USER MOD reduce.3.24.130724 H: found=0, std=0, add=692, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 692 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 44 ASN : amide:sc= -4.33! C(o=-3.1!,f=-9.9!) USER MOD Set 1.2: A 65 SER OG : rot 59:sc= 1.22 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= -0.254 X(o=-0.25,f=-0.28) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 16 SER OG : rot -30:sc= 0.841 USER MOD Single : A 18 GLN : amide:sc= -0.0604 K(o=-0.06,f=-1.4!) USER MOD Single : A 22 SER OG : rot 63:sc= 0.467 USER MOD Single : A 24 TYR OH : rot 180:sc= -2.41! USER MOD Single : A 27 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -139:sc= -5.47! (180deg=-7.95!) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 30:sc= -0.977 USER MOD Single : A 52 LYS NZ :NH3+ -116:sc= -0.394 (180deg=-1.79!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -99:sc=-0.00618 (180deg=-0.0261) USER MOD Single : A 58 THR OG1 : rot 147:sc= 0.0239 USER MOD Single : A 60 THR OG1 : rot -98:sc= 0.104! USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.196 K(o=-0.2,f=-1.9!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 HIS :FLIP no HD1:sc= -0.652 F(o=-2.7,f=-0.65) USER MOD Single : A 69 GLN : amide:sc= -0.222 K(o=-0.22,f=-2.6!) USER MOD Single : A 75 LYS NZ :NH3+ -105:sc= -0.874 (180deg=-4.18!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 22.814 12.204 16.937 1.00 0.00 N ATOM 2 CA MET A 1 22.924 10.832 16.376 1.00 0.00 C ATOM 3 C MET A 1 21.564 10.142 16.336 1.00 0.00 C ATOM 4 O MET A 1 21.133 9.541 17.320 1.00 0.00 O ATOM 5 CB MET A 1 23.898 10.029 17.240 1.00 0.00 C ATOM 6 CG MET A 1 25.355 10.216 16.848 1.00 0.00 C ATOM 7 SD MET A 1 26.471 10.126 18.261 1.00 0.00 S ATOM 8 CE MET A 1 27.210 8.515 18.008 1.00 0.00 C ATOM 0 H1 MET A 1 23.754 12.649 16.952 1.00 0.00 H new ATOM 0 H2 MET A 1 22.172 12.770 16.346 1.00 0.00 H new ATOM 0 H3 MET A 1 22.439 12.154 17.906 1.00 0.00 H new ATOM 0 HA MET A 1 23.292 10.893 15.352 1.00 0.00 H new ATOM 0 HB2 MET A 1 23.771 10.320 18.283 1.00 0.00 H new ATOM 0 HB3 MET A 1 23.645 8.971 17.171 1.00 0.00 H new ATOM 0 HG2 MET A 1 25.633 9.452 16.121 1.00 0.00 H new ATOM 0 HG3 MET A 1 25.474 11.182 16.357 1.00 0.00 H new ATOM 0 HE1 MET A 1 27.926 8.314 18.805 1.00 0.00 H new ATOM 0 HE2 MET A 1 26.432 7.752 18.019 1.00 0.00 H new ATOM 0 HE3 MET A 1 27.723 8.497 17.046 1.00 0.00 H new ATOM 20 N ASP A 2 20.894 10.231 15.192 1.00 0.00 N ATOM 21 CA ASP A 2 19.583 9.616 15.024 1.00 0.00 C ATOM 22 C ASP A 2 19.663 8.103 15.209 1.00 0.00 C ATOM 23 O ASP A 2 19.866 7.360 14.249 1.00 0.00 O ATOM 24 CB ASP A 2 19.016 9.947 13.646 1.00 0.00 C ATOM 25 CG ASP A 2 17.726 10.740 13.726 1.00 0.00 C ATOM 26 OD1 ASP A 2 16.667 10.128 13.980 1.00 0.00 O ATOM 27 OD2 ASP A 2 17.775 11.973 13.534 1.00 0.00 O ATOM 0 H ASP A 2 21.238 10.723 14.367 1.00 0.00 H new ATOM 0 HA ASP A 2 18.918 10.020 15.787 1.00 0.00 H new ATOM 0 HB2 ASP A 2 19.754 10.515 13.080 1.00 0.00 H new ATOM 0 HB3 ASP A 2 18.837 9.022 13.098 1.00 0.00 H new ATOM 32 N ASN A 3 19.502 7.655 16.450 1.00 0.00 N ATOM 33 CA ASN A 3 19.554 6.241 16.767 1.00 0.00 C ATOM 34 C ASN A 3 18.463 5.467 16.032 1.00 0.00 C ATOM 35 O ASN A 3 18.558 4.251 15.863 1.00 0.00 O ATOM 36 CB ASN A 3 19.409 6.048 18.275 1.00 0.00 C ATOM 37 CG ASN A 3 18.276 6.868 18.863 1.00 0.00 C ATOM 38 OD1 ASN A 3 18.496 7.940 19.425 1.00 0.00 O ATOM 39 ND2 ASN A 3 17.053 6.364 18.735 1.00 0.00 N ATOM 0 H ASN A 3 19.334 8.259 17.254 1.00 0.00 H new ATOM 0 HA ASN A 3 20.518 5.852 16.440 1.00 0.00 H new ATOM 0 HB2 ASN A 3 19.237 4.993 18.487 1.00 0.00 H new ATOM 0 HB3 ASN A 3 20.343 6.323 18.764 1.00 0.00 H new ATOM 0 HD21 ASN A 3 16.251 6.870 19.111 1.00 0.00 H new ATOM 0 HD22 ASN A 3 16.916 5.471 18.261 1.00 0.00 H new ATOM 46 N ASP A 4 17.428 6.178 15.597 1.00 0.00 N ATOM 47 CA ASP A 4 16.321 5.556 14.880 1.00 0.00 C ATOM 48 C ASP A 4 16.795 4.915 13.578 1.00 0.00 C ATOM 49 O ASP A 4 16.122 4.047 13.022 1.00 0.00 O ATOM 50 CB ASP A 4 15.232 6.587 14.592 1.00 0.00 C ATOM 51 CG ASP A 4 13.918 6.246 15.268 1.00 0.00 C ATOM 52 OD1 ASP A 4 13.108 5.518 14.657 1.00 0.00 O ATOM 53 OD2 ASP A 4 13.699 6.708 16.407 1.00 0.00 O ATOM 0 H ASP A 4 17.333 7.185 15.728 1.00 0.00 H new ATOM 0 HA ASP A 4 15.910 4.770 15.514 1.00 0.00 H new ATOM 0 HB2 ASP A 4 15.567 7.568 14.929 1.00 0.00 H new ATOM 0 HB3 ASP A 4 15.076 6.656 13.515 1.00 0.00 H new ATOM 58 N ALA A 5 17.955 5.350 13.095 1.00 0.00 N ATOM 59 CA ALA A 5 18.515 4.823 11.862 1.00 0.00 C ATOM 60 C ALA A 5 19.485 3.676 12.133 1.00 0.00 C ATOM 61 O ALA A 5 20.370 3.398 11.324 1.00 0.00 O ATOM 62 CB ALA A 5 19.209 5.931 11.084 1.00 0.00 C ATOM 0 H ALA A 5 18.524 6.068 13.543 1.00 0.00 H new ATOM 0 HA ALA A 5 17.694 4.428 11.264 1.00 0.00 H new ATOM 0 HB1 ALA A 5 19.624 5.523 10.162 1.00 0.00 H new ATOM 0 HB2 ALA A 5 18.488 6.712 10.843 1.00 0.00 H new ATOM 0 HB3 ALA A 5 20.012 6.352 11.689 1.00 0.00 H new ATOM 68 N GLU A 6 19.317 3.014 13.275 1.00 0.00 N ATOM 69 CA GLU A 6 20.180 1.902 13.646 1.00 0.00 C ATOM 70 C GLU A 6 19.546 0.566 13.304 1.00 0.00 C ATOM 71 O GLU A 6 19.915 -0.477 13.843 1.00 0.00 O ATOM 72 CB GLU A 6 20.481 1.952 15.132 1.00 0.00 C ATOM 73 CG GLU A 6 21.616 2.895 15.499 1.00 0.00 C ATOM 74 CD GLU A 6 22.965 2.204 15.514 1.00 0.00 C ATOM 75 OE1 GLU A 6 23.379 1.687 14.455 1.00 0.00 O ATOM 76 OE2 GLU A 6 23.608 2.180 16.585 1.00 0.00 O ATOM 0 H GLU A 6 18.591 3.230 13.958 1.00 0.00 H new ATOM 0 HA GLU A 6 21.105 1.997 13.077 1.00 0.00 H new ATOM 0 HB2 GLU A 6 19.581 2.258 15.665 1.00 0.00 H new ATOM 0 HB3 GLU A 6 20.730 0.948 15.476 1.00 0.00 H new ATOM 0 HG2 GLU A 6 21.642 3.720 14.787 1.00 0.00 H new ATOM 0 HG3 GLU A 6 21.422 3.327 16.481 1.00 0.00 H new ATOM 83 N GLY A 7 18.594 0.619 12.405 1.00 0.00 N ATOM 84 CA GLY A 7 17.894 -0.576 11.974 1.00 0.00 C ATOM 85 C GLY A 7 16.916 -1.083 13.015 1.00 0.00 C ATOM 86 O GLY A 7 16.687 -2.288 13.127 1.00 0.00 O ATOM 0 H GLY A 7 18.282 1.479 11.953 1.00 0.00 H new ATOM 0 HA2 GLY A 7 17.358 -0.365 11.049 1.00 0.00 H new ATOM 0 HA3 GLY A 7 18.620 -1.358 11.751 1.00 0.00 H new ATOM 90 N VAL A 8 16.338 -0.163 13.780 1.00 0.00 N ATOM 91 CA VAL A 8 15.380 -0.523 14.818 1.00 0.00 C ATOM 92 C VAL A 8 14.164 -1.234 14.229 1.00 0.00 C ATOM 93 O VAL A 8 13.433 -1.925 14.939 1.00 0.00 O ATOM 94 CB VAL A 8 14.911 0.718 15.604 1.00 0.00 C ATOM 95 CG1 VAL A 8 14.201 1.701 14.684 1.00 0.00 C ATOM 96 CG2 VAL A 8 14.010 0.312 16.760 1.00 0.00 C ATOM 0 H VAL A 8 16.517 0.838 13.700 1.00 0.00 H new ATOM 0 HA VAL A 8 15.893 -1.202 15.499 1.00 0.00 H new ATOM 0 HB VAL A 8 15.790 1.214 16.016 1.00 0.00 H new ATOM 0 HG11 VAL A 8 13.878 2.569 15.259 1.00 0.00 H new ATOM 0 HG12 VAL A 8 14.884 2.020 13.897 1.00 0.00 H new ATOM 0 HG13 VAL A 8 13.332 1.218 14.237 1.00 0.00 H new ATOM 0 HG21 VAL A 8 13.690 1.202 17.302 1.00 0.00 H new ATOM 0 HG22 VAL A 8 13.136 -0.211 16.373 1.00 0.00 H new ATOM 0 HG23 VAL A 8 14.558 -0.346 17.435 1.00 0.00 H new ATOM 106 N TRP A 9 13.952 -1.059 12.929 1.00 0.00 N ATOM 107 CA TRP A 9 12.832 -1.678 12.245 1.00 0.00 C ATOM 108 C TRP A 9 12.922 -3.199 12.314 1.00 0.00 C ATOM 109 O TRP A 9 13.850 -3.751 12.906 1.00 0.00 O ATOM 110 CB TRP A 9 12.804 -1.220 10.788 1.00 0.00 C ATOM 111 CG TRP A 9 14.148 -1.240 10.125 1.00 0.00 C ATOM 112 CD1 TRP A 9 15.106 -2.206 10.243 1.00 0.00 C ATOM 113 CD2 TRP A 9 14.684 -0.247 9.243 1.00 0.00 C ATOM 114 NE1 TRP A 9 16.204 -1.875 9.487 1.00 0.00 N ATOM 115 CE2 TRP A 9 15.970 -0.677 8.864 1.00 0.00 C ATOM 116 CE3 TRP A 9 14.201 0.962 8.736 1.00 0.00 C ATOM 117 CZ2 TRP A 9 16.777 0.060 8.001 1.00 0.00 C ATOM 118 CZ3 TRP A 9 15.004 1.693 7.880 1.00 0.00 C ATOM 119 CH2 TRP A 9 16.279 1.240 7.520 1.00 0.00 C ATOM 0 H TRP A 9 14.548 -0.489 12.328 1.00 0.00 H new ATOM 0 HA TRP A 9 11.911 -1.371 12.741 1.00 0.00 H new ATOM 0 HB2 TRP A 9 12.123 -1.861 10.228 1.00 0.00 H new ATOM 0 HB3 TRP A 9 12.401 -0.208 10.742 1.00 0.00 H new ATOM 0 HD1 TRP A 9 15.014 -3.099 10.843 1.00 0.00 H new ATOM 0 HE1 TRP A 9 17.055 -2.431 9.403 1.00 0.00 H new ATOM 0 HE3 TRP A 9 13.219 1.319 9.008 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 17.761 -0.287 7.721 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 14.642 2.629 7.482 1.00 0.00 H new ATOM 0 HH2 TRP A 9 16.882 1.834 6.849 1.00 0.00 H new ATOM 130 N SER A 10 11.951 -3.872 11.704 1.00 0.00 N ATOM 131 CA SER A 10 11.918 -5.324 11.692 1.00 0.00 C ATOM 132 C SER A 10 11.565 -5.850 10.303 1.00 0.00 C ATOM 133 O SER A 10 10.887 -5.175 9.528 1.00 0.00 O ATOM 134 CB SER A 10 10.914 -5.844 12.722 1.00 0.00 C ATOM 135 OG SER A 10 11.504 -5.942 14.006 1.00 0.00 O ATOM 0 H SER A 10 11.175 -3.430 11.211 1.00 0.00 H new ATOM 0 HA SER A 10 12.912 -5.686 11.954 1.00 0.00 H new ATOM 0 HB2 SER A 10 10.053 -5.177 12.764 1.00 0.00 H new ATOM 0 HB3 SER A 10 10.545 -6.822 12.413 1.00 0.00 H new ATOM 0 HG SER A 10 10.841 -6.275 14.646 1.00 0.00 H new ATOM 141 N PRO A 11 12.023 -7.069 9.968 1.00 0.00 N ATOM 142 CA PRO A 11 11.752 -7.685 8.665 1.00 0.00 C ATOM 143 C PRO A 11 10.276 -8.010 8.466 1.00 0.00 C ATOM 144 O PRO A 11 9.817 -8.192 7.338 1.00 0.00 O ATOM 145 CB PRO A 11 12.584 -8.967 8.690 1.00 0.00 C ATOM 146 CG PRO A 11 12.763 -9.271 10.134 1.00 0.00 C ATOM 147 CD PRO A 11 12.838 -7.942 10.830 1.00 0.00 C ATOM 0 HA PRO A 11 12.006 -7.015 7.844 1.00 0.00 H new ATOM 0 HB2 PRO A 11 12.074 -9.780 8.174 1.00 0.00 H new ATOM 0 HB3 PRO A 11 13.544 -8.826 8.193 1.00 0.00 H new ATOM 0 HG2 PRO A 11 11.931 -9.864 10.514 1.00 0.00 H new ATOM 0 HG3 PRO A 11 13.671 -9.851 10.301 1.00 0.00 H new ATOM 0 HD2 PRO A 11 12.440 -7.994 11.843 1.00 0.00 H new ATOM 0 HD3 PRO A 11 13.865 -7.586 10.909 1.00 0.00 H new ATOM 155 N ASP A 12 9.540 -8.082 9.567 1.00 0.00 N ATOM 156 CA ASP A 12 8.116 -8.385 9.516 1.00 0.00 C ATOM 157 C ASP A 12 7.323 -7.210 8.959 1.00 0.00 C ATOM 158 O ASP A 12 6.222 -7.383 8.434 1.00 0.00 O ATOM 159 CB ASP A 12 7.602 -8.751 10.907 1.00 0.00 C ATOM 160 CG ASP A 12 7.188 -10.206 11.008 1.00 0.00 C ATOM 161 OD1 ASP A 12 6.791 -10.784 9.974 1.00 0.00 O ATOM 162 OD2 ASP A 12 7.260 -10.768 12.122 1.00 0.00 O ATOM 0 H ASP A 12 9.906 -7.934 10.508 1.00 0.00 H new ATOM 0 HA ASP A 12 7.978 -9.236 8.849 1.00 0.00 H new ATOM 0 HB2 ASP A 12 8.379 -8.546 11.644 1.00 0.00 H new ATOM 0 HB3 ASP A 12 6.751 -8.116 11.155 1.00 0.00 H new ATOM 167 N ILE A 13 7.889 -6.017 9.073 1.00 0.00 N ATOM 168 CA ILE A 13 7.239 -4.815 8.578 1.00 0.00 C ATOM 169 C ILE A 13 7.418 -4.690 7.077 1.00 0.00 C ATOM 170 O ILE A 13 6.495 -4.311 6.355 1.00 0.00 O ATOM 171 CB ILE A 13 7.774 -3.553 9.262 1.00 0.00 C ATOM 172 CG1 ILE A 13 7.879 -3.767 10.775 1.00 0.00 C ATOM 173 CG2 ILE A 13 6.882 -2.361 8.945 1.00 0.00 C ATOM 174 CD1 ILE A 13 8.303 -2.530 11.537 1.00 0.00 C ATOM 0 H ILE A 13 8.799 -5.857 9.505 1.00 0.00 H new ATOM 0 HA ILE A 13 6.179 -4.907 8.813 1.00 0.00 H new ATOM 0 HB ILE A 13 8.773 -3.345 8.878 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.913 -4.103 11.153 1.00 0.00 H new ATOM 0 HG13 ILE A 13 8.594 -4.566 10.971 1.00 0.00 H new ATOM 0 HG21 ILE A 13 7.275 -1.472 9.438 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.860 -2.199 7.867 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.871 -2.558 9.303 1.00 0.00 H new ATOM 0 HD11 ILE A 13 8.355 -2.759 12.601 1.00 0.00 H new ATOM 0 HD12 ILE A 13 9.283 -2.205 11.187 1.00 0.00 H new ATOM 0 HD13 ILE A 13 7.577 -1.734 11.372 1.00 0.00 H new ATOM 186 N GLU A 14 8.609 -5.030 6.616 1.00 0.00 N ATOM 187 CA GLU A 14 8.919 -4.981 5.198 1.00 0.00 C ATOM 188 C GLU A 14 8.174 -6.084 4.460 1.00 0.00 C ATOM 189 O GLU A 14 7.915 -5.982 3.261 1.00 0.00 O ATOM 190 CB GLU A 14 10.426 -5.117 4.971 1.00 0.00 C ATOM 191 CG GLU A 14 10.940 -4.308 3.791 1.00 0.00 C ATOM 192 CD GLU A 14 12.454 -4.279 3.719 1.00 0.00 C ATOM 193 OE1 GLU A 14 13.065 -3.437 4.410 1.00 0.00 O ATOM 194 OE2 GLU A 14 13.028 -5.099 2.972 1.00 0.00 O ATOM 0 H GLU A 14 9.380 -5.344 7.206 1.00 0.00 H new ATOM 0 HA GLU A 14 8.598 -4.016 4.807 1.00 0.00 H new ATOM 0 HB2 GLU A 14 10.951 -4.802 5.873 1.00 0.00 H new ATOM 0 HB3 GLU A 14 10.668 -6.168 4.813 1.00 0.00 H new ATOM 0 HG2 GLU A 14 10.544 -4.729 2.867 1.00 0.00 H new ATOM 0 HG3 GLU A 14 10.564 -3.288 3.863 1.00 0.00 H new ATOM 201 N GLN A 15 7.823 -7.137 5.192 1.00 0.00 N ATOM 202 CA GLN A 15 7.100 -8.254 4.621 1.00 0.00 C ATOM 203 C GLN A 15 5.654 -7.876 4.374 1.00 0.00 C ATOM 204 O GLN A 15 5.079 -8.196 3.333 1.00 0.00 O ATOM 205 CB GLN A 15 7.189 -9.454 5.538 1.00 0.00 C ATOM 206 CG GLN A 15 8.344 -10.366 5.191 1.00 0.00 C ATOM 207 CD GLN A 15 7.989 -11.383 4.124 1.00 0.00 C ATOM 208 OE1 GLN A 15 7.025 -11.207 3.378 1.00 0.00 O ATOM 209 NE2 GLN A 15 8.768 -12.456 4.046 1.00 0.00 N ATOM 0 H GLN A 15 8.032 -7.234 6.186 1.00 0.00 H new ATOM 0 HA GLN A 15 7.553 -8.514 3.664 1.00 0.00 H new ATOM 0 HB2 GLN A 15 7.297 -9.113 6.568 1.00 0.00 H new ATOM 0 HB3 GLN A 15 6.257 -10.017 5.485 1.00 0.00 H new ATOM 0 HG2 GLN A 15 9.186 -9.764 4.848 1.00 0.00 H new ATOM 0 HG3 GLN A 15 8.671 -10.888 6.090 1.00 0.00 H new ATOM 0 HE21 GLN A 15 9.556 -12.561 4.684 1.00 0.00 H new ATOM 0 HE22 GLN A 15 8.578 -13.175 3.348 1.00 0.00 H new ATOM 218 N SER A 16 5.081 -7.169 5.333 1.00 0.00 N ATOM 219 CA SER A 16 3.707 -6.712 5.223 1.00 0.00 C ATOM 220 C SER A 16 3.573 -5.763 4.038 1.00 0.00 C ATOM 221 O SER A 16 2.481 -5.562 3.506 1.00 0.00 O ATOM 222 CB SER A 16 3.269 -6.013 6.513 1.00 0.00 C ATOM 223 OG SER A 16 1.989 -6.458 6.925 1.00 0.00 O ATOM 0 H SER A 16 5.548 -6.899 6.199 1.00 0.00 H new ATOM 0 HA SER A 16 3.061 -7.575 5.064 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.996 -6.208 7.301 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.250 -4.934 6.357 1.00 0.00 H new ATOM 0 HG SER A 16 1.460 -6.706 6.138 1.00 0.00 H new ATOM 229 N PHE A 17 4.701 -5.190 3.625 1.00 0.00 N ATOM 230 CA PHE A 17 4.727 -4.271 2.501 1.00 0.00 C ATOM 231 C PHE A 17 4.366 -4.989 1.215 1.00 0.00 C ATOM 232 O PHE A 17 3.521 -4.528 0.448 1.00 0.00 O ATOM 233 CB PHE A 17 6.104 -3.623 2.375 1.00 0.00 C ATOM 234 CG PHE A 17 6.099 -2.142 2.620 1.00 0.00 C ATOM 235 CD1 PHE A 17 5.996 -1.640 3.907 1.00 0.00 C ATOM 236 CD2 PHE A 17 6.203 -1.252 1.563 1.00 0.00 C ATOM 237 CE1 PHE A 17 5.995 -0.278 4.136 1.00 0.00 C ATOM 238 CE2 PHE A 17 6.202 0.112 1.786 1.00 0.00 C ATOM 239 CZ PHE A 17 6.098 0.599 3.074 1.00 0.00 C ATOM 0 H PHE A 17 5.611 -5.350 4.058 1.00 0.00 H new ATOM 0 HA PHE A 17 3.988 -3.490 2.680 1.00 0.00 H new ATOM 0 HB2 PHE A 17 6.785 -4.097 3.082 1.00 0.00 H new ATOM 0 HB3 PHE A 17 6.496 -3.816 1.377 1.00 0.00 H new ATOM 0 HD1 PHE A 17 5.916 -2.322 4.741 1.00 0.00 H new ATOM 0 HD2 PHE A 17 6.286 -1.628 0.554 1.00 0.00 H new ATOM 0 HE1 PHE A 17 5.914 0.101 5.144 1.00 0.00 H new ATOM 0 HE2 PHE A 17 6.282 0.796 0.954 1.00 0.00 H new ATOM 0 HZ PHE A 17 6.097 1.664 3.251 1.00 0.00 H new ATOM 249 N GLN A 18 5.004 -6.125 0.991 1.00 0.00 N ATOM 250 CA GLN A 18 4.735 -6.910 -0.202 1.00 0.00 C ATOM 251 C GLN A 18 3.324 -7.465 -0.153 1.00 0.00 C ATOM 252 O GLN A 18 2.658 -7.597 -1.177 1.00 0.00 O ATOM 253 CB GLN A 18 5.737 -8.057 -0.350 1.00 0.00 C ATOM 254 CG GLN A 18 5.298 -9.113 -1.356 1.00 0.00 C ATOM 255 CD GLN A 18 6.425 -10.042 -1.761 1.00 0.00 C ATOM 256 OE1 GLN A 18 7.600 -9.680 -1.687 1.00 0.00 O ATOM 257 NE2 GLN A 18 6.073 -11.246 -2.195 1.00 0.00 N ATOM 0 H GLN A 18 5.707 -6.522 1.614 1.00 0.00 H new ATOM 0 HA GLN A 18 4.838 -6.253 -1.066 1.00 0.00 H new ATOM 0 HB2 GLN A 18 6.701 -7.651 -0.657 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.885 -8.529 0.621 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.485 -9.700 -0.928 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.902 -8.620 -2.244 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.087 -11.504 -2.240 1.00 0.00 H new ATOM 0 HE22 GLN A 18 6.788 -11.913 -2.484 1.00 0.00 H new ATOM 266 N GLU A 19 2.879 -7.789 1.048 1.00 0.00 N ATOM 267 CA GLU A 19 1.547 -8.332 1.240 1.00 0.00 C ATOM 268 C GLU A 19 0.493 -7.284 0.937 1.00 0.00 C ATOM 269 O GLU A 19 -0.595 -7.606 0.467 1.00 0.00 O ATOM 270 CB GLU A 19 1.381 -8.865 2.661 1.00 0.00 C ATOM 271 CG GLU A 19 1.114 -10.359 2.723 1.00 0.00 C ATOM 272 CD GLU A 19 2.356 -11.185 2.449 1.00 0.00 C ATOM 273 OE1 GLU A 19 2.807 -11.211 1.285 1.00 0.00 O ATOM 274 OE2 GLU A 19 2.878 -11.806 3.399 1.00 0.00 O ATOM 0 H GLU A 19 3.421 -7.685 1.906 1.00 0.00 H new ATOM 0 HA GLU A 19 1.414 -9.162 0.546 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.283 -8.642 3.231 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.559 -8.337 3.144 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.723 -10.614 3.708 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.343 -10.617 1.997 1.00 0.00 H new ATOM 281 N ALA A 20 0.826 -6.030 1.194 1.00 0.00 N ATOM 282 CA ALA A 20 -0.092 -4.940 0.930 1.00 0.00 C ATOM 283 C ALA A 20 0.010 -4.504 -0.520 1.00 0.00 C ATOM 284 O ALA A 20 -0.977 -4.105 -1.135 1.00 0.00 O ATOM 285 CB ALA A 20 0.173 -3.772 1.868 1.00 0.00 C ATOM 0 H ALA A 20 1.724 -5.744 1.584 1.00 0.00 H new ATOM 0 HA ALA A 20 -1.108 -5.292 1.112 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.528 -2.965 1.652 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.044 -4.098 2.900 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.193 -3.415 1.725 1.00 0.00 H new ATOM 291 N LEU A 21 1.213 -4.602 -1.062 1.00 0.00 N ATOM 292 CA LEU A 21 1.455 -4.238 -2.444 1.00 0.00 C ATOM 293 C LEU A 21 1.039 -5.371 -3.374 1.00 0.00 C ATOM 294 O LEU A 21 0.708 -5.144 -4.538 1.00 0.00 O ATOM 295 CB LEU A 21 2.926 -3.884 -2.656 1.00 0.00 C ATOM 296 CG LEU A 21 3.188 -2.439 -3.085 1.00 0.00 C ATOM 297 CD1 LEU A 21 2.365 -2.089 -4.315 1.00 0.00 C ATOM 298 CD2 LEU A 21 2.881 -1.479 -1.944 1.00 0.00 C ATOM 0 H LEU A 21 2.038 -4.932 -0.562 1.00 0.00 H new ATOM 0 HA LEU A 21 0.853 -3.360 -2.679 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.467 -4.076 -1.730 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.340 -4.552 -3.411 1.00 0.00 H new ATOM 0 HG LEU A 21 4.243 -2.342 -3.340 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.565 -1.057 -4.605 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.634 -2.755 -5.135 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.305 -2.203 -4.088 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.073 -0.456 -2.268 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.834 -1.578 -1.657 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.516 -1.715 -1.090 1.00 0.00 H new ATOM 310 N SER A 22 1.050 -6.592 -2.848 1.00 0.00 N ATOM 311 CA SER A 22 0.665 -7.757 -3.624 1.00 0.00 C ATOM 312 C SER A 22 -0.846 -7.906 -3.637 1.00 0.00 C ATOM 313 O SER A 22 -1.435 -8.329 -4.632 1.00 0.00 O ATOM 314 CB SER A 22 1.314 -9.021 -3.058 1.00 0.00 C ATOM 315 OG SER A 22 2.714 -9.019 -3.279 1.00 0.00 O ATOM 0 H SER A 22 1.322 -6.796 -1.886 1.00 0.00 H new ATOM 0 HA SER A 22 1.014 -7.618 -4.647 1.00 0.00 H new ATOM 0 HB2 SER A 22 1.112 -9.090 -1.989 1.00 0.00 H new ATOM 0 HB3 SER A 22 0.870 -9.901 -3.524 1.00 0.00 H new ATOM 0 HG SER A 22 3.119 -8.265 -2.802 1.00 0.00 H new ATOM 321 N ILE A 23 -1.468 -7.550 -2.522 1.00 0.00 N ATOM 322 CA ILE A 23 -2.914 -7.637 -2.396 1.00 0.00 C ATOM 323 C ILE A 23 -3.594 -6.398 -2.978 1.00 0.00 C ATOM 324 O ILE A 23 -4.763 -6.443 -3.362 1.00 0.00 O ATOM 325 CB ILE A 23 -3.342 -7.841 -0.925 1.00 0.00 C ATOM 326 CG1 ILE A 23 -3.679 -9.312 -0.671 1.00 0.00 C ATOM 327 CG2 ILE A 23 -4.523 -6.953 -0.551 1.00 0.00 C ATOM 328 CD1 ILE A 23 -2.502 -10.126 -0.180 1.00 0.00 C ATOM 0 H ILE A 23 -0.992 -7.198 -1.691 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.236 -8.508 -2.967 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.502 -7.553 -0.293 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -4.482 -9.371 0.063 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -4.057 -9.754 -1.593 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -4.793 -7.126 0.491 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.248 -5.907 -0.685 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -5.373 -7.190 -1.191 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.814 -11.158 -0.021 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.705 -10.098 -0.923 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -2.137 -9.709 0.759 1.00 0.00 H new ATOM 340 N TYR A 24 -2.856 -5.295 -3.037 1.00 0.00 N ATOM 341 CA TYR A 24 -3.384 -4.050 -3.567 1.00 0.00 C ATOM 342 C TYR A 24 -2.590 -3.585 -4.784 1.00 0.00 C ATOM 343 O TYR A 24 -1.667 -2.779 -4.663 1.00 0.00 O ATOM 344 CB TYR A 24 -3.375 -2.971 -2.495 1.00 0.00 C ATOM 345 CG TYR A 24 -4.130 -3.351 -1.241 1.00 0.00 C ATOM 346 CD1 TYR A 24 -5.459 -3.750 -1.302 1.00 0.00 C ATOM 347 CD2 TYR A 24 -3.513 -3.313 0.003 1.00 0.00 C ATOM 348 CE1 TYR A 24 -6.153 -4.098 -0.159 1.00 0.00 C ATOM 349 CE2 TYR A 24 -4.200 -3.660 1.151 1.00 0.00 C ATOM 350 CZ TYR A 24 -5.519 -4.052 1.065 1.00 0.00 C ATOM 351 OH TYR A 24 -6.206 -4.399 2.205 1.00 0.00 O ATOM 0 H TYR A 24 -1.887 -5.241 -2.722 1.00 0.00 H new ATOM 0 HA TYR A 24 -4.412 -4.231 -3.881 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -2.342 -2.743 -2.231 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -3.808 -2.059 -2.907 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -5.958 -3.789 -2.259 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -2.480 -3.007 0.074 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -7.187 -4.404 -0.224 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -3.706 -3.624 2.111 1.00 0.00 H new ATOM 0 HH TYR A 24 -5.615 -4.313 2.982 1.00 0.00 H new ATOM 361 N PRO A 25 -2.942 -4.088 -5.980 1.00 0.00 N ATOM 362 CA PRO A 25 -2.272 -3.730 -7.220 1.00 0.00 C ATOM 363 C PRO A 25 -2.844 -2.456 -7.837 1.00 0.00 C ATOM 364 O PRO A 25 -3.839 -1.915 -7.354 1.00 0.00 O ATOM 365 CB PRO A 25 -2.532 -4.936 -8.133 1.00 0.00 C ATOM 366 CG PRO A 25 -3.559 -5.787 -7.445 1.00 0.00 C ATOM 367 CD PRO A 25 -4.022 -5.045 -6.221 1.00 0.00 C ATOM 0 HA PRO A 25 -1.213 -3.522 -7.066 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -2.891 -4.611 -9.110 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -1.614 -5.499 -8.301 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -4.398 -5.987 -8.111 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -3.134 -6.752 -7.169 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -4.974 -4.543 -6.391 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -4.162 -5.715 -5.373 1.00 0.00 H new ATOM 375 N PRO A 26 -2.220 -1.957 -8.919 1.00 0.00 N ATOM 376 CA PRO A 26 -2.672 -0.740 -9.601 1.00 0.00 C ATOM 377 C PRO A 26 -4.025 -0.915 -10.285 1.00 0.00 C ATOM 378 O PRO A 26 -4.645 0.059 -10.710 1.00 0.00 O ATOM 379 CB PRO A 26 -1.579 -0.482 -10.639 1.00 0.00 C ATOM 380 CG PRO A 26 -0.963 -1.814 -10.875 1.00 0.00 C ATOM 381 CD PRO A 26 -1.027 -2.538 -9.560 1.00 0.00 C ATOM 0 HA PRO A 26 -2.816 0.082 -8.900 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -1.995 -0.069 -11.558 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -0.845 0.235 -10.271 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -1.501 -2.361 -11.649 1.00 0.00 H new ATOM 0 HG3 PRO A 26 0.068 -1.713 -11.215 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -1.126 -3.615 -9.697 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -0.129 -2.374 -8.965 1.00 0.00 H new ATOM 389 N CYS A 27 -4.478 -2.161 -10.389 1.00 0.00 N ATOM 390 CA CYS A 27 -5.752 -2.459 -11.020 1.00 0.00 C ATOM 391 C CYS A 27 -6.709 -3.127 -10.036 1.00 0.00 C ATOM 392 O CYS A 27 -6.291 -3.630 -8.993 1.00 0.00 O ATOM 393 CB CYS A 27 -5.544 -3.351 -12.241 1.00 0.00 C ATOM 394 SG CYS A 27 -6.048 -2.592 -13.803 1.00 0.00 S ATOM 0 H CYS A 27 -3.978 -2.980 -10.042 1.00 0.00 H new ATOM 0 HA CYS A 27 -6.197 -1.518 -11.342 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -4.490 -3.622 -12.304 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -6.103 -4.276 -12.102 1.00 0.00 H new ATOM 0 HG CYS A 27 -5.831 -3.423 -14.779 1.00 0.00 H new ATOM 400 N GLY A 28 -7.994 -3.128 -10.377 1.00 0.00 N ATOM 401 CA GLY A 28 -8.990 -3.737 -9.515 1.00 0.00 C ATOM 402 C GLY A 28 -9.949 -2.721 -8.925 1.00 0.00 C ATOM 403 O GLY A 28 -10.536 -2.953 -7.868 1.00 0.00 O ATOM 0 H GLY A 28 -8.363 -2.718 -11.235 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -9.554 -4.476 -10.083 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -8.489 -4.270 -8.707 1.00 0.00 H new ATOM 407 N ARG A 29 -10.110 -1.591 -9.608 1.00 0.00 N ATOM 408 CA ARG A 29 -11.004 -0.539 -9.143 1.00 0.00 C ATOM 409 C ARG A 29 -12.456 -1.002 -9.179 1.00 0.00 C ATOM 410 O ARG A 29 -12.988 -1.331 -10.240 1.00 0.00 O ATOM 411 CB ARG A 29 -10.835 0.718 -10.000 1.00 0.00 C ATOM 412 CG ARG A 29 -10.920 2.011 -9.206 1.00 0.00 C ATOM 413 CD ARG A 29 -9.585 2.364 -8.571 1.00 0.00 C ATOM 414 NE ARG A 29 -9.153 1.355 -7.607 1.00 0.00 N ATOM 415 CZ ARG A 29 -9.701 1.197 -6.404 1.00 0.00 C ATOM 416 NH1 ARG A 29 -10.702 1.977 -6.015 1.00 0.00 N ATOM 417 NH2 ARG A 29 -9.247 0.255 -5.588 1.00 0.00 N ATOM 0 H ARG A 29 -9.633 -1.382 -10.485 1.00 0.00 H new ATOM 0 HA ARG A 29 -10.743 -0.305 -8.111 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -9.871 0.675 -10.507 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -11.602 0.726 -10.774 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -11.238 2.822 -9.862 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -11.679 1.913 -8.430 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -8.830 2.468 -9.350 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -9.665 3.330 -8.073 1.00 0.00 H new ATOM 0 HE ARG A 29 -8.387 0.735 -7.871 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -11.056 2.702 -6.639 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -11.118 1.851 -5.092 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -8.479 -0.348 -5.882 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -9.666 0.133 -4.666 1.00 0.00 H new ATOM 431 N ARG A 30 -13.094 -1.024 -8.013 1.00 0.00 N ATOM 432 CA ARG A 30 -14.481 -1.443 -7.910 1.00 0.00 C ATOM 433 C ARG A 30 -15.238 -0.583 -6.902 1.00 0.00 C ATOM 434 O ARG A 30 -14.737 -0.298 -5.814 1.00 0.00 O ATOM 435 CB ARG A 30 -14.565 -2.917 -7.510 1.00 0.00 C ATOM 436 CG ARG A 30 -14.628 -3.866 -8.696 1.00 0.00 C ATOM 437 CD ARG A 30 -14.186 -5.269 -8.311 1.00 0.00 C ATOM 438 NE ARG A 30 -12.793 -5.522 -8.672 1.00 0.00 N ATOM 439 CZ ARG A 30 -12.264 -6.739 -8.777 1.00 0.00 C ATOM 440 NH1 ARG A 30 -13.007 -7.815 -8.549 1.00 0.00 N ATOM 441 NH2 ARG A 30 -10.988 -6.881 -9.110 1.00 0.00 N ATOM 0 H ARG A 30 -12.668 -0.755 -7.126 1.00 0.00 H new ATOM 0 HA ARG A 30 -14.945 -1.315 -8.888 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -13.698 -3.169 -6.899 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -15.448 -3.067 -6.888 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -15.646 -3.898 -9.084 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -13.993 -3.490 -9.498 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -14.313 -5.407 -7.237 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -14.827 -5.999 -8.805 1.00 0.00 H new ATOM 0 HE ARG A 30 -12.191 -4.719 -8.854 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -13.989 -7.712 -8.292 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -12.596 -8.745 -8.631 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -10.412 -6.058 -9.286 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -10.583 -7.814 -9.190 1.00 0.00 H new ATOM 455 N LYS A 31 -16.447 -0.173 -7.271 1.00 0.00 N ATOM 456 CA LYS A 31 -17.273 0.654 -6.399 1.00 0.00 C ATOM 457 C LYS A 31 -17.587 -0.074 -5.096 1.00 0.00 C ATOM 458 O LYS A 31 -18.534 -0.856 -5.022 1.00 0.00 O ATOM 459 CB LYS A 31 -18.574 1.038 -7.108 1.00 0.00 C ATOM 460 CG LYS A 31 -18.358 1.799 -8.406 1.00 0.00 C ATOM 461 CD LYS A 31 -19.418 1.452 -9.438 1.00 0.00 C ATOM 462 CE LYS A 31 -18.914 0.414 -10.427 1.00 0.00 C ATOM 463 NZ LYS A 31 -19.446 0.648 -11.798 1.00 0.00 N ATOM 0 H LYS A 31 -16.877 -0.400 -8.168 1.00 0.00 H new ATOM 0 HA LYS A 31 -16.714 1.560 -6.163 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -19.144 0.133 -7.318 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -19.178 1.647 -6.436 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -18.378 2.871 -8.208 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -17.371 1.567 -8.805 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -20.308 1.074 -8.934 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -19.714 2.354 -9.974 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -17.824 0.435 -10.452 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -19.206 -0.581 -10.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -19.079 -0.081 -12.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -20.485 0.602 -11.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -19.147 1.587 -12.131 1.00 0.00 H new ATOM 477 N ILE A 32 -16.782 0.187 -4.071 1.00 0.00 N ATOM 478 CA ILE A 32 -16.964 -0.436 -2.776 1.00 0.00 C ATOM 479 C ILE A 32 -18.219 0.083 -2.082 1.00 0.00 C ATOM 480 O ILE A 32 -18.839 1.045 -2.534 1.00 0.00 O ATOM 481 CB ILE A 32 -15.746 -0.179 -1.874 1.00 0.00 C ATOM 482 CG1 ILE A 32 -15.346 1.298 -1.915 1.00 0.00 C ATOM 483 CG2 ILE A 32 -14.580 -1.063 -2.290 1.00 0.00 C ATOM 484 CD1 ILE A 32 -14.525 1.735 -0.721 1.00 0.00 C ATOM 0 H ILE A 32 -15.993 0.832 -4.119 1.00 0.00 H new ATOM 0 HA ILE A 32 -17.073 -1.507 -2.945 1.00 0.00 H new ATOM 0 HB ILE A 32 -16.018 -0.429 -0.849 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -14.777 1.487 -2.826 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -16.247 1.909 -1.969 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -13.726 -0.868 -1.641 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -14.869 -2.111 -2.205 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -14.308 -0.845 -3.323 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -14.277 2.792 -0.817 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -15.099 1.578 0.192 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -13.606 1.150 -0.677 1.00 0.00 H new ATOM 496 N ILE A 33 -18.587 -0.562 -0.979 1.00 0.00 N ATOM 497 CA ILE A 33 -19.762 -0.170 -0.220 1.00 0.00 C ATOM 498 C ILE A 33 -19.689 -0.693 1.214 1.00 0.00 C ATOM 499 O ILE A 33 -20.193 -1.773 1.521 1.00 0.00 O ATOM 500 CB ILE A 33 -21.054 -0.678 -0.890 1.00 0.00 C ATOM 501 CG1 ILE A 33 -22.286 -0.192 -0.122 1.00 0.00 C ATOM 502 CG2 ILE A 33 -21.045 -2.197 -0.987 1.00 0.00 C ATOM 503 CD1 ILE A 33 -23.417 0.261 -1.019 1.00 0.00 C ATOM 0 H ILE A 33 -18.084 -1.361 -0.593 1.00 0.00 H new ATOM 0 HA ILE A 33 -19.783 0.920 -0.198 1.00 0.00 H new ATOM 0 HB ILE A 33 -21.100 -0.272 -1.900 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -22.643 -0.996 0.522 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -21.996 0.633 0.529 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -21.965 -2.537 -1.463 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -20.189 -2.519 -1.581 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -20.974 -2.625 0.013 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -24.256 0.592 -0.407 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -23.077 1.086 -1.645 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -23.734 -0.568 -1.652 1.00 0.00 H new ATOM 515 N LEU A 34 -19.055 0.082 2.087 1.00 0.00 N ATOM 516 CA LEU A 34 -18.911 -0.301 3.486 1.00 0.00 C ATOM 517 C LEU A 34 -20.265 -0.381 4.176 1.00 0.00 C ATOM 518 O LEU A 34 -20.720 -1.458 4.560 1.00 0.00 O ATOM 519 CB LEU A 34 -18.006 0.690 4.216 1.00 0.00 C ATOM 520 CG LEU A 34 -16.718 0.092 4.784 1.00 0.00 C ATOM 521 CD1 LEU A 34 -15.622 0.085 3.729 1.00 0.00 C ATOM 522 CD2 LEU A 34 -16.270 0.866 6.015 1.00 0.00 C ATOM 0 H LEU A 34 -18.632 0.980 1.850 1.00 0.00 H new ATOM 0 HA LEU A 34 -18.455 -1.290 3.519 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -17.743 1.494 3.528 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -18.570 1.141 5.032 1.00 0.00 H new ATOM 0 HG LEU A 34 -16.917 -0.938 5.079 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -14.713 -0.344 4.151 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -15.942 -0.512 2.875 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -15.424 1.106 3.403 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -15.352 0.427 6.407 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -16.088 1.906 5.745 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -17.048 0.820 6.777 1.00 0.00 H new ATOM 534 N SER A 35 -20.896 0.769 4.327 1.00 0.00 N ATOM 535 CA SER A 35 -22.197 0.854 4.968 1.00 0.00 C ATOM 536 C SER A 35 -23.230 1.484 4.042 1.00 0.00 C ATOM 537 O SER A 35 -24.025 0.786 3.412 1.00 0.00 O ATOM 538 CB SER A 35 -22.096 1.644 6.273 1.00 0.00 C ATOM 539 OG SER A 35 -22.380 0.820 7.391 1.00 0.00 O ATOM 0 H SER A 35 -20.525 1.665 4.011 1.00 0.00 H new ATOM 0 HA SER A 35 -22.527 -0.160 5.195 1.00 0.00 H new ATOM 0 HB2 SER A 35 -21.095 2.063 6.371 1.00 0.00 H new ATOM 0 HB3 SER A 35 -22.792 2.483 6.249 1.00 0.00 H new ATOM 0 HG SER A 35 -22.307 1.348 8.213 1.00 0.00 H new ATOM 545 N ASP A 36 -23.210 2.805 3.969 1.00 0.00 N ATOM 546 CA ASP A 36 -24.138 3.543 3.130 1.00 0.00 C ATOM 547 C ASP A 36 -23.396 4.466 2.167 1.00 0.00 C ATOM 548 O ASP A 36 -23.780 4.604 1.006 1.00 0.00 O ATOM 549 CB ASP A 36 -25.106 4.355 3.992 1.00 0.00 C ATOM 550 CG ASP A 36 -26.444 4.571 3.312 1.00 0.00 C ATOM 551 OD1 ASP A 36 -26.516 5.421 2.400 1.00 0.00 O ATOM 552 OD2 ASP A 36 -27.420 3.890 3.693 1.00 0.00 O ATOM 0 H ASP A 36 -22.555 3.392 4.486 1.00 0.00 H new ATOM 0 HA ASP A 36 -24.705 2.821 2.542 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -25.262 3.841 4.940 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -24.659 5.322 4.223 1.00 0.00 H new ATOM 557 N GLU A 37 -22.333 5.099 2.657 1.00 0.00 N ATOM 558 CA GLU A 37 -21.539 6.012 1.839 1.00 0.00 C ATOM 559 C GLU A 37 -21.130 5.360 0.527 1.00 0.00 C ATOM 560 O GLU A 37 -21.531 5.794 -0.553 1.00 0.00 O ATOM 561 CB GLU A 37 -20.301 6.470 2.608 1.00 0.00 C ATOM 562 CG GLU A 37 -20.257 7.966 2.852 1.00 0.00 C ATOM 563 CD GLU A 37 -20.253 8.320 4.327 1.00 0.00 C ATOM 564 OE1 GLU A 37 -19.154 8.397 4.916 1.00 0.00 O ATOM 565 OE2 GLU A 37 -21.348 8.519 4.893 1.00 0.00 O ATOM 0 H GLU A 37 -22.002 4.997 3.616 1.00 0.00 H new ATOM 0 HA GLU A 37 -22.156 6.880 1.608 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -20.267 5.953 3.567 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -19.410 6.174 2.055 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -19.366 8.380 2.381 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -21.117 8.433 2.373 1.00 0.00 H new ATOM 572 N GLY A 38 -20.331 4.315 0.637 1.00 0.00 N ATOM 573 CA GLY A 38 -19.868 3.601 -0.539 1.00 0.00 C ATOM 574 C GLY A 38 -19.131 4.496 -1.513 1.00 0.00 C ATOM 575 O GLY A 38 -19.048 4.195 -2.704 1.00 0.00 O ATOM 0 H GLY A 38 -19.990 3.943 1.524 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -19.211 2.788 -0.230 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -20.721 3.147 -1.043 1.00 0.00 H new ATOM 579 N LYS A 39 -18.583 5.590 -1.003 1.00 0.00 N ATOM 580 CA LYS A 39 -17.838 6.523 -1.820 1.00 0.00 C ATOM 581 C LYS A 39 -16.694 7.125 -1.018 1.00 0.00 C ATOM 582 O LYS A 39 -16.846 8.157 -0.365 1.00 0.00 O ATOM 583 CB LYS A 39 -18.755 7.630 -2.344 1.00 0.00 C ATOM 584 CG LYS A 39 -18.412 8.089 -3.751 1.00 0.00 C ATOM 585 CD LYS A 39 -17.182 8.982 -3.762 1.00 0.00 C ATOM 586 CE LYS A 39 -17.549 10.438 -3.524 1.00 0.00 C ATOM 587 NZ LYS A 39 -16.415 11.354 -3.826 1.00 0.00 N ATOM 0 H LYS A 39 -18.644 5.850 -0.019 1.00 0.00 H new ATOM 0 HA LYS A 39 -17.426 5.983 -2.673 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -19.785 7.275 -2.328 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -18.702 8.484 -1.669 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -18.238 7.220 -4.386 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -19.259 8.629 -4.175 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -16.484 8.651 -2.993 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -16.670 8.886 -4.720 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -18.405 10.703 -4.145 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -17.856 10.570 -2.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -16.707 12.337 -3.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -15.607 11.119 -3.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -16.139 11.247 -4.823 1.00 0.00 H new ATOM 601 N MET A 40 -15.547 6.472 -1.087 1.00 0.00 N ATOM 602 CA MET A 40 -14.358 6.923 -0.390 1.00 0.00 C ATOM 603 C MET A 40 -13.107 6.533 -1.166 1.00 0.00 C ATOM 604 O MET A 40 -12.513 5.482 -0.925 1.00 0.00 O ATOM 605 CB MET A 40 -14.308 6.334 1.021 1.00 0.00 C ATOM 606 CG MET A 40 -14.647 4.852 1.075 1.00 0.00 C ATOM 607 SD MET A 40 -16.101 4.503 2.083 1.00 0.00 S ATOM 608 CE MET A 40 -17.104 3.579 0.923 1.00 0.00 C ATOM 0 H MET A 40 -15.415 5.617 -1.627 1.00 0.00 H new ATOM 0 HA MET A 40 -14.397 8.010 -0.313 1.00 0.00 H new ATOM 0 HB2 MET A 40 -13.310 6.485 1.434 1.00 0.00 H new ATOM 0 HB3 MET A 40 -15.003 6.881 1.659 1.00 0.00 H new ATOM 0 HG2 MET A 40 -14.816 4.486 0.062 1.00 0.00 H new ATOM 0 HG3 MET A 40 -13.794 4.303 1.474 1.00 0.00 H new ATOM 0 HE1 MET A 40 -18.145 3.889 1.014 1.00 0.00 H new ATOM 0 HE2 MET A 40 -16.756 3.771 -0.092 1.00 0.00 H new ATOM 0 HE3 MET A 40 -17.023 2.514 1.140 1.00 0.00 H new ATOM 618 N TYR A 41 -12.718 7.386 -2.103 1.00 0.00 N ATOM 619 CA TYR A 41 -11.542 7.137 -2.925 1.00 0.00 C ATOM 620 C TYR A 41 -10.260 7.258 -2.106 1.00 0.00 C ATOM 621 O TYR A 41 -9.612 8.304 -2.100 1.00 0.00 O ATOM 622 CB TYR A 41 -11.506 8.107 -4.104 1.00 0.00 C ATOM 623 CG TYR A 41 -11.586 7.425 -5.452 1.00 0.00 C ATOM 624 CD1 TYR A 41 -10.620 6.508 -5.846 1.00 0.00 C ATOM 625 CD2 TYR A 41 -12.627 7.700 -6.330 1.00 0.00 C ATOM 626 CE1 TYR A 41 -10.689 5.883 -7.076 1.00 0.00 C ATOM 627 CE2 TYR A 41 -12.704 7.079 -7.562 1.00 0.00 C ATOM 628 CZ TYR A 41 -11.733 6.172 -7.930 1.00 0.00 C ATOM 629 OH TYR A 41 -11.805 5.552 -9.156 1.00 0.00 O ATOM 0 H TYR A 41 -13.201 8.259 -2.313 1.00 0.00 H new ATOM 0 HA TYR A 41 -11.607 6.117 -3.304 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -12.335 8.809 -4.012 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -10.587 8.691 -4.055 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -9.801 6.280 -5.180 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -13.389 8.411 -6.045 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -9.930 5.172 -7.367 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -13.520 7.303 -8.233 1.00 0.00 H new ATOM 0 HH TYR A 41 -12.601 5.865 -9.635 1.00 0.00 H new ATOM 639 N GLY A 42 -9.897 6.177 -1.423 1.00 0.00 N ATOM 640 CA GLY A 42 -8.694 6.179 -0.621 1.00 0.00 C ATOM 641 C GLY A 42 -8.105 4.792 -0.456 1.00 0.00 C ATOM 642 O GLY A 42 -8.585 3.999 0.355 1.00 0.00 O ATOM 0 H GLY A 42 -10.417 5.300 -1.413 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.954 6.832 -1.083 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.917 6.595 0.362 1.00 0.00 H new ATOM 646 N ARG A 43 -7.064 4.499 -1.227 1.00 0.00 N ATOM 647 CA ARG A 43 -6.409 3.203 -1.168 1.00 0.00 C ATOM 648 C ARG A 43 -5.270 3.204 -0.153 1.00 0.00 C ATOM 649 O ARG A 43 -4.898 2.159 0.380 1.00 0.00 O ATOM 650 CB ARG A 43 -5.885 2.811 -2.547 1.00 0.00 C ATOM 651 CG ARG A 43 -6.551 1.572 -3.122 1.00 0.00 C ATOM 652 CD ARG A 43 -5.570 0.737 -3.930 1.00 0.00 C ATOM 653 NE ARG A 43 -4.792 1.553 -4.859 1.00 0.00 N ATOM 654 CZ ARG A 43 -5.261 2.005 -6.020 1.00 0.00 C ATOM 655 NH1 ARG A 43 -6.502 1.724 -6.397 1.00 0.00 N ATOM 656 NH2 ARG A 43 -4.486 2.741 -6.805 1.00 0.00 N ATOM 0 H ARG A 43 -6.656 5.146 -1.902 1.00 0.00 H new ATOM 0 HA ARG A 43 -7.147 2.469 -0.846 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -6.034 3.645 -3.233 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -4.811 2.639 -2.483 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -6.962 0.970 -2.312 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -7.387 1.868 -3.756 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -4.894 0.215 -3.252 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -6.115 -0.025 -4.486 1.00 0.00 H new ATOM 0 HE ARG A 43 -3.834 1.790 -4.603 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -7.102 1.159 -5.796 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -6.856 2.073 -7.288 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -3.532 2.960 -6.519 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -4.844 3.088 -7.695 1.00 0.00 H new ATOM 670 N ASN A 44 -4.716 4.383 0.100 1.00 0.00 N ATOM 671 CA ASN A 44 -3.613 4.524 1.043 1.00 0.00 C ATOM 672 C ASN A 44 -4.020 4.089 2.445 1.00 0.00 C ATOM 673 O ASN A 44 -3.178 3.701 3.255 1.00 0.00 O ATOM 674 CB ASN A 44 -3.115 5.967 1.063 1.00 0.00 C ATOM 675 CG ASN A 44 -1.701 6.099 0.531 1.00 0.00 C ATOM 676 OD1 ASN A 44 -1.239 5.265 -0.247 1.00 0.00 O ATOM 677 ND2 ASN A 44 -1.007 7.151 0.949 1.00 0.00 N ATOM 0 H ASN A 44 -5.013 5.257 -0.335 1.00 0.00 H new ATOM 0 HA ASN A 44 -2.805 3.872 0.711 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -3.784 6.587 0.467 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -3.153 6.347 2.084 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -0.050 7.293 0.624 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -1.430 7.818 1.595 1.00 0.00 H new ATOM 684 N GLU A 45 -5.312 4.155 2.726 1.00 0.00 N ATOM 685 CA GLU A 45 -5.824 3.764 4.028 1.00 0.00 C ATOM 686 C GLU A 45 -5.964 2.250 4.123 1.00 0.00 C ATOM 687 O GLU A 45 -5.960 1.683 5.216 1.00 0.00 O ATOM 688 CB GLU A 45 -7.170 4.437 4.300 1.00 0.00 C ATOM 689 CG GLU A 45 -7.370 4.832 5.754 1.00 0.00 C ATOM 690 CD GLU A 45 -8.658 5.599 5.977 1.00 0.00 C ATOM 691 OE1 GLU A 45 -8.719 6.784 5.588 1.00 0.00 O ATOM 692 OE2 GLU A 45 -9.607 5.014 6.542 1.00 0.00 O ATOM 0 H GLU A 45 -6.024 4.476 2.070 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.110 4.092 4.784 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.255 5.326 3.676 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.972 3.761 4.002 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.374 3.935 6.373 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.527 5.441 6.080 1.00 0.00 H new ATOM 699 N LEU A 46 -6.086 1.599 2.972 1.00 0.00 N ATOM 700 CA LEU A 46 -6.224 0.155 2.928 1.00 0.00 C ATOM 701 C LEU A 46 -4.870 -0.522 3.070 1.00 0.00 C ATOM 702 O LEU A 46 -4.756 -1.589 3.673 1.00 0.00 O ATOM 703 CB LEU A 46 -6.905 -0.280 1.631 1.00 0.00 C ATOM 704 CG LEU A 46 -8.253 -0.979 1.811 1.00 0.00 C ATOM 705 CD1 LEU A 46 -9.008 -1.030 0.491 1.00 0.00 C ATOM 706 CD2 LEU A 46 -8.056 -2.380 2.369 1.00 0.00 C ATOM 0 H LEU A 46 -6.092 2.052 2.058 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.849 -0.152 3.767 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.050 0.598 1.002 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -6.234 -0.950 1.093 1.00 0.00 H new ATOM 0 HG LEU A 46 -8.846 -0.406 2.523 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -9.965 -1.531 0.638 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -9.181 -0.016 0.131 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -8.420 -1.580 -0.244 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.026 -2.863 2.491 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.444 -2.963 1.681 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -7.557 -2.320 3.336 1.00 0.00 H new ATOM 718 N ILE A 47 -3.844 0.112 2.522 1.00 0.00 N ATOM 719 CA ILE A 47 -2.500 -0.420 2.599 1.00 0.00 C ATOM 720 C ILE A 47 -1.904 -0.147 3.967 1.00 0.00 C ATOM 721 O ILE A 47 -1.157 -0.960 4.510 1.00 0.00 O ATOM 722 CB ILE A 47 -1.573 0.167 1.515 1.00 0.00 C ATOM 723 CG1 ILE A 47 -1.973 1.600 1.155 1.00 0.00 C ATOM 724 CG2 ILE A 47 -1.575 -0.714 0.277 1.00 0.00 C ATOM 725 CD1 ILE A 47 -0.820 2.437 0.645 1.00 0.00 C ATOM 0 H ILE A 47 -3.921 0.996 2.020 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.576 -1.494 2.430 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.562 0.195 1.921 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.755 1.571 0.396 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.400 2.082 2.034 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.915 -0.284 -0.477 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.224 -1.712 0.540 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -2.587 -0.779 -0.122 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.175 3.440 0.409 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.047 2.496 1.411 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.407 1.978 -0.253 1.00 0.00 H new ATOM 737 N ALA A 48 -2.254 1.002 4.521 1.00 0.00 N ATOM 738 CA ALA A 48 -1.771 1.388 5.833 1.00 0.00 C ATOM 739 C ALA A 48 -2.470 0.584 6.919 1.00 0.00 C ATOM 740 O ALA A 48 -1.934 0.398 8.011 1.00 0.00 O ATOM 741 CB ALA A 48 -1.964 2.880 6.054 1.00 0.00 C ATOM 0 H ALA A 48 -2.872 1.684 4.080 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.704 1.171 5.886 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.596 3.152 7.043 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.411 3.435 5.296 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.024 3.125 5.981 1.00 0.00 H new ATOM 747 N ARG A 49 -3.664 0.091 6.606 1.00 0.00 N ATOM 748 CA ARG A 49 -4.419 -0.711 7.552 1.00 0.00 C ATOM 749 C ARG A 49 -3.780 -2.083 7.696 1.00 0.00 C ATOM 750 O ARG A 49 -3.863 -2.715 8.749 1.00 0.00 O ATOM 751 CB ARG A 49 -5.876 -0.846 7.105 1.00 0.00 C ATOM 752 CG ARG A 49 -6.795 -1.388 8.187 1.00 0.00 C ATOM 753 CD ARG A 49 -8.172 -0.746 8.122 1.00 0.00 C ATOM 754 NE ARG A 49 -9.101 -1.343 9.079 1.00 0.00 N ATOM 755 CZ ARG A 49 -9.725 -2.502 8.882 1.00 0.00 C ATOM 756 NH1 ARG A 49 -9.523 -3.191 7.766 1.00 0.00 N ATOM 757 NH2 ARG A 49 -10.553 -2.973 9.803 1.00 0.00 N ATOM 0 H ARG A 49 -4.125 0.234 5.707 1.00 0.00 H new ATOM 0 HA ARG A 49 -4.405 -0.211 8.520 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.241 0.130 6.785 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -5.922 -1.504 6.237 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -6.891 -2.468 8.077 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -6.353 -1.205 9.166 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -8.084 0.322 8.321 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -8.573 -0.850 7.114 1.00 0.00 H new ATOM 0 HE ARG A 49 -9.282 -0.842 9.949 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -8.887 -2.833 7.054 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -10.004 -4.079 7.621 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -10.712 -2.447 10.663 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -11.031 -3.861 9.652 1.00 0.00 H new ATOM 771 N TYR A 50 -3.129 -2.530 6.629 1.00 0.00 N ATOM 772 CA TYR A 50 -2.456 -3.817 6.631 1.00 0.00 C ATOM 773 C TYR A 50 -1.249 -3.783 7.545 1.00 0.00 C ATOM 774 O TYR A 50 -1.110 -4.604 8.451 1.00 0.00 O ATOM 775 CB TYR A 50 -2.022 -4.194 5.225 1.00 0.00 C ATOM 776 CG TYR A 50 -1.802 -5.676 5.036 1.00 0.00 C ATOM 777 CD1 TYR A 50 -0.627 -6.279 5.466 1.00 0.00 C ATOM 778 CD2 TYR A 50 -2.765 -6.473 4.429 1.00 0.00 C ATOM 779 CE1 TYR A 50 -0.417 -7.633 5.299 1.00 0.00 C ATOM 780 CE2 TYR A 50 -2.563 -7.829 4.258 1.00 0.00 C ATOM 781 CZ TYR A 50 -1.387 -8.405 4.694 1.00 0.00 C ATOM 782 OH TYR A 50 -1.182 -9.755 4.526 1.00 0.00 O ATOM 0 H TYR A 50 -3.055 -2.017 5.751 1.00 0.00 H new ATOM 0 HA TYR A 50 -3.158 -4.566 6.998 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -2.778 -3.854 4.517 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -1.100 -3.665 4.984 1.00 0.00 H new ATOM 0 HD1 TYR A 50 0.136 -5.678 5.939 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -3.686 -6.025 4.085 1.00 0.00 H new ATOM 0 HE1 TYR A 50 0.502 -8.086 5.640 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.322 -8.435 3.785 1.00 0.00 H new ATOM 0 HH TYR A 50 -0.608 -10.091 5.246 1.00 0.00 H new ATOM 792 N ILE A 51 -0.386 -2.816 7.301 1.00 0.00 N ATOM 793 CA ILE A 51 0.815 -2.650 8.099 1.00 0.00 C ATOM 794 C ILE A 51 0.455 -2.337 9.543 1.00 0.00 C ATOM 795 O ILE A 51 1.165 -2.719 10.472 1.00 0.00 O ATOM 796 CB ILE A 51 1.731 -1.536 7.550 1.00 0.00 C ATOM 797 CG1 ILE A 51 0.934 -0.492 6.762 1.00 0.00 C ATOM 798 CG2 ILE A 51 2.828 -2.135 6.682 1.00 0.00 C ATOM 799 CD1 ILE A 51 1.580 0.877 6.751 1.00 0.00 C ATOM 0 H ILE A 51 -0.494 -2.130 6.554 1.00 0.00 H new ATOM 0 HA ILE A 51 1.360 -3.592 8.048 1.00 0.00 H new ATOM 0 HB ILE A 51 2.189 -1.030 8.400 1.00 0.00 H new ATOM 0 HG12 ILE A 51 0.814 -0.837 5.735 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -0.065 -0.410 7.190 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.467 -1.338 6.301 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.426 -2.826 7.276 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.379 -2.670 5.846 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.962 1.566 6.175 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.675 1.243 7.773 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.568 0.809 6.296 1.00 0.00 H new ATOM 811 N LYS A 52 -0.661 -1.646 9.717 1.00 0.00 N ATOM 812 CA LYS A 52 -1.136 -1.281 11.042 1.00 0.00 C ATOM 813 C LYS A 52 -1.692 -2.497 11.776 1.00 0.00 C ATOM 814 O LYS A 52 -1.749 -2.521 13.004 1.00 0.00 O ATOM 815 CB LYS A 52 -2.208 -0.194 10.943 1.00 0.00 C ATOM 816 CG LYS A 52 -2.641 0.358 12.292 1.00 0.00 C ATOM 817 CD LYS A 52 -1.593 1.291 12.875 1.00 0.00 C ATOM 818 CE LYS A 52 -1.555 2.618 12.135 1.00 0.00 C ATOM 819 NZ LYS A 52 -0.518 2.631 11.067 1.00 0.00 N ATOM 0 H LYS A 52 -1.257 -1.326 8.953 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.289 -0.894 11.609 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -1.829 0.624 10.330 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -3.079 -0.600 10.429 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -3.584 0.893 12.182 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.821 -0.466 12.983 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -1.807 1.467 13.929 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.613 0.816 12.824 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.532 2.815 11.694 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.356 3.423 12.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 0.206 3.342 11.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -0.074 1.693 11.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.961 2.867 10.156 1.00 0.00 H new ATOM 833 N LEU A 53 -2.106 -3.504 11.015 1.00 0.00 N ATOM 834 CA LEU A 53 -2.659 -4.719 11.590 1.00 0.00 C ATOM 835 C LEU A 53 -1.570 -5.755 11.855 1.00 0.00 C ATOM 836 O LEU A 53 -1.744 -6.658 12.674 1.00 0.00 O ATOM 837 CB LEU A 53 -3.722 -5.306 10.659 1.00 0.00 C ATOM 838 CG LEU A 53 -4.311 -6.645 11.108 1.00 0.00 C ATOM 839 CD1 LEU A 53 -5.713 -6.820 10.549 1.00 0.00 C ATOM 840 CD2 LEU A 53 -3.413 -7.797 10.674 1.00 0.00 C ATOM 0 H LEU A 53 -2.068 -3.500 9.996 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.118 -4.459 12.544 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.533 -4.585 10.559 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.285 -5.433 9.669 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.370 -6.649 12.196 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.119 -7.777 10.877 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -6.351 -6.013 10.908 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.676 -6.796 9.460 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.848 -8.741 11.002 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.321 -7.798 9.588 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.426 -7.677 11.121 1.00 0.00 H new ATOM 852 N ARG A 54 -0.454 -5.626 11.148 1.00 0.00 N ATOM 853 CA ARG A 54 0.662 -6.557 11.294 1.00 0.00 C ATOM 854 C ARG A 54 1.115 -6.675 12.743 1.00 0.00 C ATOM 855 O ARG A 54 1.099 -7.759 13.325 1.00 0.00 O ATOM 856 CB ARG A 54 1.836 -6.116 10.418 1.00 0.00 C ATOM 857 CG ARG A 54 2.638 -7.275 9.848 1.00 0.00 C ATOM 858 CD ARG A 54 3.609 -7.839 10.873 1.00 0.00 C ATOM 859 NE ARG A 54 3.667 -9.298 10.828 1.00 0.00 N ATOM 860 CZ ARG A 54 4.123 -9.990 9.786 1.00 0.00 C ATOM 861 NH1 ARG A 54 4.561 -9.361 8.703 1.00 0.00 N ATOM 862 NH2 ARG A 54 4.141 -11.315 9.828 1.00 0.00 N ATOM 0 H ARG A 54 -0.296 -4.884 10.466 1.00 0.00 H new ATOM 0 HA ARG A 54 0.314 -7.538 10.971 1.00 0.00 H new ATOM 0 HB2 ARG A 54 1.457 -5.508 9.596 1.00 0.00 H new ATOM 0 HB3 ARG A 54 2.499 -5.481 11.006 1.00 0.00 H new ATOM 0 HG2 ARG A 54 1.959 -8.061 9.518 1.00 0.00 H new ATOM 0 HG3 ARG A 54 3.189 -6.940 8.969 1.00 0.00 H new ATOM 0 HD2 ARG A 54 4.604 -7.431 10.693 1.00 0.00 H new ATOM 0 HD3 ARG A 54 3.309 -7.519 11.871 1.00 0.00 H new ATOM 0 HE ARG A 54 3.339 -9.817 11.643 1.00 0.00 H new ATOM 0 HH11 ARG A 54 4.550 -8.342 8.666 1.00 0.00 H new ATOM 0 HH12 ARG A 54 4.909 -9.897 7.908 1.00 0.00 H new ATOM 0 HH21 ARG A 54 3.806 -11.804 10.658 1.00 0.00 H new ATOM 0 HH22 ARG A 54 4.490 -11.846 9.030 1.00 0.00 H new ATOM 876 N THR A 55 1.528 -5.556 13.310 1.00 0.00 N ATOM 877 CA THR A 55 2.000 -5.523 14.686 1.00 0.00 C ATOM 878 C THR A 55 1.233 -4.504 15.525 1.00 0.00 C ATOM 879 O THR A 55 1.147 -4.633 16.746 1.00 0.00 O ATOM 880 CB THR A 55 3.499 -5.216 14.727 1.00 0.00 C ATOM 881 OG1 THR A 55 3.971 -4.832 13.448 1.00 0.00 O ATOM 882 CG2 THR A 55 4.336 -6.389 15.191 1.00 0.00 C ATOM 0 H THR A 55 1.547 -4.652 12.837 1.00 0.00 H new ATOM 0 HA THR A 55 1.822 -6.508 15.116 1.00 0.00 H new ATOM 0 HB THR A 55 3.606 -4.404 15.446 1.00 0.00 H new ATOM 0 HG1 THR A 55 4.930 -4.639 13.498 1.00 0.00 H new ATOM 0 HG21 THR A 55 5.388 -6.105 15.197 1.00 0.00 H new ATOM 0 HG22 THR A 55 4.032 -6.678 16.197 1.00 0.00 H new ATOM 0 HG23 THR A 55 4.191 -7.230 14.513 1.00 0.00 H new ATOM 890 N GLY A 56 0.681 -3.493 14.868 1.00 0.00 N ATOM 891 CA GLY A 56 -0.064 -2.473 15.569 1.00 0.00 C ATOM 892 C GLY A 56 0.762 -1.236 15.844 1.00 0.00 C ATOM 893 O GLY A 56 0.228 -0.131 15.941 1.00 0.00 O ATOM 0 H GLY A 56 0.738 -3.363 13.858 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -0.939 -2.198 14.980 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -0.429 -2.879 16.512 1.00 0.00 H new ATOM 897 N LYS A 57 2.067 -1.424 15.970 1.00 0.00 N ATOM 898 CA LYS A 57 2.978 -0.330 16.234 1.00 0.00 C ATOM 899 C LYS A 57 3.891 -0.082 15.037 1.00 0.00 C ATOM 900 O LYS A 57 4.998 -0.616 14.967 1.00 0.00 O ATOM 901 CB LYS A 57 3.817 -0.625 17.480 1.00 0.00 C ATOM 902 CG LYS A 57 3.911 -2.102 17.834 1.00 0.00 C ATOM 903 CD LYS A 57 5.024 -2.366 18.835 1.00 0.00 C ATOM 904 CE LYS A 57 6.282 -2.873 18.150 1.00 0.00 C ATOM 905 NZ LYS A 57 7.217 -1.764 17.811 1.00 0.00 N ATOM 0 H LYS A 57 2.519 -2.335 15.892 1.00 0.00 H new ATOM 0 HA LYS A 57 2.386 0.569 16.409 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.823 -0.235 17.327 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.391 -0.086 18.327 1.00 0.00 H new ATOM 0 HG2 LYS A 57 2.961 -2.439 18.248 1.00 0.00 H new ATOM 0 HG3 LYS A 57 4.089 -2.683 16.929 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.250 -1.449 19.380 1.00 0.00 H new ATOM 0 HD3 LYS A 57 4.688 -3.098 19.569 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.787 -3.587 18.801 1.00 0.00 H new ATOM 0 HE3 LYS A 57 6.009 -3.408 17.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 7.103 -1.508 16.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 7.005 -0.938 18.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 8.196 -2.071 17.981 1.00 0.00 H new ATOM 919 N THR A 58 3.420 0.734 14.100 1.00 0.00 N ATOM 920 CA THR A 58 4.192 1.058 12.912 1.00 0.00 C ATOM 921 C THR A 58 3.869 2.463 12.416 1.00 0.00 C ATOM 922 O THR A 58 2.898 3.080 12.853 1.00 0.00 O ATOM 923 CB THR A 58 3.931 0.040 11.805 1.00 0.00 C ATOM 924 OG1 THR A 58 3.232 -1.086 12.306 1.00 0.00 O ATOM 925 CG2 THR A 58 5.197 -0.461 11.143 1.00 0.00 C ATOM 0 H THR A 58 2.505 1.183 14.143 1.00 0.00 H new ATOM 0 HA THR A 58 5.248 1.021 13.181 1.00 0.00 H new ATOM 0 HB THR A 58 3.336 0.571 11.062 1.00 0.00 H new ATOM 0 HG1 THR A 58 2.639 -1.439 11.610 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.941 -1.181 10.366 1.00 0.00 H new ATOM 0 HG22 THR A 58 5.732 0.378 10.698 1.00 0.00 H new ATOM 0 HG23 THR A 58 5.831 -0.941 11.888 1.00 0.00 H new ATOM 933 N ARG A 59 4.678 2.952 11.483 1.00 0.00 N ATOM 934 CA ARG A 59 4.474 4.266 10.906 1.00 0.00 C ATOM 935 C ARG A 59 5.106 4.328 9.523 1.00 0.00 C ATOM 936 O ARG A 59 6.073 5.056 9.295 1.00 0.00 O ATOM 937 CB ARG A 59 5.067 5.349 11.810 1.00 0.00 C ATOM 938 CG ARG A 59 6.504 5.075 12.224 1.00 0.00 C ATOM 939 CD ARG A 59 6.906 5.912 13.427 1.00 0.00 C ATOM 940 NE ARG A 59 6.652 5.217 14.687 1.00 0.00 N ATOM 941 CZ ARG A 59 7.402 4.218 15.146 1.00 0.00 C ATOM 942 NH1 ARG A 59 8.453 3.794 14.454 1.00 0.00 N ATOM 943 NH2 ARG A 59 7.102 3.641 16.302 1.00 0.00 N ATOM 0 H ARG A 59 5.485 2.451 11.111 1.00 0.00 H new ATOM 0 HA ARG A 59 3.403 4.445 10.815 1.00 0.00 H new ATOM 0 HB2 ARG A 59 5.023 6.307 11.292 1.00 0.00 H new ATOM 0 HB3 ARG A 59 4.451 5.442 12.705 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.620 4.017 12.460 1.00 0.00 H new ATOM 0 HG3 ARG A 59 7.172 5.291 11.390 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.965 6.161 13.358 1.00 0.00 H new ATOM 0 HD3 ARG A 59 6.355 6.853 13.414 1.00 0.00 H new ATOM 0 HE ARG A 59 5.853 5.515 15.247 1.00 0.00 H new ATOM 0 HH11 ARG A 59 8.690 4.234 13.565 1.00 0.00 H new ATOM 0 HH12 ARG A 59 9.024 3.028 14.812 1.00 0.00 H new ATOM 0 HH21 ARG A 59 6.297 3.963 16.839 1.00 0.00 H new ATOM 0 HH22 ARG A 59 7.677 2.875 16.654 1.00 0.00 H new ATOM 957 N THR A 60 4.546 3.555 8.605 1.00 0.00 N ATOM 958 CA THR A 60 5.036 3.506 7.239 1.00 0.00 C ATOM 959 C THR A 60 3.879 3.441 6.247 1.00 0.00 C ATOM 960 O THR A 60 3.595 2.385 5.682 1.00 0.00 O ATOM 961 CB THR A 60 5.963 2.305 7.048 1.00 0.00 C ATOM 962 OG1 THR A 60 6.393 2.212 5.702 1.00 0.00 O ATOM 963 CG2 THR A 60 5.317 0.986 7.417 1.00 0.00 C ATOM 0 H THR A 60 3.746 2.949 8.785 1.00 0.00 H new ATOM 0 HA THR A 60 5.599 4.420 7.049 1.00 0.00 H new ATOM 0 HB THR A 60 6.804 2.479 7.719 1.00 0.00 H new ATOM 0 HG1 THR A 60 5.840 1.557 5.226 1.00 0.00 H new ATOM 0 HG21 THR A 60 6.028 0.175 7.258 1.00 0.00 H new ATOM 0 HG22 THR A 60 5.019 1.007 8.465 1.00 0.00 H new ATOM 0 HG23 THR A 60 4.438 0.824 6.793 1.00 0.00 H new ATOM 971 N ARG A 61 3.213 4.572 6.038 1.00 0.00 N ATOM 972 CA ARG A 61 2.091 4.634 5.117 1.00 0.00 C ATOM 973 C ARG A 61 2.466 5.389 3.852 1.00 0.00 C ATOM 974 O ARG A 61 1.990 5.074 2.761 1.00 0.00 O ATOM 975 CB ARG A 61 0.884 5.295 5.787 1.00 0.00 C ATOM 976 CG ARG A 61 0.620 4.793 7.197 1.00 0.00 C ATOM 977 CD ARG A 61 -0.370 5.684 7.929 1.00 0.00 C ATOM 978 NE ARG A 61 0.103 7.062 8.029 1.00 0.00 N ATOM 979 CZ ARG A 61 -0.643 8.072 8.470 1.00 0.00 C ATOM 980 NH1 ARG A 61 -1.896 7.863 8.852 1.00 0.00 N ATOM 981 NH2 ARG A 61 -0.134 9.295 8.528 1.00 0.00 N ATOM 0 H ARG A 61 3.433 5.457 6.496 1.00 0.00 H new ATOM 0 HA ARG A 61 1.826 3.613 4.841 1.00 0.00 H new ATOM 0 HB2 ARG A 61 1.041 6.373 5.818 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.001 5.119 5.176 1.00 0.00 H new ATOM 0 HG2 ARG A 61 0.233 3.775 7.155 1.00 0.00 H new ATOM 0 HG3 ARG A 61 1.557 4.755 7.752 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -1.327 5.666 7.408 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -0.544 5.287 8.929 1.00 0.00 H new ATOM 0 HE ARG A 61 1.062 7.262 7.744 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -2.293 6.924 8.809 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -2.463 8.641 9.189 1.00 0.00 H new ATOM 0 HH21 ARG A 61 0.829 9.461 8.235 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -0.705 10.070 8.866 1.00 0.00 H new ATOM 995 N LYS A 62 3.324 6.383 4.008 1.00 0.00 N ATOM 996 CA LYS A 62 3.774 7.188 2.884 1.00 0.00 C ATOM 997 C LYS A 62 4.743 6.402 2.013 1.00 0.00 C ATOM 998 O LYS A 62 4.804 6.597 0.799 1.00 0.00 O ATOM 999 CB LYS A 62 4.429 8.474 3.381 1.00 0.00 C ATOM 1000 CG LYS A 62 3.789 9.736 2.826 1.00 0.00 C ATOM 1001 CD LYS A 62 4.535 10.249 1.605 1.00 0.00 C ATOM 1002 CE LYS A 62 3.586 10.874 0.595 1.00 0.00 C ATOM 1003 NZ LYS A 62 4.317 11.633 -0.458 1.00 0.00 N ATOM 0 H LYS A 62 3.725 6.653 4.906 1.00 0.00 H new ATOM 0 HA LYS A 62 2.905 7.449 2.280 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.380 8.500 4.470 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.485 8.463 3.110 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.752 9.533 2.561 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.776 10.507 3.596 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.277 10.986 1.913 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.077 9.428 1.137 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.986 10.093 0.129 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.895 11.541 1.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.635 12.044 -1.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 4.870 12.395 -0.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 4.957 10.991 -0.967 1.00 0.00 H new ATOM 1017 N GLN A 63 5.490 5.509 2.643 1.00 0.00 N ATOM 1018 CA GLN A 63 6.451 4.683 1.932 1.00 0.00 C ATOM 1019 C GLN A 63 5.740 3.597 1.131 1.00 0.00 C ATOM 1020 O GLN A 63 6.267 3.097 0.138 1.00 0.00 O ATOM 1021 CB GLN A 63 7.446 4.060 2.908 1.00 0.00 C ATOM 1022 CG GLN A 63 8.871 4.554 2.722 1.00 0.00 C ATOM 1023 CD GLN A 63 9.897 3.450 2.884 1.00 0.00 C ATOM 1024 OE1 GLN A 63 9.571 2.341 3.309 1.00 0.00 O ATOM 1025 NE2 GLN A 63 11.146 3.748 2.547 1.00 0.00 N ATOM 0 H GLN A 63 5.448 5.338 3.648 1.00 0.00 H new ATOM 0 HA GLN A 63 6.999 5.319 1.237 1.00 0.00 H new ATOM 0 HB2 GLN A 63 7.126 4.276 3.927 1.00 0.00 H new ATOM 0 HB3 GLN A 63 7.428 2.977 2.790 1.00 0.00 H new ATOM 0 HG2 GLN A 63 8.972 4.996 1.731 1.00 0.00 H new ATOM 0 HG3 GLN A 63 9.075 5.344 3.445 1.00 0.00 H new ATOM 0 HE21 GLN A 63 11.372 4.680 2.199 1.00 0.00 H new ATOM 0 HE22 GLN A 63 11.880 3.045 2.636 1.00 0.00 H new ATOM 1034 N VAL A 64 4.537 3.240 1.571 1.00 0.00 N ATOM 1035 CA VAL A 64 3.750 2.220 0.897 1.00 0.00 C ATOM 1036 C VAL A 64 3.096 2.772 -0.362 1.00 0.00 C ATOM 1037 O VAL A 64 2.761 2.022 -1.277 1.00 0.00 O ATOM 1038 CB VAL A 64 2.654 1.640 1.813 1.00 0.00 C ATOM 1039 CG1 VAL A 64 2.025 0.410 1.176 1.00 0.00 C ATOM 1040 CG2 VAL A 64 3.215 1.307 3.187 1.00 0.00 C ATOM 0 H VAL A 64 4.088 3.644 2.393 1.00 0.00 H new ATOM 0 HA VAL A 64 4.444 1.423 0.630 1.00 0.00 H new ATOM 0 HB VAL A 64 1.880 2.397 1.940 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.253 0.013 1.836 1.00 0.00 H new ATOM 0 HG12 VAL A 64 1.579 0.683 0.220 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.791 -0.349 1.016 1.00 0.00 H new ATOM 0 HG21 VAL A 64 2.422 0.899 3.815 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.012 0.571 3.086 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.613 2.212 3.647 1.00 0.00 H new ATOM 1050 N SER A 65 2.925 4.088 -0.408 1.00 0.00 N ATOM 1051 CA SER A 65 2.320 4.734 -1.561 1.00 0.00 C ATOM 1052 C SER A 65 3.339 4.867 -2.676 1.00 0.00 C ATOM 1053 O SER A 65 3.008 4.792 -3.859 1.00 0.00 O ATOM 1054 CB SER A 65 1.768 6.110 -1.180 1.00 0.00 C ATOM 1055 OG SER A 65 2.370 6.589 0.011 1.00 0.00 O ATOM 0 H SER A 65 3.197 4.726 0.340 1.00 0.00 H new ATOM 0 HA SER A 65 1.492 4.117 -1.910 1.00 0.00 H new ATOM 0 HB2 SER A 65 1.948 6.815 -1.991 1.00 0.00 H new ATOM 0 HB3 SER A 65 0.688 6.048 -1.046 1.00 0.00 H new ATOM 0 HG SER A 65 3.340 6.648 -0.114 1.00 0.00 H new ATOM 1061 N SER A 66 4.586 5.053 -2.278 1.00 0.00 N ATOM 1062 CA SER A 66 5.683 5.185 -3.215 1.00 0.00 C ATOM 1063 C SER A 66 5.929 3.871 -3.936 1.00 0.00 C ATOM 1064 O SER A 66 6.227 3.844 -5.130 1.00 0.00 O ATOM 1065 CB SER A 66 6.939 5.616 -2.476 1.00 0.00 C ATOM 1066 OG SER A 66 7.690 6.548 -3.234 1.00 0.00 O ATOM 0 H SER A 66 4.864 5.116 -1.299 1.00 0.00 H new ATOM 0 HA SER A 66 5.423 5.941 -3.955 1.00 0.00 H new ATOM 0 HB2 SER A 66 6.666 6.059 -1.519 1.00 0.00 H new ATOM 0 HB3 SER A 66 7.553 4.742 -2.259 1.00 0.00 H new ATOM 0 HG SER A 66 8.491 6.808 -2.732 1.00 0.00 H new ATOM 1072 N HIS A 67 5.803 2.785 -3.192 1.00 0.00 N ATOM 1073 CA HIS A 67 6.011 1.450 -3.737 1.00 0.00 C ATOM 1074 C HIS A 67 4.915 1.077 -4.730 1.00 0.00 C ATOM 1075 O HIS A 67 5.100 0.192 -5.565 1.00 0.00 O ATOM 1076 CB HIS A 67 6.075 0.417 -2.612 1.00 0.00 C ATOM 1077 CG HIS A 67 6.810 -0.831 -2.990 1.00 0.00 C ATOM 1078 ND1 HIS A 67 6.549 -1.757 -3.942 1.00 0.00 N flip ATOM 1079 CD2 HIS A 67 7.964 -1.246 -2.360 1.00 0.00 C flip ATOM 1080 CE1 HIS A 67 7.540 -2.704 -3.871 1.00 0.00 C flip ATOM 1081 NE2 HIS A 67 8.382 -2.373 -2.910 1.00 0.00 N flip ATOM 0 H HIS A 67 5.556 2.800 -2.202 1.00 0.00 H new ATOM 0 HA HIS A 67 6.962 1.455 -4.270 1.00 0.00 H new ATOM 0 HB2 HIS A 67 6.559 0.866 -1.744 1.00 0.00 H new ATOM 0 HB3 HIS A 67 5.061 0.155 -2.311 1.00 0.00 H new ATOM 0 HD2 HIS A 67 8.450 -0.731 -1.545 1.00 0.00 H new ATOM 0 HE1 HIS A 67 7.618 -3.579 -4.500 1.00 0.00 H new ATOM 0 HE2 HIS A 67 9.214 -2.897 -2.638 1.00 0.00 H new ATOM 1090 N ILE A 68 3.778 1.755 -4.643 1.00 0.00 N ATOM 1091 CA ILE A 68 2.674 1.488 -5.548 1.00 0.00 C ATOM 1092 C ILE A 68 2.852 2.250 -6.855 1.00 0.00 C ATOM 1093 O ILE A 68 2.292 1.877 -7.886 1.00 0.00 O ATOM 1094 CB ILE A 68 1.316 1.859 -4.919 1.00 0.00 C ATOM 1095 CG1 ILE A 68 1.132 1.132 -3.587 1.00 0.00 C ATOM 1096 CG2 ILE A 68 0.176 1.522 -5.870 1.00 0.00 C ATOM 1097 CD1 ILE A 68 0.242 1.873 -2.615 1.00 0.00 C ATOM 0 H ILE A 68 3.599 2.489 -3.958 1.00 0.00 H new ATOM 0 HA ILE A 68 2.678 0.417 -5.749 1.00 0.00 H new ATOM 0 HB ILE A 68 1.303 2.933 -4.734 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.709 0.145 -3.776 1.00 0.00 H new ATOM 0 HG13 ILE A 68 2.109 0.977 -3.128 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -0.774 1.791 -5.409 1.00 0.00 H new ATOM 0 HG22 ILE A 68 0.299 2.080 -6.798 1.00 0.00 H new ATOM 0 HG23 ILE A 68 0.185 0.453 -6.085 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.155 1.300 -1.692 1.00 0.00 H new ATOM 0 HD12 ILE A 68 0.675 2.849 -2.397 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -0.747 2.004 -3.055 1.00 0.00 H new ATOM 1109 N GLN A 69 3.640 3.319 -6.805 1.00 0.00 N ATOM 1110 CA GLN A 69 3.898 4.132 -7.980 1.00 0.00 C ATOM 1111 C GLN A 69 4.953 3.486 -8.866 1.00 0.00 C ATOM 1112 O GLN A 69 4.933 3.640 -10.087 1.00 0.00 O ATOM 1113 CB GLN A 69 4.340 5.538 -7.571 1.00 0.00 C ATOM 1114 CG GLN A 69 3.381 6.220 -6.609 1.00 0.00 C ATOM 1115 CD GLN A 69 3.356 7.726 -6.781 1.00 0.00 C ATOM 1116 OE1 GLN A 69 3.855 8.258 -7.773 1.00 0.00 O ATOM 1117 NE2 GLN A 69 2.772 8.423 -5.813 1.00 0.00 N ATOM 0 H GLN A 69 4.111 3.640 -5.959 1.00 0.00 H new ATOM 0 HA GLN A 69 2.972 4.207 -8.549 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.326 5.480 -7.109 1.00 0.00 H new ATOM 0 HB3 GLN A 69 4.443 6.152 -8.465 1.00 0.00 H new ATOM 0 HG2 GLN A 69 2.377 5.824 -6.761 1.00 0.00 H new ATOM 0 HG3 GLN A 69 3.667 5.980 -5.585 1.00 0.00 H new ATOM 0 HE21 GLN A 69 2.371 7.941 -5.008 1.00 0.00 H new ATOM 0 HE22 GLN A 69 2.724 9.440 -5.874 1.00 0.00 H new ATOM 1126 N VAL A 70 5.868 2.754 -8.245 1.00 0.00 N ATOM 1127 CA VAL A 70 6.922 2.077 -8.978 1.00 0.00 C ATOM 1128 C VAL A 70 6.391 0.811 -9.628 1.00 0.00 C ATOM 1129 O VAL A 70 6.801 0.440 -10.727 1.00 0.00 O ATOM 1130 CB VAL A 70 8.130 1.718 -8.084 1.00 0.00 C ATOM 1131 CG1 VAL A 70 9.220 2.770 -8.209 1.00 0.00 C ATOM 1132 CG2 VAL A 70 7.720 1.543 -6.630 1.00 0.00 C ATOM 0 H VAL A 70 5.899 2.616 -7.235 1.00 0.00 H new ATOM 0 HA VAL A 70 7.264 2.775 -9.742 1.00 0.00 H new ATOM 0 HB VAL A 70 8.524 0.763 -8.432 1.00 0.00 H new ATOM 0 HG11 VAL A 70 10.062 2.499 -7.572 1.00 0.00 H new ATOM 0 HG12 VAL A 70 9.553 2.828 -9.245 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.828 3.739 -7.900 1.00 0.00 H new ATOM 0 HG21 VAL A 70 8.596 1.291 -6.033 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.284 2.471 -6.261 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.986 0.741 -6.553 1.00 0.00 H new ATOM 1142 N LEU A 71 5.467 0.161 -8.940 1.00 0.00 N ATOM 1143 CA LEU A 71 4.861 -1.058 -9.444 1.00 0.00 C ATOM 1144 C LEU A 71 3.870 -0.739 -10.555 1.00 0.00 C ATOM 1145 O LEU A 71 3.636 -1.553 -11.448 1.00 0.00 O ATOM 1146 CB LEU A 71 4.171 -1.816 -8.313 1.00 0.00 C ATOM 1147 CG LEU A 71 4.688 -3.236 -8.074 1.00 0.00 C ATOM 1148 CD1 LEU A 71 4.545 -3.616 -6.609 1.00 0.00 C ATOM 1149 CD2 LEU A 71 3.947 -4.227 -8.959 1.00 0.00 C ATOM 0 H LEU A 71 5.120 0.459 -8.028 1.00 0.00 H new ATOM 0 HA LEU A 71 5.647 -1.692 -9.855 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.284 -1.245 -7.392 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.104 -1.866 -8.528 1.00 0.00 H new ATOM 0 HG LEU A 71 5.746 -3.267 -8.334 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.918 -4.629 -6.458 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.120 -2.922 -5.995 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.495 -3.569 -6.322 1.00 0.00 H new ATOM 0 HD21 LEU A 71 4.327 -5.232 -8.777 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.882 -4.194 -8.729 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.101 -3.965 -10.006 1.00 0.00 H new ATOM 1161 N ALA A 72 3.298 0.457 -10.495 1.00 0.00 N ATOM 1162 CA ALA A 72 2.342 0.897 -11.496 1.00 0.00 C ATOM 1163 C ALA A 72 3.048 1.243 -12.799 1.00 0.00 C ATOM 1164 O ALA A 72 2.468 1.142 -13.880 1.00 0.00 O ATOM 1165 CB ALA A 72 1.549 2.091 -10.985 1.00 0.00 C ATOM 0 H ALA A 72 3.482 1.140 -9.760 1.00 0.00 H new ATOM 0 HA ALA A 72 1.649 0.079 -11.691 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.837 2.408 -11.747 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.010 1.810 -10.080 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.231 2.912 -10.761 1.00 0.00 H new ATOM 1171 N ARG A 73 4.307 1.648 -12.686 1.00 0.00 N ATOM 1172 CA ARG A 73 5.102 2.006 -13.851 1.00 0.00 C ATOM 1173 C ARG A 73 5.488 0.765 -14.646 1.00 0.00 C ATOM 1174 O ARG A 73 5.680 0.826 -15.860 1.00 0.00 O ATOM 1175 CB ARG A 73 6.359 2.768 -13.426 1.00 0.00 C ATOM 1176 CG ARG A 73 6.119 4.248 -13.179 1.00 0.00 C ATOM 1177 CD ARG A 73 7.417 4.981 -12.881 1.00 0.00 C ATOM 1178 NE ARG A 73 7.212 6.116 -11.985 1.00 0.00 N ATOM 1179 CZ ARG A 73 8.081 7.114 -11.842 1.00 0.00 C ATOM 1180 NH1 ARG A 73 9.213 7.122 -12.534 1.00 0.00 N ATOM 1181 NH2 ARG A 73 7.816 8.108 -11.005 1.00 0.00 N ATOM 0 H ARG A 73 4.799 1.736 -11.797 1.00 0.00 H new ATOM 0 HA ARG A 73 4.497 2.650 -14.488 1.00 0.00 H new ATOM 0 HB2 ARG A 73 6.758 2.317 -12.517 1.00 0.00 H new ATOM 0 HB3 ARG A 73 7.120 2.656 -14.198 1.00 0.00 H new ATOM 0 HG2 ARG A 73 5.642 4.691 -14.053 1.00 0.00 H new ATOM 0 HG3 ARG A 73 5.430 4.371 -12.343 1.00 0.00 H new ATOM 0 HD2 ARG A 73 8.129 4.289 -12.432 1.00 0.00 H new ATOM 0 HD3 ARG A 73 7.858 5.331 -13.814 1.00 0.00 H new ATOM 0 HE ARG A 73 6.352 6.146 -11.437 1.00 0.00 H new ATOM 0 HH11 ARG A 73 9.421 6.361 -13.180 1.00 0.00 H new ATOM 0 HH12 ARG A 73 9.875 7.890 -12.420 1.00 0.00 H new ATOM 0 HH21 ARG A 73 6.947 8.107 -10.471 1.00 0.00 H new ATOM 0 HH22 ARG A 73 8.481 8.873 -10.895 1.00 0.00 H new ATOM 1195 N ARG A 74 5.597 -0.359 -13.950 1.00 0.00 N ATOM 1196 CA ARG A 74 5.958 -1.619 -14.584 1.00 0.00 C ATOM 1197 C ARG A 74 4.798 -2.168 -15.405 1.00 0.00 C ATOM 1198 O ARG A 74 5.000 -2.867 -16.398 1.00 0.00 O ATOM 1199 CB ARG A 74 6.385 -2.642 -13.531 1.00 0.00 C ATOM 1200 CG ARG A 74 7.781 -2.402 -12.980 1.00 0.00 C ATOM 1201 CD ARG A 74 8.819 -3.238 -13.710 1.00 0.00 C ATOM 1202 NE ARG A 74 10.143 -3.120 -13.103 1.00 0.00 N ATOM 1203 CZ ARG A 74 10.949 -2.075 -13.279 1.00 0.00 C ATOM 1204 NH1 ARG A 74 10.570 -1.058 -14.043 1.00 0.00 N ATOM 1205 NH2 ARG A 74 12.136 -2.048 -12.691 1.00 0.00 N ATOM 0 H ARG A 74 5.440 -0.423 -12.944 1.00 0.00 H new ATOM 0 HA ARG A 74 6.796 -1.431 -15.256 1.00 0.00 H new ATOM 0 HB2 ARG A 74 5.671 -2.624 -12.708 1.00 0.00 H new ATOM 0 HB3 ARG A 74 6.342 -3.640 -13.968 1.00 0.00 H new ATOM 0 HG2 ARG A 74 8.033 -1.346 -13.072 1.00 0.00 H new ATOM 0 HG3 ARG A 74 7.800 -2.643 -11.917 1.00 0.00 H new ATOM 0 HD2 ARG A 74 8.510 -4.283 -13.706 1.00 0.00 H new ATOM 0 HD3 ARG A 74 8.869 -2.924 -14.753 1.00 0.00 H new ATOM 0 HE ARG A 74 10.469 -3.883 -12.510 1.00 0.00 H new ATOM 0 HH11 ARG A 74 9.658 -1.075 -14.499 1.00 0.00 H new ATOM 0 HH12 ARG A 74 11.191 -0.260 -14.175 1.00 0.00 H new ATOM 0 HH21 ARG A 74 12.432 -2.828 -12.104 1.00 0.00 H new ATOM 0 HH22 ARG A 74 12.754 -1.248 -12.826 1.00 0.00 H new ATOM 1219 N LYS A 75 3.584 -1.845 -14.981 1.00 0.00 N ATOM 1220 CA LYS A 75 2.385 -2.300 -15.668 1.00 0.00 C ATOM 1221 C LYS A 75 2.139 -1.494 -16.940 1.00 0.00 C ATOM 1222 O LYS A 75 1.459 -1.955 -17.857 1.00 0.00 O ATOM 1223 CB LYS A 75 1.171 -2.200 -14.742 1.00 0.00 C ATOM 1224 CG LYS A 75 0.869 -3.488 -13.994 1.00 0.00 C ATOM 1225 CD LYS A 75 1.768 -3.651 -12.779 1.00 0.00 C ATOM 1226 CE LYS A 75 1.169 -4.615 -11.768 1.00 0.00 C ATOM 1227 NZ LYS A 75 2.207 -5.475 -11.137 1.00 0.00 N ATOM 0 H LYS A 75 3.404 -1.267 -14.160 1.00 0.00 H new ATOM 0 HA LYS A 75 2.535 -3.343 -15.948 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.340 -1.401 -14.020 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.298 -1.918 -15.330 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -0.174 -3.491 -13.679 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.002 -4.338 -14.663 1.00 0.00 H new ATOM 0 HD2 LYS A 75 2.746 -4.015 -13.095 1.00 0.00 H new ATOM 0 HD3 LYS A 75 1.925 -2.680 -12.309 1.00 0.00 H new ATOM 0 HE2 LYS A 75 0.646 -4.052 -10.995 1.00 0.00 H new ATOM 0 HE3 LYS A 75 0.428 -5.244 -12.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.152 -6.434 -11.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 3.149 -5.076 -11.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 2.046 -5.517 -10.110 1.00 0.00 H new ATOM 1241 N SER A 76 2.695 -0.289 -16.988 1.00 0.00 N ATOM 1242 CA SER A 76 2.535 0.582 -18.147 1.00 0.00 C ATOM 1243 C SER A 76 3.162 -0.034 -19.394 1.00 0.00 C ATOM 1244 O SER A 76 2.863 0.377 -20.516 1.00 0.00 O ATOM 1245 CB SER A 76 3.156 1.952 -17.872 1.00 0.00 C ATOM 1246 OG SER A 76 2.215 2.829 -17.276 1.00 0.00 O ATOM 0 H SER A 76 3.261 0.108 -16.238 1.00 0.00 H new ATOM 0 HA SER A 76 1.467 0.703 -18.328 1.00 0.00 H new ATOM 0 HB2 SER A 76 4.019 1.838 -17.215 1.00 0.00 H new ATOM 0 HB3 SER A 76 3.520 2.383 -18.804 1.00 0.00 H new ATOM 0 HG SER A 76 2.637 3.697 -17.109 1.00 0.00 H new ATOM 1252 N ARG A 77 4.029 -1.022 -19.196 1.00 0.00 N ATOM 1253 CA ARG A 77 4.689 -1.691 -20.311 1.00 0.00 C ATOM 1254 C ARG A 77 3.668 -2.317 -21.258 1.00 0.00 C ATOM 1255 O ARG A 77 3.980 -2.614 -22.412 1.00 0.00 O ATOM 1256 CB ARG A 77 5.648 -2.765 -19.793 1.00 0.00 C ATOM 1257 CG ARG A 77 6.969 -2.209 -19.288 1.00 0.00 C ATOM 1258 CD ARG A 77 7.809 -1.650 -20.425 1.00 0.00 C ATOM 1259 NE ARG A 77 8.513 -0.430 -20.038 1.00 0.00 N ATOM 1260 CZ ARG A 77 9.628 -0.416 -19.310 1.00 0.00 C ATOM 1261 NH1 ARG A 77 10.168 -1.554 -18.890 1.00 0.00 N ATOM 1262 NH2 ARG A 77 10.204 0.738 -19.002 1.00 0.00 N ATOM 0 H ARG A 77 4.290 -1.376 -18.276 1.00 0.00 H new ATOM 0 HA ARG A 77 5.256 -0.942 -20.864 1.00 0.00 H new ATOM 0 HB2 ARG A 77 5.163 -3.315 -18.987 1.00 0.00 H new ATOM 0 HB3 ARG A 77 5.846 -3.479 -20.592 1.00 0.00 H new ATOM 0 HG2 ARG A 77 6.779 -1.425 -18.555 1.00 0.00 H new ATOM 0 HG3 ARG A 77 7.524 -2.995 -18.776 1.00 0.00 H new ATOM 0 HD2 ARG A 77 8.533 -2.400 -20.744 1.00 0.00 H new ATOM 0 HD3 ARG A 77 7.167 -1.442 -21.281 1.00 0.00 H new ATOM 0 HE ARG A 77 8.128 0.464 -20.343 1.00 0.00 H new ATOM 0 HH11 ARG A 77 9.729 -2.444 -19.125 1.00 0.00 H new ATOM 0 HH12 ARG A 77 11.022 -1.538 -18.333 1.00 0.00 H new ATOM 0 HH21 ARG A 77 9.793 1.615 -19.323 1.00 0.00 H new ATOM 0 HH22 ARG A 77 11.058 0.749 -18.444 1.00 0.00 H new ATOM 1276 N ASP A 78 2.449 -2.517 -20.765 1.00 0.00 N ATOM 1277 CA ASP A 78 1.388 -3.107 -21.569 1.00 0.00 C ATOM 1278 C ASP A 78 0.919 -2.144 -22.656 1.00 0.00 C ATOM 1279 O ASP A 78 0.369 -2.562 -23.675 1.00 0.00 O ATOM 1280 CB ASP A 78 0.213 -3.511 -20.681 1.00 0.00 C ATOM 1281 CG ASP A 78 -0.047 -5.004 -20.708 1.00 0.00 C ATOM 1282 OD1 ASP A 78 -0.727 -5.472 -21.646 1.00 0.00 O ATOM 1283 OD2 ASP A 78 0.429 -5.706 -19.791 1.00 0.00 O ATOM 0 H ASP A 78 2.173 -2.278 -19.812 1.00 0.00 H new ATOM 0 HA ASP A 78 1.789 -3.997 -22.055 1.00 0.00 H new ATOM 0 HB2 ASP A 78 0.412 -3.198 -19.656 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -0.683 -2.983 -21.007 1.00 0.00 H new ATOM 1288 N LEU A 79 1.139 -0.854 -22.430 1.00 0.00 N ATOM 1289 CA LEU A 79 0.739 0.170 -23.387 1.00 0.00 C ATOM 1290 C LEU A 79 1.500 0.016 -24.700 1.00 0.00 C ATOM 1291 O LEU A 79 2.488 0.709 -24.941 1.00 0.00 O ATOM 1292 CB LEU A 79 0.980 1.564 -22.805 1.00 0.00 C ATOM 1293 CG LEU A 79 0.042 1.960 -21.663 1.00 0.00 C ATOM 1294 CD1 LEU A 79 0.379 3.354 -21.156 1.00 0.00 C ATOM 1295 CD2 LEU A 79 -1.408 1.891 -22.118 1.00 0.00 C ATOM 0 H LEU A 79 1.593 -0.492 -21.591 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.325 0.047 -23.589 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.008 1.619 -22.446 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.883 2.297 -23.606 1.00 0.00 H new ATOM 0 HG LEU A 79 0.178 1.255 -20.843 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.298 3.619 -20.344 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.406 3.370 -20.792 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.271 4.073 -21.968 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.062 2.176 -21.294 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.560 2.574 -22.954 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.643 0.874 -22.433 1.00 0.00 H new ATOM 1307 N VAL A 80 1.033 -0.897 -25.546 1.00 0.00 N ATOM 1308 CA VAL A 80 1.670 -1.141 -26.834 1.00 0.00 C ATOM 1309 C VAL A 80 1.641 0.114 -27.708 1.00 0.00 C ATOM 1310 O VAL A 80 0.581 0.523 -28.181 1.00 0.00 O ATOM 1311 CB VAL A 80 0.983 -2.299 -27.587 1.00 0.00 C ATOM 1312 CG1 VAL A 80 -0.479 -1.974 -27.853 1.00 0.00 C ATOM 1313 CG2 VAL A 80 1.715 -2.604 -28.885 1.00 0.00 C ATOM 0 H VAL A 80 0.216 -1.479 -25.362 1.00 0.00 H new ATOM 0 HA VAL A 80 2.706 -1.414 -26.632 1.00 0.00 H new ATOM 0 HB VAL A 80 1.023 -3.188 -26.958 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -0.945 -2.803 -28.385 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.994 -1.815 -26.906 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.546 -1.071 -28.459 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.215 -3.424 -29.401 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.712 -1.719 -29.521 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.744 -2.888 -28.664 1.00 0.00 H new ATOM 1323 N PRO A 81 2.808 0.746 -27.935 1.00 0.00 N ATOM 1324 CA PRO A 81 2.900 1.958 -28.756 1.00 0.00 C ATOM 1325 C PRO A 81 2.610 1.692 -30.230 1.00 0.00 C ATOM 1326 O PRO A 81 2.390 2.622 -31.006 1.00 0.00 O ATOM 1327 CB PRO A 81 4.348 2.410 -28.570 1.00 0.00 C ATOM 1328 CG PRO A 81 5.084 1.169 -28.214 1.00 0.00 C ATOM 1329 CD PRO A 81 4.124 0.335 -27.414 1.00 0.00 C ATOM 0 HA PRO A 81 2.165 2.704 -28.455 1.00 0.00 H new ATOM 0 HB2 PRO A 81 4.744 2.858 -29.481 1.00 0.00 H new ATOM 0 HB3 PRO A 81 4.431 3.160 -27.784 1.00 0.00 H new ATOM 0 HG2 PRO A 81 5.410 0.639 -29.108 1.00 0.00 H new ATOM 0 HG3 PRO A 81 5.979 1.398 -27.635 1.00 0.00 H new ATOM 0 HD2 PRO A 81 4.299 -0.731 -27.558 1.00 0.00 H new ATOM 0 HD3 PRO A 81 4.213 0.531 -26.346 1.00 0.00 H new ATOM 1337 N ARG A 82 2.608 0.418 -30.610 1.00 0.00 N ATOM 1338 CA ARG A 82 2.343 0.031 -31.987 1.00 0.00 C ATOM 1339 C ARG A 82 1.904 -1.428 -32.067 1.00 0.00 C ATOM 1340 O ARG A 82 2.669 -2.301 -31.606 1.00 0.00 O ATOM 1341 CB ARG A 82 3.586 0.250 -32.852 1.00 0.00 C ATOM 1342 CG ARG A 82 3.929 1.715 -33.066 1.00 0.00 C ATOM 1343 CD ARG A 82 5.018 1.885 -34.112 1.00 0.00 C ATOM 1344 NE ARG A 82 4.807 3.074 -34.934 1.00 0.00 N ATOM 1345 CZ ARG A 82 5.589 3.419 -35.955 1.00 0.00 C ATOM 1346 NH1 ARG A 82 6.634 2.669 -36.282 1.00 0.00 N ATOM 1347 NH2 ARG A 82 5.325 4.517 -36.650 1.00 0.00 N ATOM 1348 OXT ARG A 82 0.799 -1.685 -32.589 1.00 0.00 O ATOM 0 H ARG A 82 2.788 -0.364 -29.980 1.00 0.00 H new ATOM 0 HA ARG A 82 1.534 0.657 -32.363 1.00 0.00 H new ATOM 0 HB2 ARG A 82 4.435 -0.249 -32.385 1.00 0.00 H new ATOM 0 HB3 ARG A 82 3.432 -0.224 -33.822 1.00 0.00 H new ATOM 0 HG2 ARG A 82 3.036 2.257 -33.377 1.00 0.00 H new ATOM 0 HG3 ARG A 82 4.256 2.155 -32.124 1.00 0.00 H new ATOM 0 HD2 ARG A 82 5.987 1.953 -33.618 1.00 0.00 H new ATOM 0 HD3 ARG A 82 5.047 1.003 -34.751 1.00 0.00 H new ATOM 0 HE ARG A 82 4.014 3.676 -34.713 1.00 0.00 H new ATOM 0 HH11 ARG A 82 6.841 1.824 -35.750 1.00 0.00 H new ATOM 0 HH12 ARG A 82 7.230 2.938 -37.065 1.00 0.00 H new ATOM 0 HH21 ARG A 82 4.523 5.097 -36.402 1.00 0.00 H new ATOM 0 HH22 ARG A 82 5.924 4.782 -37.432 1.00 0.00 H new TER 1362 ARG A 82