USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 679 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 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 69 ASN : amide:sc= -0.2 K(o=-0.2,f=-2.5!) USER MOD Set 2.1: A 36 THR OG1 : rot -137:sc= -0.969 USER MOD Set 2.2: A 43 GLN : amide:sc= -4.61! C(o=-9!,f=-13!) USER MOD Set 2.3: A 74 MET CE :methyl 158:sc= -3.42 (180deg=-1.99) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 152:sc= 0.411 (180deg=0.116) USER MOD Single : A 8 LYS NZ :NH3+ 164:sc= -0.0635 (180deg=-0.47) USER MOD Single : A 12 GLN : amide:sc= -0.0748 K(o=-0.075,f=-0.74) USER MOD Single : A 14 TYR OH : rot 30:sc=-0.00531 USER MOD Single : A 15 SER OG : rot 180:sc= 0.0418 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= -1.46! USER MOD Single : A 29 LYS NZ :NH3+ 148:sc= -2.91! (180deg=-4.21!) USER MOD Single : A 30 GLN : amide:sc= -0.479 K(o=-0.48,f=-2.8) USER MOD Single : A 33 LYS NZ :NH3+ -153:sc= 0.276 (180deg=-0.565!) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 149:sc= -0.0933 (180deg=-1.32) USER MOD Single : A 51 LYS NZ :NH3+ 160:sc=-0.00411 (180deg=-0.565) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN :FLIP amide:sc= -0.254 F(o=-2.6,f=-0.25) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 155:sc= 0.442 (180deg=-0.821!) USER MOD Single : A 70 THR OG1 : rot -170:sc= -0.0227 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0.045 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.727 0.167 -0.224 1.00 0.00 N ATOM 2 CA MET A 1 2.925 0.119 -1.668 1.00 0.00 C ATOM 3 C MET A 1 3.263 -1.296 -2.124 1.00 0.00 C ATOM 4 O MET A 1 4.076 -1.981 -1.505 1.00 0.00 O ATOM 5 CB MET A 1 4.040 1.081 -2.084 1.00 0.00 C ATOM 6 CG MET A 1 3.601 2.536 -2.130 1.00 0.00 C ATOM 7 SD MET A 1 3.759 3.360 -0.535 1.00 0.00 S ATOM 8 CE MET A 1 4.996 4.599 -0.914 1.00 0.00 C ATOM 0 H1 MET A 1 2.967 1.116 0.128 1.00 0.00 H new ATOM 0 H2 MET A 1 1.733 -0.043 -0.003 1.00 0.00 H new ATOM 0 H3 MET A 1 3.340 -0.538 0.234 1.00 0.00 H new ATOM 0 HA MET A 1 1.994 0.424 -2.147 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.872 0.983 -1.387 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.411 0.791 -3.067 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.198 3.068 -2.870 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.564 2.588 -2.460 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.202 5.192 -0.023 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.912 4.109 -1.244 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.627 5.251 -1.706 1.00 0.00 H new ATOM 18 N ALA A 2 2.632 -1.729 -3.211 1.00 0.00 N ATOM 19 CA ALA A 2 2.867 -3.063 -3.751 1.00 0.00 C ATOM 20 C ALA A 2 4.316 -3.226 -4.198 1.00 0.00 C ATOM 21 O ALA A 2 4.800 -2.485 -5.055 1.00 0.00 O ATOM 22 CB ALA A 2 1.921 -3.338 -4.910 1.00 0.00 C ATOM 0 H ALA A 2 1.954 -1.175 -3.735 1.00 0.00 H new ATOM 0 HA ALA A 2 2.674 -3.788 -2.960 1.00 0.00 H new ATOM 0 HB1 ALA A 2 2.108 -4.337 -5.303 1.00 0.00 H new ATOM 0 HB2 ALA A 2 0.890 -3.272 -4.562 1.00 0.00 H new ATOM 0 HB3 ALA A 2 2.086 -2.602 -5.697 1.00 0.00 H new ATOM 28 N LEU A 3 5.005 -4.200 -3.612 1.00 0.00 N ATOM 29 CA LEU A 3 6.400 -4.460 -3.950 1.00 0.00 C ATOM 30 C LEU A 3 6.509 -5.544 -5.017 1.00 0.00 C ATOM 31 O LEU A 3 6.131 -6.697 -4.807 1.00 0.00 O ATOM 32 CB LEU A 3 7.178 -4.879 -2.701 1.00 0.00 C ATOM 33 CG LEU A 3 7.883 -3.755 -1.941 1.00 0.00 C ATOM 34 CD1 LEU A 3 8.665 -4.315 -0.763 1.00 0.00 C ATOM 35 CD2 LEU A 3 8.802 -2.977 -2.872 1.00 0.00 C ATOM 0 H LEU A 3 4.620 -4.822 -2.901 1.00 0.00 H new ATOM 0 HA LEU A 3 6.829 -3.540 -4.347 1.00 0.00 H new ATOM 0 HB2 LEU A 3 6.489 -5.376 -2.018 1.00 0.00 H new ATOM 0 HB3 LEU A 3 7.925 -5.617 -2.993 1.00 0.00 H new ATOM 0 HG LEU A 3 7.126 -3.072 -1.556 1.00 0.00 H new ATOM 0 HD11 LEU A 3 9.160 -3.500 -0.234 1.00 0.00 H new ATOM 0 HD12 LEU A 3 7.983 -4.827 -0.084 1.00 0.00 H new ATOM 0 HD13 LEU A 3 9.413 -5.020 -1.125 1.00 0.00 H new ATOM 0 HD21 LEU A 3 9.296 -2.181 -2.314 1.00 0.00 H new ATOM 0 HD22 LEU A 3 9.553 -3.649 -3.287 1.00 0.00 H new ATOM 0 HD23 LEU A 3 8.216 -2.543 -3.682 1.00 0.00 H new ATOM 47 N PRO A 4 7.039 -5.168 -6.191 1.00 0.00 N ATOM 48 CA PRO A 4 7.212 -6.094 -7.314 1.00 0.00 C ATOM 49 C PRO A 4 8.295 -7.133 -7.046 1.00 0.00 C ATOM 50 O PRO A 4 9.194 -6.912 -6.234 1.00 0.00 O ATOM 51 CB PRO A 4 7.624 -5.177 -8.469 1.00 0.00 C ATOM 52 CG PRO A 4 8.245 -3.994 -7.810 1.00 0.00 C ATOM 53 CD PRO A 4 7.510 -3.810 -6.511 1.00 0.00 C ATOM 0 HA PRO A 4 6.308 -6.670 -7.511 1.00 0.00 H new ATOM 0 HB2 PRO A 4 8.328 -5.673 -9.137 1.00 0.00 H new ATOM 0 HB3 PRO A 4 6.763 -4.888 -9.072 1.00 0.00 H new ATOM 0 HG2 PRO A 4 9.309 -4.158 -7.637 1.00 0.00 H new ATOM 0 HG3 PRO A 4 8.157 -3.107 -8.437 1.00 0.00 H new ATOM 0 HD2 PRO A 4 8.163 -3.417 -5.732 1.00 0.00 H new ATOM 0 HD3 PRO A 4 6.680 -3.111 -6.614 1.00 0.00 H new ATOM 61 N ILE A 5 8.204 -8.267 -7.734 1.00 0.00 N ATOM 62 CA ILE A 5 9.178 -9.339 -7.571 1.00 0.00 C ATOM 63 C ILE A 5 9.387 -10.095 -8.878 1.00 0.00 C ATOM 64 O ILE A 5 8.426 -10.511 -9.527 1.00 0.00 O ATOM 65 CB ILE A 5 8.742 -10.334 -6.479 1.00 0.00 C ATOM 66 CG1 ILE A 5 9.025 -9.757 -5.090 1.00 0.00 C ATOM 67 CG2 ILE A 5 9.455 -11.666 -6.661 1.00 0.00 C ATOM 68 CD1 ILE A 5 9.741 -10.721 -4.170 1.00 0.00 C ATOM 0 H ILE A 5 7.466 -8.467 -8.409 1.00 0.00 H new ATOM 0 HA ILE A 5 10.116 -8.871 -7.271 1.00 0.00 H new ATOM 0 HB ILE A 5 7.669 -10.503 -6.570 1.00 0.00 H new ATOM 0 HG12 ILE A 5 9.626 -8.854 -5.196 1.00 0.00 H new ATOM 0 HG13 ILE A 5 8.083 -9.460 -4.630 1.00 0.00 H new ATOM 0 HG21 ILE A 5 9.137 -12.359 -5.882 1.00 0.00 H new ATOM 0 HG22 ILE A 5 9.208 -12.081 -7.638 1.00 0.00 H new ATOM 0 HG23 ILE A 5 10.532 -11.514 -6.593 1.00 0.00 H new ATOM 0 HD11 ILE A 5 9.909 -10.245 -3.204 1.00 0.00 H new ATOM 0 HD12 ILE A 5 9.132 -11.614 -4.034 1.00 0.00 H new ATOM 0 HD13 ILE A 5 10.699 -10.999 -4.609 1.00 0.00 H new ATOM 80 N ILE A 6 10.648 -10.272 -9.258 1.00 0.00 N ATOM 81 CA ILE A 6 10.983 -10.981 -10.487 1.00 0.00 C ATOM 82 C ILE A 6 11.292 -12.448 -10.208 1.00 0.00 C ATOM 83 O ILE A 6 11.997 -12.775 -9.253 1.00 0.00 O ATOM 84 CB ILE A 6 12.190 -10.340 -11.196 1.00 0.00 C ATOM 85 CG1 ILE A 6 11.804 -8.978 -11.777 1.00 0.00 C ATOM 86 CG2 ILE A 6 12.712 -11.260 -12.289 1.00 0.00 C ATOM 87 CD1 ILE A 6 12.942 -7.981 -11.788 1.00 0.00 C ATOM 0 H ILE A 6 11.454 -9.934 -8.733 1.00 0.00 H new ATOM 0 HA ILE A 6 10.112 -10.913 -11.138 1.00 0.00 H new ATOM 0 HB ILE A 6 12.984 -10.190 -10.465 1.00 0.00 H new ATOM 0 HG12 ILE A 6 11.443 -9.116 -12.796 1.00 0.00 H new ATOM 0 HG13 ILE A 6 10.977 -8.567 -11.199 1.00 0.00 H new ATOM 0 HG21 ILE A 6 13.565 -10.793 -12.781 1.00 0.00 H new ATOM 0 HG22 ILE A 6 13.021 -12.208 -11.849 1.00 0.00 H new ATOM 0 HG23 ILE A 6 11.924 -11.439 -13.021 1.00 0.00 H new ATOM 0 HD11 ILE A 6 12.596 -7.039 -12.213 1.00 0.00 H new ATOM 0 HD12 ILE A 6 13.289 -7.814 -10.768 1.00 0.00 H new ATOM 0 HD13 ILE A 6 13.762 -8.371 -12.391 1.00 0.00 H new ATOM 99 N VAL A 7 10.760 -13.329 -11.049 1.00 0.00 N ATOM 100 CA VAL A 7 10.981 -14.762 -10.895 1.00 0.00 C ATOM 101 C VAL A 7 11.706 -15.339 -12.106 1.00 0.00 C ATOM 102 O VAL A 7 11.452 -14.943 -13.243 1.00 0.00 O ATOM 103 CB VAL A 7 9.652 -15.517 -10.699 1.00 0.00 C ATOM 104 CG1 VAL A 7 8.975 -15.764 -12.038 1.00 0.00 C ATOM 105 CG2 VAL A 7 9.888 -16.827 -9.962 1.00 0.00 C ATOM 0 H VAL A 7 10.173 -13.076 -11.844 1.00 0.00 H new ATOM 0 HA VAL A 7 11.600 -14.893 -10.007 1.00 0.00 H new ATOM 0 HB VAL A 7 8.989 -14.899 -10.093 1.00 0.00 H new ATOM 0 HG11 VAL A 7 8.038 -16.298 -11.879 1.00 0.00 H new ATOM 0 HG12 VAL A 7 8.771 -14.810 -12.524 1.00 0.00 H new ATOM 0 HG13 VAL A 7 9.630 -16.361 -12.672 1.00 0.00 H new ATOM 0 HG21 VAL A 7 8.939 -17.347 -9.832 1.00 0.00 H new ATOM 0 HG22 VAL A 7 10.569 -17.452 -10.540 1.00 0.00 H new ATOM 0 HG23 VAL A 7 10.326 -16.621 -8.985 1.00 0.00 H new ATOM 115 N LYS A 8 12.611 -16.279 -11.854 1.00 0.00 N ATOM 116 CA LYS A 8 13.373 -16.914 -12.922 1.00 0.00 C ATOM 117 C LYS A 8 13.147 -18.423 -12.929 1.00 0.00 C ATOM 118 O LYS A 8 13.444 -19.109 -11.951 1.00 0.00 O ATOM 119 CB LYS A 8 14.865 -16.612 -12.761 1.00 0.00 C ATOM 120 CG LYS A 8 15.587 -16.392 -14.079 1.00 0.00 C ATOM 121 CD LYS A 8 16.822 -15.525 -13.900 1.00 0.00 C ATOM 122 CE LYS A 8 16.463 -14.048 -13.845 1.00 0.00 C ATOM 123 NZ LYS A 8 17.532 -13.196 -14.436 1.00 0.00 N ATOM 0 H LYS A 8 12.834 -16.618 -10.918 1.00 0.00 H new ATOM 0 HA LYS A 8 13.027 -16.508 -13.872 1.00 0.00 H new ATOM 0 HB2 LYS A 8 14.982 -15.724 -12.140 1.00 0.00 H new ATOM 0 HB3 LYS A 8 15.339 -17.438 -12.230 1.00 0.00 H new ATOM 0 HG2 LYS A 8 15.875 -17.354 -14.502 1.00 0.00 H new ATOM 0 HG3 LYS A 8 14.910 -15.920 -14.791 1.00 0.00 H new ATOM 0 HD2 LYS A 8 17.338 -15.810 -12.983 1.00 0.00 H new ATOM 0 HD3 LYS A 8 17.514 -15.702 -14.723 1.00 0.00 H new ATOM 0 HE2 LYS A 8 15.528 -13.881 -14.380 1.00 0.00 H new ATOM 0 HE3 LYS A 8 16.295 -13.753 -12.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 17.152 -12.247 -14.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 18.326 -13.122 -13.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 17.865 -13.623 -15.324 1.00 0.00 H new ATOM 137 N TRP A 9 12.622 -18.932 -14.038 1.00 0.00 N ATOM 138 CA TRP A 9 12.358 -20.360 -14.172 1.00 0.00 C ATOM 139 C TRP A 9 12.558 -20.817 -15.613 1.00 0.00 C ATOM 140 O TRP A 9 11.977 -20.254 -16.539 1.00 0.00 O ATOM 141 CB TRP A 9 10.935 -20.681 -13.714 1.00 0.00 C ATOM 142 CG TRP A 9 10.540 -22.107 -13.958 1.00 0.00 C ATOM 143 CD1 TRP A 9 9.390 -22.550 -14.546 1.00 0.00 C ATOM 144 CD2 TRP A 9 11.295 -23.275 -13.618 1.00 0.00 C ATOM 145 NE1 TRP A 9 9.384 -23.923 -14.592 1.00 0.00 N ATOM 146 CE2 TRP A 9 10.542 -24.392 -14.030 1.00 0.00 C ATOM 147 CE3 TRP A 9 12.534 -23.486 -13.008 1.00 0.00 C ATOM 148 CZ2 TRP A 9 10.988 -25.698 -13.849 1.00 0.00 C ATOM 149 CZ3 TRP A 9 12.976 -24.783 -12.829 1.00 0.00 C ATOM 150 CH2 TRP A 9 12.205 -25.876 -13.249 1.00 0.00 C ATOM 0 H TRP A 9 12.371 -18.378 -14.857 1.00 0.00 H new ATOM 0 HA TRP A 9 13.065 -20.897 -13.539 1.00 0.00 H new ATOM 0 HB2 TRP A 9 10.846 -20.464 -12.650 1.00 0.00 H new ATOM 0 HB3 TRP A 9 10.237 -20.024 -14.233 1.00 0.00 H new ATOM 0 HD1 TRP A 9 8.601 -21.914 -14.920 1.00 0.00 H new ATOM 0 HE1 TRP A 9 8.638 -24.500 -14.981 1.00 0.00 H new ATOM 0 HE3 TRP A 9 13.136 -22.650 -12.682 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 10.395 -26.541 -14.171 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 13.932 -24.958 -12.357 1.00 0.00 H new ATOM 0 HH2 TRP A 9 12.579 -26.878 -13.096 1.00 0.00 H new ATOM 161 N GLY A 10 13.384 -21.844 -15.794 1.00 0.00 N ATOM 162 CA GLY A 10 13.645 -22.359 -17.126 1.00 0.00 C ATOM 163 C GLY A 10 14.184 -21.297 -18.063 1.00 0.00 C ATOM 164 O GLY A 10 14.024 -21.392 -19.279 1.00 0.00 O ATOM 0 H GLY A 10 13.876 -22.328 -15.043 1.00 0.00 H new ATOM 0 HA2 GLY A 10 14.360 -23.179 -17.061 1.00 0.00 H new ATOM 0 HA3 GLY A 10 12.724 -22.771 -17.540 1.00 0.00 H new ATOM 168 N GLY A 11 14.825 -20.279 -17.496 1.00 0.00 N ATOM 169 CA GLY A 11 15.378 -19.208 -18.304 1.00 0.00 C ATOM 170 C GLY A 11 14.372 -18.107 -18.574 1.00 0.00 C ATOM 171 O GLY A 11 14.698 -17.102 -19.205 1.00 0.00 O ATOM 0 H GLY A 11 14.971 -20.177 -16.492 1.00 0.00 H new ATOM 0 HA2 GLY A 11 16.246 -18.786 -17.798 1.00 0.00 H new ATOM 0 HA3 GLY A 11 15.729 -19.616 -19.252 1.00 0.00 H new ATOM 175 N GLN A 12 13.146 -18.297 -18.097 1.00 0.00 N ATOM 176 CA GLN A 12 12.089 -17.312 -18.293 1.00 0.00 C ATOM 177 C GLN A 12 12.108 -16.265 -17.183 1.00 0.00 C ATOM 178 O GLN A 12 12.679 -16.489 -16.117 1.00 0.00 O ATOM 179 CB GLN A 12 10.724 -18.000 -18.339 1.00 0.00 C ATOM 180 CG GLN A 12 10.624 -19.083 -19.400 1.00 0.00 C ATOM 181 CD GLN A 12 10.948 -18.570 -20.790 1.00 0.00 C ATOM 182 OE1 GLN A 12 10.685 -17.411 -21.113 1.00 0.00 O ATOM 183 NE2 GLN A 12 11.522 -19.432 -21.621 1.00 0.00 N ATOM 0 H GLN A 12 12.860 -19.124 -17.572 1.00 0.00 H new ATOM 0 HA GLN A 12 12.266 -16.810 -19.244 1.00 0.00 H new ATOM 0 HB2 GLN A 12 10.514 -18.438 -17.363 1.00 0.00 H new ATOM 0 HB3 GLN A 12 9.955 -17.250 -18.523 1.00 0.00 H new ATOM 0 HG2 GLN A 12 11.305 -19.896 -19.149 1.00 0.00 H new ATOM 0 HG3 GLN A 12 9.616 -19.498 -19.396 1.00 0.00 H new ATOM 0 HE21 GLN A 12 11.722 -20.383 -21.311 1.00 0.00 H new ATOM 0 HE22 GLN A 12 11.763 -19.143 -22.569 1.00 0.00 H new ATOM 192 N GLU A 13 11.479 -15.123 -17.443 1.00 0.00 N ATOM 193 CA GLU A 13 11.425 -14.042 -16.466 1.00 0.00 C ATOM 194 C GLU A 13 10.002 -13.512 -16.320 1.00 0.00 C ATOM 195 O GLU A 13 9.357 -13.154 -17.306 1.00 0.00 O ATOM 196 CB GLU A 13 12.365 -12.907 -16.876 1.00 0.00 C ATOM 197 CG GLU A 13 13.272 -12.433 -15.753 1.00 0.00 C ATOM 198 CD GLU A 13 13.790 -11.025 -15.977 1.00 0.00 C ATOM 199 OE1 GLU A 13 13.120 -10.069 -15.535 1.00 0.00 O ATOM 200 OE2 GLU A 13 14.867 -10.881 -16.593 1.00 0.00 O ATOM 0 H GLU A 13 11.000 -14.923 -18.321 1.00 0.00 H new ATOM 0 HA GLU A 13 11.746 -14.440 -15.503 1.00 0.00 H new ATOM 0 HB2 GLU A 13 12.980 -13.240 -17.712 1.00 0.00 H new ATOM 0 HB3 GLU A 13 11.771 -12.065 -17.232 1.00 0.00 H new ATOM 0 HG2 GLU A 13 12.726 -12.470 -14.810 1.00 0.00 H new ATOM 0 HG3 GLU A 13 14.116 -13.116 -15.660 1.00 0.00 H new ATOM 207 N TYR A 14 9.518 -13.464 -15.084 1.00 0.00 N ATOM 208 CA TYR A 14 8.171 -12.980 -14.808 1.00 0.00 C ATOM 209 C TYR A 14 8.145 -12.132 -13.540 1.00 0.00 C ATOM 210 O TYR A 14 8.524 -12.593 -12.463 1.00 0.00 O ATOM 211 CB TYR A 14 7.203 -14.156 -14.668 1.00 0.00 C ATOM 212 CG TYR A 14 7.289 -15.150 -15.804 1.00 0.00 C ATOM 213 CD1 TYR A 14 6.666 -14.900 -17.021 1.00 0.00 C ATOM 214 CD2 TYR A 14 7.995 -16.338 -15.661 1.00 0.00 C ATOM 215 CE1 TYR A 14 6.742 -15.806 -18.061 1.00 0.00 C ATOM 216 CE2 TYR A 14 8.078 -17.249 -16.697 1.00 0.00 C ATOM 217 CZ TYR A 14 7.449 -16.979 -17.894 1.00 0.00 C ATOM 218 OH TYR A 14 7.528 -17.883 -18.929 1.00 0.00 O ATOM 0 H TYR A 14 10.039 -13.755 -14.257 1.00 0.00 H new ATOM 0 HA TYR A 14 7.858 -12.357 -15.646 1.00 0.00 H new ATOM 0 HB2 TYR A 14 7.405 -14.672 -13.729 1.00 0.00 H new ATOM 0 HB3 TYR A 14 6.185 -13.772 -14.609 1.00 0.00 H new ATOM 0 HD1 TYR A 14 6.113 -13.982 -17.156 1.00 0.00 H new ATOM 0 HD2 TYR A 14 8.487 -16.553 -14.724 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.251 -15.597 -19.000 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.632 -18.167 -16.570 1.00 0.00 H new ATOM 0 HH TYR A 14 7.482 -17.406 -19.784 1.00 0.00 H new ATOM 228 N SER A 15 7.695 -10.889 -13.676 1.00 0.00 N ATOM 229 CA SER A 15 7.623 -9.974 -12.543 1.00 0.00 C ATOM 230 C SER A 15 6.215 -9.948 -11.955 1.00 0.00 C ATOM 231 O SER A 15 5.234 -10.212 -12.651 1.00 0.00 O ATOM 232 CB SER A 15 8.034 -8.564 -12.972 1.00 0.00 C ATOM 233 OG SER A 15 7.651 -8.306 -14.311 1.00 0.00 O ATOM 0 H SER A 15 7.375 -10.492 -14.559 1.00 0.00 H new ATOM 0 HA SER A 15 8.312 -10.329 -11.777 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.573 -7.830 -12.311 1.00 0.00 H new ATOM 0 HB3 SER A 15 9.113 -8.450 -12.871 1.00 0.00 H new ATOM 0 HG SER A 15 7.923 -7.398 -14.560 1.00 0.00 H new ATOM 239 N VAL A 16 6.124 -9.629 -10.668 1.00 0.00 N ATOM 240 CA VAL A 16 4.837 -9.568 -9.985 1.00 0.00 C ATOM 241 C VAL A 16 4.426 -8.124 -9.716 1.00 0.00 C ATOM 242 O VAL A 16 5.271 -7.256 -9.498 1.00 0.00 O ATOM 243 CB VAL A 16 4.873 -10.336 -8.650 1.00 0.00 C ATOM 244 CG1 VAL A 16 4.910 -9.369 -7.477 1.00 0.00 C ATOM 245 CG2 VAL A 16 3.679 -11.272 -8.543 1.00 0.00 C ATOM 0 H VAL A 16 6.926 -9.409 -10.077 1.00 0.00 H new ATOM 0 HA VAL A 16 4.106 -10.035 -10.645 1.00 0.00 H new ATOM 0 HB VAL A 16 5.782 -10.937 -8.621 1.00 0.00 H new ATOM 0 HG11 VAL A 16 4.935 -9.931 -6.543 1.00 0.00 H new ATOM 0 HG12 VAL A 16 5.800 -8.744 -7.549 1.00 0.00 H new ATOM 0 HG13 VAL A 16 4.021 -8.738 -7.497 1.00 0.00 H new ATOM 0 HG21 VAL A 16 3.720 -11.807 -7.594 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.757 -10.693 -8.594 1.00 0.00 H new ATOM 0 HG23 VAL A 16 3.703 -11.988 -9.364 1.00 0.00 H new ATOM 255 N THR A 17 3.121 -7.874 -9.733 1.00 0.00 N ATOM 256 CA THR A 17 2.596 -6.536 -9.492 1.00 0.00 C ATOM 257 C THR A 17 1.190 -6.594 -8.906 1.00 0.00 C ATOM 258 O THR A 17 0.261 -5.978 -9.430 1.00 0.00 O ATOM 259 CB THR A 17 2.566 -5.702 -10.787 1.00 0.00 C ATOM 260 OG1 THR A 17 1.953 -6.455 -11.840 1.00 0.00 O ATOM 261 CG2 THR A 17 3.972 -5.294 -11.200 1.00 0.00 C ATOM 0 H THR A 17 2.408 -8.581 -9.911 1.00 0.00 H new ATOM 0 HA THR A 17 3.266 -6.059 -8.777 1.00 0.00 H new ATOM 0 HB THR A 17 1.984 -4.800 -10.599 1.00 0.00 H new ATOM 0 HG1 THR A 17 1.936 -5.918 -12.659 1.00 0.00 H new ATOM 0 HG21 THR A 17 3.926 -4.706 -12.117 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.425 -4.697 -10.408 1.00 0.00 H new ATOM 0 HG23 THR A 17 4.574 -6.186 -11.371 1.00 0.00 H new ATOM 269 N THR A 18 1.039 -7.338 -7.815 1.00 0.00 N ATOM 270 CA THR A 18 -0.255 -7.477 -7.158 1.00 0.00 C ATOM 271 C THR A 18 -0.117 -7.367 -5.643 1.00 0.00 C ATOM 272 O THR A 18 -0.957 -6.764 -4.975 1.00 0.00 O ATOM 273 CB THR A 18 -0.920 -8.822 -7.505 1.00 0.00 C ATOM 274 OG1 THR A 18 -1.875 -9.171 -6.497 1.00 0.00 O ATOM 275 CG2 THR A 18 0.121 -9.925 -7.628 1.00 0.00 C ATOM 0 H THR A 18 1.797 -7.854 -7.368 1.00 0.00 H new ATOM 0 HA THR A 18 -0.884 -6.665 -7.523 1.00 0.00 H new ATOM 0 HB THR A 18 -1.427 -8.714 -8.464 1.00 0.00 H new ATOM 0 HG1 THR A 18 -2.294 -10.027 -6.726 1.00 0.00 H new ATOM 0 HG21 THR A 18 -0.373 -10.865 -7.873 1.00 0.00 H new ATOM 0 HG22 THR A 18 0.829 -9.670 -8.416 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.653 -10.030 -6.682 1.00 0.00 H new ATOM 283 N LEU A 19 0.948 -7.953 -5.107 1.00 0.00 N ATOM 284 CA LEU A 19 1.197 -7.921 -3.670 1.00 0.00 C ATOM 285 C LEU A 19 2.591 -7.379 -3.371 1.00 0.00 C ATOM 286 O LEU A 19 3.269 -6.859 -4.258 1.00 0.00 O ATOM 287 CB LEU A 19 1.043 -9.321 -3.074 1.00 0.00 C ATOM 288 CG LEU A 19 2.101 -10.346 -3.486 1.00 0.00 C ATOM 289 CD1 LEU A 19 2.334 -11.350 -2.368 1.00 0.00 C ATOM 290 CD2 LEU A 19 1.685 -11.056 -4.766 1.00 0.00 C ATOM 0 H LEU A 19 1.653 -8.456 -5.646 1.00 0.00 H new ATOM 0 HA LEU A 19 0.463 -7.256 -3.214 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.053 -9.235 -1.987 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.063 -9.708 -3.354 1.00 0.00 H new ATOM 0 HG LEU A 19 3.037 -9.820 -3.674 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.090 -12.072 -2.679 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.677 -10.827 -1.475 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.403 -11.872 -2.148 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.449 -11.782 -5.044 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.738 -11.570 -4.605 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.570 -10.325 -5.566 1.00 0.00 H new ATOM 302 N SER A 20 3.013 -7.505 -2.117 1.00 0.00 N ATOM 303 CA SER A 20 4.326 -7.026 -1.701 1.00 0.00 C ATOM 304 C SER A 20 5.151 -8.159 -1.098 1.00 0.00 C ATOM 305 O SER A 20 4.605 -9.159 -0.632 1.00 0.00 O ATOM 306 CB SER A 20 4.180 -5.891 -0.686 1.00 0.00 C ATOM 307 OG SER A 20 2.825 -5.498 -0.551 1.00 0.00 O ATOM 0 H SER A 20 2.465 -7.935 -1.372 1.00 0.00 H new ATOM 0 HA SER A 20 4.845 -6.651 -2.583 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.567 -6.212 0.281 1.00 0.00 H new ATOM 0 HB3 SER A 20 4.780 -5.037 -1.002 1.00 0.00 H new ATOM 0 HG SER A 20 2.759 -4.773 0.105 1.00 0.00 H new ATOM 313 N GLU A 21 6.470 -7.995 -1.113 1.00 0.00 N ATOM 314 CA GLU A 21 7.371 -9.004 -0.569 1.00 0.00 C ATOM 315 C GLU A 21 7.085 -9.249 0.910 1.00 0.00 C ATOM 316 O GLU A 21 7.377 -10.321 1.440 1.00 0.00 O ATOM 317 CB GLU A 21 8.828 -8.572 -0.753 1.00 0.00 C ATOM 318 CG GLU A 21 9.309 -7.588 0.300 1.00 0.00 C ATOM 319 CD GLU A 21 10.762 -7.198 0.113 1.00 0.00 C ATOM 320 OE1 GLU A 21 11.480 -7.918 -0.612 1.00 0.00 O ATOM 321 OE2 GLU A 21 11.181 -6.174 0.692 1.00 0.00 O ATOM 0 H GLU A 21 6.938 -7.174 -1.496 1.00 0.00 H new ATOM 0 HA GLU A 21 7.204 -9.934 -1.113 1.00 0.00 H new ATOM 0 HB2 GLU A 21 9.466 -9.456 -0.731 1.00 0.00 H new ATOM 0 HB3 GLU A 21 8.943 -8.121 -1.739 1.00 0.00 H new ATOM 0 HG2 GLU A 21 8.689 -6.692 0.265 1.00 0.00 H new ATOM 0 HG3 GLU A 21 9.179 -8.027 1.289 1.00 0.00 H new ATOM 328 N ASP A 22 6.513 -8.248 1.569 1.00 0.00 N ATOM 329 CA ASP A 22 6.187 -8.353 2.986 1.00 0.00 C ATOM 330 C ASP A 22 4.842 -9.045 3.184 1.00 0.00 C ATOM 331 O ASP A 22 4.330 -9.122 4.302 1.00 0.00 O ATOM 332 CB ASP A 22 6.160 -6.966 3.630 1.00 0.00 C ATOM 333 CG ASP A 22 5.123 -6.056 3.001 1.00 0.00 C ATOM 334 OD1 ASP A 22 3.923 -6.226 3.301 1.00 0.00 O ATOM 335 OD2 ASP A 22 5.513 -5.172 2.209 1.00 0.00 O ATOM 0 H ASP A 22 6.265 -7.354 1.144 1.00 0.00 H new ATOM 0 HA ASP A 22 6.959 -8.953 3.467 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.952 -7.067 4.695 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.145 -6.507 3.539 1.00 0.00 H new ATOM 340 N ASP A 23 4.274 -9.546 2.093 1.00 0.00 N ATOM 341 CA ASP A 23 2.988 -10.232 2.146 1.00 0.00 C ATOM 342 C ASP A 23 3.163 -11.682 2.585 1.00 0.00 C ATOM 343 O ASP A 23 2.845 -12.043 3.719 1.00 0.00 O ATOM 344 CB ASP A 23 2.301 -10.179 0.781 1.00 0.00 C ATOM 345 CG ASP A 23 0.797 -10.345 0.883 1.00 0.00 C ATOM 346 OD1 ASP A 23 0.341 -11.076 1.787 1.00 0.00 O ATOM 347 OD2 ASP A 23 0.077 -9.744 0.059 1.00 0.00 O ATOM 0 H ASP A 23 4.684 -9.490 1.161 1.00 0.00 H new ATOM 0 HA ASP A 23 2.363 -9.722 2.879 1.00 0.00 H new ATOM 0 HB2 ASP A 23 2.527 -9.227 0.301 1.00 0.00 H new ATOM 0 HB3 ASP A 23 2.708 -10.963 0.142 1.00 0.00 H new ATOM 352 N THR A 24 3.671 -12.512 1.679 1.00 0.00 N ATOM 353 CA THR A 24 3.887 -13.924 1.971 1.00 0.00 C ATOM 354 C THR A 24 4.353 -14.677 0.731 1.00 0.00 C ATOM 355 O THR A 24 4.009 -14.314 -0.394 1.00 0.00 O ATOM 356 CB THR A 24 2.606 -14.588 2.511 1.00 0.00 C ATOM 357 OG1 THR A 24 1.473 -13.753 2.246 1.00 0.00 O ATOM 358 CG2 THR A 24 2.717 -14.842 4.006 1.00 0.00 C ATOM 0 H THR A 24 3.941 -12.230 0.736 1.00 0.00 H new ATOM 0 HA THR A 24 4.663 -13.974 2.735 1.00 0.00 H new ATOM 0 HB THR A 24 2.478 -15.545 2.005 1.00 0.00 H new ATOM 0 HG1 THR A 24 0.662 -14.182 2.591 1.00 0.00 H new ATOM 0 HG21 THR A 24 1.801 -15.311 4.364 1.00 0.00 H new ATOM 0 HG22 THR A 24 3.563 -15.501 4.201 1.00 0.00 H new ATOM 0 HG23 THR A 24 2.867 -13.896 4.526 1.00 0.00 H new ATOM 366 N VAL A 25 5.137 -15.729 0.943 1.00 0.00 N ATOM 367 CA VAL A 25 5.649 -16.536 -0.159 1.00 0.00 C ATOM 368 C VAL A 25 4.511 -17.159 -0.959 1.00 0.00 C ATOM 369 O VAL A 25 4.446 -17.018 -2.181 1.00 0.00 O ATOM 370 CB VAL A 25 6.577 -17.655 0.349 1.00 0.00 C ATOM 371 CG1 VAL A 25 6.405 -18.913 -0.489 1.00 0.00 C ATOM 372 CG2 VAL A 25 8.026 -17.191 0.337 1.00 0.00 C ATOM 0 H VAL A 25 5.432 -16.043 1.868 1.00 0.00 H new ATOM 0 HA VAL A 25 6.218 -15.866 -0.804 1.00 0.00 H new ATOM 0 HB VAL A 25 6.303 -17.892 1.377 1.00 0.00 H new ATOM 0 HG11 VAL A 25 7.069 -19.693 -0.115 1.00 0.00 H new ATOM 0 HG12 VAL A 25 5.372 -19.254 -0.425 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.651 -18.694 -1.528 1.00 0.00 H new ATOM 0 HG21 VAL A 25 8.668 -17.994 0.699 1.00 0.00 H new ATOM 0 HG22 VAL A 25 8.315 -16.926 -0.680 1.00 0.00 H new ATOM 0 HG23 VAL A 25 8.135 -16.320 0.984 1.00 0.00 H new ATOM 382 N LEU A 26 3.614 -17.848 -0.263 1.00 0.00 N ATOM 383 CA LEU A 26 2.475 -18.493 -0.908 1.00 0.00 C ATOM 384 C LEU A 26 1.619 -17.472 -1.649 1.00 0.00 C ATOM 385 O LEU A 26 0.884 -17.818 -2.575 1.00 0.00 O ATOM 386 CB LEU A 26 1.627 -19.231 0.129 1.00 0.00 C ATOM 387 CG LEU A 26 0.228 -18.665 0.377 1.00 0.00 C ATOM 388 CD1 LEU A 26 -0.752 -19.189 -0.660 1.00 0.00 C ATOM 389 CD2 LEU A 26 -0.245 -19.009 1.782 1.00 0.00 C ATOM 0 H LEU A 26 3.653 -17.975 0.748 1.00 0.00 H new ATOM 0 HA LEU A 26 2.858 -19.212 -1.632 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.526 -20.270 -0.186 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.168 -19.236 1.075 1.00 0.00 H new ATOM 0 HG LEU A 26 0.275 -17.580 0.286 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.742 -18.775 -0.467 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.422 -18.892 -1.655 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.796 -20.277 -0.602 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.242 -18.598 1.941 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.275 -20.092 1.901 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.443 -18.583 2.512 1.00 0.00 H new ATOM 401 N ASP A 27 1.720 -16.213 -1.238 1.00 0.00 N ATOM 402 CA ASP A 27 0.956 -15.140 -1.865 1.00 0.00 C ATOM 403 C ASP A 27 1.562 -14.758 -3.212 1.00 0.00 C ATOM 404 O ASP A 27 0.849 -14.601 -4.203 1.00 0.00 O ATOM 405 CB ASP A 27 0.907 -13.917 -0.948 1.00 0.00 C ATOM 406 CG ASP A 27 -0.139 -12.910 -1.382 1.00 0.00 C ATOM 407 OD1 ASP A 27 -0.258 -12.665 -2.600 1.00 0.00 O ATOM 408 OD2 ASP A 27 -0.840 -12.365 -0.502 1.00 0.00 O ATOM 0 H ASP A 27 2.323 -15.910 -0.473 1.00 0.00 H new ATOM 0 HA ASP A 27 -0.059 -15.499 -2.032 1.00 0.00 H new ATOM 0 HB2 ASP A 27 0.696 -14.239 0.072 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.886 -13.437 -0.934 1.00 0.00 H new ATOM 413 N LEU A 28 2.882 -14.608 -3.240 1.00 0.00 N ATOM 414 CA LEU A 28 3.585 -14.243 -4.465 1.00 0.00 C ATOM 415 C LEU A 28 3.820 -15.468 -5.343 1.00 0.00 C ATOM 416 O LEU A 28 3.492 -15.467 -6.530 1.00 0.00 O ATOM 417 CB LEU A 28 4.920 -13.576 -4.131 1.00 0.00 C ATOM 418 CG LEU A 28 5.419 -12.534 -5.132 1.00 0.00 C ATOM 419 CD1 LEU A 28 6.180 -11.428 -4.417 1.00 0.00 C ATOM 420 CD2 LEU A 28 6.294 -13.188 -6.192 1.00 0.00 C ATOM 0 H LEU A 28 3.487 -14.734 -2.428 1.00 0.00 H new ATOM 0 HA LEU A 28 2.962 -13.538 -5.016 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.831 -13.099 -3.155 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.678 -14.353 -4.038 1.00 0.00 H new ATOM 0 HG LEU A 28 4.555 -12.091 -5.627 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.527 -10.696 -5.146 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.522 -10.940 -3.698 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.036 -11.855 -3.895 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.640 -12.431 -6.896 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.153 -13.659 -5.715 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.716 -13.943 -6.726 1.00 0.00 H new ATOM 432 N LYS A 29 4.390 -16.512 -4.752 1.00 0.00 N ATOM 433 CA LYS A 29 4.667 -17.746 -5.478 1.00 0.00 C ATOM 434 C LYS A 29 3.431 -18.221 -6.235 1.00 0.00 C ATOM 435 O LYS A 29 3.513 -18.586 -7.408 1.00 0.00 O ATOM 436 CB LYS A 29 5.137 -18.836 -4.512 1.00 0.00 C ATOM 437 CG LYS A 29 6.648 -18.932 -4.391 1.00 0.00 C ATOM 438 CD LYS A 29 7.232 -17.700 -3.720 1.00 0.00 C ATOM 439 CE LYS A 29 7.553 -16.612 -4.734 1.00 0.00 C ATOM 440 NZ LYS A 29 8.842 -15.932 -4.429 1.00 0.00 N ATOM 0 H LYS A 29 4.670 -16.528 -3.771 1.00 0.00 H new ATOM 0 HA LYS A 29 5.458 -17.544 -6.200 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.714 -18.643 -3.526 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.746 -19.798 -4.844 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.912 -19.820 -3.817 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.087 -19.050 -5.382 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.526 -17.316 -2.984 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.138 -17.974 -3.179 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.600 -17.048 -5.732 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.748 -15.877 -4.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.295 -15.632 -5.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.662 -15.099 -3.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 9.470 -16.589 -3.924 1.00 0.00 H new ATOM 454 N GLN A 30 2.288 -18.212 -5.558 1.00 0.00 N ATOM 455 CA GLN A 30 1.035 -18.642 -6.168 1.00 0.00 C ATOM 456 C GLN A 30 0.749 -17.849 -7.439 1.00 0.00 C ATOM 457 O GLN A 30 0.211 -18.384 -8.409 1.00 0.00 O ATOM 458 CB GLN A 30 -0.121 -18.478 -5.179 1.00 0.00 C ATOM 459 CG GLN A 30 -0.510 -17.029 -4.933 1.00 0.00 C ATOM 460 CD GLN A 30 -1.700 -16.595 -5.766 1.00 0.00 C ATOM 461 OE1 GLN A 30 -2.083 -17.271 -6.721 1.00 0.00 O ATOM 462 NE2 GLN A 30 -2.291 -15.462 -5.409 1.00 0.00 N ATOM 0 H GLN A 30 2.203 -17.912 -4.587 1.00 0.00 H new ATOM 0 HA GLN A 30 1.131 -19.695 -6.432 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -0.989 -19.020 -5.554 1.00 0.00 H new ATOM 0 HB3 GLN A 30 0.156 -18.937 -4.230 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -0.742 -16.893 -3.877 1.00 0.00 H new ATOM 0 HG3 GLN A 30 0.340 -16.385 -5.158 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -1.940 -14.933 -4.610 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -3.096 -15.120 -5.933 1.00 0.00 H new ATOM 471 N PHE A 31 1.112 -16.570 -7.427 1.00 0.00 N ATOM 472 CA PHE A 31 0.893 -15.703 -8.579 1.00 0.00 C ATOM 473 C PHE A 31 1.772 -16.125 -9.752 1.00 0.00 C ATOM 474 O PHE A 31 1.275 -16.431 -10.837 1.00 0.00 O ATOM 475 CB PHE A 31 1.181 -14.247 -8.209 1.00 0.00 C ATOM 476 CG PHE A 31 0.608 -13.257 -9.183 1.00 0.00 C ATOM 477 CD1 PHE A 31 -0.715 -12.856 -9.086 1.00 0.00 C ATOM 478 CD2 PHE A 31 1.393 -12.726 -10.194 1.00 0.00 C ATOM 479 CE1 PHE A 31 -1.244 -11.946 -9.981 1.00 0.00 C ATOM 480 CE2 PHE A 31 0.869 -11.815 -11.092 1.00 0.00 C ATOM 481 CZ PHE A 31 -0.451 -11.424 -10.984 1.00 0.00 C ATOM 0 H PHE A 31 1.559 -16.112 -6.633 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.151 -15.795 -8.879 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.776 -14.045 -7.217 1.00 0.00 H new ATOM 0 HB3 PHE A 31 2.260 -14.102 -8.148 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.339 -13.259 -8.302 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.426 -13.027 -10.281 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.277 -11.643 -9.896 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.491 -11.410 -11.877 1.00 0.00 H new ATOM 0 HZ PHE A 31 -0.863 -10.711 -11.683 1.00 0.00 H new ATOM 491 N LEU A 32 3.081 -16.138 -9.528 1.00 0.00 N ATOM 492 CA LEU A 32 4.031 -16.522 -10.566 1.00 0.00 C ATOM 493 C LEU A 32 3.828 -17.976 -10.980 1.00 0.00 C ATOM 494 O LEU A 32 4.128 -18.359 -12.111 1.00 0.00 O ATOM 495 CB LEU A 32 5.465 -16.315 -10.075 1.00 0.00 C ATOM 496 CG LEU A 32 5.804 -16.928 -8.715 1.00 0.00 C ATOM 497 CD1 LEU A 32 6.242 -18.375 -8.877 1.00 0.00 C ATOM 498 CD2 LEU A 32 6.885 -16.116 -8.019 1.00 0.00 C ATOM 0 H LEU A 32 3.509 -15.887 -8.637 1.00 0.00 H new ATOM 0 HA LEU A 32 3.856 -15.888 -11.436 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.146 -16.730 -10.818 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.660 -15.244 -10.027 1.00 0.00 H new ATOM 0 HG LEU A 32 4.908 -16.908 -8.095 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.479 -18.795 -7.900 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.436 -18.950 -9.333 1.00 0.00 H new ATOM 0 HD13 LEU A 32 7.125 -18.419 -9.515 1.00 0.00 H new ATOM 0 HD21 LEU A 32 7.113 -16.567 -7.053 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.784 -16.103 -8.635 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.533 -15.095 -7.869 1.00 0.00 H new ATOM 510 N LYS A 33 3.315 -18.782 -10.057 1.00 0.00 N ATOM 511 CA LYS A 33 3.068 -20.194 -10.325 1.00 0.00 C ATOM 512 C LYS A 33 2.115 -20.365 -11.504 1.00 0.00 C ATOM 513 O LYS A 33 2.254 -21.295 -12.298 1.00 0.00 O ATOM 514 CB LYS A 33 2.488 -20.876 -9.084 1.00 0.00 C ATOM 515 CG LYS A 33 1.219 -21.664 -9.360 1.00 0.00 C ATOM 516 CD LYS A 33 1.512 -22.942 -10.128 1.00 0.00 C ATOM 517 CE LYS A 33 0.349 -23.330 -11.028 1.00 0.00 C ATOM 518 NZ LYS A 33 0.241 -24.807 -11.187 1.00 0.00 N ATOM 0 H LYS A 33 3.062 -18.481 -9.116 1.00 0.00 H new ATOM 0 HA LYS A 33 4.019 -20.662 -10.578 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.238 -21.546 -8.664 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.278 -20.119 -8.328 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.730 -21.909 -8.417 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.523 -21.048 -9.930 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.411 -22.808 -10.730 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.716 -23.751 -9.426 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -0.579 -22.941 -10.610 1.00 0.00 H new ATOM 0 HE3 LYS A 33 0.477 -22.868 -12.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -0.210 -25.026 -12.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 1.191 -25.229 -11.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -0.334 -25.198 -10.413 1.00 0.00 H new ATOM 532 N THR A 34 1.147 -19.460 -11.613 1.00 0.00 N ATOM 533 CA THR A 34 0.172 -19.510 -12.695 1.00 0.00 C ATOM 534 C THR A 34 0.831 -19.243 -14.043 1.00 0.00 C ATOM 535 O THR A 34 0.336 -19.675 -15.084 1.00 0.00 O ATOM 536 CB THR A 34 -0.961 -18.489 -12.478 1.00 0.00 C ATOM 537 OG1 THR A 34 -2.138 -18.907 -13.178 1.00 0.00 O ATOM 538 CG2 THR A 34 -0.543 -17.108 -12.959 1.00 0.00 C ATOM 0 H THR A 34 1.018 -18.683 -10.965 1.00 0.00 H new ATOM 0 HA THR A 34 -0.250 -20.515 -12.694 1.00 0.00 H new ATOM 0 HB THR A 34 -1.173 -18.436 -11.410 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.854 -18.253 -13.034 1.00 0.00 H new ATOM 0 HG21 THR A 34 -1.359 -16.404 -12.796 1.00 0.00 H new ATOM 0 HG22 THR A 34 0.336 -16.780 -12.404 1.00 0.00 H new ATOM 0 HG23 THR A 34 -0.306 -17.149 -14.022 1.00 0.00 H new ATOM 546 N LEU A 35 1.951 -18.529 -14.016 1.00 0.00 N ATOM 547 CA LEU A 35 2.680 -18.204 -15.238 1.00 0.00 C ATOM 548 C LEU A 35 3.810 -19.200 -15.479 1.00 0.00 C ATOM 549 O LEU A 35 4.303 -19.338 -16.599 1.00 0.00 O ATOM 550 CB LEU A 35 3.246 -16.785 -15.155 1.00 0.00 C ATOM 551 CG LEU A 35 2.250 -15.686 -14.783 1.00 0.00 C ATOM 552 CD1 LEU A 35 2.915 -14.320 -14.844 1.00 0.00 C ATOM 553 CD2 LEU A 35 1.037 -15.733 -15.701 1.00 0.00 C ATOM 0 H LEU A 35 2.374 -18.164 -13.163 1.00 0.00 H new ATOM 0 HA LEU A 35 1.983 -18.263 -16.074 1.00 0.00 H new ATOM 0 HB2 LEU A 35 4.053 -16.779 -14.422 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.689 -16.535 -16.119 1.00 0.00 H new ATOM 0 HG LEU A 35 1.914 -15.858 -13.761 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.191 -13.551 -14.576 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.751 -14.291 -14.145 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.281 -14.138 -15.855 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.339 -14.944 -15.422 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.356 -15.587 -16.733 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.546 -16.702 -15.606 1.00 0.00 H new ATOM 565 N THR A 36 4.214 -19.896 -14.421 1.00 0.00 N ATOM 566 CA THR A 36 5.285 -20.881 -14.517 1.00 0.00 C ATOM 567 C THR A 36 4.724 -22.297 -14.583 1.00 0.00 C ATOM 568 O THR A 36 5.384 -23.214 -15.071 1.00 0.00 O ATOM 569 CB THR A 36 6.252 -20.778 -13.323 1.00 0.00 C ATOM 570 OG1 THR A 36 5.617 -21.267 -12.136 1.00 0.00 O ATOM 571 CG2 THR A 36 6.698 -19.340 -13.110 1.00 0.00 C ATOM 0 H THR A 36 3.816 -19.796 -13.487 1.00 0.00 H new ATOM 0 HA THR A 36 5.831 -20.666 -15.436 1.00 0.00 H new ATOM 0 HB THR A 36 7.131 -21.385 -13.542 1.00 0.00 H new ATOM 0 HG1 THR A 36 5.819 -20.668 -11.387 1.00 0.00 H new ATOM 0 HG21 THR A 36 7.380 -19.293 -12.261 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.206 -18.980 -14.005 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.828 -18.715 -12.911 1.00 0.00 H new ATOM 579 N GLY A 37 3.502 -22.469 -14.088 1.00 0.00 N ATOM 580 CA GLY A 37 2.874 -23.777 -14.101 1.00 0.00 C ATOM 581 C GLY A 37 3.209 -24.593 -12.869 1.00 0.00 C ATOM 582 O GLY A 37 2.541 -25.583 -12.571 1.00 0.00 O ATOM 0 H GLY A 37 2.936 -21.726 -13.678 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.793 -23.657 -14.170 1.00 0.00 H new ATOM 0 HA3 GLY A 37 3.192 -24.321 -14.991 1.00 0.00 H new ATOM 586 N VAL A 38 4.248 -24.179 -12.151 1.00 0.00 N ATOM 587 CA VAL A 38 4.671 -24.879 -10.944 1.00 0.00 C ATOM 588 C VAL A 38 4.303 -24.090 -9.693 1.00 0.00 C ATOM 589 O VAL A 38 4.516 -22.878 -9.625 1.00 0.00 O ATOM 590 CB VAL A 38 6.190 -25.136 -10.948 1.00 0.00 C ATOM 591 CG1 VAL A 38 6.946 -23.862 -11.292 1.00 0.00 C ATOM 592 CG2 VAL A 38 6.640 -25.686 -9.603 1.00 0.00 C ATOM 0 H VAL A 38 4.812 -23.362 -12.384 1.00 0.00 H new ATOM 0 HA VAL A 38 4.148 -25.835 -10.933 1.00 0.00 H new ATOM 0 HB VAL A 38 6.413 -25.880 -11.713 1.00 0.00 H new ATOM 0 HG11 VAL A 38 8.017 -24.063 -11.290 1.00 0.00 H new ATOM 0 HG12 VAL A 38 6.644 -23.515 -12.280 1.00 0.00 H new ATOM 0 HG13 VAL A 38 6.720 -23.094 -10.553 1.00 0.00 H new ATOM 0 HG21 VAL A 38 7.716 -25.862 -9.623 1.00 0.00 H new ATOM 0 HG22 VAL A 38 6.405 -24.967 -8.819 1.00 0.00 H new ATOM 0 HG23 VAL A 38 6.123 -26.624 -9.402 1.00 0.00 H new ATOM 602 N LEU A 39 3.750 -24.783 -8.704 1.00 0.00 N ATOM 603 CA LEU A 39 3.352 -24.147 -7.453 1.00 0.00 C ATOM 604 C LEU A 39 4.454 -24.272 -6.405 1.00 0.00 C ATOM 605 O LEU A 39 5.340 -25.121 -6.497 1.00 0.00 O ATOM 606 CB LEU A 39 2.060 -24.774 -6.928 1.00 0.00 C ATOM 607 CG LEU A 39 1.890 -26.273 -7.180 1.00 0.00 C ATOM 608 CD1 LEU A 39 1.501 -26.529 -8.628 1.00 0.00 C ATOM 609 CD2 LEU A 39 3.167 -27.021 -6.827 1.00 0.00 C ATOM 0 H LEU A 39 3.567 -25.786 -8.744 1.00 0.00 H new ATOM 0 HA LEU A 39 3.181 -23.089 -7.650 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.005 -24.598 -5.854 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.217 -24.252 -7.380 1.00 0.00 H new ATOM 0 HG LEU A 39 1.089 -26.642 -6.540 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.384 -27.601 -8.789 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.560 -26.025 -8.847 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.280 -26.146 -9.287 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.028 -28.086 -7.012 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.988 -26.650 -7.441 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.402 -26.864 -5.774 1.00 0.00 H new ATOM 621 N PRO A 40 4.398 -23.406 -5.382 1.00 0.00 N ATOM 622 CA PRO A 40 5.381 -23.401 -4.294 1.00 0.00 C ATOM 623 C PRO A 40 5.256 -24.625 -3.394 1.00 0.00 C ATOM 624 O PRO A 40 6.222 -25.033 -2.750 1.00 0.00 O ATOM 625 CB PRO A 40 5.042 -22.127 -3.516 1.00 0.00 C ATOM 626 CG PRO A 40 3.602 -21.879 -3.803 1.00 0.00 C ATOM 627 CD PRO A 40 3.370 -22.366 -5.207 1.00 0.00 C ATOM 0 HA PRO A 40 6.404 -23.428 -4.669 1.00 0.00 H new ATOM 0 HB2 PRO A 40 5.216 -22.258 -2.448 1.00 0.00 H new ATOM 0 HB3 PRO A 40 5.660 -21.289 -3.840 1.00 0.00 H new ATOM 0 HG2 PRO A 40 2.966 -22.411 -3.095 1.00 0.00 H new ATOM 0 HG3 PRO A 40 3.363 -20.819 -3.713 1.00 0.00 H new ATOM 0 HD2 PRO A 40 2.365 -22.769 -5.331 1.00 0.00 H new ATOM 0 HD3 PRO A 40 3.483 -21.563 -5.935 1.00 0.00 H new ATOM 635 N GLU A 41 4.061 -25.205 -3.354 1.00 0.00 N ATOM 636 CA GLU A 41 3.811 -26.382 -2.531 1.00 0.00 C ATOM 637 C GLU A 41 4.705 -27.543 -2.956 1.00 0.00 C ATOM 638 O GLU A 41 4.898 -28.500 -2.205 1.00 0.00 O ATOM 639 CB GLU A 41 2.341 -26.795 -2.625 1.00 0.00 C ATOM 640 CG GLU A 41 1.936 -27.296 -4.001 1.00 0.00 C ATOM 641 CD GLU A 41 0.705 -28.180 -3.962 1.00 0.00 C ATOM 642 OE1 GLU A 41 0.846 -29.380 -3.644 1.00 0.00 O ATOM 643 OE2 GLU A 41 -0.400 -27.673 -4.248 1.00 0.00 O ATOM 0 H GLU A 41 3.251 -24.879 -3.882 1.00 0.00 H new ATOM 0 HA GLU A 41 4.044 -26.127 -1.497 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.144 -27.576 -1.891 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.715 -25.943 -2.359 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.745 -26.443 -4.652 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.764 -27.853 -4.439 1.00 0.00 H new ATOM 650 N ARG A 42 5.248 -27.452 -4.166 1.00 0.00 N ATOM 651 CA ARG A 42 6.120 -28.494 -4.693 1.00 0.00 C ATOM 652 C ARG A 42 7.583 -28.067 -4.621 1.00 0.00 C ATOM 653 O ARG A 42 8.458 -28.870 -4.295 1.00 0.00 O ATOM 654 CB ARG A 42 5.744 -28.821 -6.139 1.00 0.00 C ATOM 655 CG ARG A 42 4.622 -29.840 -6.262 1.00 0.00 C ATOM 656 CD ARG A 42 5.158 -31.263 -6.243 1.00 0.00 C ATOM 657 NE ARG A 42 5.290 -31.780 -4.883 1.00 0.00 N ATOM 658 CZ ARG A 42 6.007 -32.854 -4.572 1.00 0.00 C ATOM 659 NH1 ARG A 42 6.654 -33.521 -5.518 1.00 0.00 N ATOM 660 NH2 ARG A 42 6.078 -33.263 -3.311 1.00 0.00 N ATOM 0 H ARG A 42 5.099 -26.667 -4.800 1.00 0.00 H new ATOM 0 HA ARG A 42 5.989 -29.386 -4.080 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.446 -27.902 -6.644 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.625 -29.199 -6.658 1.00 0.00 H new ATOM 0 HG2 ARG A 42 3.915 -29.705 -5.443 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.073 -29.669 -7.188 1.00 0.00 H new ATOM 0 HD2 ARG A 42 4.491 -31.909 -6.813 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.129 -31.291 -6.737 1.00 0.00 H new ATOM 0 HE ARG A 42 4.805 -31.290 -4.131 1.00 0.00 H new ATOM 0 HH11 ARG A 42 6.602 -33.210 -6.488 1.00 0.00 H new ATOM 0 HH12 ARG A 42 7.204 -34.345 -5.276 1.00 0.00 H new ATOM 0 HH21 ARG A 42 5.582 -32.752 -2.581 1.00 0.00 H new ATOM 0 HH22 ARG A 42 6.629 -34.088 -3.073 1.00 0.00 H new ATOM 674 N GLN A 43 7.840 -26.800 -4.927 1.00 0.00 N ATOM 675 CA GLN A 43 9.197 -26.267 -4.898 1.00 0.00 C ATOM 676 C GLN A 43 9.240 -24.926 -4.174 1.00 0.00 C ATOM 677 O GLN A 43 8.202 -24.360 -3.830 1.00 0.00 O ATOM 678 CB GLN A 43 9.736 -26.110 -6.320 1.00 0.00 C ATOM 679 CG GLN A 43 8.677 -25.701 -7.331 1.00 0.00 C ATOM 680 CD GLN A 43 9.128 -24.559 -8.220 1.00 0.00 C ATOM 681 OE1 GLN A 43 8.992 -23.388 -7.864 1.00 0.00 O ATOM 682 NE2 GLN A 43 9.670 -24.894 -9.385 1.00 0.00 N ATOM 0 H GLN A 43 7.127 -26.123 -5.198 1.00 0.00 H new ATOM 0 HA GLN A 43 9.826 -26.972 -4.355 1.00 0.00 H new ATOM 0 HB2 GLN A 43 10.531 -25.365 -6.318 1.00 0.00 H new ATOM 0 HB3 GLN A 43 10.183 -27.052 -6.636 1.00 0.00 H new ATOM 0 HG2 GLN A 43 8.422 -26.560 -7.951 1.00 0.00 H new ATOM 0 HG3 GLN A 43 7.770 -25.408 -6.803 1.00 0.00 H new ATOM 0 HE21 GLN A 43 9.763 -25.877 -9.640 1.00 0.00 H new ATOM 0 HE22 GLN A 43 9.993 -24.168 -10.025 1.00 0.00 H new ATOM 691 N LYS A 44 10.448 -24.422 -3.944 1.00 0.00 N ATOM 692 CA LYS A 44 10.628 -23.146 -3.261 1.00 0.00 C ATOM 693 C LYS A 44 11.593 -22.249 -4.030 1.00 0.00 C ATOM 694 O LYS A 44 12.451 -22.733 -4.769 1.00 0.00 O ATOM 695 CB LYS A 44 11.148 -23.373 -1.840 1.00 0.00 C ATOM 696 CG LYS A 44 12.471 -24.117 -1.789 1.00 0.00 C ATOM 697 CD LYS A 44 12.263 -25.615 -1.641 1.00 0.00 C ATOM 698 CE LYS A 44 13.588 -26.362 -1.619 1.00 0.00 C ATOM 699 NZ LYS A 44 14.186 -26.469 -2.979 1.00 0.00 N ATOM 0 H LYS A 44 11.317 -24.878 -4.221 1.00 0.00 H new ATOM 0 HA LYS A 44 9.659 -22.649 -3.211 1.00 0.00 H new ATOM 0 HB2 LYS A 44 11.264 -22.408 -1.346 1.00 0.00 H new ATOM 0 HB3 LYS A 44 10.403 -23.933 -1.275 1.00 0.00 H new ATOM 0 HG2 LYS A 44 13.038 -23.916 -2.698 1.00 0.00 H new ATOM 0 HG3 LYS A 44 13.066 -23.747 -0.954 1.00 0.00 H new ATOM 0 HD2 LYS A 44 11.714 -25.818 -0.721 1.00 0.00 H new ATOM 0 HD3 LYS A 44 11.651 -25.982 -2.465 1.00 0.00 H new ATOM 0 HE2 LYS A 44 14.284 -25.848 -0.956 1.00 0.00 H new ATOM 0 HE3 LYS A 44 13.435 -27.361 -1.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 15.088 -26.984 -2.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 13.533 -26.981 -3.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 14.355 -25.516 -3.360 1.00 0.00 H new ATOM 713 N LEU A 45 11.447 -20.941 -3.851 1.00 0.00 N ATOM 714 CA LEU A 45 12.307 -19.975 -4.527 1.00 0.00 C ATOM 715 C LEU A 45 13.653 -19.856 -3.819 1.00 0.00 C ATOM 716 O LEU A 45 13.717 -19.795 -2.590 1.00 0.00 O ATOM 717 CB LEU A 45 11.625 -18.607 -4.585 1.00 0.00 C ATOM 718 CG LEU A 45 10.771 -18.335 -5.824 1.00 0.00 C ATOM 719 CD1 LEU A 45 11.607 -18.461 -7.087 1.00 0.00 C ATOM 720 CD2 LEU A 45 9.583 -19.285 -5.872 1.00 0.00 C ATOM 0 H LEU A 45 10.741 -20.524 -3.244 1.00 0.00 H new ATOM 0 HA LEU A 45 12.482 -20.330 -5.543 1.00 0.00 H new ATOM 0 HB2 LEU A 45 10.994 -18.500 -3.703 1.00 0.00 H new ATOM 0 HB3 LEU A 45 12.394 -17.837 -4.522 1.00 0.00 H new ATOM 0 HG LEU A 45 10.393 -17.314 -5.764 1.00 0.00 H new ATOM 0 HD11 LEU A 45 10.982 -18.264 -7.958 1.00 0.00 H new ATOM 0 HD12 LEU A 45 12.424 -17.740 -7.056 1.00 0.00 H new ATOM 0 HD13 LEU A 45 12.015 -19.469 -7.154 1.00 0.00 H new ATOM 0 HD21 LEU A 45 8.986 -19.077 -6.760 1.00 0.00 H new ATOM 0 HD22 LEU A 45 9.941 -20.314 -5.908 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.969 -19.146 -4.982 1.00 0.00 H new ATOM 732 N LEU A 46 14.726 -19.820 -4.601 1.00 0.00 N ATOM 733 CA LEU A 46 16.071 -19.705 -4.049 1.00 0.00 C ATOM 734 C LEU A 46 16.152 -18.559 -3.046 1.00 0.00 C ATOM 735 O LEU A 46 15.796 -17.423 -3.355 1.00 0.00 O ATOM 736 CB LEU A 46 17.087 -19.487 -5.172 1.00 0.00 C ATOM 737 CG LEU A 46 18.180 -20.548 -5.303 1.00 0.00 C ATOM 738 CD1 LEU A 46 19.168 -20.166 -6.394 1.00 0.00 C ATOM 739 CD2 LEU A 46 18.899 -20.741 -3.975 1.00 0.00 C ATOM 0 H LEU A 46 14.691 -19.869 -5.619 1.00 0.00 H new ATOM 0 HA LEU A 46 16.305 -20.635 -3.530 1.00 0.00 H new ATOM 0 HB2 LEU A 46 16.547 -19.431 -6.117 1.00 0.00 H new ATOM 0 HB3 LEU A 46 17.564 -18.519 -5.020 1.00 0.00 H new ATOM 0 HG LEU A 46 17.711 -21.492 -5.580 1.00 0.00 H new ATOM 0 HD11 LEU A 46 19.938 -20.933 -6.472 1.00 0.00 H new ATOM 0 HD12 LEU A 46 18.644 -20.080 -7.346 1.00 0.00 H new ATOM 0 HD13 LEU A 46 19.631 -19.211 -6.147 1.00 0.00 H new ATOM 0 HD21 LEU A 46 19.673 -21.500 -4.087 1.00 0.00 H new ATOM 0 HD22 LEU A 46 19.355 -19.800 -3.668 1.00 0.00 H new ATOM 0 HD23 LEU A 46 18.184 -21.062 -3.217 1.00 0.00 H new ATOM 751 N GLY A 47 16.625 -18.866 -1.842 1.00 0.00 N ATOM 752 CA GLY A 47 16.747 -17.851 -0.811 1.00 0.00 C ATOM 753 C GLY A 47 17.375 -18.387 0.459 1.00 0.00 C ATOM 754 O GLY A 47 18.510 -18.865 0.446 1.00 0.00 O ATOM 0 H GLY A 47 16.926 -19.799 -1.562 1.00 0.00 H new ATOM 0 HA2 GLY A 47 17.348 -17.024 -1.189 1.00 0.00 H new ATOM 0 HA3 GLY A 47 15.760 -17.449 -0.583 1.00 0.00 H new ATOM 758 N LEU A 48 16.638 -18.306 1.562 1.00 0.00 N ATOM 759 CA LEU A 48 17.131 -18.786 2.848 1.00 0.00 C ATOM 760 C LEU A 48 16.067 -19.612 3.565 1.00 0.00 C ATOM 761 O LEU A 48 14.911 -19.656 3.144 1.00 0.00 O ATOM 762 CB LEU A 48 17.554 -17.607 3.726 1.00 0.00 C ATOM 763 CG LEU A 48 18.775 -17.837 4.616 1.00 0.00 C ATOM 764 CD1 LEU A 48 19.994 -18.177 3.773 1.00 0.00 C ATOM 765 CD2 LEU A 48 19.046 -16.613 5.478 1.00 0.00 C ATOM 0 H LEU A 48 15.697 -17.913 1.591 1.00 0.00 H new ATOM 0 HA LEU A 48 17.996 -19.423 2.663 1.00 0.00 H new ATOM 0 HB2 LEU A 48 17.756 -16.753 3.080 1.00 0.00 H new ATOM 0 HB3 LEU A 48 16.712 -17.333 4.362 1.00 0.00 H new ATOM 0 HG LEU A 48 18.566 -18.681 5.274 1.00 0.00 H new ATOM 0 HD11 LEU A 48 20.853 -18.337 4.424 1.00 0.00 H new ATOM 0 HD12 LEU A 48 19.799 -19.083 3.200 1.00 0.00 H new ATOM 0 HD13 LEU A 48 20.205 -17.354 3.090 1.00 0.00 H new ATOM 0 HD21 LEU A 48 19.919 -16.795 6.105 1.00 0.00 H new ATOM 0 HD22 LEU A 48 19.233 -15.751 4.838 1.00 0.00 H new ATOM 0 HD23 LEU A 48 18.181 -16.414 6.110 1.00 0.00 H new ATOM 777 N LYS A 49 16.466 -20.265 4.651 1.00 0.00 N ATOM 778 CA LYS A 49 15.547 -21.088 5.430 1.00 0.00 C ATOM 779 C LYS A 49 15.398 -20.544 6.847 1.00 0.00 C ATOM 780 O LYS A 49 16.388 -20.291 7.533 1.00 0.00 O ATOM 781 CB LYS A 49 16.042 -22.535 5.477 1.00 0.00 C ATOM 782 CG LYS A 49 16.567 -23.042 4.145 1.00 0.00 C ATOM 783 CD LYS A 49 16.461 -24.555 4.043 1.00 0.00 C ATOM 784 CE LYS A 49 17.663 -25.242 4.672 1.00 0.00 C ATOM 785 NZ LYS A 49 17.611 -25.196 6.160 1.00 0.00 N ATOM 0 H LYS A 49 17.420 -20.241 5.012 1.00 0.00 H new ATOM 0 HA LYS A 49 14.572 -21.060 4.944 1.00 0.00 H new ATOM 0 HB2 LYS A 49 16.832 -22.616 6.224 1.00 0.00 H new ATOM 0 HB3 LYS A 49 15.226 -23.179 5.805 1.00 0.00 H new ATOM 0 HG2 LYS A 49 16.005 -22.581 3.332 1.00 0.00 H new ATOM 0 HG3 LYS A 49 17.607 -22.740 4.024 1.00 0.00 H new ATOM 0 HD2 LYS A 49 15.549 -24.891 4.537 1.00 0.00 H new ATOM 0 HD3 LYS A 49 16.382 -24.845 2.995 1.00 0.00 H new ATOM 0 HE2 LYS A 49 17.702 -26.280 4.342 1.00 0.00 H new ATOM 0 HE3 LYS A 49 18.578 -24.762 4.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 18.074 -26.042 6.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 18.104 -24.345 6.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 16.619 -25.169 6.472 1.00 0.00 H new ATOM 799 N VAL A 50 14.154 -20.369 7.281 1.00 0.00 N ATOM 800 CA VAL A 50 13.875 -19.858 8.617 1.00 0.00 C ATOM 801 C VAL A 50 13.352 -20.962 9.530 1.00 0.00 C ATOM 802 O VAL A 50 12.525 -21.778 9.124 1.00 0.00 O ATOM 803 CB VAL A 50 12.848 -18.711 8.577 1.00 0.00 C ATOM 804 CG1 VAL A 50 11.477 -19.235 8.178 1.00 0.00 C ATOM 805 CG2 VAL A 50 12.787 -18.003 9.922 1.00 0.00 C ATOM 0 H VAL A 50 13.323 -20.574 6.726 1.00 0.00 H new ATOM 0 HA VAL A 50 14.817 -19.478 9.013 1.00 0.00 H new ATOM 0 HB VAL A 50 13.166 -17.988 7.826 1.00 0.00 H new ATOM 0 HG11 VAL A 50 10.765 -18.410 8.155 1.00 0.00 H new ATOM 0 HG12 VAL A 50 11.535 -19.691 7.190 1.00 0.00 H new ATOM 0 HG13 VAL A 50 11.147 -19.979 8.903 1.00 0.00 H new ATOM 0 HG21 VAL A 50 12.056 -17.196 9.875 1.00 0.00 H new ATOM 0 HG22 VAL A 50 12.493 -18.714 10.694 1.00 0.00 H new ATOM 0 HG23 VAL A 50 13.768 -17.592 10.161 1.00 0.00 H new ATOM 815 N LYS A 51 13.840 -20.981 10.765 1.00 0.00 N ATOM 816 CA LYS A 51 13.421 -21.983 11.738 1.00 0.00 C ATOM 817 C LYS A 51 13.765 -23.388 11.254 1.00 0.00 C ATOM 818 O LYS A 51 13.227 -24.376 11.752 1.00 0.00 O ATOM 819 CB LYS A 51 11.917 -21.875 11.998 1.00 0.00 C ATOM 820 CG LYS A 51 11.457 -20.466 12.330 1.00 0.00 C ATOM 821 CD LYS A 51 11.944 -20.030 13.702 1.00 0.00 C ATOM 822 CE LYS A 51 10.899 -20.293 14.775 1.00 0.00 C ATOM 823 NZ LYS A 51 10.976 -21.687 15.293 1.00 0.00 N ATOM 0 H LYS A 51 14.527 -20.314 11.116 1.00 0.00 H new ATOM 0 HA LYS A 51 13.958 -21.796 12.668 1.00 0.00 H new ATOM 0 HB2 LYS A 51 11.378 -22.226 11.118 1.00 0.00 H new ATOM 0 HB3 LYS A 51 11.650 -22.539 12.821 1.00 0.00 H new ATOM 0 HG2 LYS A 51 11.828 -19.774 11.574 1.00 0.00 H new ATOM 0 HG3 LYS A 51 10.368 -20.420 12.298 1.00 0.00 H new ATOM 0 HD2 LYS A 51 12.862 -20.562 13.949 1.00 0.00 H new ATOM 0 HD3 LYS A 51 12.187 -18.968 13.682 1.00 0.00 H new ATOM 0 HE2 LYS A 51 11.038 -19.592 15.598 1.00 0.00 H new ATOM 0 HE3 LYS A 51 9.905 -20.112 14.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 10.510 -21.739 16.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 10.499 -22.331 14.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 11.973 -21.967 15.390 1.00 0.00 H new ATOM 837 N GLY A 52 14.666 -23.470 10.279 1.00 0.00 N ATOM 838 CA GLY A 52 15.066 -24.758 9.745 1.00 0.00 C ATOM 839 C GLY A 52 14.171 -25.219 8.612 1.00 0.00 C ATOM 840 O GLY A 52 14.370 -26.298 8.053 1.00 0.00 O ATOM 0 H GLY A 52 15.126 -22.667 9.850 1.00 0.00 H new ATOM 0 HA2 GLY A 52 16.095 -24.697 9.390 1.00 0.00 H new ATOM 0 HA3 GLY A 52 15.048 -25.500 10.543 1.00 0.00 H new ATOM 844 N LYS A 53 13.181 -24.402 8.272 1.00 0.00 N ATOM 845 CA LYS A 53 12.250 -24.731 7.198 1.00 0.00 C ATOM 846 C LYS A 53 12.576 -23.940 5.935 1.00 0.00 C ATOM 847 O LYS A 53 12.978 -22.778 5.987 1.00 0.00 O ATOM 848 CB LYS A 53 10.812 -24.443 7.636 1.00 0.00 C ATOM 849 CG LYS A 53 10.262 -25.459 8.622 1.00 0.00 C ATOM 850 CD LYS A 53 9.139 -26.280 8.010 1.00 0.00 C ATOM 851 CE LYS A 53 8.585 -27.292 9.001 1.00 0.00 C ATOM 852 NZ LYS A 53 7.906 -28.425 8.314 1.00 0.00 N ATOM 0 H LYS A 53 13.002 -23.506 8.725 1.00 0.00 H new ATOM 0 HA LYS A 53 12.350 -25.794 6.976 1.00 0.00 H new ATOM 0 HB2 LYS A 53 10.770 -23.452 8.087 1.00 0.00 H new ATOM 0 HB3 LYS A 53 10.170 -24.420 6.755 1.00 0.00 H new ATOM 0 HG2 LYS A 53 11.063 -26.123 8.947 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.895 -24.944 9.510 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.339 -25.616 7.681 1.00 0.00 H new ATOM 0 HD3 LYS A 53 9.507 -26.799 7.125 1.00 0.00 H new ATOM 0 HE2 LYS A 53 9.396 -27.676 9.620 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.880 -26.798 9.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.542 -29.093 9.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.116 -28.062 7.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.585 -28.913 7.695 1.00 0.00 H new ATOM 866 N PRO A 54 12.398 -24.583 4.771 1.00 0.00 N ATOM 867 CA PRO A 54 12.665 -23.958 3.473 1.00 0.00 C ATOM 868 C PRO A 54 11.656 -22.866 3.136 1.00 0.00 C ATOM 869 O PRO A 54 10.881 -22.995 2.189 1.00 0.00 O ATOM 870 CB PRO A 54 12.542 -25.122 2.486 1.00 0.00 C ATOM 871 CG PRO A 54 11.641 -26.097 3.162 1.00 0.00 C ATOM 872 CD PRO A 54 11.922 -25.970 4.634 1.00 0.00 C ATOM 0 HA PRO A 54 13.636 -23.464 3.452 1.00 0.00 H new ATOM 0 HB2 PRO A 54 12.126 -24.792 1.534 1.00 0.00 H new ATOM 0 HB3 PRO A 54 13.515 -25.564 2.272 1.00 0.00 H new ATOM 0 HG2 PRO A 54 10.596 -25.878 2.944 1.00 0.00 H new ATOM 0 HG3 PRO A 54 11.833 -27.112 2.814 1.00 0.00 H new ATOM 0 HD2 PRO A 54 11.028 -26.149 5.231 1.00 0.00 H new ATOM 0 HD3 PRO A 54 12.674 -26.687 4.963 1.00 0.00 H new ATOM 880 N ALA A 55 11.671 -21.791 3.918 1.00 0.00 N ATOM 881 CA ALA A 55 10.758 -20.676 3.701 1.00 0.00 C ATOM 882 C ALA A 55 9.319 -21.162 3.566 1.00 0.00 C ATOM 883 O ALA A 55 8.843 -21.423 2.462 1.00 0.00 O ATOM 884 CB ALA A 55 11.169 -19.890 2.464 1.00 0.00 C ATOM 0 H ALA A 55 12.306 -21.669 4.707 1.00 0.00 H new ATOM 0 HA ALA A 55 10.813 -20.020 4.570 1.00 0.00 H new ATOM 0 HB1 ALA A 55 10.478 -19.060 2.314 1.00 0.00 H new ATOM 0 HB2 ALA A 55 12.179 -19.502 2.598 1.00 0.00 H new ATOM 0 HB3 ALA A 55 11.145 -20.544 1.593 1.00 0.00 H new ATOM 890 N GLU A 56 8.632 -21.282 4.698 1.00 0.00 N ATOM 891 CA GLU A 56 7.247 -21.739 4.705 1.00 0.00 C ATOM 892 C GLU A 56 6.371 -20.836 3.841 1.00 0.00 C ATOM 893 O GLU A 56 6.691 -19.668 3.623 1.00 0.00 O ATOM 894 CB GLU A 56 6.706 -21.774 6.136 1.00 0.00 C ATOM 895 CG GLU A 56 5.610 -22.806 6.347 1.00 0.00 C ATOM 896 CD GLU A 56 6.057 -24.212 5.998 1.00 0.00 C ATOM 897 OE1 GLU A 56 7.279 -24.471 6.026 1.00 0.00 O ATOM 898 OE2 GLU A 56 5.185 -25.053 5.696 1.00 0.00 O ATOM 0 H GLU A 56 9.011 -21.069 5.621 1.00 0.00 H new ATOM 0 HA GLU A 56 7.222 -22.746 4.289 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.528 -21.983 6.821 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.320 -20.788 6.394 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.287 -22.779 7.388 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.746 -22.542 5.738 1.00 0.00 H new ATOM 905 N ASN A 57 5.266 -21.387 3.350 1.00 0.00 N ATOM 906 CA ASN A 57 4.345 -20.633 2.508 1.00 0.00 C ATOM 907 C ASN A 57 3.859 -19.375 3.224 1.00 0.00 C ATOM 908 O ASN A 57 3.552 -18.367 2.588 1.00 0.00 O ATOM 909 CB ASN A 57 3.149 -21.504 2.117 1.00 0.00 C ATOM 910 CG ASN A 57 3.343 -22.182 0.775 1.00 0.00 C ATOM 911 OD1 ASN A 57 3.723 -21.404 -0.232 1.00 0.00 O flip ATOM 912 ND2 ASN A 57 3.154 -23.392 0.645 1.00 0.00 N flip ATOM 0 H ASN A 57 4.987 -22.353 3.521 1.00 0.00 H new ATOM 0 HA ASN A 57 4.879 -20.334 1.606 1.00 0.00 H new ATOM 0 HB2 ASN A 57 2.988 -22.262 2.884 1.00 0.00 H new ATOM 0 HB3 ASN A 57 2.250 -20.889 2.084 1.00 0.00 H new ATOM 0 HD21 ASN A 57 2.862 -23.952 1.446 1.00 0.00 H new ATOM 0 HD22 ASN A 57 3.289 -23.835 -0.264 1.00 0.00 H new ATOM 919 N ASP A 58 3.794 -19.443 4.549 1.00 0.00 N ATOM 920 CA ASP A 58 3.348 -18.311 5.351 1.00 0.00 C ATOM 921 C ASP A 58 4.484 -17.316 5.567 1.00 0.00 C ATOM 922 O ASP A 58 4.265 -16.198 6.032 1.00 0.00 O ATOM 923 CB ASP A 58 2.812 -18.793 6.700 1.00 0.00 C ATOM 924 CG ASP A 58 1.345 -19.170 6.640 1.00 0.00 C ATOM 925 OD1 ASP A 58 0.495 -18.260 6.735 1.00 0.00 O ATOM 926 OD2 ASP A 58 1.047 -20.374 6.498 1.00 0.00 O ATOM 0 H ASP A 58 4.045 -20.271 5.090 1.00 0.00 H new ATOM 0 HA ASP A 58 2.547 -17.808 4.810 1.00 0.00 H new ATOM 0 HB2 ASP A 58 3.392 -19.654 7.031 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.952 -18.009 7.444 1.00 0.00 H new ATOM 931 N VAL A 59 5.700 -17.733 5.228 1.00 0.00 N ATOM 932 CA VAL A 59 6.872 -16.879 5.384 1.00 0.00 C ATOM 933 C VAL A 59 6.872 -15.752 4.357 1.00 0.00 C ATOM 934 O VAL A 59 6.466 -15.942 3.211 1.00 0.00 O ATOM 935 CB VAL A 59 8.177 -17.686 5.245 1.00 0.00 C ATOM 936 CG1 VAL A 59 8.635 -17.714 3.795 1.00 0.00 C ATOM 937 CG2 VAL A 59 9.259 -17.107 6.144 1.00 0.00 C ATOM 0 H VAL A 59 5.899 -18.657 4.844 1.00 0.00 H new ATOM 0 HA VAL A 59 6.822 -16.453 6.386 1.00 0.00 H new ATOM 0 HB VAL A 59 7.986 -18.712 5.560 1.00 0.00 H new ATOM 0 HG11 VAL A 59 9.558 -18.288 3.716 1.00 0.00 H new ATOM 0 HG12 VAL A 59 7.865 -18.178 3.179 1.00 0.00 H new ATOM 0 HG13 VAL A 59 8.811 -16.695 3.449 1.00 0.00 H new ATOM 0 HG21 VAL A 59 10.174 -17.689 6.033 1.00 0.00 H new ATOM 0 HG22 VAL A 59 9.451 -16.072 5.862 1.00 0.00 H new ATOM 0 HG23 VAL A 59 8.928 -17.145 7.182 1.00 0.00 H new ATOM 947 N LYS A 60 7.331 -14.578 4.776 1.00 0.00 N ATOM 948 CA LYS A 60 7.387 -13.419 3.893 1.00 0.00 C ATOM 949 C LYS A 60 8.549 -13.537 2.913 1.00 0.00 C ATOM 950 O LYS A 60 9.511 -14.266 3.159 1.00 0.00 O ATOM 951 CB LYS A 60 7.525 -12.134 4.713 1.00 0.00 C ATOM 952 CG LYS A 60 6.849 -12.203 6.071 1.00 0.00 C ATOM 953 CD LYS A 60 6.225 -10.870 6.452 1.00 0.00 C ATOM 954 CE LYS A 60 4.712 -10.974 6.563 1.00 0.00 C ATOM 955 NZ LYS A 60 4.289 -11.501 7.890 1.00 0.00 N ATOM 0 H LYS A 60 7.670 -14.404 5.722 1.00 0.00 H new ATOM 0 HA LYS A 60 6.458 -13.382 3.324 1.00 0.00 H new ATOM 0 HB2 LYS A 60 8.583 -11.915 4.854 1.00 0.00 H new ATOM 0 HB3 LYS A 60 7.101 -11.305 4.147 1.00 0.00 H new ATOM 0 HG2 LYS A 60 6.080 -12.975 6.057 1.00 0.00 H new ATOM 0 HG3 LYS A 60 7.578 -12.494 6.827 1.00 0.00 H new ATOM 0 HD2 LYS A 60 6.638 -10.532 7.402 1.00 0.00 H new ATOM 0 HD3 LYS A 60 6.485 -10.119 5.706 1.00 0.00 H new ATOM 0 HE2 LYS A 60 4.268 -9.991 6.404 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.334 -11.626 5.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.251 -11.557 7.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.692 -12.449 8.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.628 -10.865 8.640 1.00 0.00 H new ATOM 969 N LEU A 61 8.455 -12.815 1.801 1.00 0.00 N ATOM 970 CA LEU A 61 9.500 -12.838 0.784 1.00 0.00 C ATOM 971 C LEU A 61 10.762 -12.141 1.284 1.00 0.00 C ATOM 972 O LEU A 61 11.796 -12.776 1.485 1.00 0.00 O ATOM 973 CB LEU A 61 9.006 -12.165 -0.498 1.00 0.00 C ATOM 974 CG LEU A 61 7.899 -12.898 -1.257 1.00 0.00 C ATOM 975 CD1 LEU A 61 8.259 -14.364 -1.441 1.00 0.00 C ATOM 976 CD2 LEU A 61 6.571 -12.761 -0.526 1.00 0.00 C ATOM 0 H LEU A 61 7.666 -12.207 1.581 1.00 0.00 H new ATOM 0 HA LEU A 61 9.742 -13.879 0.571 1.00 0.00 H new ATOM 0 HB2 LEU A 61 8.647 -11.167 -0.246 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.856 -12.038 -1.169 1.00 0.00 H new ATOM 0 HG LEU A 61 7.798 -12.443 -2.242 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.460 -14.870 -1.983 1.00 0.00 H new ATOM 0 HD12 LEU A 61 9.187 -14.442 -2.007 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.388 -14.832 -0.465 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.795 -13.289 -1.080 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.659 -13.190 0.472 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.307 -11.707 -0.446 1.00 0.00 H new ATOM 988 N GLY A 62 10.668 -10.830 1.484 1.00 0.00 N ATOM 989 CA GLY A 62 11.808 -10.068 1.961 1.00 0.00 C ATOM 990 C GLY A 62 12.377 -10.623 3.252 1.00 0.00 C ATOM 991 O GLY A 62 13.472 -10.247 3.667 1.00 0.00 O ATOM 0 H GLY A 62 9.823 -10.282 1.324 1.00 0.00 H new ATOM 0 HA2 GLY A 62 12.585 -10.065 1.197 1.00 0.00 H new ATOM 0 HA3 GLY A 62 11.509 -9.031 2.115 1.00 0.00 H new ATOM 995 N ALA A 63 11.629 -11.518 3.889 1.00 0.00 N ATOM 996 CA ALA A 63 12.066 -12.126 5.140 1.00 0.00 C ATOM 997 C ALA A 63 13.362 -12.907 4.948 1.00 0.00 C ATOM 998 O ALA A 63 14.378 -12.608 5.578 1.00 0.00 O ATOM 999 CB ALA A 63 10.977 -13.033 5.694 1.00 0.00 C ATOM 0 H ALA A 63 10.718 -11.838 3.560 1.00 0.00 H new ATOM 0 HA ALA A 63 12.258 -11.327 5.856 1.00 0.00 H new ATOM 0 HB1 ALA A 63 11.317 -13.480 6.628 1.00 0.00 H new ATOM 0 HB2 ALA A 63 10.076 -12.449 5.878 1.00 0.00 H new ATOM 0 HB3 ALA A 63 10.758 -13.821 4.973 1.00 0.00 H new ATOM 1005 N LEU A 64 13.319 -13.909 4.077 1.00 0.00 N ATOM 1006 CA LEU A 64 14.491 -14.734 3.803 1.00 0.00 C ATOM 1007 C LEU A 64 14.815 -14.742 2.312 1.00 0.00 C ATOM 1008 O LEU A 64 15.981 -14.781 1.919 1.00 0.00 O ATOM 1009 CB LEU A 64 14.258 -16.164 4.293 1.00 0.00 C ATOM 1010 CG LEU A 64 12.798 -16.576 4.491 1.00 0.00 C ATOM 1011 CD1 LEU A 64 12.084 -16.672 3.152 1.00 0.00 C ATOM 1012 CD2 LEU A 64 12.715 -17.899 5.238 1.00 0.00 C ATOM 0 H LEU A 64 12.486 -14.170 3.549 1.00 0.00 H new ATOM 0 HA LEU A 64 15.339 -14.306 4.338 1.00 0.00 H new ATOM 0 HB2 LEU A 64 14.715 -16.850 3.580 1.00 0.00 H new ATOM 0 HB3 LEU A 64 14.783 -16.292 5.240 1.00 0.00 H new ATOM 0 HG LEU A 64 12.302 -15.812 5.089 1.00 0.00 H new ATOM 0 HD11 LEU A 64 11.047 -16.966 3.313 1.00 0.00 H new ATOM 0 HD12 LEU A 64 12.113 -15.703 2.654 1.00 0.00 H new ATOM 0 HD13 LEU A 64 12.579 -17.416 2.528 1.00 0.00 H new ATOM 0 HD21 LEU A 64 11.669 -18.177 5.370 1.00 0.00 H new ATOM 0 HD22 LEU A 64 13.227 -18.673 4.666 1.00 0.00 H new ATOM 0 HD23 LEU A 64 13.189 -17.796 6.214 1.00 0.00 H new ATOM 1024 N LYS A 65 13.775 -14.702 1.486 1.00 0.00 N ATOM 1025 CA LYS A 65 13.947 -14.701 0.038 1.00 0.00 C ATOM 1026 C LYS A 65 14.953 -13.637 -0.389 1.00 0.00 C ATOM 1027 O LYS A 65 16.142 -13.920 -0.547 1.00 0.00 O ATOM 1028 CB LYS A 65 12.605 -14.456 -0.656 1.00 0.00 C ATOM 1029 CG LYS A 65 11.547 -15.492 -0.315 1.00 0.00 C ATOM 1030 CD LYS A 65 11.859 -16.837 -0.950 1.00 0.00 C ATOM 1031 CE LYS A 65 12.044 -17.920 0.102 1.00 0.00 C ATOM 1032 NZ LYS A 65 11.937 -19.285 -0.482 1.00 0.00 N ATOM 0 H LYS A 65 12.803 -14.670 1.795 1.00 0.00 H new ATOM 0 HA LYS A 65 14.329 -15.678 -0.258 1.00 0.00 H new ATOM 0 HB2 LYS A 65 12.237 -13.468 -0.379 1.00 0.00 H new ATOM 0 HB3 LYS A 65 12.759 -14.448 -1.735 1.00 0.00 H new ATOM 0 HG2 LYS A 65 11.483 -15.606 0.767 1.00 0.00 H new ATOM 0 HG3 LYS A 65 10.572 -15.144 -0.657 1.00 0.00 H new ATOM 0 HD2 LYS A 65 11.051 -17.118 -1.625 1.00 0.00 H new ATOM 0 HD3 LYS A 65 12.764 -16.755 -1.553 1.00 0.00 H new ATOM 0 HE2 LYS A 65 13.019 -17.803 0.576 1.00 0.00 H new ATOM 0 HE3 LYS A 65 11.293 -17.799 0.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 12.462 -19.959 0.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.937 -19.567 -0.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 12.337 -19.284 -1.442 1.00 0.00 H new ATOM 1046 N LEU A 66 14.471 -12.413 -0.573 1.00 0.00 N ATOM 1047 CA LEU A 66 15.329 -11.305 -0.980 1.00 0.00 C ATOM 1048 C LEU A 66 14.511 -10.038 -1.207 1.00 0.00 C ATOM 1049 O LEU A 66 13.314 -10.000 -0.924 1.00 0.00 O ATOM 1050 CB LEU A 66 16.092 -11.668 -2.255 1.00 0.00 C ATOM 1051 CG LEU A 66 15.312 -12.467 -3.301 1.00 0.00 C ATOM 1052 CD1 LEU A 66 14.185 -11.627 -3.881 1.00 0.00 C ATOM 1053 CD2 LEU A 66 16.241 -12.952 -4.404 1.00 0.00 C ATOM 0 H LEU A 66 13.490 -12.162 -0.447 1.00 0.00 H new ATOM 0 HA LEU A 66 16.042 -11.116 -0.178 1.00 0.00 H new ATOM 0 HB2 LEU A 66 16.443 -10.746 -2.719 1.00 0.00 H new ATOM 0 HB3 LEU A 66 16.976 -12.241 -1.975 1.00 0.00 H new ATOM 0 HG LEU A 66 14.875 -13.338 -2.814 1.00 0.00 H new ATOM 0 HD11 LEU A 66 13.641 -12.211 -4.623 1.00 0.00 H new ATOM 0 HD12 LEU A 66 13.505 -11.330 -3.083 1.00 0.00 H new ATOM 0 HD13 LEU A 66 14.601 -10.737 -4.353 1.00 0.00 H new ATOM 0 HD21 LEU A 66 15.669 -13.518 -5.139 1.00 0.00 H new ATOM 0 HD22 LEU A 66 16.708 -12.095 -4.890 1.00 0.00 H new ATOM 0 HD23 LEU A 66 17.013 -13.591 -3.975 1.00 0.00 H new ATOM 1065 N LYS A 67 15.166 -9.002 -1.721 1.00 0.00 N ATOM 1066 CA LYS A 67 14.500 -7.733 -1.990 1.00 0.00 C ATOM 1067 C LYS A 67 13.417 -7.901 -3.051 1.00 0.00 C ATOM 1068 O LYS A 67 13.354 -8.909 -3.755 1.00 0.00 O ATOM 1069 CB LYS A 67 15.518 -6.686 -2.447 1.00 0.00 C ATOM 1070 CG LYS A 67 15.938 -5.725 -1.348 1.00 0.00 C ATOM 1071 CD LYS A 67 17.243 -5.026 -1.687 1.00 0.00 C ATOM 1072 CE LYS A 67 17.008 -3.792 -2.546 1.00 0.00 C ATOM 1073 NZ LYS A 67 18.232 -3.399 -3.298 1.00 0.00 N ATOM 0 H LYS A 67 16.158 -9.017 -1.960 1.00 0.00 H new ATOM 0 HA LYS A 67 14.030 -7.395 -1.066 1.00 0.00 H new ATOM 0 HB2 LYS A 67 16.402 -7.195 -2.831 1.00 0.00 H new ATOM 0 HB3 LYS A 67 15.094 -6.116 -3.274 1.00 0.00 H new ATOM 0 HG2 LYS A 67 15.155 -4.982 -1.195 1.00 0.00 H new ATOM 0 HG3 LYS A 67 16.049 -6.269 -0.410 1.00 0.00 H new ATOM 0 HD2 LYS A 67 17.753 -4.739 -0.767 1.00 0.00 H new ATOM 0 HD3 LYS A 67 17.901 -5.717 -2.214 1.00 0.00 H new ATOM 0 HE2 LYS A 67 16.197 -3.987 -3.248 1.00 0.00 H new ATOM 0 HE3 LYS A 67 16.689 -2.964 -1.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 18.031 -2.555 -3.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 18.999 -3.188 -2.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 18.522 -4.179 -3.921 1.00 0.00 H new ATOM 1087 N PRO A 68 12.543 -6.890 -3.171 1.00 0.00 N ATOM 1088 CA PRO A 68 11.448 -6.902 -4.145 1.00 0.00 C ATOM 1089 C PRO A 68 11.947 -6.770 -5.580 1.00 0.00 C ATOM 1090 O PRO A 68 11.743 -7.663 -6.402 1.00 0.00 O ATOM 1091 CB PRO A 68 10.613 -5.679 -3.755 1.00 0.00 C ATOM 1092 CG PRO A 68 11.573 -4.768 -3.071 1.00 0.00 C ATOM 1093 CD PRO A 68 12.558 -5.658 -2.365 1.00 0.00 C ATOM 0 HA PRO A 68 10.893 -7.840 -4.122 1.00 0.00 H new ATOM 0 HB2 PRO A 68 10.173 -5.204 -4.632 1.00 0.00 H new ATOM 0 HB3 PRO A 68 9.790 -5.955 -3.095 1.00 0.00 H new ATOM 0 HG2 PRO A 68 12.077 -4.121 -3.790 1.00 0.00 H new ATOM 0 HG3 PRO A 68 11.058 -4.118 -2.364 1.00 0.00 H new ATOM 0 HD2 PRO A 68 13.552 -5.211 -2.332 1.00 0.00 H new ATOM 0 HD3 PRO A 68 12.260 -5.849 -1.334 1.00 0.00 H new ATOM 1101 N ASN A 69 12.601 -5.652 -5.874 1.00 0.00 N ATOM 1102 CA ASN A 69 13.129 -5.404 -7.210 1.00 0.00 C ATOM 1103 C ASN A 69 14.068 -6.526 -7.641 1.00 0.00 C ATOM 1104 O ASN A 69 14.297 -6.737 -8.833 1.00 0.00 O ATOM 1105 CB ASN A 69 13.867 -4.064 -7.249 1.00 0.00 C ATOM 1106 CG ASN A 69 14.866 -3.920 -6.117 1.00 0.00 C ATOM 1107 OD1 ASN A 69 14.560 -3.341 -5.075 1.00 0.00 O ATOM 1108 ND2 ASN A 69 16.068 -4.449 -6.318 1.00 0.00 N ATOM 0 H ASN A 69 12.778 -4.903 -5.205 1.00 0.00 H new ATOM 0 HA ASN A 69 12.289 -5.370 -7.904 1.00 0.00 H new ATOM 0 HB2 ASN A 69 14.386 -3.966 -8.202 1.00 0.00 H new ATOM 0 HB3 ASN A 69 13.142 -3.252 -7.196 1.00 0.00 H new ATOM 0 HD21 ASN A 69 16.782 -4.384 -5.592 1.00 0.00 H new ATOM 0 HD22 ASN A 69 16.277 -4.920 -7.198 1.00 0.00 H new ATOM 1115 N THR A 70 14.609 -7.246 -6.663 1.00 0.00 N ATOM 1116 CA THR A 70 15.523 -8.347 -6.940 1.00 0.00 C ATOM 1117 C THR A 70 14.777 -9.554 -7.497 1.00 0.00 C ATOM 1118 O THR A 70 13.629 -9.810 -7.133 1.00 0.00 O ATOM 1119 CB THR A 70 16.291 -8.772 -5.674 1.00 0.00 C ATOM 1120 OG1 THR A 70 17.096 -7.686 -5.202 1.00 0.00 O ATOM 1121 CG2 THR A 70 17.174 -9.979 -5.956 1.00 0.00 C ATOM 0 H THR A 70 14.430 -7.086 -5.672 1.00 0.00 H new ATOM 0 HA THR A 70 16.234 -7.988 -7.684 1.00 0.00 H new ATOM 0 HB THR A 70 15.564 -9.044 -4.909 1.00 0.00 H new ATOM 0 HG1 THR A 70 17.697 -8.006 -4.498 1.00 0.00 H new ATOM 0 HG21 THR A 70 17.706 -10.261 -5.047 1.00 0.00 H new ATOM 0 HG22 THR A 70 16.555 -10.813 -6.287 1.00 0.00 H new ATOM 0 HG23 THR A 70 17.894 -9.729 -6.735 1.00 0.00 H new ATOM 1129 N LYS A 71 15.437 -10.295 -8.381 1.00 0.00 N ATOM 1130 CA LYS A 71 14.837 -11.477 -8.988 1.00 0.00 C ATOM 1131 C LYS A 71 15.232 -12.739 -8.227 1.00 0.00 C ATOM 1132 O LYS A 71 16.333 -12.827 -7.683 1.00 0.00 O ATOM 1133 CB LYS A 71 15.265 -11.597 -10.452 1.00 0.00 C ATOM 1134 CG LYS A 71 16.770 -11.692 -10.641 1.00 0.00 C ATOM 1135 CD LYS A 71 17.384 -10.330 -10.920 1.00 0.00 C ATOM 1136 CE LYS A 71 18.151 -10.324 -12.233 1.00 0.00 C ATOM 1137 NZ LYS A 71 19.592 -10.643 -12.034 1.00 0.00 N ATOM 0 H LYS A 71 16.388 -10.098 -8.693 1.00 0.00 H new ATOM 0 HA LYS A 71 13.753 -11.369 -8.940 1.00 0.00 H new ATOM 0 HB2 LYS A 71 14.796 -12.479 -10.888 1.00 0.00 H new ATOM 0 HB3 LYS A 71 14.892 -10.733 -11.003 1.00 0.00 H new ATOM 0 HG2 LYS A 71 17.224 -12.120 -9.747 1.00 0.00 H new ATOM 0 HG3 LYS A 71 16.992 -12.368 -11.467 1.00 0.00 H new ATOM 0 HD2 LYS A 71 16.598 -9.575 -10.953 1.00 0.00 H new ATOM 0 HD3 LYS A 71 18.054 -10.058 -10.105 1.00 0.00 H new ATOM 0 HE2 LYS A 71 17.709 -11.050 -12.915 1.00 0.00 H new ATOM 0 HE3 LYS A 71 18.057 -9.346 -12.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 20.081 -10.629 -12.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 20.020 -9.936 -11.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 19.683 -11.587 -11.608 1.00 0.00 H new ATOM 1151 N ILE A 72 14.328 -13.712 -8.194 1.00 0.00 N ATOM 1152 CA ILE A 72 14.585 -14.969 -7.502 1.00 0.00 C ATOM 1153 C ILE A 72 14.614 -16.139 -8.480 1.00 0.00 C ATOM 1154 O ILE A 72 14.026 -16.074 -9.559 1.00 0.00 O ATOM 1155 CB ILE A 72 13.522 -15.244 -6.422 1.00 0.00 C ATOM 1156 CG1 ILE A 72 12.501 -14.105 -6.379 1.00 0.00 C ATOM 1157 CG2 ILE A 72 14.182 -15.424 -5.063 1.00 0.00 C ATOM 1158 CD1 ILE A 72 11.469 -14.261 -5.284 1.00 0.00 C ATOM 0 H ILE A 72 13.412 -13.654 -8.638 1.00 0.00 H new ATOM 0 HA ILE A 72 15.560 -14.873 -7.025 1.00 0.00 H new ATOM 0 HB ILE A 72 12.998 -16.166 -6.674 1.00 0.00 H new ATOM 0 HG12 ILE A 72 13.027 -13.161 -6.239 1.00 0.00 H new ATOM 0 HG13 ILE A 72 11.992 -14.047 -7.341 1.00 0.00 H new ATOM 0 HG21 ILE A 72 13.418 -15.618 -4.310 1.00 0.00 H new ATOM 0 HG22 ILE A 72 14.873 -16.266 -5.103 1.00 0.00 H new ATOM 0 HG23 ILE A 72 14.728 -14.518 -4.801 1.00 0.00 H new ATOM 0 HD11 ILE A 72 10.778 -13.418 -5.313 1.00 0.00 H new ATOM 0 HD12 ILE A 72 10.917 -15.189 -5.434 1.00 0.00 H new ATOM 0 HD13 ILE A 72 11.968 -14.289 -4.315 1.00 0.00 H new ATOM 1170 N MET A 73 15.302 -17.209 -8.094 1.00 0.00 N ATOM 1171 CA MET A 73 15.405 -18.395 -8.936 1.00 0.00 C ATOM 1172 C MET A 73 14.414 -19.466 -8.491 1.00 0.00 C ATOM 1173 O MET A 73 14.186 -19.655 -7.296 1.00 0.00 O ATOM 1174 CB MET A 73 16.829 -18.953 -8.895 1.00 0.00 C ATOM 1175 CG MET A 73 17.732 -18.395 -9.983 1.00 0.00 C ATOM 1176 SD MET A 73 19.234 -19.367 -10.207 1.00 0.00 S ATOM 1177 CE MET A 73 20.478 -18.079 -10.187 1.00 0.00 C ATOM 0 H MET A 73 15.796 -17.279 -7.204 1.00 0.00 H new ATOM 0 HA MET A 73 15.165 -18.106 -9.959 1.00 0.00 H new ATOM 0 HB2 MET A 73 17.268 -18.734 -7.922 1.00 0.00 H new ATOM 0 HB3 MET A 73 16.788 -20.038 -8.989 1.00 0.00 H new ATOM 0 HG2 MET A 73 17.182 -18.361 -10.924 1.00 0.00 H new ATOM 0 HG3 MET A 73 18.002 -17.369 -9.734 1.00 0.00 H new ATOM 0 HE1 MET A 73 21.465 -18.524 -10.315 1.00 0.00 H new ATOM 0 HE2 MET A 73 20.288 -17.377 -10.999 1.00 0.00 H new ATOM 0 HE3 MET A 73 20.439 -17.551 -9.234 1.00 0.00 H new ATOM 1187 N MET A 74 13.829 -20.163 -9.459 1.00 0.00 N ATOM 1188 CA MET A 74 12.863 -21.215 -9.165 1.00 0.00 C ATOM 1189 C MET A 74 13.497 -22.594 -9.319 1.00 0.00 C ATOM 1190 O MET A 74 13.921 -22.974 -10.410 1.00 0.00 O ATOM 1191 CB MET A 74 11.648 -21.094 -10.087 1.00 0.00 C ATOM 1192 CG MET A 74 10.543 -20.215 -9.524 1.00 0.00 C ATOM 1193 SD MET A 74 9.047 -20.250 -10.530 1.00 0.00 S ATOM 1194 CE MET A 74 7.907 -21.064 -9.413 1.00 0.00 C ATOM 0 H MET A 74 14.007 -20.019 -10.453 1.00 0.00 H new ATOM 0 HA MET A 74 12.539 -21.097 -8.131 1.00 0.00 H new ATOM 0 HB2 MET A 74 11.969 -20.689 -11.047 1.00 0.00 H new ATOM 0 HB3 MET A 74 11.247 -22.089 -10.279 1.00 0.00 H new ATOM 0 HG2 MET A 74 10.304 -20.542 -8.512 1.00 0.00 H new ATOM 0 HG3 MET A 74 10.903 -19.189 -9.450 1.00 0.00 H new ATOM 0 HE1 MET A 74 6.883 -20.823 -9.699 1.00 0.00 H new ATOM 0 HE2 MET A 74 8.054 -22.143 -9.465 1.00 0.00 H new ATOM 0 HE3 MET A 74 8.089 -20.722 -8.394 1.00 0.00 H new ATOM 1204 N MET A 75 13.559 -23.338 -8.220 1.00 0.00 N ATOM 1205 CA MET A 75 14.141 -24.675 -8.235 1.00 0.00 C ATOM 1206 C MET A 75 13.076 -25.735 -7.968 1.00 0.00 C ATOM 1207 O MET A 75 12.548 -25.832 -6.861 1.00 0.00 O ATOM 1208 CB MET A 75 15.255 -24.781 -7.192 1.00 0.00 C ATOM 1209 CG MET A 75 16.286 -23.668 -7.288 1.00 0.00 C ATOM 1210 SD MET A 75 17.974 -24.265 -7.076 1.00 0.00 S ATOM 1211 CE MET A 75 18.632 -24.013 -8.723 1.00 0.00 C ATOM 0 H MET A 75 13.214 -23.038 -7.308 1.00 0.00 H new ATOM 0 HA MET A 75 14.562 -24.850 -9.225 1.00 0.00 H new ATOM 0 HB2 MET A 75 14.812 -24.769 -6.196 1.00 0.00 H new ATOM 0 HB3 MET A 75 15.758 -25.741 -7.306 1.00 0.00 H new ATOM 0 HG2 MET A 75 16.197 -23.178 -8.258 1.00 0.00 H new ATOM 0 HG3 MET A 75 16.073 -22.915 -6.530 1.00 0.00 H new ATOM 0 HE1 MET A 75 19.673 -24.336 -8.752 1.00 0.00 H new ATOM 0 HE2 MET A 75 18.051 -24.594 -9.440 1.00 0.00 H new ATOM 0 HE3 MET A 75 18.573 -22.955 -8.980 1.00 0.00 H new ATOM 1221 N GLY A 76 12.766 -26.527 -8.990 1.00 0.00 N ATOM 1222 CA GLY A 76 11.765 -27.568 -8.845 1.00 0.00 C ATOM 1223 C GLY A 76 11.237 -28.054 -10.179 1.00 0.00 C ATOM 1224 O GLY A 76 11.931 -27.984 -11.194 1.00 0.00 O ATOM 0 H GLY A 76 13.190 -26.466 -9.916 1.00 0.00 H new ATOM 0 HA2 GLY A 76 12.195 -28.408 -8.300 1.00 0.00 H new ATOM 0 HA3 GLY A 76 10.937 -27.190 -8.246 1.00 0.00 H new ATOM 1228 N THR A 77 10.004 -28.552 -10.180 1.00 0.00 N ATOM 1229 CA THR A 77 9.384 -29.055 -11.399 1.00 0.00 C ATOM 1230 C THR A 77 7.939 -28.582 -11.517 1.00 0.00 C ATOM 1231 O THR A 77 7.287 -28.293 -10.513 1.00 0.00 O ATOM 1232 CB THR A 77 9.414 -30.594 -11.451 1.00 0.00 C ATOM 1233 OG1 THR A 77 9.238 -31.042 -12.800 1.00 0.00 O ATOM 1234 CG2 THR A 77 8.326 -31.186 -10.568 1.00 0.00 C ATOM 0 H THR A 77 9.415 -28.618 -9.350 1.00 0.00 H new ATOM 0 HA THR A 77 9.962 -28.659 -12.234 1.00 0.00 H new ATOM 0 HB THR A 77 10.383 -30.930 -11.081 1.00 0.00 H new ATOM 0 HG1 THR A 77 9.260 -32.021 -12.825 1.00 0.00 H new ATOM 0 HG21 THR A 77 8.367 -32.274 -10.621 1.00 0.00 H new ATOM 0 HG22 THR A 77 8.480 -30.867 -9.537 1.00 0.00 H new ATOM 0 HG23 THR A 77 7.351 -30.842 -10.912 1.00 0.00 H new ATOM 1242 N ARG A 78 7.445 -28.506 -12.748 1.00 0.00 N ATOM 1243 CA ARG A 78 6.077 -28.067 -12.996 1.00 0.00 C ATOM 1244 C ARG A 78 5.210 -29.231 -13.470 1.00 0.00 C ATOM 1245 O ARG A 78 5.671 -30.098 -14.211 1.00 0.00 O ATOM 1246 CB ARG A 78 6.059 -26.947 -14.038 1.00 0.00 C ATOM 1247 CG ARG A 78 6.618 -27.362 -15.389 1.00 0.00 C ATOM 1248 CD ARG A 78 8.120 -27.135 -15.463 1.00 0.00 C ATOM 1249 NE ARG A 78 8.795 -28.184 -16.222 1.00 0.00 N ATOM 1250 CZ ARG A 78 8.671 -28.337 -17.535 1.00 0.00 C ATOM 1251 NH1 ARG A 78 7.901 -27.513 -18.232 1.00 0.00 N ATOM 1252 NH2 ARG A 78 9.318 -29.316 -18.155 1.00 0.00 N ATOM 0 H ARG A 78 7.971 -28.743 -13.589 1.00 0.00 H new ATOM 0 HA ARG A 78 5.668 -27.689 -12.059 1.00 0.00 H new ATOM 0 HB2 ARG A 78 5.034 -26.601 -14.169 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.635 -26.102 -13.660 1.00 0.00 H new ATOM 0 HG2 ARG A 78 6.399 -28.415 -15.567 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.124 -26.795 -16.178 1.00 0.00 H new ATOM 0 HD2 ARG A 78 8.318 -26.168 -15.926 1.00 0.00 H new ATOM 0 HD3 ARG A 78 8.531 -27.096 -14.454 1.00 0.00 H new ATOM 0 HE ARG A 78 9.395 -28.835 -15.716 1.00 0.00 H new ATOM 0 HH11 ARG A 78 7.402 -26.759 -17.760 1.00 0.00 H new ATOM 0 HH12 ARG A 78 7.808 -27.633 -19.241 1.00 0.00 H new ATOM 0 HH21 ARG A 78 9.912 -29.952 -17.623 1.00 0.00 H new ATOM 0 HH22 ARG A 78 9.222 -29.432 -19.164 1.00 0.00 H new ATOM 1266 N GLU A 79 3.954 -29.241 -13.037 1.00 0.00 N ATOM 1267 CA GLU A 79 3.024 -30.298 -13.416 1.00 0.00 C ATOM 1268 C GLU A 79 2.511 -30.088 -14.837 1.00 0.00 C ATOM 1269 O GLU A 79 2.821 -29.084 -15.477 1.00 0.00 O ATOM 1270 CB GLU A 79 1.847 -30.348 -12.439 1.00 0.00 C ATOM 1271 CG GLU A 79 2.239 -30.778 -11.035 1.00 0.00 C ATOM 1272 CD GLU A 79 2.524 -32.264 -10.938 1.00 0.00 C ATOM 1273 OE1 GLU A 79 1.568 -33.060 -11.044 1.00 0.00 O ATOM 1274 OE2 GLU A 79 3.704 -32.631 -10.757 1.00 0.00 O ATOM 0 H GLU A 79 3.557 -28.529 -12.424 1.00 0.00 H new ATOM 0 HA GLU A 79 3.559 -31.247 -13.378 1.00 0.00 H new ATOM 0 HB2 GLU A 79 1.383 -29.363 -12.392 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.095 -31.037 -12.824 1.00 0.00 H new ATOM 0 HG2 GLU A 79 3.122 -30.221 -10.722 1.00 0.00 H new ATOM 0 HG3 GLU A 79 1.438 -30.520 -10.343 1.00 0.00 H new ATOM 1281 N GLU A 80 1.724 -31.042 -15.324 1.00 0.00 N ATOM 1282 CA GLU A 80 1.169 -30.962 -16.670 1.00 0.00 C ATOM 1283 C GLU A 80 0.382 -29.668 -16.857 1.00 0.00 C ATOM 1284 O GLU A 80 -0.167 -29.119 -15.902 1.00 0.00 O ATOM 1285 CB GLU A 80 0.266 -32.166 -16.946 1.00 0.00 C ATOM 1286 CG GLU A 80 -0.861 -32.324 -15.939 1.00 0.00 C ATOM 1287 CD GLU A 80 -2.052 -33.070 -16.510 1.00 0.00 C ATOM 1288 OE1 GLU A 80 -1.859 -34.189 -17.029 1.00 0.00 O ATOM 1289 OE2 GLU A 80 -3.178 -32.533 -16.436 1.00 0.00 O ATOM 0 H GLU A 80 1.456 -31.879 -14.807 1.00 0.00 H new ATOM 0 HA GLU A 80 1.997 -30.969 -17.378 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -0.161 -32.068 -17.944 1.00 0.00 H new ATOM 0 HB3 GLU A 80 0.872 -33.072 -16.946 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -0.489 -32.856 -15.063 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -1.182 -31.339 -15.601 1.00 0.00 H new ATOM 1296 N SER A 81 0.333 -29.186 -18.095 1.00 0.00 N ATOM 1297 CA SER A 81 -0.383 -27.955 -18.408 1.00 0.00 C ATOM 1298 C SER A 81 -1.824 -28.252 -18.813 1.00 0.00 C ATOM 1299 O SER A 81 -2.418 -27.524 -19.606 1.00 0.00 O ATOM 1300 CB SER A 81 0.329 -27.198 -19.531 1.00 0.00 C ATOM 1301 OG SER A 81 0.859 -28.093 -20.493 1.00 0.00 O ATOM 0 H SER A 81 0.781 -29.629 -18.897 1.00 0.00 H new ATOM 0 HA SER A 81 -0.397 -27.334 -17.512 1.00 0.00 H new ATOM 0 HB2 SER A 81 -0.370 -26.514 -20.012 1.00 0.00 H new ATOM 0 HB3 SER A 81 1.132 -26.591 -19.113 1.00 0.00 H new ATOM 0 HG SER A 81 1.307 -27.585 -21.201 1.00 0.00 H new TER 1307 SER A 81