USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 565 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 4 SER OG : rot 34:sc= 0.0778 USER MOD Single : A 8 GLN : amide:sc= -1.49! K(o=-1.5!,f=-0.19) USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.06 USER MOD Single : A 27 GLN : amide:sc= -1.08 K(o=-1.1,f=0) USER MOD Single : A 29 LYS NZ :NH3+ -146:sc= 1.21 (180deg=0.935) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 TYR OH : rot 180:sc= -1.33! USER MOD Single : A 42 TYR OH : rot 130:sc= 0.39 USER MOD Single : A 54 LYS NZ :NH3+ -161:sc= 1.31 (180deg=0.998) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -2.6! C(o=-2.6!,f=-4.2!) USER MOD Single : A 63 SER OG : rot -19:sc= 0.787 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0278 USER MOD Single : A 67 MET CE :methyl -159:sc= -0.222 (180deg=-0.832) USER MOD Single : A 69 THR OG1 : rot -120:sc= 0.725 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 38 N SER A 4 8.269 -6.219 1.007 1.00 71.02 N ATOM 39 CA SER A 4 7.628 -7.054 2.005 1.00 42.34 C ATOM 40 C SER A 4 8.568 -7.186 3.195 1.00 25.41 C ATOM 41 O SER A 4 9.601 -7.850 3.106 1.00 72.11 O ATOM 42 CB SER A 4 7.296 -8.427 1.421 1.00 74.12 C ATOM 43 OG SER A 4 6.450 -8.307 0.287 1.00 34.13 O ATOM 0 HA SER A 4 6.691 -6.599 2.326 1.00 42.34 H new ATOM 0 HB2 SER A 4 8.216 -8.939 1.140 1.00 74.12 H new ATOM 0 HB3 SER A 4 6.809 -9.040 2.179 1.00 74.12 H new ATOM 0 HG SER A 4 6.673 -7.488 -0.203 1.00 34.13 H new ATOM 49 N GLU A 5 8.227 -6.527 4.291 1.00 73.11 N ATOM 50 CA GLU A 5 9.128 -6.441 5.429 1.00 2.22 C ATOM 51 C GLU A 5 9.112 -7.726 6.241 1.00 63.11 C ATOM 52 O GLU A 5 8.201 -7.969 7.039 1.00 33.12 O ATOM 53 CB GLU A 5 8.768 -5.244 6.306 1.00 74.03 C ATOM 54 CG GLU A 5 8.731 -3.934 5.540 1.00 3.23 C ATOM 55 CD GLU A 5 8.469 -2.741 6.429 1.00 61.35 C ATOM 56 OE1 GLU A 5 9.413 -1.968 6.686 1.00 21.51 O ATOM 57 OE2 GLU A 5 7.312 -2.560 6.866 1.00 22.25 O1- ATOM 0 H GLU A 5 7.337 -6.046 4.417 1.00 73.11 H new ATOM 0 HA GLU A 5 10.140 -6.300 5.048 1.00 2.22 H new ATOM 0 HB2 GLU A 5 7.795 -5.417 6.765 1.00 74.03 H new ATOM 0 HB3 GLU A 5 9.493 -5.164 7.116 1.00 74.03 H new ATOM 0 HG2 GLU A 5 9.680 -3.794 5.023 1.00 3.23 H new ATOM 0 HG3 GLU A 5 7.956 -3.988 4.775 1.00 3.23 H new ATOM 64 N GLY A 6 10.118 -8.550 6.011 1.00 13.15 N ATOM 65 CA GLY A 6 10.239 -9.800 6.716 1.00 42.42 C ATOM 66 C GLY A 6 11.654 -10.326 6.680 1.00 52.24 C ATOM 67 O GLY A 6 12.378 -10.113 5.707 1.00 3.43 O ATOM 0 H GLY A 6 10.863 -8.369 5.338 1.00 13.15 H new ATOM 0 HA2 GLY A 6 9.927 -9.666 7.752 1.00 42.42 H new ATOM 0 HA3 GLY A 6 9.566 -10.534 6.273 1.00 42.42 H new ATOM 71 N CYS A 7 12.054 -10.998 7.741 1.00 10.20 N ATOM 72 CA CYS A 7 13.387 -11.565 7.830 1.00 70.11 C ATOM 73 C CYS A 7 13.375 -13.005 7.340 1.00 4.44 C ATOM 74 O CYS A 7 12.409 -13.731 7.570 1.00 72.14 O ATOM 75 CB CYS A 7 13.888 -11.504 9.273 1.00 4.33 C ATOM 76 SG CYS A 7 13.866 -9.835 10.001 1.00 21.12 S ATOM 0 H CYS A 7 11.470 -11.166 8.560 1.00 10.20 H new ATOM 0 HA CYS A 7 14.060 -10.984 7.199 1.00 70.11 H new ATOM 0 HB2 CYS A 7 13.275 -12.164 9.887 1.00 4.33 H new ATOM 0 HB3 CYS A 7 14.907 -11.890 9.309 1.00 4.33 H new ATOM 81 N GLN A 8 14.435 -13.413 6.658 1.00 15.12 N ATOM 82 CA GLN A 8 14.532 -14.774 6.142 1.00 64.14 C ATOM 83 C GLN A 8 14.862 -15.763 7.260 1.00 64.22 C ATOM 84 O GLN A 8 14.995 -15.380 8.426 1.00 1.10 O ATOM 85 CB GLN A 8 15.586 -14.871 5.043 1.00 50.41 C ATOM 86 CG GLN A 8 17.000 -14.583 5.522 1.00 43.35 C ATOM 87 CD GLN A 8 18.070 -15.146 4.601 1.00 51.10 C ATOM 88 OE1 GLN A 8 19.137 -14.551 4.444 1.00 41.23 O ATOM 89 NE2 GLN A 8 17.814 -16.307 4.013 1.00 23.50 N ATOM 0 H GLN A 8 15.240 -12.823 6.448 1.00 15.12 H new ATOM 0 HA GLN A 8 13.560 -15.031 5.720 1.00 64.14 H new ATOM 0 HB2 GLN A 8 15.555 -15.871 4.610 1.00 50.41 H new ATOM 0 HB3 GLN A 8 15.333 -14.171 4.247 1.00 50.41 H new ATOM 0 HG2 GLN A 8 17.135 -13.505 5.609 1.00 43.35 H new ATOM 0 HG3 GLN A 8 17.131 -15.002 6.520 1.00 43.35 H new ATOM 0 HE21 GLN A 8 16.918 -16.770 4.167 1.00 23.50 H new ATOM 0 HE22 GLN A 8 18.513 -16.737 3.407 1.00 23.50 H new ATOM 98 N ILE A 9 15.022 -17.028 6.891 1.00 54.54 N ATOM 99 CA ILE A 9 15.251 -18.092 7.859 1.00 64.42 C ATOM 100 C ILE A 9 16.741 -18.244 8.171 1.00 73.43 C ATOM 101 O ILE A 9 17.586 -18.182 7.281 1.00 71.43 O ATOM 102 CB ILE A 9 14.688 -19.435 7.338 1.00 54.42 C ATOM 103 CG1 ILE A 9 13.166 -19.355 7.193 1.00 1.03 C ATOM 104 CG2 ILE A 9 15.077 -20.582 8.257 1.00 60.45 C ATOM 105 CD1 ILE A 9 12.532 -20.637 6.701 1.00 23.41 C ATOM 0 H ILE A 9 14.997 -17.343 5.921 1.00 54.54 H new ATOM 0 HA ILE A 9 14.730 -17.819 8.777 1.00 64.42 H new ATOM 0 HB ILE A 9 15.122 -19.628 6.357 1.00 54.42 H new ATOM 0 HG12 ILE A 9 12.732 -19.093 8.158 1.00 1.03 H new ATOM 0 HG13 ILE A 9 12.918 -18.549 6.502 1.00 1.03 H new ATOM 0 HG21 ILE A 9 14.669 -21.515 7.868 1.00 60.45 H new ATOM 0 HG22 ILE A 9 16.163 -20.655 8.308 1.00 60.45 H new ATOM 0 HG23 ILE A 9 14.678 -20.400 9.255 1.00 60.45 H new ATOM 0 HD11 ILE A 9 11.453 -20.503 6.624 1.00 23.41 H new ATOM 0 HD12 ILE A 9 12.937 -20.891 5.722 1.00 23.41 H new ATOM 0 HD13 ILE A 9 12.748 -21.442 7.403 1.00 23.41 H new ATOM 117 N ILE A 10 17.041 -18.428 9.451 1.00 1.44 N ATOM 118 CA ILE A 10 18.408 -18.583 9.924 1.00 53.14 C ATOM 119 C ILE A 10 18.856 -20.038 9.778 1.00 15.30 C ATOM 120 O ILE A 10 18.029 -20.948 9.733 1.00 44.43 O ATOM 121 CB ILE A 10 18.516 -18.148 11.405 1.00 44.30 C ATOM 122 CG1 ILE A 10 17.834 -16.792 11.599 1.00 13.24 C ATOM 123 CG2 ILE A 10 19.974 -18.075 11.847 1.00 25.05 C ATOM 124 CD1 ILE A 10 17.696 -16.380 13.046 1.00 42.33 C ATOM 0 H ILE A 10 16.340 -18.474 10.191 1.00 1.44 H new ATOM 0 HA ILE A 10 19.057 -17.949 9.320 1.00 53.14 H new ATOM 0 HB ILE A 10 18.013 -18.893 12.022 1.00 44.30 H new ATOM 0 HG12 ILE A 10 18.403 -16.030 11.067 1.00 13.24 H new ATOM 0 HG13 ILE A 10 16.844 -16.826 11.145 1.00 13.24 H new ATOM 0 HG21 ILE A 10 20.023 -17.767 12.891 1.00 25.05 H new ATOM 0 HG22 ILE A 10 20.437 -19.055 11.736 1.00 25.05 H new ATOM 0 HG23 ILE A 10 20.505 -17.350 11.230 1.00 25.05 H new ATOM 0 HD11 ILE A 10 17.204 -15.409 13.103 1.00 42.33 H new ATOM 0 HD12 ILE A 10 17.100 -17.121 13.580 1.00 42.33 H new ATOM 0 HD13 ILE A 10 18.684 -16.313 13.501 1.00 42.33 H new ATOM 136 N HIS A 11 20.161 -20.253 9.703 1.00 11.24 N ATOM 137 CA HIS A 11 20.707 -21.590 9.510 1.00 24.14 C ATOM 138 C HIS A 11 20.791 -22.335 10.840 1.00 73.03 C ATOM 139 O HIS A 11 21.116 -21.739 11.871 1.00 11.43 O ATOM 140 CB HIS A 11 22.096 -21.514 8.868 1.00 24.23 C ATOM 141 CG HIS A 11 22.106 -20.859 7.519 1.00 51.10 C ATOM 142 ND1 HIS A 11 22.060 -21.564 6.338 1.00 34.40 N ATOM 143 CD2 HIS A 11 22.157 -19.552 7.172 1.00 73.31 C ATOM 144 CE1 HIS A 11 22.083 -20.721 5.323 1.00 41.44 C ATOM 145 NE2 HIS A 11 22.142 -19.494 5.802 1.00 32.35 N ATOM 0 H HIS A 11 20.864 -19.517 9.773 1.00 11.24 H new ATOM 0 HA HIS A 11 20.039 -22.136 8.844 1.00 24.14 H new ATOM 0 HB2 HIS A 11 22.763 -20.965 9.533 1.00 24.23 H new ATOM 0 HB3 HIS A 11 22.498 -22.523 8.774 1.00 24.23 H new ATOM 0 HD2 HIS A 11 22.201 -18.711 7.848 1.00 73.31 H new ATOM 0 HE1 HIS A 11 22.058 -20.990 4.277 1.00 41.44 H new ATOM 0 HE2 HIS A 11 22.172 -18.641 5.244 1.00 32.35 H new ATOM 154 N PRO A 12 20.493 -23.645 10.833 1.00 62.10 N ATOM 155 CA PRO A 12 20.538 -24.475 12.041 1.00 31.33 C ATOM 156 C PRO A 12 21.964 -24.700 12.542 1.00 62.52 C ATOM 157 O PRO A 12 22.860 -25.052 11.768 1.00 11.24 O ATOM 158 CB PRO A 12 19.908 -25.796 11.593 1.00 52.40 C ATOM 159 CG PRO A 12 20.117 -25.841 10.118 1.00 51.45 C ATOM 160 CD PRO A 12 20.079 -24.415 9.647 1.00 4.22 C ATOM 0 HA PRO A 12 20.018 -24.005 12.876 1.00 31.33 H new ATOM 0 HB2 PRO A 12 20.381 -26.646 12.085 1.00 52.40 H new ATOM 0 HB3 PRO A 12 18.848 -25.833 11.843 1.00 52.40 H new ATOM 0 HG2 PRO A 12 21.072 -26.306 9.874 1.00 51.45 H new ATOM 0 HG3 PRO A 12 19.341 -26.432 9.632 1.00 51.45 H new ATOM 0 HD2 PRO A 12 20.755 -24.252 8.808 1.00 4.22 H new ATOM 0 HD3 PRO A 12 19.081 -24.130 9.313 1.00 4.22 H new ATOM 168 N PRO A 13 22.195 -24.489 13.846 1.00 72.42 N ATOM 169 CA PRO A 13 23.509 -24.658 14.463 1.00 11.03 C ATOM 170 C PRO A 13 23.754 -26.097 14.930 1.00 21.12 C ATOM 171 O PRO A 13 23.391 -27.051 14.242 1.00 10.42 O ATOM 172 CB PRO A 13 23.419 -23.706 15.655 1.00 63.12 C ATOM 173 CG PRO A 13 21.987 -23.760 16.072 1.00 12.24 C ATOM 174 CD PRO A 13 21.185 -24.055 14.829 1.00 11.22 C ATOM 0 HA PRO A 13 24.332 -24.451 13.779 1.00 11.03 H new ATOM 0 HB2 PRO A 13 24.079 -24.019 16.463 1.00 63.12 H new ATOM 0 HB3 PRO A 13 23.713 -22.694 15.377 1.00 63.12 H new ATOM 0 HG2 PRO A 13 21.832 -24.533 16.825 1.00 12.24 H new ATOM 0 HG3 PRO A 13 21.677 -22.814 16.517 1.00 12.24 H new ATOM 0 HD2 PRO A 13 20.443 -24.833 15.008 1.00 11.22 H new ATOM 0 HD3 PRO A 13 20.645 -23.173 14.484 1.00 11.22 H new ATOM 182 N TRP A 14 24.380 -26.235 16.098 1.00 13.53 N ATOM 183 CA TRP A 14 24.653 -27.542 16.696 1.00 55.11 C ATOM 184 C TRP A 14 23.331 -28.206 17.112 1.00 13.40 C ATOM 185 O TRP A 14 22.263 -27.620 16.927 1.00 31.14 O ATOM 186 CB TRP A 14 25.575 -27.358 17.909 1.00 53.25 C ATOM 187 CG TRP A 14 26.475 -28.527 18.210 1.00 30.52 C ATOM 188 CD1 TRP A 14 26.340 -29.818 17.783 1.00 34.14 C ATOM 189 CD2 TRP A 14 27.659 -28.499 19.016 1.00 32.13 C ATOM 190 NE1 TRP A 14 27.358 -30.591 18.279 1.00 11.25 N ATOM 191 CE2 TRP A 14 28.184 -29.805 19.035 1.00 72.24 C ATOM 192 CE3 TRP A 14 28.328 -27.496 19.723 1.00 52.43 C ATOM 193 CZ2 TRP A 14 29.342 -30.133 19.734 1.00 61.11 C ATOM 194 CZ3 TRP A 14 29.478 -27.823 20.415 1.00 24.33 C ATOM 195 CH2 TRP A 14 29.976 -29.132 20.416 1.00 71.42 C ATOM 0 H TRP A 14 24.711 -25.447 16.655 1.00 13.53 H new ATOM 0 HA TRP A 14 25.149 -28.188 15.971 1.00 55.11 H new ATOM 0 HB2 TRP A 14 26.194 -26.476 17.745 1.00 53.25 H new ATOM 0 HB3 TRP A 14 24.960 -27.157 18.786 1.00 53.25 H new ATOM 0 HD1 TRP A 14 25.545 -30.178 17.146 1.00 34.14 H new ATOM 0 HE1 TRP A 14 27.480 -31.590 18.112 1.00 11.25 H new ATOM 0 HE3 TRP A 14 27.953 -26.483 19.728 1.00 52.43 H new ATOM 0 HZ2 TRP A 14 29.726 -31.142 19.738 1.00 61.11 H new ATOM 0 HZ3 TRP A 14 30.002 -27.056 20.965 1.00 24.33 H new ATOM 0 HH2 TRP A 14 30.878 -29.355 20.966 1.00 71.42 H new ATOM 206 N GLU A 15 23.424 -29.406 17.686 1.00 44.34 N ATOM 207 CA GLU A 15 22.263 -30.213 18.073 1.00 22.34 C ATOM 208 C GLU A 15 21.168 -29.392 18.748 1.00 24.33 C ATOM 209 O GLU A 15 21.271 -29.018 19.917 1.00 3.10 O ATOM 210 CB GLU A 15 22.691 -31.366 18.979 1.00 35.12 C ATOM 211 CG GLU A 15 23.469 -32.446 18.246 1.00 53.31 C ATOM 212 CD GLU A 15 22.687 -33.021 17.084 1.00 41.30 C ATOM 213 OE1 GLU A 15 21.811 -33.877 17.318 1.00 63.35 O ATOM 214 OE2 GLU A 15 22.936 -32.615 15.929 1.00 74.13 O1- ATOM 0 H GLU A 15 24.317 -29.851 17.898 1.00 44.34 H new ATOM 0 HA GLU A 15 21.839 -30.612 17.151 1.00 22.34 H new ATOM 0 HB2 GLU A 15 23.303 -30.974 19.791 1.00 35.12 H new ATOM 0 HB3 GLU A 15 21.806 -31.810 19.434 1.00 35.12 H new ATOM 0 HG2 GLU A 15 24.408 -32.031 17.880 1.00 53.31 H new ATOM 0 HG3 GLU A 15 23.723 -33.245 18.942 1.00 53.31 H new ATOM 221 N GLY A 16 20.137 -29.102 17.973 1.00 71.54 N ATOM 222 CA GLY A 16 19.039 -28.285 18.431 1.00 11.25 C ATOM 223 C GLY A 16 18.194 -27.843 17.261 1.00 0.41 C ATOM 224 O GLY A 16 18.181 -28.513 16.230 1.00 33.22 O ATOM 0 H GLY A 16 20.042 -29.428 17.011 1.00 71.54 H new ATOM 0 HA2 GLY A 16 18.429 -28.847 19.138 1.00 11.25 H new ATOM 0 HA3 GLY A 16 19.422 -27.414 18.962 1.00 11.25 H new ATOM 228 N GLY A 17 17.497 -26.734 17.402 1.00 23.54 N ATOM 229 CA GLY A 17 16.723 -26.215 16.296 1.00 23.21 C ATOM 230 C GLY A 17 16.138 -24.858 16.601 1.00 4.21 C ATOM 231 O GLY A 17 16.461 -24.253 17.624 1.00 73.45 O ATOM 0 H GLY A 17 17.451 -26.182 18.259 1.00 23.54 H new ATOM 0 HA2 GLY A 17 17.356 -26.146 15.412 1.00 23.21 H new ATOM 0 HA3 GLY A 17 15.919 -26.911 16.059 1.00 23.21 H new ATOM 235 N ILE A 18 15.273 -24.379 15.726 1.00 13.11 N ATOM 236 CA ILE A 18 14.645 -23.090 15.925 1.00 4.12 C ATOM 237 C ILE A 18 13.163 -23.238 16.210 1.00 21.53 C ATOM 238 O ILE A 18 12.431 -23.923 15.495 1.00 64.33 O ATOM 239 CB ILE A 18 14.883 -22.149 14.724 1.00 60.43 C ATOM 240 CG1 ILE A 18 16.325 -21.642 14.769 1.00 33.34 C ATOM 241 CG2 ILE A 18 13.898 -20.986 14.729 1.00 50.32 C ATOM 242 CD1 ILE A 18 16.674 -20.657 13.669 1.00 70.34 C ATOM 0 H ILE A 18 14.991 -24.863 14.874 1.00 13.11 H new ATOM 0 HA ILE A 18 15.113 -22.635 16.798 1.00 4.12 H new ATOM 0 HB ILE A 18 14.720 -22.703 13.799 1.00 60.43 H new ATOM 0 HG12 ILE A 18 16.501 -21.168 15.735 1.00 33.34 H new ATOM 0 HG13 ILE A 18 17.000 -22.495 14.705 1.00 33.34 H new ATOM 0 HG21 ILE A 18 14.091 -20.342 13.871 1.00 50.32 H new ATOM 0 HG22 ILE A 18 12.880 -21.371 14.671 1.00 50.32 H new ATOM 0 HG23 ILE A 18 14.017 -20.412 15.648 1.00 50.32 H new ATOM 0 HD11 ILE A 18 17.714 -20.348 13.774 1.00 70.34 H new ATOM 0 HD12 ILE A 18 16.533 -21.131 12.698 1.00 70.34 H new ATOM 0 HD13 ILE A 18 16.026 -19.783 13.744 1.00 70.34 H new ATOM 254 N ARG A 19 12.745 -22.598 17.281 1.00 44.43 N ATOM 255 CA ARG A 19 11.365 -22.617 17.711 1.00 12.34 C ATOM 256 C ARG A 19 10.672 -21.372 17.197 1.00 54.31 C ATOM 257 O ARG A 19 11.159 -20.265 17.410 1.00 14.40 O ATOM 258 CB ARG A 19 11.331 -22.626 19.229 1.00 21.13 C ATOM 259 CG ARG A 19 10.037 -23.149 19.834 1.00 74.22 C ATOM 260 CD ARG A 19 9.945 -24.666 19.738 1.00 2.13 C ATOM 261 NE ARG A 19 8.817 -25.195 20.503 1.00 34.34 N ATOM 262 CZ ARG A 19 8.843 -25.421 21.820 1.00 15.24 C ATOM 263 NH1 ARG A 19 9.923 -25.128 22.530 1.00 45.21 N1+ ATOM 264 NH2 ARG A 19 7.782 -25.941 22.420 1.00 45.00 N ATOM 0 H ARG A 19 13.358 -22.046 17.881 1.00 44.43 H new ATOM 0 HA ARG A 19 10.859 -23.501 17.324 1.00 12.34 H new ATOM 0 HB2 ARG A 19 12.158 -23.235 19.594 1.00 21.13 H new ATOM 0 HB3 ARG A 19 11.500 -21.611 19.588 1.00 21.13 H new ATOM 0 HG2 ARG A 19 9.975 -22.846 20.879 1.00 74.22 H new ATOM 0 HG3 ARG A 19 9.187 -22.699 19.321 1.00 74.22 H new ATOM 0 HD2 ARG A 19 9.843 -24.958 18.693 1.00 2.13 H new ATOM 0 HD3 ARG A 19 10.871 -25.109 20.104 1.00 2.13 H new ATOM 0 HE ARG A 19 7.955 -25.405 19.999 1.00 34.34 H new ATOM 0 HH11 ARG A 19 10.741 -24.727 22.072 1.00 45.21 H new ATOM 0 HH12 ARG A 19 9.936 -25.303 23.535 1.00 45.21 H new ATOM 0 HH21 ARG A 19 6.949 -26.168 21.877 1.00 45.00 H new ATOM 0 HH22 ARG A 19 7.798 -26.115 23.425 1.00 45.00 H new ATOM 278 N TYR A 20 9.556 -21.536 16.520 1.00 74.35 N ATOM 279 CA TYR A 20 8.825 -20.387 16.024 1.00 40.55 C ATOM 280 C TYR A 20 7.797 -19.938 17.055 1.00 34.25 C ATOM 281 O TYR A 20 7.765 -20.463 18.172 1.00 72.21 O ATOM 282 CB TYR A 20 8.180 -20.713 14.674 1.00 12.44 C ATOM 283 CG TYR A 20 9.191 -20.812 13.552 1.00 42.23 C ATOM 284 CD1 TYR A 20 9.868 -21.998 13.293 1.00 24.23 C ATOM 285 CD2 TYR A 20 9.484 -19.707 12.763 1.00 1.23 C ATOM 286 CE1 TYR A 20 10.805 -22.077 12.279 1.00 54.01 C ATOM 287 CE2 TYR A 20 10.417 -19.781 11.747 1.00 52.11 C ATOM 288 CZ TYR A 20 11.077 -20.965 11.511 1.00 34.52 C ATOM 289 OH TYR A 20 12.006 -21.041 10.499 1.00 22.43 O ATOM 0 H TYR A 20 9.138 -22.441 16.302 1.00 74.35 H new ATOM 0 HA TYR A 20 9.515 -19.558 15.864 1.00 40.55 H new ATOM 0 HB2 TYR A 20 7.638 -21.655 14.753 1.00 12.44 H new ATOM 0 HB3 TYR A 20 7.448 -19.943 14.431 1.00 12.44 H new ATOM 0 HD1 TYR A 20 9.659 -22.871 13.893 1.00 24.23 H new ATOM 0 HD2 TYR A 20 8.973 -18.773 12.947 1.00 1.23 H new ATOM 0 HE1 TYR A 20 11.322 -23.006 12.090 1.00 54.01 H new ATOM 0 HE2 TYR A 20 10.628 -18.913 11.140 1.00 52.11 H new ATOM 0 HH TYR A 20 12.078 -20.170 10.055 1.00 22.43 H new ATOM 299 N ARG A 21 6.944 -18.995 16.690 1.00 4.04 N ATOM 300 CA ARG A 21 6.034 -18.403 17.660 1.00 43.13 C ATOM 301 C ARG A 21 4.824 -19.303 17.885 1.00 4.10 C ATOM 302 O ARG A 21 4.621 -19.809 18.990 1.00 52.41 O ATOM 303 CB ARG A 21 5.609 -17.004 17.211 1.00 74.30 C ATOM 304 CG ARG A 21 4.980 -16.174 18.316 1.00 52.33 C ATOM 305 CD ARG A 21 4.901 -14.709 17.923 1.00 1.31 C ATOM 306 NE ARG A 21 4.413 -13.869 19.014 1.00 72.30 N ATOM 307 CZ ARG A 21 5.149 -12.937 19.627 1.00 63.53 C ATOM 308 NH1 ARG A 21 6.413 -12.745 19.275 1.00 42.32 N1+ ATOM 309 NH2 ARG A 21 4.611 -12.199 20.588 1.00 24.04 N ATOM 0 H ARG A 21 6.862 -18.626 15.743 1.00 4.04 H new ATOM 0 HA ARG A 21 6.557 -18.307 18.612 1.00 43.13 H new ATOM 0 HB2 ARG A 21 6.480 -16.476 16.823 1.00 74.30 H new ATOM 0 HB3 ARG A 21 4.899 -17.096 16.389 1.00 74.30 H new ATOM 0 HG2 ARG A 21 3.980 -16.550 18.533 1.00 52.33 H new ATOM 0 HG3 ARG A 21 5.565 -16.277 19.230 1.00 52.33 H new ATOM 0 HD2 ARG A 21 5.888 -14.364 17.615 1.00 1.31 H new ATOM 0 HD3 ARG A 21 4.242 -14.601 17.061 1.00 1.31 H new ATOM 0 HE ARG A 21 3.451 -14.002 19.327 1.00 72.30 H new ATOM 0 HH11 ARG A 21 6.827 -13.310 18.534 1.00 42.32 H new ATOM 0 HH12 ARG A 21 6.971 -12.032 19.746 1.00 42.32 H new ATOM 0 HH21 ARG A 21 3.638 -12.343 20.858 1.00 24.04 H new ATOM 0 HH22 ARG A 21 5.170 -11.487 21.058 1.00 24.04 H new ATOM 323 N GLY A 22 4.041 -19.519 16.838 1.00 11.55 N ATOM 324 CA GLY A 22 2.894 -20.399 16.941 1.00 50.05 C ATOM 325 C GLY A 22 2.627 -21.135 15.647 1.00 71.12 C ATOM 326 O GLY A 22 1.535 -21.050 15.087 1.00 54.54 O ATOM 0 H GLY A 22 4.179 -19.100 15.918 1.00 11.55 H new ATOM 0 HA2 GLY A 22 3.061 -21.121 17.741 1.00 50.05 H new ATOM 0 HA3 GLY A 22 2.014 -19.817 17.215 1.00 50.05 H new ATOM 330 N LEU A 23 3.623 -21.865 15.170 1.00 51.01 N ATOM 331 CA LEU A 23 3.509 -22.559 13.897 1.00 52.44 C ATOM 332 C LEU A 23 3.663 -24.063 14.073 1.00 5.12 C ATOM 333 O LEU A 23 4.488 -24.528 14.861 1.00 0.51 O ATOM 334 CB LEU A 23 4.555 -22.037 12.907 1.00 44.13 C ATOM 335 CG LEU A 23 4.336 -20.600 12.428 1.00 45.22 C ATOM 336 CD1 LEU A 23 5.508 -20.138 11.575 1.00 34.31 C ATOM 337 CD2 LEU A 23 3.039 -20.493 11.641 1.00 3.33 C ATOM 0 H LEU A 23 4.517 -21.992 15.644 1.00 51.01 H new ATOM 0 HA LEU A 23 2.513 -22.363 13.499 1.00 52.44 H new ATOM 0 HB2 LEU A 23 5.538 -22.102 13.373 1.00 44.13 H new ATOM 0 HB3 LEU A 23 4.570 -22.695 12.038 1.00 44.13 H new ATOM 0 HG LEU A 23 4.267 -19.954 13.303 1.00 45.22 H new ATOM 0 HD11 LEU A 23 5.335 -19.114 11.243 1.00 34.31 H new ATOM 0 HD12 LEU A 23 6.425 -20.179 12.163 1.00 34.31 H new ATOM 0 HD13 LEU A 23 5.605 -20.789 10.706 1.00 34.31 H new ATOM 0 HD21 LEU A 23 2.899 -19.465 11.308 1.00 3.33 H new ATOM 0 HD22 LEU A 23 3.084 -21.152 10.774 1.00 3.33 H new ATOM 0 HD23 LEU A 23 2.203 -20.786 12.276 1.00 3.33 H new ATOM 349 N THR A 24 2.845 -24.818 13.352 1.00 45.31 N ATOM 350 CA THR A 24 2.957 -26.267 13.330 1.00 75.32 C ATOM 351 C THR A 24 3.968 -26.684 12.263 1.00 64.12 C ATOM 352 O THR A 24 4.445 -25.839 11.497 1.00 23.12 O ATOM 353 CB THR A 24 1.588 -26.933 13.062 1.00 73.21 C ATOM 354 OG1 THR A 24 1.676 -28.354 13.248 1.00 0.00 O ATOM 355 CG2 THR A 24 1.092 -26.630 11.653 1.00 12.52 C ATOM 0 H THR A 24 2.093 -24.446 12.772 1.00 45.31 H new ATOM 0 HA THR A 24 3.301 -26.602 14.309 1.00 75.32 H new ATOM 0 HB THR A 24 0.875 -26.520 13.775 1.00 73.21 H new ATOM 0 HG1 THR A 24 0.801 -28.761 13.076 1.00 0.00 H new ATOM 0 HG21 THR A 24 0.127 -27.112 11.495 1.00 12.52 H new ATOM 0 HG22 THR A 24 0.984 -25.552 11.529 1.00 12.52 H new ATOM 0 HG23 THR A 24 1.810 -27.008 10.925 1.00 12.52 H new ATOM 363 N ARG A 25 4.296 -27.971 12.205 1.00 3.14 N ATOM 364 CA ARG A 25 5.297 -28.451 11.262 1.00 73.32 C ATOM 365 C ARG A 25 4.691 -28.606 9.868 1.00 50.00 C ATOM 366 O ARG A 25 3.553 -28.184 9.636 1.00 5.42 O ATOM 367 CB ARG A 25 5.919 -29.764 11.741 1.00 33.05 C ATOM 368 CG ARG A 25 4.975 -30.951 11.730 1.00 24.32 C ATOM 369 CD ARG A 25 5.667 -32.182 12.287 1.00 10.33 C ATOM 370 NE ARG A 25 4.900 -33.403 12.074 1.00 33.14 N ATOM 371 CZ ARG A 25 5.097 -34.528 12.757 1.00 2.41 C ATOM 372 NH1 ARG A 25 5.997 -34.561 13.734 1.00 13.30 N1+ ATOM 373 NH2 ARG A 25 4.393 -35.613 12.460 1.00 62.54 N ATOM 0 H ARG A 25 3.886 -28.695 12.796 1.00 3.14 H new ATOM 0 HA ARG A 25 6.094 -27.709 11.205 1.00 73.32 H new ATOM 0 HB2 ARG A 25 6.779 -29.994 11.112 1.00 33.05 H new ATOM 0 HB3 ARG A 25 6.294 -29.624 12.755 1.00 33.05 H new ATOM 0 HG2 ARG A 25 4.089 -30.725 12.323 1.00 24.32 H new ATOM 0 HG3 ARG A 25 4.637 -31.145 10.712 1.00 24.32 H new ATOM 0 HD2 ARG A 25 6.646 -32.286 11.819 1.00 10.33 H new ATOM 0 HD3 ARG A 25 5.837 -32.046 13.355 1.00 10.33 H new ATOM 0 HE ARG A 25 4.171 -33.395 11.361 1.00 33.14 H new ATOM 0 HH11 ARG A 25 6.536 -33.725 13.960 1.00 13.30 H new ATOM 0 HH12 ARG A 25 6.149 -35.423 14.258 1.00 13.30 H new ATOM 0 HH21 ARG A 25 3.703 -35.583 11.710 1.00 62.54 H new ATOM 0 HH22 ARG A 25 4.542 -36.476 12.982 1.00 62.54 H new ATOM 387 N ASP A 26 5.458 -29.206 8.948 1.00 11.55 N ATOM 388 CA ASP A 26 5.129 -29.218 7.512 1.00 13.41 C ATOM 389 C ASP A 26 5.371 -27.829 6.931 1.00 2.54 C ATOM 390 O ASP A 26 5.866 -27.677 5.816 1.00 54.04 O ATOM 391 CB ASP A 26 3.692 -29.688 7.235 1.00 51.21 C ATOM 392 CG ASP A 26 3.261 -29.434 5.803 1.00 14.41 C ATOM 393 OD1 ASP A 26 3.716 -30.163 4.896 1.00 15.50 O ATOM 394 OD2 ASP A 26 2.461 -28.502 5.579 1.00 15.44 O1- ATOM 0 H ASP A 26 6.323 -29.697 9.175 1.00 11.55 H new ATOM 0 HA ASP A 26 5.782 -29.942 7.024 1.00 13.41 H new ATOM 0 HB2 ASP A 26 3.614 -30.754 7.450 1.00 51.21 H new ATOM 0 HB3 ASP A 26 3.009 -29.175 7.912 1.00 51.21 H new ATOM 399 N GLN A 27 5.024 -26.820 7.713 1.00 2.23 N ATOM 400 CA GLN A 27 5.424 -25.455 7.451 1.00 4.51 C ATOM 401 C GLN A 27 6.829 -25.244 8.008 1.00 2.23 C ATOM 402 O GLN A 27 7.495 -26.211 8.365 1.00 21.25 O ATOM 403 CB GLN A 27 4.443 -24.484 8.114 1.00 41.02 C ATOM 404 CG GLN A 27 3.022 -24.606 7.593 1.00 12.33 C ATOM 405 CD GLN A 27 2.048 -23.692 8.310 1.00 33.35 C ATOM 406 OE1 GLN A 27 1.084 -23.211 7.719 1.00 70.15 O ATOM 407 NE2 GLN A 27 2.280 -23.455 9.592 1.00 42.30 N ATOM 0 H GLN A 27 4.453 -26.930 8.551 1.00 2.23 H new ATOM 0 HA GLN A 27 5.420 -25.267 6.377 1.00 4.51 H new ATOM 0 HB2 GLN A 27 4.443 -24.659 9.190 1.00 41.02 H new ATOM 0 HB3 GLN A 27 4.792 -23.464 7.957 1.00 41.02 H new ATOM 0 HG2 GLN A 27 3.010 -24.376 6.528 1.00 12.33 H new ATOM 0 HG3 GLN A 27 2.689 -25.638 7.700 1.00 12.33 H new ATOM 0 HE21 GLN A 27 3.091 -23.872 10.049 1.00 42.30 H new ATOM 0 HE22 GLN A 27 1.648 -22.855 10.122 1.00 42.30 H new ATOM 416 N VAL A 28 7.267 -23.982 8.054 1.00 40.51 N ATOM 417 CA VAL A 28 8.551 -23.568 8.664 1.00 21.23 C ATOM 418 C VAL A 28 9.770 -24.300 8.086 1.00 20.45 C ATOM 419 O VAL A 28 10.883 -24.167 8.597 1.00 35.23 O ATOM 420 CB VAL A 28 8.548 -23.696 10.217 1.00 75.00 C ATOM 421 CG1 VAL A 28 7.265 -23.131 10.799 1.00 3.34 C ATOM 422 CG2 VAL A 28 8.769 -25.130 10.692 1.00 12.44 C ATOM 0 H VAL A 28 6.737 -23.202 7.665 1.00 40.51 H new ATOM 0 HA VAL A 28 8.645 -22.514 8.403 1.00 21.23 H new ATOM 0 HB VAL A 28 9.392 -23.110 10.582 1.00 75.00 H new ATOM 0 HG11 VAL A 28 7.283 -23.230 11.884 1.00 3.34 H new ATOM 0 HG12 VAL A 28 7.177 -22.078 10.532 1.00 3.34 H new ATOM 0 HG13 VAL A 28 6.412 -23.679 10.399 1.00 3.34 H new ATOM 0 HG21 VAL A 28 8.757 -25.158 11.782 1.00 12.44 H new ATOM 0 HG22 VAL A 28 7.975 -25.768 10.304 1.00 12.44 H new ATOM 0 HG23 VAL A 28 9.733 -25.489 10.330 1.00 12.44 H new ATOM 432 N LYS A 29 9.573 -25.045 7.010 1.00 1.44 N ATOM 433 CA LYS A 29 10.680 -25.715 6.349 1.00 53.22 C ATOM 434 C LYS A 29 11.224 -24.835 5.234 1.00 71.12 C ATOM 435 O LYS A 29 12.410 -24.886 4.905 1.00 33.02 O ATOM 436 CB LYS A 29 10.243 -27.081 5.804 1.00 54.41 C ATOM 437 CG LYS A 29 9.224 -27.010 4.676 1.00 70.52 C ATOM 438 CD LYS A 29 8.740 -28.395 4.276 1.00 33.02 C ATOM 439 CE LYS A 29 7.820 -28.342 3.065 1.00 11.13 C ATOM 440 NZ LYS A 29 6.649 -27.453 3.283 1.00 21.55 N1+ ATOM 0 H LYS A 29 8.662 -25.200 6.578 1.00 1.44 H new ATOM 0 HA LYS A 29 11.472 -25.887 7.077 1.00 53.22 H new ATOM 0 HB2 LYS A 29 11.124 -27.616 5.449 1.00 54.41 H new ATOM 0 HB3 LYS A 29 9.822 -27.667 6.621 1.00 54.41 H new ATOM 0 HG2 LYS A 29 8.375 -26.403 4.989 1.00 70.52 H new ATOM 0 HG3 LYS A 29 9.669 -26.515 3.813 1.00 70.52 H new ATOM 0 HD2 LYS A 29 9.598 -29.030 4.054 1.00 33.02 H new ATOM 0 HD3 LYS A 29 8.213 -28.852 5.113 1.00 33.02 H new ATOM 0 HE2 LYS A 29 8.383 -27.992 2.199 1.00 11.13 H new ATOM 0 HE3 LYS A 29 7.471 -29.348 2.833 1.00 11.13 H new ATOM 0 HZ1 LYS A 29 5.822 -27.839 2.784 1.00 21.55 H new ATOM 0 HZ2 LYS A 29 6.442 -27.394 4.301 1.00 21.55 H new ATOM 0 HZ3 LYS A 29 6.862 -26.503 2.917 1.00 21.55 H new ATOM 454 N ALA A 30 10.347 -24.016 4.665 1.00 52.32 N ATOM 455 CA ALA A 30 10.730 -23.083 3.618 1.00 14.13 C ATOM 456 C ALA A 30 9.810 -21.868 3.621 1.00 61.32 C ATOM 457 O ALA A 30 8.742 -21.876 3.006 1.00 75.11 O ATOM 458 CB ALA A 30 10.713 -23.765 2.258 1.00 4.23 C ATOM 0 H ALA A 30 9.359 -23.981 4.915 1.00 52.32 H new ATOM 0 HA ALA A 30 11.747 -22.744 3.817 1.00 14.13 H new ATOM 0 HB1 ALA A 30 11.003 -23.049 1.488 1.00 4.23 H new ATOM 0 HB2 ALA A 30 11.415 -24.599 2.260 1.00 4.23 H new ATOM 0 HB3 ALA A 30 9.709 -24.136 2.049 1.00 4.23 H new ATOM 464 N ILE A 31 10.215 -20.843 4.354 1.00 25.12 N ATOM 465 CA ILE A 31 9.467 -19.597 4.417 1.00 40.14 C ATOM 466 C ILE A 31 10.308 -18.478 3.823 1.00 74.23 C ATOM 467 O ILE A 31 11.506 -18.390 4.093 1.00 4.24 O ATOM 468 CB ILE A 31 9.086 -19.232 5.871 1.00 34.44 C ATOM 469 CG1 ILE A 31 8.293 -20.369 6.519 1.00 11.21 C ATOM 470 CG2 ILE A 31 8.280 -17.940 5.902 1.00 41.23 C ATOM 471 CD1 ILE A 31 7.955 -20.122 7.973 1.00 3.32 C ATOM 0 H ILE A 31 11.065 -20.850 4.918 1.00 25.12 H new ATOM 0 HA ILE A 31 8.546 -19.726 3.849 1.00 40.14 H new ATOM 0 HB ILE A 31 10.004 -19.082 6.440 1.00 34.44 H new ATOM 0 HG12 ILE A 31 7.369 -20.520 5.961 1.00 11.21 H new ATOM 0 HG13 ILE A 31 8.868 -21.292 6.440 1.00 11.21 H new ATOM 0 HG21 ILE A 31 8.020 -17.698 6.933 1.00 41.23 H new ATOM 0 HG22 ILE A 31 8.874 -17.130 5.478 1.00 41.23 H new ATOM 0 HG23 ILE A 31 7.368 -18.066 5.318 1.00 41.23 H new ATOM 0 HD11 ILE A 31 7.393 -20.970 8.365 1.00 3.32 H new ATOM 0 HD12 ILE A 31 8.875 -20.001 8.545 1.00 3.32 H new ATOM 0 HD13 ILE A 31 7.353 -19.217 8.058 1.00 3.32 H new ATOM 483 N ASN A 32 9.697 -17.642 2.999 1.00 72.34 N ATOM 484 CA ASN A 32 10.411 -16.541 2.367 1.00 15.12 C ATOM 485 C ASN A 32 10.715 -15.441 3.374 1.00 73.04 C ATOM 486 O ASN A 32 11.876 -15.114 3.615 1.00 13.03 O ATOM 487 CB ASN A 32 9.607 -15.979 1.192 1.00 71.30 C ATOM 488 CG ASN A 32 9.544 -16.937 0.019 1.00 3.15 C ATOM 489 OD1 ASN A 32 8.668 -17.802 -0.050 1.00 51.12 O ATOM 490 ND2 ASN A 32 10.465 -16.784 -0.920 1.00 22.03 N ATOM 0 H ASN A 32 8.709 -17.703 2.751 1.00 72.34 H new ATOM 0 HA ASN A 32 11.356 -16.928 1.987 1.00 15.12 H new ATOM 0 HB2 ASN A 32 8.595 -15.751 1.525 1.00 71.30 H new ATOM 0 HB3 ASN A 32 10.054 -15.040 0.866 1.00 71.30 H new ATOM 0 HD21 ASN A 32 10.466 -17.394 -1.737 1.00 22.03 H new ATOM 0 HD22 ASN A 32 11.173 -16.056 -0.826 1.00 22.03 H new ATOM 497 N PHE A 33 9.672 -14.880 3.972 1.00 4.32 N ATOM 498 CA PHE A 33 9.841 -13.778 4.906 1.00 60.13 C ATOM 499 C PHE A 33 9.053 -14.017 6.187 1.00 71.25 C ATOM 500 O PHE A 33 7.870 -14.354 6.146 1.00 43.02 O ATOM 501 CB PHE A 33 9.375 -12.459 4.276 1.00 25.12 C ATOM 502 CG PHE A 33 10.042 -12.127 2.971 1.00 51.52 C ATOM 503 CD1 PHE A 33 9.376 -12.323 1.772 1.00 50.10 C ATOM 504 CD2 PHE A 33 11.330 -11.618 2.942 1.00 1.10 C ATOM 505 CE1 PHE A 33 9.981 -12.016 0.570 1.00 3.21 C ATOM 506 CE2 PHE A 33 11.942 -11.310 1.744 1.00 62.54 C ATOM 507 CZ PHE A 33 11.266 -11.507 0.554 1.00 65.33 C ATOM 0 H PHE A 33 8.705 -15.169 3.827 1.00 4.32 H new ATOM 0 HA PHE A 33 10.903 -13.716 5.146 1.00 60.13 H new ATOM 0 HB2 PHE A 33 8.298 -12.506 4.118 1.00 25.12 H new ATOM 0 HB3 PHE A 33 9.559 -11.648 4.981 1.00 25.12 H new ATOM 0 HD1 PHE A 33 8.372 -12.721 1.778 1.00 50.10 H new ATOM 0 HD2 PHE A 33 11.862 -11.460 3.869 1.00 1.10 H new ATOM 0 HE1 PHE A 33 9.451 -12.173 -0.358 1.00 3.21 H new ATOM 0 HE2 PHE A 33 12.947 -10.916 1.736 1.00 62.54 H new ATOM 0 HZ PHE A 33 11.741 -11.264 -0.385 1.00 65.33 H new ATOM 517 N LEU A 34 9.718 -13.864 7.319 1.00 45.21 N ATOM 518 CA LEU A 34 9.039 -13.830 8.604 1.00 44.33 C ATOM 519 C LEU A 34 8.699 -12.382 8.923 1.00 61.32 C ATOM 520 O LEU A 34 9.598 -11.568 9.127 1.00 5.11 O ATOM 521 CB LEU A 34 9.905 -14.432 9.724 1.00 2.10 C ATOM 522 CG LEU A 34 10.040 -15.965 9.731 1.00 42.44 C ATOM 523 CD1 LEU A 34 8.671 -16.626 9.732 1.00 10.42 C ATOM 524 CD2 LEU A 34 10.873 -16.452 8.554 1.00 73.11 C ATOM 0 H LEU A 34 10.731 -13.761 7.375 1.00 45.21 H new ATOM 0 HA LEU A 34 8.133 -14.433 8.544 1.00 44.33 H new ATOM 0 HB2 LEU A 34 10.904 -14.001 9.654 1.00 2.10 H new ATOM 0 HB3 LEU A 34 9.490 -14.121 10.683 1.00 2.10 H new ATOM 0 HG LEU A 34 10.559 -16.249 10.646 1.00 42.44 H new ATOM 0 HD11 LEU A 34 8.790 -17.709 9.737 1.00 10.42 H new ATOM 0 HD12 LEU A 34 8.119 -16.318 10.620 1.00 10.42 H new ATOM 0 HD13 LEU A 34 8.121 -16.326 8.840 1.00 10.42 H new ATOM 0 HD21 LEU A 34 10.950 -17.539 8.587 1.00 73.11 H new ATOM 0 HD22 LEU A 34 10.396 -16.150 7.621 1.00 73.11 H new ATOM 0 HD23 LEU A 34 11.871 -16.016 8.609 1.00 73.11 H new ATOM 536 N PRO A 35 7.400 -12.045 8.947 1.00 32.22 N ATOM 537 CA PRO A 35 6.924 -10.658 9.082 1.00 5.03 C ATOM 538 C PRO A 35 7.505 -9.928 10.293 1.00 10.23 C ATOM 539 O PRO A 35 7.928 -10.548 11.272 1.00 63.24 O ATOM 540 CB PRO A 35 5.401 -10.803 9.231 1.00 22.10 C ATOM 541 CG PRO A 35 5.171 -12.244 9.536 1.00 24.21 C ATOM 542 CD PRO A 35 6.280 -12.989 8.854 1.00 34.40 C ATOM 0 HA PRO A 35 7.233 -10.058 8.226 1.00 5.03 H new ATOM 0 HB2 PRO A 35 5.022 -10.166 10.030 1.00 22.10 H new ATOM 0 HB3 PRO A 35 4.886 -10.507 8.317 1.00 22.10 H new ATOM 0 HG2 PRO A 35 5.183 -12.423 10.611 1.00 24.21 H new ATOM 0 HG3 PRO A 35 4.198 -12.571 9.170 1.00 24.21 H new ATOM 0 HD2 PRO A 35 6.502 -13.933 9.353 1.00 34.40 H new ATOM 0 HD3 PRO A 35 6.034 -13.226 7.819 1.00 34.40 H new ATOM 550 N VAL A 36 7.523 -8.605 10.207 1.00 60.55 N ATOM 551 CA VAL A 36 8.022 -7.763 11.286 1.00 53.33 C ATOM 552 C VAL A 36 7.303 -8.072 12.605 1.00 1.10 C ATOM 553 O VAL A 36 6.130 -8.461 12.602 1.00 72.31 O ATOM 554 CB VAL A 36 7.867 -6.263 10.934 1.00 4.21 C ATOM 555 CG1 VAL A 36 6.401 -5.886 10.764 1.00 64.12 C ATOM 556 CG2 VAL A 36 8.528 -5.381 11.982 1.00 25.11 C ATOM 0 H VAL A 36 7.194 -8.087 9.392 1.00 60.55 H new ATOM 0 HA VAL A 36 9.082 -7.983 11.412 1.00 53.33 H new ATOM 0 HB VAL A 36 8.373 -6.096 9.983 1.00 4.21 H new ATOM 0 HG11 VAL A 36 6.324 -4.827 10.517 1.00 64.12 H new ATOM 0 HG12 VAL A 36 5.964 -6.479 9.960 1.00 64.12 H new ATOM 0 HG13 VAL A 36 5.865 -6.082 11.692 1.00 64.12 H new ATOM 0 HG21 VAL A 36 8.403 -4.334 11.708 1.00 25.11 H new ATOM 0 HG22 VAL A 36 8.065 -5.560 12.952 1.00 25.11 H new ATOM 0 HG23 VAL A 36 9.591 -5.617 12.038 1.00 25.11 H new ATOM 566 N ASP A 37 8.036 -7.927 13.712 1.00 75.53 N ATOM 567 CA ASP A 37 7.527 -8.185 15.064 1.00 0.24 C ATOM 568 C ASP A 37 7.508 -9.673 15.380 1.00 61.43 C ATOM 569 O ASP A 37 7.031 -10.081 16.441 1.00 74.15 O ATOM 570 CB ASP A 37 6.130 -7.590 15.295 1.00 1.03 C ATOM 571 CG ASP A 37 6.153 -6.095 15.521 1.00 73.54 C ATOM 572 OD1 ASP A 37 6.640 -5.664 16.587 1.00 11.24 O ATOM 573 OD2 ASP A 37 5.653 -5.346 14.651 1.00 24.30 O1- ATOM 0 H ASP A 37 9.010 -7.624 13.696 1.00 75.53 H new ATOM 0 HA ASP A 37 8.219 -7.686 15.742 1.00 0.24 H new ATOM 0 HB2 ASP A 37 5.500 -7.812 14.434 1.00 1.03 H new ATOM 0 HB3 ASP A 37 5.673 -8.075 16.157 1.00 1.03 H new ATOM 578 N TYR A 38 8.031 -10.488 14.472 1.00 64.13 N ATOM 579 CA TYR A 38 8.091 -11.925 14.697 1.00 64.04 C ATOM 580 C TYR A 38 9.310 -12.276 15.542 1.00 13.41 C ATOM 581 O TYR A 38 10.361 -11.642 15.428 1.00 72.14 O ATOM 582 CB TYR A 38 8.128 -12.690 13.371 1.00 31.23 C ATOM 583 CG TYR A 38 7.737 -14.141 13.510 1.00 53.15 C ATOM 584 CD1 TYR A 38 8.696 -15.138 13.608 1.00 63.21 C ATOM 585 CD2 TYR A 38 6.401 -14.507 13.559 1.00 42.20 C ATOM 586 CE1 TYR A 38 8.332 -16.461 13.757 1.00 51.34 C ATOM 587 CE2 TYR A 38 6.030 -15.826 13.702 1.00 74.11 C ATOM 588 CZ TYR A 38 6.997 -16.799 13.801 1.00 52.12 C ATOM 589 OH TYR A 38 6.628 -18.112 13.967 1.00 52.04 O ATOM 0 H TYR A 38 8.417 -10.180 13.579 1.00 64.13 H new ATOM 0 HA TYR A 38 7.190 -12.221 15.234 1.00 64.04 H new ATOM 0 HB2 TYR A 38 7.457 -12.206 12.661 1.00 31.23 H new ATOM 0 HB3 TYR A 38 9.133 -12.630 12.952 1.00 31.23 H new ATOM 0 HD1 TYR A 38 9.743 -14.875 13.567 1.00 63.21 H new ATOM 0 HD2 TYR A 38 5.639 -13.746 13.484 1.00 42.20 H new ATOM 0 HE1 TYR A 38 9.089 -17.227 13.839 1.00 51.34 H new ATOM 0 HE2 TYR A 38 4.985 -16.095 13.736 1.00 74.11 H new ATOM 0 HH TYR A 38 5.650 -18.178 13.978 1.00 52.04 H new ATOM 599 N GLU A 39 9.155 -13.281 16.394 1.00 24.42 N ATOM 600 CA GLU A 39 10.213 -13.691 17.304 1.00 12.31 C ATOM 601 C GLU A 39 10.343 -15.208 17.313 1.00 14.54 C ATOM 602 O GLU A 39 9.338 -15.919 17.306 1.00 3.41 O ATOM 603 CB GLU A 39 9.915 -13.189 18.719 1.00 45.13 C ATOM 604 CG GLU A 39 9.828 -11.676 18.827 1.00 72.52 C ATOM 605 CD GLU A 39 9.322 -11.219 20.178 1.00 31.14 C ATOM 606 OE1 GLU A 39 8.097 -11.019 20.321 1.00 5.53 O ATOM 607 OE2 GLU A 39 10.142 -11.067 21.105 1.00 51.15 O1- ATOM 0 H GLU A 39 8.299 -13.830 16.473 1.00 24.42 H new ATOM 0 HA GLU A 39 11.153 -13.257 16.962 1.00 12.31 H new ATOM 0 HB2 GLU A 39 8.974 -13.623 19.058 1.00 45.13 H new ATOM 0 HB3 GLU A 39 10.693 -13.548 19.393 1.00 45.13 H new ATOM 0 HG2 GLU A 39 10.813 -11.245 18.647 1.00 72.52 H new ATOM 0 HG3 GLU A 39 9.167 -11.297 18.048 1.00 72.52 H new ATOM 614 N ILE A 40 11.577 -15.696 17.313 1.00 4.54 N ATOM 615 CA ILE A 40 11.834 -17.129 17.365 1.00 42.33 C ATOM 616 C ILE A 40 12.769 -17.470 18.524 1.00 75.11 C ATOM 617 O ILE A 40 13.506 -16.610 19.016 1.00 0.45 O ATOM 618 CB ILE A 40 12.432 -17.663 16.043 1.00 22.13 C ATOM 619 CG1 ILE A 40 13.683 -16.873 15.658 1.00 63.20 C ATOM 620 CG2 ILE A 40 11.396 -17.609 14.930 1.00 63.11 C ATOM 621 CD1 ILE A 40 14.325 -17.325 14.365 1.00 11.34 C ATOM 0 H ILE A 40 12.417 -15.119 17.277 1.00 4.54 H new ATOM 0 HA ILE A 40 10.871 -17.615 17.520 1.00 42.33 H new ATOM 0 HB ILE A 40 12.721 -18.703 16.192 1.00 22.13 H new ATOM 0 HG12 ILE A 40 13.422 -15.818 15.572 1.00 63.20 H new ATOM 0 HG13 ILE A 40 14.414 -16.956 16.462 1.00 63.20 H new ATOM 0 HG21 ILE A 40 11.834 -17.988 14.007 1.00 63.11 H new ATOM 0 HG22 ILE A 40 10.537 -18.222 15.203 1.00 63.11 H new ATOM 0 HG23 ILE A 40 11.074 -16.578 14.782 1.00 63.11 H new ATOM 0 HD11 ILE A 40 15.205 -16.715 14.163 1.00 11.34 H new ATOM 0 HD12 ILE A 40 14.620 -18.371 14.451 1.00 11.34 H new ATOM 0 HD13 ILE A 40 13.613 -17.216 13.547 1.00 11.34 H new ATOM 633 N GLU A 41 12.736 -18.728 18.943 1.00 61.12 N ATOM 634 CA GLU A 41 13.483 -19.183 20.107 1.00 13.03 C ATOM 635 C GLU A 41 14.544 -20.215 19.709 1.00 60.15 C ATOM 636 O GLU A 41 14.371 -20.955 18.739 1.00 54.15 O ATOM 637 CB GLU A 41 12.510 -19.797 21.124 1.00 74.33 C ATOM 638 CG GLU A 41 13.140 -20.149 22.465 1.00 15.40 C ATOM 639 CD GLU A 41 12.192 -20.897 23.387 1.00 2.52 C ATOM 640 OE1 GLU A 41 10.989 -20.567 23.412 1.00 21.53 O ATOM 641 OE2 GLU A 41 12.655 -21.813 24.103 1.00 65.45 O1- ATOM 0 H GLU A 41 12.192 -19.460 18.486 1.00 61.12 H new ATOM 0 HA GLU A 41 13.993 -18.329 20.553 1.00 13.03 H new ATOM 0 HB2 GLU A 41 11.692 -19.097 21.293 1.00 74.33 H new ATOM 0 HB3 GLU A 41 12.075 -20.699 20.693 1.00 74.33 H new ATOM 0 HG2 GLU A 41 14.028 -20.757 22.295 1.00 15.40 H new ATOM 0 HG3 GLU A 41 13.470 -19.234 22.957 1.00 15.40 H new ATOM 648 N TYR A 42 15.639 -20.250 20.457 1.00 75.13 N ATOM 649 CA TYR A 42 16.692 -21.237 20.250 1.00 70.02 C ATOM 650 C TYR A 42 16.478 -22.433 21.166 1.00 70.13 C ATOM 651 O TYR A 42 16.748 -22.365 22.363 1.00 31.24 O ATOM 652 CB TYR A 42 18.075 -20.628 20.506 1.00 71.13 C ATOM 653 CG TYR A 42 18.636 -19.860 19.331 1.00 14.45 C ATOM 654 CD1 TYR A 42 19.854 -20.219 18.764 1.00 42.45 C ATOM 655 CD2 TYR A 42 17.951 -18.787 18.782 1.00 74.53 C ATOM 656 CE1 TYR A 42 20.371 -19.527 17.684 1.00 52.40 C ATOM 657 CE2 TYR A 42 18.460 -18.093 17.705 1.00 60.14 C ATOM 658 CZ TYR A 42 19.669 -18.465 17.159 1.00 71.20 C ATOM 659 OH TYR A 42 20.177 -17.763 16.086 1.00 33.12 O ATOM 0 H TYR A 42 15.822 -19.599 21.221 1.00 75.13 H new ATOM 0 HA TYR A 42 16.647 -21.566 19.212 1.00 70.02 H new ATOM 0 HB2 TYR A 42 18.014 -19.962 21.366 1.00 71.13 H new ATOM 0 HB3 TYR A 42 18.769 -21.426 20.770 1.00 71.13 H new ATOM 0 HD1 TYR A 42 20.405 -21.052 19.174 1.00 42.45 H new ATOM 0 HD2 TYR A 42 17.003 -18.490 19.205 1.00 74.53 H new ATOM 0 HE1 TYR A 42 21.319 -19.817 17.255 1.00 52.40 H new ATOM 0 HE2 TYR A 42 17.912 -17.260 17.290 1.00 60.14 H new ATOM 0 HH TYR A 42 19.489 -17.682 15.393 1.00 33.12 H new ATOM 669 N VAL A 43 15.957 -23.515 20.612 1.00 14.33 N ATOM 670 CA VAL A 43 15.660 -24.695 21.407 1.00 13.01 C ATOM 671 C VAL A 43 16.629 -25.831 21.109 1.00 43.53 C ATOM 672 O VAL A 43 17.239 -25.883 20.041 1.00 23.35 O ATOM 673 CB VAL A 43 14.214 -25.187 21.189 1.00 2.42 C ATOM 674 CG1 VAL A 43 13.223 -24.187 21.764 1.00 12.10 C ATOM 675 CG2 VAL A 43 13.936 -25.435 19.712 1.00 10.23 C ATOM 0 H VAL A 43 15.732 -23.601 19.621 1.00 14.33 H new ATOM 0 HA VAL A 43 15.774 -24.397 22.449 1.00 13.01 H new ATOM 0 HB VAL A 43 14.094 -26.135 21.714 1.00 2.42 H new ATOM 0 HG11 VAL A 43 12.207 -24.548 21.603 1.00 12.10 H new ATOM 0 HG12 VAL A 43 13.402 -24.071 22.833 1.00 12.10 H new ATOM 0 HG13 VAL A 43 13.349 -23.224 21.269 1.00 12.10 H new ATOM 0 HG21 VAL A 43 12.910 -25.781 19.588 1.00 10.23 H new ATOM 0 HG22 VAL A 43 14.077 -24.509 19.155 1.00 10.23 H new ATOM 0 HG23 VAL A 43 14.622 -26.193 19.335 1.00 10.23 H new ATOM 685 N CYS A 44 16.767 -26.729 22.067 1.00 44.41 N ATOM 686 CA CYS A 44 17.626 -27.887 21.923 1.00 33.42 C ATOM 687 C CYS A 44 16.762 -29.071 21.477 1.00 23.24 C ATOM 688 O CYS A 44 15.544 -29.044 21.658 1.00 51.42 O ATOM 689 CB CYS A 44 18.317 -28.158 23.265 1.00 2.24 C ATOM 690 SG CYS A 44 19.856 -29.130 23.184 1.00 3.51 S ATOM 0 H CYS A 44 16.287 -26.675 22.965 1.00 44.41 H new ATOM 0 HA CYS A 44 18.400 -27.722 21.174 1.00 33.42 H new ATOM 0 HB2 CYS A 44 18.539 -27.201 23.738 1.00 2.24 H new ATOM 0 HB3 CYS A 44 17.614 -28.679 23.915 1.00 2.24 H new ATOM 695 N ARG A 45 17.367 -30.087 20.875 1.00 62.05 N ATOM 696 CA ARG A 45 16.598 -31.196 20.313 1.00 5.01 C ATOM 697 C ARG A 45 15.873 -32.001 21.389 1.00 54.03 C ATOM 698 O ARG A 45 16.498 -32.593 22.268 1.00 24.32 O ATOM 699 CB ARG A 45 17.494 -32.109 19.475 1.00 71.44 C ATOM 700 CG ARG A 45 17.459 -31.780 17.992 1.00 42.32 C ATOM 701 CD ARG A 45 16.075 -32.032 17.412 1.00 12.32 C ATOM 702 NE ARG A 45 15.959 -31.604 16.016 1.00 32.41 N ATOM 703 CZ ARG A 45 14.899 -31.848 15.244 1.00 70.05 C ATOM 704 NH1 ARG A 45 13.881 -32.564 15.709 1.00 54.35 N1+ ATOM 705 NH2 ARG A 45 14.859 -31.381 14.002 1.00 35.41 N ATOM 0 H ARG A 45 18.377 -30.169 20.763 1.00 62.05 H new ATOM 0 HA ARG A 45 15.837 -30.759 19.667 1.00 5.01 H new ATOM 0 HB2 ARG A 45 18.520 -32.031 19.834 1.00 71.44 H new ATOM 0 HB3 ARG A 45 17.184 -33.144 19.619 1.00 71.44 H new ATOM 0 HG2 ARG A 45 17.737 -30.737 17.840 1.00 42.32 H new ATOM 0 HG3 ARG A 45 18.195 -32.386 17.464 1.00 42.32 H new ATOM 0 HD2 ARG A 45 15.845 -33.095 17.482 1.00 12.32 H new ATOM 0 HD3 ARG A 45 15.333 -31.505 18.012 1.00 12.32 H new ATOM 0 HE ARG A 45 16.738 -31.087 15.609 1.00 32.41 H new ATOM 0 HH11 ARG A 45 13.908 -32.930 16.661 1.00 54.35 H new ATOM 0 HH12 ARG A 45 13.073 -32.748 15.114 1.00 54.35 H new ATOM 0 HH21 ARG A 45 15.639 -30.835 13.637 1.00 35.41 H new ATOM 0 HH22 ARG A 45 14.048 -31.568 13.413 1.00 35.41 H new ATOM 719 N GLY A 46 14.546 -32.006 21.306 1.00 62.21 N ATOM 720 CA GLY A 46 13.734 -32.755 22.245 1.00 35.13 C ATOM 721 C GLY A 46 13.056 -31.848 23.251 1.00 50.42 C ATOM 722 O GLY A 46 12.547 -30.786 22.892 1.00 24.32 O ATOM 0 H GLY A 46 14.016 -31.499 20.597 1.00 62.21 H new ATOM 0 HA2 GLY A 46 12.979 -33.323 21.701 1.00 35.13 H new ATOM 0 HA3 GLY A 46 14.359 -33.477 22.770 1.00 35.13 H new ATOM 726 N GLU A 47 13.054 -32.258 24.511 1.00 62.41 N ATOM 727 CA GLU A 47 12.544 -31.417 25.586 1.00 21.42 C ATOM 728 C GLU A 47 13.712 -30.735 26.280 1.00 12.53 C ATOM 729 O GLU A 47 13.619 -30.292 27.426 1.00 4.41 O ATOM 730 CB GLU A 47 11.729 -32.239 26.589 1.00 22.13 C ATOM 731 CG GLU A 47 12.513 -33.350 27.263 1.00 11.01 C ATOM 732 CD GLU A 47 11.725 -34.006 28.371 1.00 54.23 C ATOM 733 OE1 GLU A 47 11.023 -35.001 28.101 1.00 31.03 O ATOM 734 OE2 GLU A 47 11.795 -33.519 29.517 1.00 71.43 O1- ATOM 0 H GLU A 47 13.400 -33.168 24.815 1.00 62.41 H new ATOM 0 HA GLU A 47 11.880 -30.663 25.163 1.00 21.42 H new ATOM 0 HB2 GLU A 47 11.335 -31.571 27.355 1.00 22.13 H new ATOM 0 HB3 GLU A 47 10.872 -32.674 26.074 1.00 22.13 H new ATOM 0 HG2 GLU A 47 12.790 -34.100 26.522 1.00 11.01 H new ATOM 0 HG3 GLU A 47 13.440 -32.945 27.668 1.00 11.01 H new ATOM 741 N ARG A 48 14.806 -30.637 25.548 1.00 3.22 N ATOM 742 CA ARG A 48 16.026 -30.040 26.051 1.00 11.31 C ATOM 743 C ARG A 48 15.994 -28.543 25.790 1.00 51.34 C ATOM 744 O ARG A 48 15.637 -28.104 24.697 1.00 74.21 O ATOM 745 CB ARG A 48 17.233 -30.669 25.348 1.00 14.32 C ATOM 746 CG ARG A 48 17.277 -32.185 25.450 1.00 42.31 C ATOM 747 CD ARG A 48 18.206 -32.651 26.556 1.00 42.54 C ATOM 748 NE ARG A 48 19.614 -32.508 26.186 1.00 62.44 N ATOM 749 CZ ARG A 48 20.587 -32.200 27.044 1.00 10.24 C ATOM 750 NH1 ARG A 48 20.303 -31.945 28.313 1.00 25.54 N1+ ATOM 751 NH2 ARG A 48 21.841 -32.129 26.622 1.00 20.12 N ATOM 0 H ARG A 48 14.872 -30.970 24.586 1.00 3.22 H new ATOM 0 HA ARG A 48 16.109 -30.218 27.123 1.00 11.31 H new ATOM 0 HB2 ARG A 48 17.218 -30.385 24.296 1.00 14.32 H new ATOM 0 HB3 ARG A 48 18.147 -30.258 25.777 1.00 14.32 H new ATOM 0 HG2 ARG A 48 16.273 -32.566 25.635 1.00 42.31 H new ATOM 0 HG3 ARG A 48 17.606 -32.603 24.499 1.00 42.31 H new ATOM 0 HD2 ARG A 48 18.009 -32.076 27.461 1.00 42.54 H new ATOM 0 HD3 ARG A 48 17.997 -33.695 26.789 1.00 42.54 H new ATOM 0 HE ARG A 48 19.868 -32.653 25.209 1.00 62.44 H new ATOM 0 HH11 ARG A 48 19.337 -31.984 28.637 1.00 25.54 H new ATOM 0 HH12 ARG A 48 21.051 -31.710 28.966 1.00 25.54 H new ATOM 0 HH21 ARG A 48 22.060 -32.310 25.642 1.00 20.12 H new ATOM 0 HH22 ARG A 48 22.587 -31.894 27.277 1.00 20.12 H new ATOM 765 N GLU A 49 16.350 -27.759 26.787 1.00 44.11 N ATOM 766 CA GLU A 49 16.332 -26.317 26.640 1.00 30.02 C ATOM 767 C GLU A 49 17.724 -25.743 26.776 1.00 63.13 C ATOM 768 O GLU A 49 18.663 -26.442 27.154 1.00 72.31 O ATOM 769 CB GLU A 49 15.421 -25.664 27.674 1.00 5.24 C ATOM 770 CG GLU A 49 13.966 -26.059 27.556 1.00 21.11 C ATOM 771 CD GLU A 49 13.060 -25.080 28.269 1.00 74.41 C ATOM 772 OE1 GLU A 49 11.957 -24.801 27.751 1.00 50.41 O ATOM 773 OE2 GLU A 49 13.463 -24.557 29.334 1.00 41.04 O1- ATOM 0 H GLU A 49 16.653 -28.092 27.702 1.00 44.11 H new ATOM 0 HA GLU A 49 15.947 -26.103 25.643 1.00 30.02 H new ATOM 0 HB2 GLU A 49 15.777 -25.924 28.671 1.00 5.24 H new ATOM 0 HB3 GLU A 49 15.501 -24.581 27.580 1.00 5.24 H new ATOM 0 HG2 GLU A 49 13.688 -26.112 26.503 1.00 21.11 H new ATOM 0 HG3 GLU A 49 13.825 -27.056 27.974 1.00 21.11 H new ATOM 780 N VAL A 50 17.844 -24.472 26.458 1.00 34.14 N ATOM 781 CA VAL A 50 19.079 -23.746 26.651 1.00 54.31 C ATOM 782 C VAL A 50 18.851 -22.631 27.655 1.00 4.42 C ATOM 783 O VAL A 50 17.737 -22.119 27.766 1.00 41.03 O ATOM 784 CB VAL A 50 19.602 -23.134 25.328 1.00 15.41 C ATOM 785 CG1 VAL A 50 19.838 -24.211 24.282 1.00 14.02 C ATOM 786 CG2 VAL A 50 18.641 -22.083 24.797 1.00 31.42 C ATOM 0 H VAL A 50 17.089 -23.914 26.059 1.00 34.14 H new ATOM 0 HA VAL A 50 19.827 -24.450 27.017 1.00 54.31 H new ATOM 0 HB VAL A 50 20.556 -22.651 25.543 1.00 15.41 H new ATOM 0 HG11 VAL A 50 20.205 -23.752 23.364 1.00 14.02 H new ATOM 0 HG12 VAL A 50 20.576 -24.922 24.652 1.00 14.02 H new ATOM 0 HG13 VAL A 50 18.902 -24.732 24.079 1.00 14.02 H new ATOM 0 HG21 VAL A 50 19.032 -21.669 23.867 1.00 31.42 H new ATOM 0 HG22 VAL A 50 17.669 -22.540 24.610 1.00 31.42 H new ATOM 0 HG23 VAL A 50 18.532 -21.285 25.532 1.00 31.42 H new ATOM 796 N VAL A 51 19.874 -22.278 28.406 1.00 23.20 N ATOM 797 CA VAL A 51 19.793 -21.098 29.242 1.00 2.24 C ATOM 798 C VAL A 51 20.637 -19.995 28.613 1.00 12.52 C ATOM 799 O VAL A 51 21.861 -19.941 28.763 1.00 73.23 O ATOM 800 CB VAL A 51 20.217 -21.385 30.707 1.00 35.20 C ATOM 801 CG1 VAL A 51 21.550 -22.117 30.768 1.00 24.00 C ATOM 802 CG2 VAL A 51 20.256 -20.099 31.520 1.00 4.13 C ATOM 0 H VAL A 51 20.759 -22.783 28.455 1.00 23.20 H new ATOM 0 HA VAL A 51 18.754 -20.773 29.296 1.00 2.24 H new ATOM 0 HB VAL A 51 19.467 -22.041 31.149 1.00 35.20 H new ATOM 0 HG11 VAL A 51 21.816 -22.302 31.809 1.00 24.00 H new ATOM 0 HG12 VAL A 51 21.468 -23.067 30.240 1.00 24.00 H new ATOM 0 HG13 VAL A 51 22.322 -21.507 30.299 1.00 24.00 H new ATOM 0 HG21 VAL A 51 20.556 -20.325 32.543 1.00 4.13 H new ATOM 0 HG22 VAL A 51 20.973 -19.409 31.076 1.00 4.13 H new ATOM 0 HG23 VAL A 51 19.267 -19.641 31.524 1.00 4.13 H new ATOM 812 N GLY A 52 19.965 -19.159 27.847 1.00 43.00 N ATOM 813 CA GLY A 52 20.628 -18.109 27.110 1.00 12.21 C ATOM 814 C GLY A 52 19.690 -16.966 26.802 1.00 21.54 C ATOM 815 O GLY A 52 18.486 -17.073 27.050 1.00 21.14 O ATOM 0 H GLY A 52 18.953 -19.190 27.720 1.00 43.00 H new ATOM 0 HA2 GLY A 52 21.476 -17.739 27.687 1.00 12.21 H new ATOM 0 HA3 GLY A 52 21.027 -18.513 26.180 1.00 12.21 H new ATOM 819 N PRO A 53 20.198 -15.856 26.257 1.00 41.45 N ATOM 820 CA PRO A 53 19.354 -14.772 25.747 1.00 13.20 C ATOM 821 C PRO A 53 18.693 -15.176 24.425 1.00 34.33 C ATOM 822 O PRO A 53 18.775 -14.467 23.420 1.00 53.40 O ATOM 823 CB PRO A 53 20.341 -13.623 25.548 1.00 30.31 C ATOM 824 CG PRO A 53 21.661 -14.275 25.331 1.00 70.42 C ATOM 825 CD PRO A 53 21.634 -15.569 26.096 1.00 22.42 C ATOM 0 HA PRO A 53 18.534 -14.511 26.416 1.00 13.20 H new ATOM 0 HB2 PRO A 53 20.061 -13.007 24.693 1.00 30.31 H new ATOM 0 HB3 PRO A 53 20.364 -12.968 26.419 1.00 30.31 H new ATOM 0 HG2 PRO A 53 21.834 -14.456 24.270 1.00 70.42 H new ATOM 0 HG3 PRO A 53 22.471 -13.635 25.681 1.00 70.42 H new ATOM 0 HD2 PRO A 53 22.142 -16.365 25.552 1.00 22.42 H new ATOM 0 HD3 PRO A 53 22.133 -15.473 27.060 1.00 22.42 H new ATOM 833 N LYS A 54 18.026 -16.328 24.463 1.00 53.33 N ATOM 834 CA LYS A 54 17.444 -16.960 23.285 1.00 53.43 C ATOM 835 C LYS A 54 16.257 -16.166 22.738 1.00 54.24 C ATOM 836 O LYS A 54 15.117 -16.351 23.162 1.00 72.35 O ATOM 837 CB LYS A 54 17.007 -18.393 23.630 1.00 14.34 C ATOM 838 CG LYS A 54 16.142 -18.475 24.881 1.00 2.25 C ATOM 839 CD LYS A 54 15.550 -19.858 25.075 1.00 62.01 C ATOM 840 CE LYS A 54 14.581 -19.875 26.248 1.00 22.54 C ATOM 841 NZ LYS A 54 13.866 -21.171 26.365 1.00 20.32 N1+ ATOM 0 H LYS A 54 17.874 -16.853 25.324 1.00 53.33 H new ATOM 0 HA LYS A 54 18.207 -16.984 22.507 1.00 53.43 H new ATOM 0 HB2 LYS A 54 16.455 -18.810 22.787 1.00 14.34 H new ATOM 0 HB3 LYS A 54 17.893 -19.012 23.768 1.00 14.34 H new ATOM 0 HG2 LYS A 54 16.741 -18.212 25.753 1.00 2.25 H new ATOM 0 HG3 LYS A 54 15.337 -17.743 24.814 1.00 2.25 H new ATOM 0 HD2 LYS A 54 15.033 -20.167 24.167 1.00 62.01 H new ATOM 0 HD3 LYS A 54 16.349 -20.579 25.248 1.00 62.01 H new ATOM 0 HE2 LYS A 54 15.127 -19.678 27.171 1.00 22.54 H new ATOM 0 HE3 LYS A 54 13.855 -19.071 26.129 1.00 22.54 H new ATOM 0 HZ1 LYS A 54 13.012 -21.045 26.944 1.00 20.32 H new ATOM 0 HZ2 LYS A 54 13.596 -21.505 25.418 1.00 20.32 H new ATOM 0 HZ3 LYS A 54 14.489 -21.872 26.815 1.00 20.32 H new ATOM 855 N VAL A 55 16.532 -15.262 21.814 1.00 2.14 N ATOM 856 CA VAL A 55 15.474 -14.525 21.148 1.00 11.43 C ATOM 857 C VAL A 55 15.973 -13.917 19.843 1.00 43.22 C ATOM 858 O VAL A 55 17.058 -13.333 19.776 1.00 65.24 O ATOM 859 CB VAL A 55 14.874 -13.424 22.058 1.00 34.24 C ATOM 860 CG1 VAL A 55 15.931 -12.419 22.483 1.00 71.14 C ATOM 861 CG2 VAL A 55 13.716 -12.722 21.367 1.00 74.12 C ATOM 0 H VAL A 55 17.475 -15.022 21.509 1.00 2.14 H new ATOM 0 HA VAL A 55 14.681 -15.238 20.923 1.00 11.43 H new ATOM 0 HB VAL A 55 14.495 -13.911 22.957 1.00 34.24 H new ATOM 0 HG11 VAL A 55 15.476 -11.660 23.120 1.00 71.14 H new ATOM 0 HG12 VAL A 55 16.719 -12.931 23.034 1.00 71.14 H new ATOM 0 HG13 VAL A 55 16.357 -11.943 21.600 1.00 71.14 H new ATOM 0 HG21 VAL A 55 13.311 -11.953 22.026 1.00 74.12 H new ATOM 0 HG22 VAL A 55 14.068 -12.261 20.444 1.00 74.12 H new ATOM 0 HG23 VAL A 55 12.937 -13.448 21.135 1.00 74.12 H new ATOM 871 N ARG A 56 15.199 -14.110 18.794 1.00 3.44 N ATOM 872 CA ARG A 56 15.458 -13.458 17.527 1.00 30.34 C ATOM 873 C ARG A 56 14.256 -12.627 17.143 1.00 34.22 C ATOM 874 O ARG A 56 13.178 -13.163 16.897 1.00 45.24 O ATOM 875 CB ARG A 56 15.760 -14.473 16.428 1.00 31.13 C ATOM 876 CG ARG A 56 17.032 -15.255 16.657 1.00 60.22 C ATOM 877 CD ARG A 56 18.231 -14.333 16.724 1.00 12.52 C ATOM 878 NE ARG A 56 19.465 -15.057 16.992 1.00 73.32 N ATOM 879 CZ ARG A 56 20.236 -14.830 18.050 1.00 41.54 C ATOM 880 NH1 ARG A 56 19.816 -14.029 19.026 1.00 41.24 N1+ ATOM 881 NH2 ARG A 56 21.405 -15.439 18.157 1.00 53.04 N ATOM 0 H ARG A 56 14.380 -14.718 18.795 1.00 3.44 H new ATOM 0 HA ARG A 56 16.335 -12.820 17.639 1.00 30.34 H new ATOM 0 HB2 ARG A 56 14.925 -15.169 16.349 1.00 31.13 H new ATOM 0 HB3 ARG A 56 15.831 -13.951 15.474 1.00 31.13 H new ATOM 0 HG2 ARG A 56 16.953 -15.822 17.584 1.00 60.22 H new ATOM 0 HG3 ARG A 56 17.169 -15.977 15.852 1.00 60.22 H new ATOM 0 HD2 ARG A 56 18.325 -13.793 15.782 1.00 12.52 H new ATOM 0 HD3 ARG A 56 18.072 -13.588 17.504 1.00 12.52 H new ATOM 0 HE ARG A 56 19.754 -15.778 16.331 1.00 73.32 H new ATOM 0 HH11 ARG A 56 18.899 -13.587 18.964 1.00 41.24 H new ATOM 0 HH12 ARG A 56 20.411 -13.857 19.837 1.00 41.24 H new ATOM 0 HH21 ARG A 56 21.714 -16.082 17.428 1.00 53.04 H new ATOM 0 HH22 ARG A 56 21.998 -15.266 18.969 1.00 53.04 H new ATOM 895 N LYS A 57 14.436 -11.323 17.118 1.00 33.31 N ATOM 896 CA LYS A 57 13.347 -10.423 16.807 1.00 4.11 C ATOM 897 C LYS A 57 13.554 -9.809 15.434 1.00 15.33 C ATOM 898 O LYS A 57 14.640 -9.315 15.128 1.00 3.22 O ATOM 899 CB LYS A 57 13.253 -9.333 17.871 1.00 43.11 C ATOM 900 CG LYS A 57 12.004 -8.473 17.765 1.00 71.30 C ATOM 901 CD LYS A 57 11.926 -7.474 18.905 1.00 14.43 C ATOM 902 CE LYS A 57 11.905 -8.168 20.259 1.00 11.33 C ATOM 903 NZ LYS A 57 11.812 -7.197 21.379 1.00 52.31 N1+ ATOM 0 H LYS A 57 15.326 -10.863 17.309 1.00 33.31 H new ATOM 0 HA LYS A 57 12.412 -10.984 16.798 1.00 4.11 H new ATOM 0 HB2 LYS A 57 13.279 -9.798 18.856 1.00 43.11 H new ATOM 0 HB3 LYS A 57 14.131 -8.691 17.798 1.00 43.11 H new ATOM 0 HG2 LYS A 57 12.004 -7.943 16.813 1.00 71.30 H new ATOM 0 HG3 LYS A 57 11.119 -9.110 17.775 1.00 71.30 H new ATOM 0 HD2 LYS A 57 12.779 -6.798 18.856 1.00 14.43 H new ATOM 0 HD3 LYS A 57 11.029 -6.864 18.794 1.00 14.43 H new ATOM 0 HE2 LYS A 57 11.059 -8.854 20.302 1.00 11.33 H new ATOM 0 HE3 LYS A 57 12.808 -8.768 20.373 1.00 11.33 H new ATOM 0 HZ1 LYS A 57 11.800 -7.710 22.283 1.00 52.31 H new ATOM 0 HZ2 LYS A 57 12.632 -6.558 21.354 1.00 52.31 H new ATOM 0 HZ3 LYS A 57 10.938 -6.641 21.285 1.00 52.31 H new ATOM 917 N CYS A 58 12.527 -9.871 14.605 1.00 72.13 N ATOM 918 CA CYS A 58 12.589 -9.290 13.277 1.00 62.31 C ATOM 919 C CYS A 58 11.965 -7.900 13.280 1.00 74.10 C ATOM 920 O CYS A 58 10.762 -7.745 13.517 1.00 14.35 O ATOM 921 CB CYS A 58 11.874 -10.188 12.263 1.00 65.03 C ATOM 922 SG CYS A 58 11.929 -9.569 10.551 1.00 34.12 S ATOM 0 H CYS A 58 11.639 -10.319 14.829 1.00 72.13 H new ATOM 0 HA CYS A 58 13.636 -9.205 12.986 1.00 62.31 H new ATOM 0 HB2 CYS A 58 12.323 -11.181 12.293 1.00 65.03 H new ATOM 0 HB3 CYS A 58 10.832 -10.300 12.564 1.00 65.03 H new ATOM 927 N LEU A 59 12.791 -6.895 13.047 1.00 20.31 N ATOM 928 CA LEU A 59 12.324 -5.520 12.966 1.00 35.20 C ATOM 929 C LEU A 59 12.106 -5.153 11.506 1.00 35.41 C ATOM 930 O LEU A 59 12.221 -6.006 10.628 1.00 75.32 O ATOM 931 CB LEU A 59 13.322 -4.550 13.610 1.00 75.13 C ATOM 932 CG LEU A 59 13.739 -4.879 15.044 1.00 73.02 C ATOM 933 CD1 LEU A 59 14.597 -3.758 15.613 1.00 24.20 C ATOM 934 CD2 LEU A 59 12.520 -5.120 15.919 1.00 11.24 C ATOM 0 H LEU A 59 13.796 -7.006 12.910 1.00 20.31 H new ATOM 0 HA LEU A 59 11.386 -5.439 13.514 1.00 35.20 H new ATOM 0 HB2 LEU A 59 14.218 -4.515 12.990 1.00 75.13 H new ATOM 0 HB3 LEU A 59 12.887 -3.550 13.598 1.00 75.13 H new ATOM 0 HG LEU A 59 14.329 -5.795 15.030 1.00 73.02 H new ATOM 0 HD11 LEU A 59 14.887 -4.005 16.634 1.00 24.20 H new ATOM 0 HD12 LEU A 59 15.491 -3.637 15.001 1.00 24.20 H new ATOM 0 HD13 LEU A 59 14.028 -2.828 15.612 1.00 24.20 H new ATOM 0 HD21 LEU A 59 12.841 -5.352 16.934 1.00 11.24 H new ATOM 0 HD22 LEU A 59 11.898 -4.225 15.931 1.00 11.24 H new ATOM 0 HD23 LEU A 59 11.945 -5.956 15.520 1.00 11.24 H new ATOM 946 N ALA A 60 11.754 -3.897 11.250 1.00 33.55 N ATOM 947 CA ALA A 60 11.565 -3.413 9.883 1.00 14.42 C ATOM 948 C ALA A 60 12.906 -3.288 9.149 1.00 34.01 C ATOM 949 O ALA A 60 13.264 -2.219 8.650 1.00 3.23 O ATOM 950 CB ALA A 60 10.837 -2.076 9.894 1.00 21.55 C ATOM 0 H ALA A 60 11.593 -3.194 11.971 1.00 33.55 H new ATOM 0 HA ALA A 60 10.957 -4.141 9.346 1.00 14.42 H new ATOM 0 HB1 ALA A 60 10.703 -1.726 8.870 1.00 21.55 H new ATOM 0 HB2 ALA A 60 9.863 -2.196 10.367 1.00 21.55 H new ATOM 0 HB3 ALA A 60 11.424 -1.347 10.452 1.00 21.55 H new ATOM 956 N ASN A 61 13.642 -4.391 9.105 1.00 62.21 N ATOM 957 CA ASN A 61 14.931 -4.465 8.432 1.00 25.33 C ATOM 958 C ASN A 61 15.254 -5.930 8.153 1.00 24.31 C ATOM 959 O ASN A 61 14.608 -6.823 8.694 1.00 33.40 O ATOM 960 CB ASN A 61 16.034 -3.810 9.281 1.00 32.31 C ATOM 961 CG ASN A 61 16.306 -4.548 10.581 1.00 74.35 C ATOM 962 OD1 ASN A 61 15.646 -4.316 11.590 1.00 1.31 O ATOM 963 ND2 ASN A 61 17.304 -5.418 10.572 1.00 4.55 N ATOM 0 H ASN A 61 13.357 -5.268 9.540 1.00 62.21 H new ATOM 0 HA ASN A 61 14.882 -3.918 7.491 1.00 25.33 H new ATOM 0 HB2 ASN A 61 16.954 -3.764 8.698 1.00 32.31 H new ATOM 0 HB3 ASN A 61 15.748 -2.783 9.507 1.00 32.31 H new ATOM 0 HD21 ASN A 61 17.548 -5.923 11.424 1.00 4.55 H new ATOM 0 HD22 ASN A 61 17.829 -5.583 9.713 1.00 4.55 H new ATOM 970 N GLY A 62 16.259 -6.183 7.329 1.00 21.23 N ATOM 971 CA GLY A 62 16.518 -7.539 6.877 1.00 43.34 C ATOM 972 C GLY A 62 17.502 -8.295 7.753 1.00 30.15 C ATOM 973 O GLY A 62 18.426 -8.927 7.240 1.00 74.22 O ATOM 0 H GLY A 62 16.900 -5.478 6.965 1.00 21.23 H new ATOM 0 HA2 GLY A 62 15.577 -8.088 6.845 1.00 43.34 H new ATOM 0 HA3 GLY A 62 16.903 -7.506 5.858 1.00 43.34 H new ATOM 977 N SER A 63 17.308 -8.239 9.068 1.00 32.44 N ATOM 978 CA SER A 63 18.176 -8.945 10.009 1.00 55.04 C ATOM 979 C SER A 63 17.486 -9.115 11.360 1.00 64.31 C ATOM 980 O SER A 63 16.860 -8.184 11.866 1.00 34.44 O ATOM 981 CB SER A 63 19.489 -8.177 10.221 1.00 2.41 C ATOM 982 OG SER A 63 20.173 -7.956 8.999 1.00 62.04 O ATOM 0 H SER A 63 16.555 -7.710 9.508 1.00 32.44 H new ATOM 0 HA SER A 63 18.391 -9.925 9.582 1.00 55.04 H new ATOM 0 HB2 SER A 63 19.277 -7.220 10.697 1.00 2.41 H new ATOM 0 HB3 SER A 63 20.131 -8.736 10.901 1.00 2.41 H new ATOM 0 HG SER A 63 19.846 -8.585 8.322 1.00 62.04 H new ATOM 988 N TRP A 64 17.601 -10.307 11.936 1.00 43.33 N ATOM 989 CA TRP A 64 17.143 -10.533 13.298 1.00 43.33 C ATOM 990 C TRP A 64 18.103 -9.814 14.245 1.00 14.23 C ATOM 991 O TRP A 64 19.309 -10.071 14.227 1.00 63.32 O ATOM 992 CB TRP A 64 17.084 -12.032 13.607 1.00 65.43 C ATOM 993 CG TRP A 64 16.244 -12.821 12.638 1.00 63.21 C ATOM 994 CD1 TRP A 64 16.642 -13.329 11.433 1.00 40.32 C ATOM 995 CD2 TRP A 64 14.872 -13.202 12.798 1.00 51.21 C ATOM 996 NE1 TRP A 64 15.602 -14.000 10.836 1.00 61.14 N ATOM 997 CE2 TRP A 64 14.505 -13.935 11.652 1.00 3.21 C ATOM 998 CE3 TRP A 64 13.917 -12.995 13.793 1.00 55.00 C ATOM 999 CZ2 TRP A 64 13.226 -14.460 11.480 1.00 45.44 C ATOM 1000 CZ3 TRP A 64 12.649 -13.514 13.623 1.00 13.34 C ATOM 1001 CH2 TRP A 64 12.313 -14.239 12.474 1.00 30.45 C ATOM 0 H TRP A 64 18.005 -11.126 11.482 1.00 43.33 H new ATOM 0 HA TRP A 64 16.135 -10.140 13.426 1.00 43.33 H new ATOM 0 HB2 TRP A 64 18.097 -12.434 13.605 1.00 65.43 H new ATOM 0 HB3 TRP A 64 16.688 -12.171 14.613 1.00 65.43 H new ATOM 0 HD1 TRP A 64 17.630 -13.219 11.011 1.00 40.32 H new ATOM 0 HE1 TRP A 64 15.641 -14.470 9.932 1.00 61.14 H new ATOM 0 HE3 TRP A 64 14.166 -12.437 14.684 1.00 55.00 H new ATOM 0 HZ2 TRP A 64 12.965 -15.021 10.595 1.00 45.44 H new ATOM 0 HZ3 TRP A 64 11.904 -13.358 14.389 1.00 13.34 H new ATOM 0 HH2 TRP A 64 11.312 -14.632 12.370 1.00 30.45 H new ATOM 1012 N THR A 65 17.568 -8.925 15.067 1.00 64.24 N ATOM 1013 CA THR A 65 18.373 -7.936 15.778 1.00 62.45 C ATOM 1014 C THR A 65 19.136 -8.473 16.997 1.00 71.12 C ATOM 1015 O THR A 65 19.247 -7.776 18.005 1.00 30.41 O ATOM 1016 CB THR A 65 17.486 -6.769 16.220 1.00 0.54 C ATOM 1017 OG1 THR A 65 16.272 -7.267 16.806 1.00 14.20 O ATOM 1018 CG2 THR A 65 17.166 -5.879 15.034 1.00 4.51 C ATOM 0 H THR A 65 16.568 -8.866 15.262 1.00 64.24 H new ATOM 0 HA THR A 65 19.133 -7.618 15.064 1.00 62.45 H new ATOM 0 HB THR A 65 18.022 -6.182 16.966 1.00 0.54 H new ATOM 0 HG1 THR A 65 15.712 -6.514 17.087 1.00 14.20 H new ATOM 0 HG21 THR A 65 16.535 -5.052 15.359 1.00 4.51 H new ATOM 0 HG22 THR A 65 18.092 -5.485 14.614 1.00 4.51 H new ATOM 0 HG23 THR A 65 16.641 -6.459 14.275 1.00 4.51 H new ATOM 1026 N ASP A 66 19.670 -9.689 16.921 1.00 71.12 N ATOM 1027 CA ASP A 66 20.525 -10.194 18.002 1.00 34.33 C ATOM 1028 C ASP A 66 21.365 -11.387 17.551 1.00 13.42 C ATOM 1029 O ASP A 66 21.860 -12.140 18.387 1.00 3.12 O ATOM 1030 CB ASP A 66 19.683 -10.596 19.226 1.00 63.41 C ATOM 1031 CG ASP A 66 20.523 -10.840 20.468 1.00 40.15 C ATOM 1032 OD1 ASP A 66 21.175 -9.891 20.951 1.00 25.14 O ATOM 1033 OD2 ASP A 66 20.516 -11.977 20.983 1.00 24.04 O1- ATOM 0 H ASP A 66 19.533 -10.334 16.143 1.00 71.12 H new ATOM 0 HA ASP A 66 21.199 -9.382 18.277 1.00 34.33 H new ATOM 0 HB2 ASP A 66 18.956 -9.811 19.434 1.00 63.41 H new ATOM 0 HB3 ASP A 66 19.119 -11.499 18.992 1.00 63.41 H new ATOM 1038 N MET A 67 21.564 -11.573 16.246 1.00 22.12 N ATOM 1039 CA MET A 67 22.150 -12.834 15.782 1.00 54.13 C ATOM 1040 C MET A 67 23.659 -12.902 16.029 1.00 53.22 C ATOM 1041 O MET A 67 24.465 -12.657 15.129 1.00 32.02 O ATOM 1042 CB MET A 67 21.880 -13.047 14.290 1.00 11.22 C ATOM 1043 CG MET A 67 20.408 -13.098 13.930 1.00 72.34 C ATOM 1044 SD MET A 67 20.126 -13.386 12.171 1.00 2.02 S ATOM 1045 CE MET A 67 21.025 -12.012 11.453 1.00 10.45 C ATOM 0 H MET A 67 21.339 -10.898 15.515 1.00 22.12 H new ATOM 0 HA MET A 67 21.672 -13.624 16.361 1.00 54.13 H new ATOM 0 HB2 MET A 67 22.353 -12.242 13.727 1.00 11.22 H new ATOM 0 HB3 MET A 67 22.353 -13.977 13.975 1.00 11.22 H new ATOM 0 HG2 MET A 67 19.926 -13.889 14.505 1.00 72.34 H new ATOM 0 HG3 MET A 67 19.935 -12.160 14.220 1.00 72.34 H new ATOM 0 HE1 MET A 67 20.658 -11.824 10.444 1.00 10.45 H new ATOM 0 HE2 MET A 67 20.878 -11.122 12.064 1.00 10.45 H new ATOM 0 HE3 MET A 67 22.087 -12.253 11.413 1.00 10.45 H new ATOM 1055 N ASP A 68 24.012 -13.209 17.270 1.00 24.31 N ATOM 1056 CA ASP A 68 25.328 -13.705 17.650 1.00 2.01 C ATOM 1057 C ASP A 68 25.241 -14.172 19.097 1.00 63.14 C ATOM 1058 O ASP A 68 25.455 -13.378 20.013 1.00 55.15 O ATOM 1059 CB ASP A 68 26.416 -12.636 17.497 1.00 13.54 C ATOM 1060 CG ASP A 68 27.810 -13.226 17.578 1.00 11.43 C ATOM 1061 OD1 ASP A 68 28.397 -13.250 18.679 1.00 34.44 O ATOM 1062 OD2 ASP A 68 28.329 -13.679 16.534 1.00 51.53 O1- ATOM 0 H ASP A 68 23.374 -13.118 18.061 1.00 24.31 H new ATOM 0 HA ASP A 68 25.609 -14.525 16.989 1.00 2.01 H new ATOM 0 HB2 ASP A 68 26.293 -12.128 16.540 1.00 13.54 H new ATOM 0 HB3 ASP A 68 26.296 -11.883 18.276 1.00 13.54 H new ATOM 1067 N THR A 69 24.894 -15.425 19.331 1.00 35.52 N ATOM 1068 CA THR A 69 24.552 -15.836 20.687 1.00 74.33 C ATOM 1069 C THR A 69 24.947 -17.281 20.973 1.00 61.54 C ATOM 1070 O THR A 69 24.553 -18.201 20.254 1.00 13.04 O ATOM 1071 CB THR A 69 23.036 -15.667 20.926 1.00 11.41 C ATOM 1072 OG1 THR A 69 22.578 -14.461 20.309 1.00 32.14 O ATOM 1073 CG2 THR A 69 22.707 -15.602 22.402 1.00 22.51 C ATOM 0 H THR A 69 24.841 -16.159 18.625 1.00 35.52 H new ATOM 0 HA THR A 69 25.115 -15.195 21.365 1.00 74.33 H new ATOM 0 HB THR A 69 22.540 -16.535 20.492 1.00 11.41 H new ATOM 0 HG1 THR A 69 22.194 -13.870 20.990 1.00 32.14 H new ATOM 0 HG21 THR A 69 21.631 -15.483 22.530 1.00 22.51 H new ATOM 0 HG22 THR A 69 23.031 -16.523 22.888 1.00 22.51 H new ATOM 0 HG23 THR A 69 23.222 -14.754 22.853 1.00 22.51 H new ATOM 1081 N PRO A 70 25.741 -17.496 22.032 1.00 34.41 N ATOM 1082 CA PRO A 70 26.107 -18.820 22.500 1.00 42.43 C ATOM 1083 C PRO A 70 25.100 -19.356 23.518 1.00 23.34 C ATOM 1084 O PRO A 70 25.217 -19.107 24.719 1.00 64.14 O ATOM 1085 CB PRO A 70 27.478 -18.604 23.155 1.00 61.51 C ATOM 1086 CG PRO A 70 27.652 -17.117 23.296 1.00 11.35 C ATOM 1087 CD PRO A 70 26.368 -16.462 22.854 1.00 41.03 C ATOM 0 HA PRO A 70 26.125 -19.554 21.695 1.00 42.43 H new ATOM 0 HB2 PRO A 70 27.525 -19.094 24.127 1.00 61.51 H new ATOM 0 HB3 PRO A 70 28.272 -19.032 22.543 1.00 61.51 H new ATOM 0 HG2 PRO A 70 27.879 -16.855 24.329 1.00 11.35 H new ATOM 0 HG3 PRO A 70 28.487 -16.770 22.688 1.00 11.35 H new ATOM 0 HD2 PRO A 70 25.742 -16.186 23.703 1.00 41.03 H new ATOM 0 HD3 PRO A 70 26.554 -15.551 22.285 1.00 41.03 H new ATOM 1095 N SER A 71 24.089 -20.055 23.029 1.00 21.45 N ATOM 1096 CA SER A 71 23.067 -20.620 23.894 1.00 53.41 C ATOM 1097 C SER A 71 23.464 -22.029 24.326 1.00 14.12 C ATOM 1098 O SER A 71 23.633 -22.920 23.496 1.00 73.30 O ATOM 1099 CB SER A 71 21.723 -20.631 23.169 1.00 41.55 C ATOM 1100 OG SER A 71 21.410 -19.337 22.679 1.00 70.34 O ATOM 0 H SER A 71 23.954 -20.245 22.036 1.00 21.45 H new ATOM 0 HA SER A 71 22.972 -20.004 24.789 1.00 53.41 H new ATOM 0 HB2 SER A 71 21.755 -21.341 22.342 1.00 41.55 H new ATOM 0 HB3 SER A 71 20.940 -20.968 23.848 1.00 41.55 H new ATOM 0 HG SER A 71 20.547 -19.363 22.216 1.00 70.34 H new ATOM 1106 N ARG A 72 23.632 -22.213 25.627 1.00 45.03 N ATOM 1107 CA ARG A 72 24.084 -23.485 26.176 1.00 4.44 C ATOM 1108 C ARG A 72 22.904 -24.411 26.480 1.00 75.30 C ATOM 1109 O ARG A 72 22.028 -24.078 27.279 1.00 23.40 O ATOM 1110 CB ARG A 72 24.923 -23.234 27.437 1.00 34.44 C ATOM 1111 CG ARG A 72 24.226 -22.358 28.470 1.00 12.31 C ATOM 1112 CD ARG A 72 25.148 -21.979 29.621 1.00 24.33 C ATOM 1113 NE ARG A 72 26.265 -21.142 29.183 1.00 52.22 N ATOM 1114 CZ ARG A 72 26.684 -20.055 29.833 1.00 64.42 C ATOM 1115 NH1 ARG A 72 26.082 -19.667 30.951 1.00 45.44 N1+ ATOM 1116 NH2 ARG A 72 27.708 -19.354 29.361 1.00 31.31 N ATOM 0 H ARG A 72 23.461 -21.492 26.328 1.00 45.03 H new ATOM 0 HA ARG A 72 24.703 -23.985 25.431 1.00 4.44 H new ATOM 0 HB2 ARG A 72 25.172 -24.192 27.894 1.00 34.44 H new ATOM 0 HB3 ARG A 72 25.863 -22.764 27.150 1.00 34.44 H new ATOM 0 HG2 ARG A 72 23.859 -21.452 27.987 1.00 12.31 H new ATOM 0 HG3 ARG A 72 23.356 -22.884 28.862 1.00 12.31 H new ATOM 0 HD2 ARG A 72 24.576 -21.449 30.383 1.00 24.33 H new ATOM 0 HD3 ARG A 72 25.536 -22.885 30.087 1.00 24.33 H new ATOM 0 HE ARG A 72 26.754 -21.406 28.328 1.00 52.22 H new ATOM 0 HH11 ARG A 72 25.294 -20.201 31.318 1.00 45.44 H new ATOM 0 HH12 ARG A 72 26.407 -18.835 31.443 1.00 45.44 H new ATOM 0 HH21 ARG A 72 28.174 -19.647 28.502 1.00 31.31 H new ATOM 0 HH22 ARG A 72 28.029 -18.523 29.857 1.00 31.31 H new ATOM 1130 N CYS A 73 22.887 -25.568 25.828 1.00 4.41 N ATOM 1131 CA CYS A 73 21.833 -26.561 26.029 1.00 74.22 C ATOM 1132 C CYS A 73 21.995 -27.235 27.388 1.00 15.32 C ATOM 1133 O CYS A 73 22.899 -28.050 27.586 1.00 21.44 O ATOM 1134 CB CYS A 73 21.864 -27.602 24.895 1.00 72.10 C ATOM 1135 SG CYS A 73 20.634 -28.948 25.054 1.00 53.24 S ATOM 0 H CYS A 73 23.597 -25.845 25.150 1.00 4.41 H new ATOM 0 HA CYS A 73 20.865 -26.060 26.010 1.00 74.22 H new ATOM 0 HB2 CYS A 73 21.701 -27.090 23.947 1.00 72.10 H new ATOM 0 HB3 CYS A 73 22.860 -28.042 24.852 1.00 72.10 H new ATOM 1140 N VAL A 74 21.130 -26.864 28.327 1.00 70.53 N ATOM 1141 CA VAL A 74 21.183 -27.380 29.688 1.00 64.52 C ATOM 1142 C VAL A 74 19.782 -27.751 30.175 1.00 43.42 C ATOM 1143 O VAL A 74 19.002 -26.877 30.556 1.00 34.31 O ATOM 1144 CB VAL A 74 21.797 -26.353 30.674 1.00 54.13 C ATOM 1145 CG1 VAL A 74 21.845 -26.919 32.087 1.00 11.41 C ATOM 1146 CG2 VAL A 74 23.187 -25.923 30.227 1.00 43.31 C ATOM 0 H VAL A 74 20.374 -26.198 28.165 1.00 70.53 H new ATOM 0 HA VAL A 74 21.819 -28.265 29.665 1.00 64.52 H new ATOM 0 HB VAL A 74 21.154 -25.473 30.676 1.00 54.13 H new ATOM 0 HG11 VAL A 74 22.280 -26.180 32.760 1.00 11.41 H new ATOM 0 HG12 VAL A 74 20.835 -27.160 32.417 1.00 11.41 H new ATOM 0 HG13 VAL A 74 22.455 -27.822 32.097 1.00 11.41 H new ATOM 0 HG21 VAL A 74 23.591 -25.203 30.938 1.00 43.31 H new ATOM 0 HG22 VAL A 74 23.840 -26.794 30.182 1.00 43.31 H new ATOM 0 HG23 VAL A 74 23.126 -25.464 29.240 1.00 43.31 H new ATOM 1156 N ARG A 75 19.477 -29.044 30.133 1.00 64.45 N ATOM 1157 CA ARG A 75 18.214 -29.586 30.635 1.00 54.13 C ATOM 1158 C ARG A 75 18.197 -31.094 30.447 1.00 45.21 C ATOM 1159 O ARG A 75 18.563 -31.813 31.393 1.00 37.22 O ATOM 1160 CB ARG A 75 17.000 -28.950 29.942 1.00 55.34 C ATOM 1161 CG ARG A 75 15.679 -29.616 30.301 1.00 43.51 C ATOM 1162 CD ARG A 75 14.519 -28.634 30.245 1.00 51.22 C ATOM 1163 NE ARG A 75 14.593 -27.656 31.331 1.00 74.41 N ATOM 1164 CZ ARG A 75 13.550 -26.978 31.808 1.00 23.14 C ATOM 1165 NH1 ARG A 75 12.357 -27.076 31.232 1.00 33.54 N1+ ATOM 1166 NH2 ARG A 75 13.709 -26.183 32.857 1.00 4.05 N ATOM 1167 OXT ARG A 75 17.859 -31.554 29.339 1.00 37.22 O ATOM 0 H ARG A 75 20.102 -29.752 29.748 1.00 64.45 H new ATOM 0 HA ARG A 75 18.143 -29.346 31.696 1.00 54.13 H new ATOM 0 HB2 ARG A 75 16.950 -27.895 30.210 1.00 55.34 H new ATOM 0 HB3 ARG A 75 17.141 -28.999 28.862 1.00 55.34 H new ATOM 0 HG2 ARG A 75 15.490 -30.442 29.615 1.00 43.51 H new ATOM 0 HG3 ARG A 75 15.747 -30.042 31.302 1.00 43.51 H new ATOM 0 HD2 ARG A 75 14.525 -28.116 29.286 1.00 51.22 H new ATOM 0 HD3 ARG A 75 13.577 -29.178 30.307 1.00 51.22 H new ATOM 0 HE ARG A 75 15.506 -27.481 31.752 1.00 74.41 H new ATOM 0 HH11 ARG A 75 12.232 -27.675 30.416 1.00 33.54 H new ATOM 0 HH12 ARG A 75 11.566 -26.552 31.606 1.00 33.54 H new ATOM 0 HH21 ARG A 75 14.626 -26.093 33.294 1.00 4.05 H new ATOM 0 HH22 ARG A 75 12.914 -25.661 33.227 1.00 4.05 H new