 H new ATOM 0 HD12 LEU A 103 5.983 7.479 3.556 1.00 2.21 H new ATOM 0 HD13 LEU A 103 5.197 7.766 1.985 1.00 2.21 H new ATOM 0 HD21 LEU A 103 3.828 5.012 1.839 1.00 73.41 H new ATOM 0 HD22 LEU A 103 4.700 5.754 0.477 1.00 73.41 H new ATOM 0 HD23 LEU A 103 5.154 4.130 1.046 1.00 73.41 H new ATOM 1548 N GLN A 104 9.004 4.782 -0.705 1.00 23.41 N ATOM 1549 CA GLN A 104 9.170 4.513 -2.129 1.00 22.14 C ATOM 1550 C GLN A 104 9.634 3.078 -2.363 1.00 1.53 C ATOM 1551 O GLN A 104 9.234 2.434 -3.332 1.00 72.04 O ATOM 1552 CB GLN A 104 10.173 5.492 -2.742 1.00 21.11 C ATOM 1553 CG GLN A 104 10.093 5.576 -4.257 1.00 74.23 C ATOM 1554 CD GLN A 104 11.220 4.831 -4.944 1.00 41.23 C ATOM 1555 OE1 GLN A 104 12.346 5.324 -5.025 1.00 73.11 O ATOM 1556 NE2 GLN A 104 10.923 3.637 -5.443 1.00 22.31 N ATOM 0 H GLN A 104 9.699 5.417 -0.311 1.00 23.41 H new ATOM 0 HA GLN A 104 8.202 4.646 -2.612 1.00 22.14 H new ATOM 0 HB2 GLN A 104 10.003 6.483 -2.322 1.00 21.11 H new ATOM 0 HB3 GLN A 104 11.181 5.193 -2.456 1.00 21.11 H new ATOM 0 HG2 GLN A 104 9.138 5.169 -4.590 1.00 74.23 H new ATOM 0 HG3 GLN A 104 10.117 6.623 -4.561 1.00 74.23 H new ATOM 0 HE21 GLN A 104 9.977 3.268 -5.353 1.00 22.31 H new ATOM 0 HE22 GLN A 104 11.641 3.089 -5.916 1.00 22.31 H new ATOM 1565 N LYS A 105 10.482 2.585 -1.467 1.00 30.24 N ATOM 1566 CA LYS A 105 11.001 1.225 -1.574 1.00 25.15 C ATOM 1567 C LYS A 105 9.903 0.201 -1.308 1.00 51.31 C ATOM 1568 O LYS A 105 9.772 -0.785 -2.035 1.00 33.05 O ATOM 1569 CB LYS A 105 12.155 1.019 -0.589 1.00 41.34 C ATOM 1570 CG LYS A 105 13.140 -0.052 -1.023 1.00 0.35 C ATOM 1571 CD LYS A 105 13.939 -0.585 0.156 1.00 54.21 C ATOM 1572 CE LYS A 105 15.297 0.094 0.262 1.00 75.00 C ATOM 1573 NZ LYS A 105 15.897 -0.075 1.613 1.00 32.05 N ATOM 0 H LYS A 105 10.825 3.105 -0.659 1.00 30.24 H new ATOM 0 HA LYS A 105 11.368 1.082 -2.590 1.00 25.15 H new ATOM 0 HB2 LYS A 105 12.688 1.962 -0.464 1.00 41.34 H new ATOM 0 HB3 LYS A 105 11.747 0.752 0.386 1.00 41.34 H new ATOM 0 HG2 LYS A 105 12.602 -0.871 -1.499 1.00 0.35 H new ATOM 0 HG3 LYS A 105 13.820 0.359 -1.769 1.00 0.35 H new ATOM 0 HD2 LYS A 105 13.379 -0.427 1.078 1.00 54.21 H new ATOM 0 HD3 LYS A 105 14.076 -1.661 0.047 1.00 54.21 H new ATOM 0 HE2 LYS A 105 15.970 -0.321 -0.489 1.00 75.00 H new ATOM 0 HE3 LYS A 105 15.190 1.156 0.042 1.00 75.00 H new ATOM 0 HZ1 LYS A 105 16.821 0.401 1.645 1.00 32.05 H new ATOM 0 HZ2 LYS A 105 15.267 0.343 2.327 1.00 32.05 H new ATOM 0 HZ3 LYS A 105 16.023 -1.088 1.813 1.00 32.05 H new ATOM 1587 N ILE A 106 9.118 0.440 -0.264 1.00 55.24 N ATOM 1588 CA ILE A 106 8.029 -0.461 0.095 1.00 40.23 C ATOM 1589 C ILE A 106 6.882 -0.364 -0.906 1.00 0.34 C ATOM 1590 O ILE A 106 6.339 -1.378 -1.342 1.00 32.21 O ATOM 1591 CB ILE A 106 7.489 -0.158 1.506 1.00 24.31 C ATOM 1592 CG1 ILE A 106 6.349 -1.116 1.856 1.00 21.10 C ATOM 1593 CG2 ILE A 106 7.023 1.287 1.596 1.00 33.42 C ATOM 1594 CD1 ILE A 106 5.714 -0.834 3.199 1.00 41.41 C ATOM 0 H ILE A 106 9.215 1.250 0.349 1.00 55.24 H new ATOM 0 HA ILE A 106 8.438 -1.471 0.080 1.00 40.23 H new ATOM 0 HB ILE A 106 8.294 -0.304 2.226 1.00 24.31 H new ATOM 0 HG12 ILE A 106 5.584 -1.056 1.082 1.00 21.10 H new ATOM 0 HG13 ILE A 106 6.729 -2.138 1.850 1.00 21.10 H new ATOM 0 HG21 ILE A 106 6.644 1.485 2.599 1.00 33.42 H new ATOM 0 HG22 ILE A 106 7.860 1.953 1.386 1.00 33.42 H new ATOM 0 HG23 ILE A 106 6.230 1.460 0.868 1.00 33.42 H new ATOM 0 HD11 ILE A 106 4.914 -1.552 3.381 1.00 41.41 H new ATOM 0 HD12 ILE A 106 6.466 -0.923 3.983 1.00 41.41 H new ATOM 0 HD13 ILE A 106 5.304 0.176 3.203 1.00 41.41 H new ATOM 1606 N ARG A 107 6.522 0.863 -1.267 1.00 62.34 N ATOM 1607 CA ARG A 107 5.440 1.092 -2.218 1.00 33.02 C ATOM 1608 C ARG A 107 5.814 0.576 -3.604 1.00 23.52 C ATOM 1609 O ARG A 107 4.951 0.173 -4.383 1.00 61.40 O ATOM 1610 CB ARG A 107 5.104 2.582 -2.291 1.00 13.52 C ATOM 1611 CG ARG A 107 6.080 3.386 -3.134 1.00 52.54 C ATOM 1612 CD ARG A 107 5.603 3.510 -4.573 1.00 10.52 C ATOM 1613 NE ARG A 107 6.710 3.742 -5.498 1.00 11.15 N ATOM 1614 CZ ARG A 107 6.553 4.229 -6.724 1.00 60.31 C ATOM 1615 NH1 ARG A 107 5.342 4.532 -7.170 1.00 51.22 N ATOM 1616 NH2 ARG A 107 7.608 4.411 -7.507 1.00 42.31 N ATOM 0 H ARG A 107 6.963 1.713 -0.916 1.00 62.34 H new ATOM 0 HA ARG A 107 4.564 0.545 -1.870 1.00 33.02 H new ATOM 0 HB2 ARG A 107 4.101 2.700 -2.700 1.00 13.52 H new ATOM 0 HB3 ARG A 107 5.086 2.992 -1.281 1.00 13.52 H new ATOM 0 HG2 ARG A 107 6.202 4.380 -2.703 1.00 52.54 H new ATOM 0 HG3 ARG A 107 7.059 2.908 -3.114 1.00 52.54 H new ATOM 0 HD2 ARG A 107 5.075 2.600 -4.860 1.00 10.52 H new ATOM 0 HD3 ARG A 107 4.889 4.330 -4.649 1.00 10.52 H new ATOM 0 HE ARG A 107 7.655 3.518 -5.185 1.00 11.15 H new ATOM 0 HH11 ARG A 107 4.528 4.391 -6.571 1.00 51.22 H new ATOM 0 HH12 ARG A 107 5.224 4.906 -8.112 1.00 51.22 H new ATOM 0 HH21 ARG A 107 8.541 4.177 -7.168 1.00 42.31 H new ATOM 0 HH22 ARG A 107 7.486 4.785 -8.448 1.00 42.31 H new ATOM 1630 N ASP A 108 7.110 0.591 -3.905 1.00 75.01 N ATOM 1631 CA ASP A 108 7.599 0.124 -5.196 1.00 2.04 C ATOM 1632 C ASP A 108 7.238 -1.342 -5.417 1.00 74.13 C ATOM 1633 O ASP A 108 6.947 -1.757 -6.539 1.00 20.12 O ATOM 1634 CB ASP A 108 9.116 0.306 -5.286 1.00 61.44 C ATOM 1635 CG ASP A 108 9.734 -0.523 -6.394 1.00 52.13 C ATOM 1636 OD1 ASP A 108 10.100 -1.687 -6.130 1.00 3.44 O ATOM 1637 OD2 ASP A 108 9.852 -0.009 -7.526 1.00 4.34 O ATOM 0 H ASP A 108 7.839 0.921 -3.272 1.00 75.01 H new ATOM 0 HA ASP A 108 7.121 0.719 -5.974 1.00 2.04 H new ATOM 0 HB2 ASP A 108 9.343 1.359 -5.454 1.00 61.44 H new ATOM 0 HB3 ASP A 108 9.569 0.030 -4.334 1.00 61.44 H new ATOM 1642 N LEU A 109 7.258 -2.120 -4.340 1.00 63.40 N ATOM 1643 CA LEU A 109 6.933 -3.539 -4.417 1.00 75.43 C ATOM 1644 C LEU A 109 5.487 -3.744 -4.856 1.00 14.42 C ATOM 1645 O LEU A 109 5.201 -4.576 -5.718 1.00 31.52 O ATOM 1646 CB LEU A 109 7.167 -4.210 -3.062 1.00 75.44 C ATOM 1647 CG LEU A 109 8.558 -4.804 -2.838 1.00 14.42 C ATOM 1648 CD1 LEU A 109 8.746 -6.055 -3.681 1.00 64.25 C ATOM 1649 CD2 LEU A 109 9.634 -3.776 -3.157 1.00 13.04 C ATOM 0 H LEU A 109 7.496 -1.792 -3.404 1.00 63.40 H new ATOM 0 HA LEU A 109 7.587 -3.996 -5.160 1.00 75.43 H new ATOM 0 HB2 LEU A 109 6.977 -3.477 -2.278 1.00 75.44 H new ATOM 0 HB3 LEU A 109 6.431 -5.005 -2.941 1.00 75.44 H new ATOM 0 HG LEU A 109 8.649 -5.082 -1.788 1.00 14.42 H new ATOM 0 HD11 LEU A 109 9.742 -6.464 -3.508 1.00 64.25 H new ATOM 0 HD12 LEU A 109 7.996 -6.796 -3.404 1.00 64.25 H new ATOM 0 HD13 LEU A 109 8.635 -5.803 -4.736 1.00 64.25 H new ATOM 0 HD21 LEU A 109 10.618 -4.216 -2.992 1.00 13.04 H new ATOM 0 HD22 LEU A 109 9.545 -3.467 -4.198 1.00 13.04 H new ATOM 0 HD23 LEU A 109 9.511 -2.908 -2.509 1.00 13.04 H new ATOM 1661 N ILE A 110 4.579 -2.979 -4.259 1.00 20.12 N ATOM 1662 CA ILE A 110 3.162 -3.075 -4.592 1.00 1.13 C ATOM 1663 C ILE A 110 2.887 -2.521 -5.985 1.00 30.21 C ATOM 1664 O ILE A 110 2.193 -3.147 -6.786 1.00 71.31 O ATOM 1665 CB ILE A 110 2.293 -2.319 -3.569 1.00 70.24 C ATOM 1666 CG1 ILE A 110 2.480 -2.910 -2.172 1.00 12.34 C ATOM 1667 CG2 ILE A 110 0.829 -2.369 -3.980 1.00 22.51 C ATOM 1668 CD1 ILE A 110 3.605 -2.268 -1.389 1.00 40.55 C ATOM 0 H ILE A 110 4.799 -2.286 -3.543 1.00 20.12 H new ATOM 0 HA ILE A 110 2.901 -4.133 -4.567 1.00 1.13 H new ATOM 0 HB ILE A 110 2.609 -1.276 -3.546 1.00 70.24 H new ATOM 0 HG12 ILE A 110 1.551 -2.801 -1.613 1.00 12.34 H new ATOM 0 HG13 ILE A 110 2.674 -3.979 -2.262 1.00 12.34 H new ATOM 0 HG21 ILE A 110 0.227 -1.831 -3.248 1.00 22.51 H new ATOM 0 HG22 ILE A 110 0.710 -1.905 -4.959 1.00 22.51 H new ATOM 0 HG23 ILE A 110 0.500 -3.407 -4.028 1.00 22.51 H new ATOM 0 HD11 ILE A 110 3.679 -2.737 -0.408 1.00 40.55 H new ATOM 0 HD12 ILE A 110 4.544 -2.400 -1.927 1.00 40.55 H new ATOM 0 HD13 ILE A 110 3.403 -1.204 -1.268 1.00 40.55 H new ATOM 1680 N ALA A 111 3.436 -1.345 -6.268 1.00 43.13 N ATOM 1681 CA ALA A 111 3.252 -0.709 -7.567 1.00 44.34 C ATOM 1682 C ALA A 111 3.667 -1.641 -8.699 1.00 31.15 C ATOM 1683 O ALA A 111 2.952 -1.785 -9.691 1.00 12.21 O ATOM 1684 CB ALA A 111 4.042 0.591 -7.635 1.00 21.34 C ATOM 0 H ALA A 111 4.012 -0.813 -5.616 1.00 43.13 H new ATOM 0 HA ALA A 111 2.192 -0.485 -7.687 1.00 44.34 H new ATOM 0 HB1 ALA A 111 3.895 1.055 -8.610 1.00 21.34 H new ATOM 0 HB2 ALA A 111 3.695 1.269 -6.855 1.00 21.34 H new ATOM 0 HB3 ALA A 111 5.102 0.381 -7.489 1.00 21.34 H new ATOM 1690 N ILE A 112 4.824 -2.275 -8.545 1.00 5.43 N ATOM 1691 CA ILE A 112 5.333 -3.194 -9.554 1.00 64.21 C ATOM 1692 C ILE A 112 4.561 -4.509 -9.539 1.00 54.22 C ATOM 1693 O ILE A 112 4.361 -5.134 -10.579 1.00 71.44 O ATOM 1694 CB ILE A 112 6.830 -3.489 -9.344 1.00 3.45 C ATOM 1695 CG1 ILE A 112 7.425 -4.140 -10.595 1.00 43.31 C ATOM 1696 CG2 ILE A 112 7.029 -4.384 -8.130 1.00 42.10 C ATOM 1697 CD1 ILE A 112 7.362 -5.651 -10.578 1.00 41.24 C ATOM 0 H ILE A 112 5.427 -2.169 -7.729 1.00 5.43 H new ATOM 0 HA ILE A 112 5.199 -2.707 -10.520 1.00 64.21 H new ATOM 0 HB ILE A 112 7.348 -2.547 -9.166 1.00 3.45 H new ATOM 0 HG12 ILE A 112 6.895 -3.772 -11.473 1.00 43.31 H new ATOM 0 HG13 ILE A 112 8.465 -3.829 -10.697 1.00 43.31 H new ATOM 0 HG21 ILE A 112 8.092 -4.583 -7.995 1.00 42.10 H new ATOM 0 HG22 ILE A 112 6.638 -3.886 -7.243 1.00 42.10 H new ATOM 0 HG23 ILE A 112 6.500 -5.325 -8.281 1.00 42.10 H new ATOM 0 HD11 ILE A 112 7.801 -6.044 -11.495 1.00 41.24 H new ATOM 0 HD12 ILE A 112 7.917 -6.029 -9.719 1.00 41.24 H new ATOM 0 HD13 ILE A 112 6.322 -5.971 -10.508 1.00 41.24 H new ATOM 1709 N GLU A 113 4.129 -4.921 -8.351 1.00 21.24 N ATOM 1710 CA GLU A 113 3.377 -6.161 -8.202 1.00 35.22 C ATOM 1711 C GLU A 113 2.098 -6.126 -9.032 1.00 11.04 C ATOM 1712 O GLU A 113 1.678 -7.141 -9.589 1.00 75.12 O ATOM 1713 CB GLU A 113 3.036 -6.403 -6.730 1.00 23.15 C ATOM 1714 CG GLU A 113 3.908 -7.458 -6.068 1.00 72.32 C ATOM 1715 CD GLU A 113 3.208 -8.797 -5.939 1.00 14.20 C ATOM 1716 OE1 GLU A 113 2.523 -9.203 -6.903 1.00 52.52 O ATOM 1717 OE2 GLU A 113 3.344 -9.438 -4.878 1.00 32.11 O ATOM 0 H GLU A 113 4.287 -4.415 -7.479 1.00 21.24 H new ATOM 0 HA GLU A 113 4.001 -6.979 -8.563 1.00 35.22 H new ATOM 0 HB2 GLU A 113 3.137 -5.465 -6.184 1.00 23.15 H new ATOM 0 HB3 GLU A 113 1.992 -6.706 -6.653 1.00 23.15 H new ATOM 0 HG2 GLU A 113 4.822 -7.585 -6.648 1.00 72.32 H new ATOM 0 HG3 GLU A 113 4.204 -7.110 -5.078 1.00 72.32 H new ATOM 1724 N ARG A 114 1.483 -4.951 -9.108 1.00 73.31 N ATOM 1725 CA ARG A 114 0.249 -4.783 -9.868 1.00 40.41 C ATOM 1726 C ARG A 114 0.460 -5.149 -11.335 1.00 20.44 C ATOM 1727 O ARG A 114 -0.371 -5.825 -11.941 1.00 42.45 O ATOM 1728 CB ARG A 114 -0.250 -3.341 -9.759 1.00 13.30 C ATOM 1729 CG ARG A 114 -1.409 -3.169 -8.791 1.00 60.42 C ATOM 1730 CD ARG A 114 -1.040 -3.632 -7.391 1.00 32.54 C ATOM 1731 NE ARG A 114 -1.264 -5.065 -7.212 1.00 54.23 N ATOM 1732 CZ ARG A 114 -0.602 -5.808 -6.332 1.00 24.14 C ATOM 1733 NH1 ARG A 114 0.323 -5.257 -5.559 1.00 23.52 N ATOM 1734 NH2 ARG A 114 -0.864 -7.105 -6.227 1.00 63.04 N ATOM 0 H ARG A 114 1.818 -4.102 -8.653 1.00 73.31 H new ATOM 0 HA ARG A 114 -0.501 -5.453 -9.448 1.00 40.41 H new ATOM 0 HB2 ARG A 114 0.575 -2.703 -9.442 1.00 13.30 H new ATOM 0 HB3 ARG A 114 -0.558 -2.996 -10.746 1.00 13.30 H new ATOM 0 HG2 ARG A 114 -1.707 -2.121 -8.762 1.00 60.42 H new ATOM 0 HG3 ARG A 114 -2.269 -3.735 -9.148 1.00 60.42 H new ATOM 0 HD2 ARG A 114 0.008 -3.402 -7.197 1.00 32.54 H new ATOM 0 HD3 ARG A 114 -1.629 -3.079 -6.659 1.00 32.54 H new ATOM 0 HE ARG A 114 -1.967 -5.520 -7.795 1.00 54.23 H new ATOM 0 HH11 ARG A 114 0.528 -4.261 -5.639 1.00 23.52 H new ATOM 0 HH12 ARG A 114 0.830 -5.829 -4.884 1.00 23.52 H new ATOM 0 HH21 ARG A 114 -1.574 -7.532 -6.822 1.00 63.04 H new ATOM 0 HH22 ARG A 114 -0.355 -7.675 -5.551 1.00 63.04 H new ATOM 1748 N SER A 115 1.576 -4.699 -11.897 1.00 50.11 N ATOM 1749 CA SER A 115 1.896 -4.975 -13.294 1.00 55.20 C ATOM 1750 C SER A 115 2.125 -6.468 -13.513 1.00 3.42 C ATOM 1751 O SER A 115 1.805 -7.007 -14.572 1.00 43.55 O ATOM 1752 CB SER A 115 3.135 -4.188 -13.721 1.00 62.34 C ATOM 1753 OG SER A 115 3.409 -3.135 -12.813 1.00 41.11 O ATOM 0 H SER A 115 2.275 -4.141 -11.407 1.00 50.11 H new ATOM 0 HA SER A 115 1.049 -4.662 -13.904 1.00 55.20 H new ATOM 0 HB2 SER A 115 3.994 -4.857 -13.776 1.00 62.34 H new ATOM 0 HB3 SER A 115 2.984 -3.780 -14.721 1.00 62.34 H new ATOM 0 HG SER A 115 4.207 -2.648 -13.108 1.00 41.11 H new ATOM 1759 N SER A 116 2.681 -7.129 -12.503 1.00 24.14 N ATOM 1760 CA SER A 116 2.958 -8.559 -12.586 1.00 50.35 C ATOM 1761 C SER A 116 1.666 -9.353 -12.749 1.00 21.22 C ATOM 1762 O SER A 116 1.644 -10.397 -13.401 1.00 21.32 O ATOM 1763 CB SER A 116 3.704 -9.028 -11.336 1.00 3.42 C ATOM 1764 OG SER A 116 4.816 -9.836 -11.680 1.00 35.55 O ATOM 0 H SER A 116 2.949 -6.698 -11.618 1.00 24.14 H new ATOM 0 HA SER A 116 3.584 -8.733 -13.461 1.00 50.35 H new ATOM 0 HB2 SER A 116 4.041 -8.164 -10.764 1.00 3.42 H new ATOM 0 HB3 SER A 116 3.026 -9.590 -10.694 1.00 3.42 H new ATOM 0 HG SER A 116 5.278 -10.122 -10.864 1.00 35.55 H new ATOM 1770 N ARG A 117 0.590 -8.850 -12.152 1.00 32.53 N ATOM 1771 CA ARG A 117 -0.707 -9.513 -12.228 1.00 21.15 C ATOM 1772 C ARG A 117 -1.359 -9.274 -13.586 1.00 61.12 C ATOM 1773 O ARG A 117 -2.154 -10.090 -14.058 1.00 62.10 O ATOM 1774 CB ARG A 117 -1.626 -9.012 -11.113 1.00 24.03 C ATOM 1775 CG ARG A 117 -2.974 -9.715 -11.073 1.00 44.13 C ATOM 1776 CD ARG A 117 -4.122 -8.718 -11.106 1.00 65.34 C ATOM 1777 NE ARG A 117 -5.411 -9.361 -10.867 1.00 62.50 N ATOM 1778 CZ ARG A 117 -6.560 -8.700 -10.794 1.00 73.15 C ATOM 1779 NH1 ARG A 117 -6.582 -7.382 -10.941 1.00 5.14 N ATOM 1780 NH2 ARG A 117 -7.692 -9.355 -10.574 1.00 74.31 N ATOM 0 H ARG A 117 0.591 -7.986 -11.610 1.00 32.53 H new ATOM 0 HA ARG A 117 -0.548 -10.584 -12.103 1.00 21.15 H new ATOM 0 HB2 ARG A 117 -1.127 -9.147 -10.154 1.00 24.03 H new ATOM 0 HB3 ARG A 117 -1.788 -7.942 -11.240 1.00 24.03 H new ATOM 0 HG2 ARG A 117 -3.056 -10.395 -11.921 1.00 44.13 H new ATOM 0 HG3 ARG A 117 -3.043 -10.322 -10.170 1.00 44.13 H new ATOM 0 HD2 ARG A 117 -3.956 -7.948 -10.353 1.00 65.34 H new ATOM 0 HD3 ARG A 117 -4.140 -8.218 -12.074 1.00 65.34 H new ATOM 0 HE ARG A 117 -5.430 -10.374 -10.750 1.00 62.50 H new ATOM 0 HH11 ARG A 117 -5.714 -6.873 -11.111 1.00 5.14 H new ATOM 0 HH12 ARG A 117 -7.467 -6.877 -10.884 1.00 5.14 H new ATOM 0 HH21 ARG A 117 -7.681 -10.369 -10.460 1.00 74.31 H new ATOM 0 HH22 ARG A 117 -8.574 -8.845 -10.518 1.00 74.31 H new ATOM 1794 N LEU A 118 -1.019 -8.153 -14.212 1.00 42.20 N ATOM 1795 CA LEU A 118 -1.572 -7.805 -15.516 1.00 61.45 C ATOM 1796 C LEU A 118 -1.101 -8.785 -16.585 1.00 22.22 C ATOM 1797 O LEU A 118 -1.908 -9.364 -17.312 1.00 53.01 O ATOM 1798 CB LEU A 118 -1.169 -6.381 -15.901 1.00 33.33 C ATOM 1799 CG LEU A 118 -1.856 -5.799 -17.137 1.00 22.54 C ATOM 1800 CD1 LEU A 118 -2.964 -4.840 -16.730 1.00 65.01 C ATOM 1801 CD2 LEU A 118 -0.843 -5.098 -18.029 1.00 64.12 C ATOM 0 H LEU A 118 -0.362 -7.469 -13.837 1.00 42.20 H new ATOM 0 HA LEU A 118 -2.658 -7.862 -15.449 1.00 61.45 H new ATOM 0 HB2 LEU A 118 -1.373 -5.726 -15.054 1.00 33.33 H new ATOM 0 HB3 LEU A 118 -0.092 -6.362 -16.066 1.00 33.33 H new ATOM 0 HG LEU A 118 -2.302 -6.618 -17.701 1.00 22.54 H new ATOM 0 HD11 LEU A 118 -3.441 -4.436 -17.623 1.00 65.01 H new ATOM 0 HD12 LEU A 118 -3.704 -5.372 -16.132 1.00 65.01 H new ATOM 0 HD13 LEU A 118 -2.542 -4.024 -16.143 1.00 65.01 H new ATOM 0 HD21 LEU A 118 -1.349 -4.690 -18.904 1.00 64.12 H new ATOM 0 HD22 LEU A 118 -0.368 -4.289 -17.474 1.00 64.12 H new ATOM 0 HD23 LEU A 118 -0.084 -5.812 -18.349 1.00 64.12 H new ATOM 1813 N ASP A 119 0.213 -8.969 -16.675 1.00 73.32 N ATOM 1814 CA ASP A 119 0.793 -9.881 -17.654 1.00 53.04 C ATOM 1815 C ASP A 119 0.290 -9.562 -19.058 1.00 34.23 C ATOM 1816 O ASP A 119 0.204 -10.445 -19.912 1.00 0.50 O ATOM 1817 CB ASP A 119 0.455 -11.329 -17.294 1.00 0.14 C ATOM 1818 CG ASP A 119 1.627 -12.267 -17.513 1.00 73.11 C ATOM 1819 OD1 ASP A 119 2.234 -12.214 -18.603 1.00 61.45 O ATOM 1820 OD2 ASP A 119 1.936 -13.054 -16.595 1.00 30.31 O ATOM 0 H ASP A 119 0.896 -8.498 -16.081 1.00 73.32 H new ATOM 0 HA ASP A 119 1.875 -9.753 -17.638 1.00 53.04 H new ATOM 0 HB2 ASP A 119 0.144 -11.378 -16.251 1.00 0.14 H new ATOM 0 HB3 ASP A 119 -0.391 -11.662 -17.895 1.00 0.14 H new ATOM 1825 N GLY A 120 -0.044 -8.297 -19.290 1.00 4.25 N ATOM 1826 CA GLY A 120 -0.534 -7.885 -20.592 1.00 34.20 C ATOM 1827 C GLY A 120 0.546 -7.252 -21.446 1.00 4.32 C ATOM 1828 O GLY A 120 0.253 -6.509 -22.382 1.00 73.35 O ATOM 0 H GLY A 120 0.016 -7.549 -18.599 1.00 4.25 H new ATOM 0 HA2 GLY A 120 -0.944 -8.751 -21.113 1.00 34.20 H new ATOM 0 HA3 GLY A 120 -1.351 -7.176 -20.461 1.00 34.20 H new ATOM 1832 N SER A 121 1.801 -7.544 -21.122 1.00 24.24 N ATOM 1833 CA SER A 121 2.931 -6.995 -21.863 1.00 33.11 C ATOM 1834 C SER A 121 2.835 -5.475 -21.950 1.00 32.25 C ATOM 1835 O SER A 121 2.718 -4.910 -23.036 1.00 72.42 O ATOM 1836 CB SER A 121 2.986 -7.596 -23.269 1.00 42.24 C ATOM 1837 OG SER A 121 3.974 -6.955 -24.058 1.00 3.50 O ATOM 0 H SER A 121 2.062 -8.158 -20.351 1.00 24.24 H new ATOM 0 HA SER A 121 3.845 -7.254 -21.329 1.00 33.11 H new ATOM 0 HB2 SER A 121 3.203 -8.662 -23.204 1.00 42.24 H new ATOM 0 HB3 SER A 121 2.012 -7.497 -23.749 1.00 42.24 H new ATOM 0 HG SER A 121 3.792 -5.993 -24.092 1.00 3.50 H new ATOM 1843 N SER A 122 2.887 -4.819 -20.795 1.00 11.40 N ATOM 1844 CA SER A 122 2.803 -3.364 -20.737 1.00 71.04 C ATOM 1845 C SER A 122 3.309 -2.843 -19.397 1.00 72.02 C ATOM 1846 O SER A 122 3.746 -3.613 -18.541 1.00 53.23 O ATOM 1847 CB SER A 122 1.360 -2.906 -20.964 1.00 30.30 C ATOM 1848 OG SER A 122 1.196 -2.365 -22.263 1.00 54.13 O ATOM 0 H SER A 122 2.987 -5.272 -19.887 1.00 11.40 H new ATOM 0 HA SER A 122 3.435 -2.957 -21.526 1.00 71.04 H new ATOM 0 HB2 SER A 122 0.682 -3.749 -20.829 1.00 30.30 H new ATOM 0 HB3 SER A 122 1.091 -2.158 -20.218 1.00 30.30 H new ATOM 0 HG SER A 122 1.594 -2.971 -22.922 1.00 54.13 H new ATOM 1854 N LYS A 123 3.249 -1.527 -19.220 1.00 14.54 N ATOM 1855 CA LYS A 123 3.698 -0.899 -17.983 1.00 4.30 C ATOM 1856 C LYS A 123 2.530 -0.258 -17.241 1.00 52.42 C ATOM 1857 O LYS A 123 1.370 -0.452 -17.603 1.00 31.21 O ATOM 1858 CB LYS A 123 4.767 0.155 -18.282 1.00 11.12 C ATOM 1859 CG LYS A 123 4.212 1.424 -18.903 1.00 41.11 C ATOM 1860 CD LYS A 123 5.308 2.249 -19.558 1.00 52.30 C ATOM 1861 CE LYS A 123 6.344 2.705 -18.542 1.00 42.50 C ATOM 1862 NZ LYS A 123 6.838 4.080 -18.831 1.00 5.12 N ATOM 0 H LYS A 123 2.893 -0.874 -19.919 1.00 14.54 H new ATOM 0 HA LYS A 123 4.127 -1.673 -17.347 1.00 4.30 H new ATOM 0 HB2 LYS A 123 5.284 0.409 -17.356 1.00 11.12 H new ATOM 0 HB3 LYS A 123 5.510 -0.274 -18.954 1.00 11.12 H new ATOM 0 HG2 LYS A 123 3.456 1.167 -19.645 1.00 41.11 H new ATOM 0 HG3 LYS A 123 3.716 2.019 -18.136 1.00 41.11 H new ATOM 0 HD2 LYS A 123 5.794 1.659 -20.335 1.00 52.30 H new ATOM 0 HD3 LYS A 123 4.868 3.119 -20.046 1.00 52.30 H new ATOM 0 HE2 LYS A 123 5.909 2.678 -17.543 1.00 42.50 H new ATOM 0 HE3 LYS A 123 7.184 2.010 -18.543 1.00 42.50 H new ATOM 0 HZ1 LYS A 123 7.542 4.353 -18.116 1.00 5.12 H new ATOM 0 HZ2 LYS A 123 7.276 4.100 -19.774 1.00 5.12 H new ATOM 0 HZ3 LYS A 123 6.041 4.748 -18.805 1.00 5.12 H new ATOM 1876 N LYS A 124 2.845 0.510 -16.203 1.00 13.20 N ATOM 1877 CA LYS A 124 1.821 1.183 -15.412 1.00 34.40 C ATOM 1878 C LYS A 124 0.888 1.993 -16.305 1.00 41.45 C ATOM 1879 O LYS A 124 -0.334 1.910 -16.181 1.00 21.12 O ATOM 1880 CB LYS A 124 2.472 2.098 -14.372 1.00 51.42 C ATOM 1881 CG LYS A 124 1.473 2.791 -13.461 1.00 53.11 C ATOM 1882 CD LYS A 124 2.082 4.010 -12.788 1.00 65.51 C ATOM 1883 CE LYS A 124 2.891 3.623 -11.560 1.00 51.33 C ATOM 1884 NZ LYS A 124 3.604 4.793 -10.975 1.00 72.21 N ATOM 0 H LYS A 124 3.801 0.682 -15.890 1.00 13.20 H new ATOM 0 HA LYS A 124 1.233 0.421 -14.900 1.00 34.40 H new ATOM 0 HB2 LYS A 124 3.160 1.511 -13.763 1.00 51.42 H new ATOM 0 HB3 LYS A 124 3.067 2.853 -14.886 1.00 51.42 H new ATOM 0 HG2 LYS A 124 0.600 3.092 -14.040 1.00 53.11 H new ATOM 0 HG3 LYS A 124 1.126 2.091 -12.701 1.00 53.11 H new ATOM 0 HD2 LYS A 124 2.723 4.536 -13.496 1.00 65.51 H new ATOM 0 HD3 LYS A 124 1.290 4.702 -12.500 1.00 65.51 H new ATOM 0 HE2 LYS A 124 2.229 3.189 -10.811 1.00 51.33 H new ATOM 0 HE3 LYS A 124 3.615 2.854 -11.829 1.00 51.33 H new ATOM 0 HZ1 LYS A 124 4.144 4.488 -10.140 1.00 72.21 H new ATOM 0 HZ2 LYS A 124 4.255 5.192 -11.682 1.00 72.21 H new ATOM 0 HZ3 LYS A 124 2.912 5.517 -10.694 1.00 72.21 H new TER 1898 LYS A 124