USER MOD reduce.3.24.130724 H: found=0, std=0, add=868, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 871 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 73 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 77 LYS NZ :NH3+ -136:sc=-0.00339 (180deg=-0.587) USER MOD Set 2.1: A 7 HIS : no HD1:sc= -2.23 X(o=-2.2,f=-2.6!) USER MOD Set 2.2: A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 151:sc= -0.853 (180deg=-3.53!) USER MOD Single : A 9 HIS :FLIP no HD1:sc= -0.537 F(o=-2,f=-0.54) USER MOD Single : A 11 THR OG1 : rot -27:sc= 0.912 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= -0.225 X(o=-0.22,f=-0.056) USER MOD Single : A 20 HIS : no HD1:sc= -0.0215 X(o=-0.021,f=-0.16) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -2.22 K(o=-2.2,f=-4!) USER MOD Single : A 29 THR OG1 : rot 160:sc= -1.12 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 165:sc= -4.62! (180deg=-5.46!) USER MOD Single : A 42 ASN : amide:sc= -0.159 X(o=-0.16,f=0) USER MOD Single : A 46 TYR OH : rot 150:sc= -1.18 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl -149:sc=-0.00226 (180deg=-0.279) USER MOD Single : A 57 SER OG : rot 157:sc= -1.24 USER MOD Single : A 59 ASN : amide:sc= -0.651 K(o=-0.65,f=-3.5!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 71 LYS NZ :NH3+ 175:sc= -1.85 (180deg=-1.93) USER MOD Single : A 74 LYS NZ :NH3+ -139:sc= 1.27 (180deg=0.853) USER MOD Single : A 76 GLN : amide:sc= -2.62! C(o=-2.6!,f=-6.1!) USER MOD Single : A 82 LYS NZ :NH3+ -160:sc= -0.0154 (180deg=-0.149) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : B 89 SER OG : rot 22:sc= 0.707 USER MOD Single : B 91 THR OG1 : rot 180:sc= 0 USER MOD Single : B 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 96 SER OG : rot 180:sc= -1.04 USER MOD Single : B 102 SER OG : rot -139:sc= 0.23 USER MOD Single : B 104 MET CE :methyl 159:sc= -0.395 (180deg=-1.16) USER MOD Single : B 106 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -25.464 -29.298 -3.027 1.00 0.00 N ATOM 2 CA GLY A 1 -25.816 -29.083 -4.459 1.00 0.00 C ATOM 3 C GLY A 1 -24.595 -29.058 -5.358 1.00 0.00 C ATOM 4 O GLY A 1 -24.051 -30.107 -5.705 1.00 0.00 O ATOM 0 H1 GLY A 1 -26.332 -29.307 -2.454 1.00 0.00 H new ATOM 0 H2 GLY A 1 -24.971 -30.208 -2.924 1.00 0.00 H new ATOM 0 H3 GLY A 1 -24.843 -28.529 -2.703 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -26.489 -29.875 -4.787 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -26.357 -28.142 -4.560 1.00 0.00 H new ATOM 10 N VAL A 2 -24.165 -27.859 -5.735 1.00 0.00 N ATOM 11 CA VAL A 2 -23.001 -27.702 -6.598 1.00 0.00 C ATOM 12 C VAL A 2 -22.149 -26.515 -6.162 1.00 0.00 C ATOM 13 O VAL A 2 -22.527 -25.765 -5.262 1.00 0.00 O ATOM 14 CB VAL A 2 -23.416 -27.506 -8.069 1.00 0.00 C ATOM 15 CG1 VAL A 2 -24.091 -28.760 -8.605 1.00 0.00 C ATOM 16 CG2 VAL A 2 -24.330 -26.298 -8.210 1.00 0.00 C ATOM 0 H VAL A 2 -24.605 -26.982 -5.456 1.00 0.00 H new ATOM 0 HA VAL A 2 -22.417 -28.618 -6.510 1.00 0.00 H new ATOM 0 HB VAL A 2 -22.518 -27.324 -8.659 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -24.377 -28.603 -9.645 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -23.400 -29.601 -8.542 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -24.980 -28.976 -8.013 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -24.613 -26.176 -9.256 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -25.226 -26.447 -7.607 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -23.807 -25.405 -7.868 1.00 0.00 H new ATOM 26 N ARG A 3 -20.998 -26.352 -6.805 1.00 0.00 N ATOM 27 CA ARG A 3 -20.092 -25.256 -6.483 1.00 0.00 C ATOM 28 C ARG A 3 -19.260 -24.860 -7.699 1.00 0.00 C ATOM 29 O ARG A 3 -18.858 -25.712 -8.493 1.00 0.00 O ATOM 30 CB ARG A 3 -19.168 -25.651 -5.329 1.00 0.00 C ATOM 31 CG ARG A 3 -19.703 -25.264 -3.960 1.00 0.00 C ATOM 32 CD ARG A 3 -18.617 -25.327 -2.899 1.00 0.00 C ATOM 33 NE ARG A 3 -19.125 -25.833 -1.626 1.00 0.00 N ATOM 34 CZ ARG A 3 -18.348 -26.311 -0.656 1.00 0.00 C ATOM 35 NH1 ARG A 3 -17.031 -26.351 -0.809 1.00 0.00 N ATOM 36 NH2 ARG A 3 -18.892 -26.750 0.472 1.00 0.00 N ATOM 0 H ARG A 3 -20.671 -26.965 -7.552 1.00 0.00 H new ATOM 0 HA ARG A 3 -20.695 -24.399 -6.182 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -19.008 -26.729 -5.356 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -18.196 -25.181 -5.476 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -20.115 -24.256 -4.001 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -20.520 -25.931 -3.686 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -17.807 -25.968 -3.247 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -18.196 -24.333 -2.752 1.00 0.00 H new ATOM 0 HE ARG A 3 -20.133 -25.819 -1.471 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -16.608 -26.014 -1.674 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -16.442 -26.718 -0.062 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -19.904 -26.721 0.595 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -18.298 -27.116 1.216 1.00 0.00 H new ATOM 50 N LYS A 4 -19.001 -23.564 -7.836 1.00 0.00 N ATOM 51 CA LYS A 4 -18.213 -23.049 -8.947 1.00 0.00 C ATOM 52 C LYS A 4 -16.902 -23.807 -9.094 1.00 0.00 C ATOM 53 O LYS A 4 -16.411 -24.396 -8.132 1.00 0.00 O ATOM 54 CB LYS A 4 -17.873 -21.577 -8.717 1.00 0.00 C ATOM 55 CG LYS A 4 -19.019 -20.733 -8.166 1.00 0.00 C ATOM 56 CD LYS A 4 -18.502 -19.626 -7.257 1.00 0.00 C ATOM 57 CE LYS A 4 -18.790 -19.905 -5.788 1.00 0.00 C ATOM 58 NZ LYS A 4 -18.723 -21.359 -5.468 1.00 0.00 N ATOM 0 H LYS A 4 -19.328 -22.848 -7.187 1.00 0.00 H new ATOM 0 HA LYS A 4 -18.813 -23.172 -9.849 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -17.032 -21.517 -8.027 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -17.542 -21.143 -9.661 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -19.581 -20.296 -8.991 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -19.709 -21.370 -7.612 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -17.427 -19.514 -7.400 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -18.962 -18.680 -7.542 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -18.073 -19.365 -5.170 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -19.779 -19.524 -5.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -18.435 -21.483 -4.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -19.658 -21.790 -5.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -18.029 -21.820 -6.090 1.00 0.00 H new ATOM 72 N GLY A 5 -16.294 -23.725 -10.279 1.00 0.00 N ATOM 73 CA GLY A 5 -14.993 -24.341 -10.474 1.00 0.00 C ATOM 74 C GLY A 5 -13.977 -23.474 -9.770 1.00 0.00 C ATOM 75 O GLY A 5 -13.129 -22.833 -10.392 1.00 0.00 O ATOM 0 H GLY A 5 -16.675 -23.249 -11.096 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -14.982 -25.353 -10.069 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -14.761 -24.421 -11.536 1.00 0.00 H new ATOM 79 N TRP A 6 -14.157 -23.391 -8.461 1.00 0.00 N ATOM 80 CA TRP A 6 -13.369 -22.533 -7.599 1.00 0.00 C ATOM 81 C TRP A 6 -12.051 -23.134 -7.140 1.00 0.00 C ATOM 82 O TRP A 6 -10.977 -22.608 -7.427 1.00 0.00 O ATOM 83 CB TRP A 6 -14.221 -22.258 -6.365 1.00 0.00 C ATOM 84 CG TRP A 6 -14.388 -20.821 -6.065 1.00 0.00 C ATOM 85 CD1 TRP A 6 -15.557 -20.144 -5.944 1.00 0.00 C ATOM 86 CD2 TRP A 6 -13.346 -19.889 -5.846 1.00 0.00 C ATOM 87 NE1 TRP A 6 -15.303 -18.831 -5.641 1.00 0.00 N ATOM 88 CE2 TRP A 6 -13.943 -18.652 -5.580 1.00 0.00 C ATOM 89 CE3 TRP A 6 -11.962 -19.988 -5.846 1.00 0.00 C ATOM 90 CZ2 TRP A 6 -13.194 -17.515 -5.313 1.00 0.00 C ATOM 91 CZ3 TRP A 6 -11.212 -18.870 -5.586 1.00 0.00 C ATOM 92 CH2 TRP A 6 -11.828 -17.640 -5.318 1.00 0.00 C ATOM 0 H TRP A 6 -14.867 -23.928 -7.963 1.00 0.00 H new ATOM 0 HA TRP A 6 -13.109 -21.641 -8.170 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -15.204 -22.707 -6.506 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -13.767 -22.749 -5.504 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -16.540 -20.574 -6.068 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -16.006 -18.109 -5.487 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -11.482 -20.934 -6.048 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -13.669 -16.567 -5.109 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -10.134 -18.938 -5.588 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -11.216 -16.775 -5.112 1.00 0.00 H new ATOM 103 N HIS A 7 -12.152 -24.203 -6.379 1.00 0.00 N ATOM 104 CA HIS A 7 -10.974 -24.850 -5.812 1.00 0.00 C ATOM 105 C HIS A 7 -10.225 -25.702 -6.830 1.00 0.00 C ATOM 106 O HIS A 7 -9.092 -26.116 -6.588 1.00 0.00 O ATOM 107 CB HIS A 7 -11.391 -25.728 -4.638 1.00 0.00 C ATOM 108 CG HIS A 7 -10.304 -25.953 -3.634 1.00 0.00 C ATOM 109 ND1 HIS A 7 -9.800 -24.950 -2.831 1.00 0.00 N ATOM 110 CD2 HIS A 7 -9.625 -27.076 -3.299 1.00 0.00 C ATOM 111 CE1 HIS A 7 -8.859 -25.446 -2.049 1.00 0.00 C ATOM 112 NE2 HIS A 7 -8.735 -26.733 -2.313 1.00 0.00 N ATOM 0 H HIS A 7 -13.037 -24.648 -6.135 1.00 0.00 H new ATOM 0 HA HIS A 7 -10.299 -24.059 -5.484 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -12.244 -25.269 -4.139 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -11.726 -26.693 -5.019 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -9.759 -28.058 -3.728 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -8.288 -24.893 -1.318 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -8.082 -27.370 -1.857 1.00 0.00 H new ATOM 121 N GLU A 8 -10.867 -25.981 -7.954 1.00 0.00 N ATOM 122 CA GLU A 8 -10.263 -26.812 -8.997 1.00 0.00 C ATOM 123 C GLU A 8 -8.812 -26.417 -9.271 1.00 0.00 C ATOM 124 O GLU A 8 -7.936 -27.278 -9.345 1.00 0.00 O ATOM 125 CB GLU A 8 -11.066 -26.727 -10.300 1.00 0.00 C ATOM 126 CG GLU A 8 -11.821 -25.419 -10.485 1.00 0.00 C ATOM 127 CD GLU A 8 -11.710 -24.877 -11.896 1.00 0.00 C ATOM 128 OE1 GLU A 8 -12.185 -25.554 -12.831 1.00 0.00 O ATOM 129 OE2 GLU A 8 -11.150 -23.773 -12.065 1.00 0.00 O ATOM 0 H GLU A 8 -11.806 -25.647 -8.172 1.00 0.00 H new ATOM 0 HA GLU A 8 -10.278 -27.838 -8.628 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -10.387 -26.863 -11.141 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -11.778 -27.552 -10.329 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -12.872 -25.573 -10.240 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -11.435 -24.679 -9.784 1.00 0.00 H new ATOM 136 N HIS A 9 -8.558 -25.123 -9.432 1.00 0.00 N ATOM 137 CA HIS A 9 -7.202 -24.656 -9.710 1.00 0.00 C ATOM 138 C HIS A 9 -6.740 -23.588 -8.722 1.00 0.00 C ATOM 139 O HIS A 9 -5.817 -22.827 -9.012 1.00 0.00 O ATOM 140 CB HIS A 9 -7.107 -24.120 -11.139 1.00 0.00 C ATOM 141 CG HIS A 9 -5.708 -24.063 -11.666 1.00 0.00 C ATOM 142 ND1 HIS A 9 -4.740 -23.126 -11.516 1.00 0.00 N flip ATOM 143 CD2 HIS A 9 -5.159 -25.053 -12.455 1.00 0.00 C flip ATOM 144 CE1 HIS A 9 -3.639 -23.565 -12.208 1.00 0.00 C flip ATOM 145 NE2 HIS A 9 -3.916 -24.729 -12.765 1.00 0.00 N flip ATOM 0 H HIS A 9 -9.261 -24.386 -9.376 1.00 0.00 H new ATOM 0 HA HIS A 9 -6.540 -25.514 -9.596 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -7.708 -24.750 -11.795 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -7.540 -23.120 -11.173 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -5.666 -25.953 -12.770 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -2.697 -23.042 -12.284 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -3.279 -25.284 -13.337 1.00 0.00 H new ATOM 154 N VAL A 10 -7.354 -23.554 -7.547 1.00 0.00 N ATOM 155 CA VAL A 10 -6.960 -22.597 -6.520 1.00 0.00 C ATOM 156 C VAL A 10 -6.206 -23.319 -5.416 1.00 0.00 C ATOM 157 O VAL A 10 -5.096 -22.932 -5.050 1.00 0.00 O ATOM 158 CB VAL A 10 -8.171 -21.840 -5.931 1.00 0.00 C ATOM 159 CG1 VAL A 10 -7.749 -20.980 -4.749 1.00 0.00 C ATOM 160 CG2 VAL A 10 -8.819 -20.988 -7.008 1.00 0.00 C ATOM 0 H VAL A 10 -8.121 -24.172 -7.282 1.00 0.00 H new ATOM 0 HA VAL A 10 -6.314 -21.854 -6.987 1.00 0.00 H new ATOM 0 HB VAL A 10 -8.898 -22.569 -5.572 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -8.618 -20.457 -4.351 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -7.320 -21.614 -3.973 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.006 -20.253 -5.075 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -9.672 -20.456 -6.587 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -8.094 -20.268 -7.387 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -9.156 -21.627 -7.824 1.00 0.00 H new ATOM 170 N THR A 11 -6.805 -24.390 -4.910 1.00 0.00 N ATOM 171 CA THR A 11 -6.183 -25.197 -3.867 1.00 0.00 C ATOM 172 C THR A 11 -5.755 -24.340 -2.676 1.00 0.00 C ATOM 173 O THR A 11 -5.784 -23.111 -2.735 1.00 0.00 O ATOM 174 CB THR A 11 -4.977 -25.945 -4.443 1.00 0.00 C ATOM 175 OG1 THR A 11 -3.832 -25.110 -4.465 1.00 0.00 O ATOM 176 CG2 THR A 11 -5.200 -26.455 -5.857 1.00 0.00 C ATOM 0 H THR A 11 -7.723 -24.721 -5.206 1.00 0.00 H new ATOM 0 HA THR A 11 -6.919 -25.916 -3.508 1.00 0.00 H new ATOM 0 HB THR A 11 -4.831 -26.802 -3.785 1.00 0.00 H new ATOM 0 HG1 THR A 11 -4.111 -24.173 -4.537 1.00 0.00 H new ATOM 0 HG21 THR A 11 -4.306 -26.974 -6.202 1.00 0.00 H new ATOM 0 HG22 THR A 11 -6.046 -27.143 -5.867 1.00 0.00 H new ATOM 0 HG23 THR A 11 -5.409 -25.614 -6.518 1.00 0.00 H new ATOM 184 N GLN A 12 -5.362 -25.001 -1.593 1.00 0.00 N ATOM 185 CA GLN A 12 -4.930 -24.304 -0.385 1.00 0.00 C ATOM 186 C GLN A 12 -3.538 -23.703 -0.562 1.00 0.00 C ATOM 187 O GLN A 12 -3.270 -22.590 -0.110 1.00 0.00 O ATOM 188 CB GLN A 12 -4.937 -25.260 0.809 1.00 0.00 C ATOM 189 CG GLN A 12 -4.118 -26.520 0.585 1.00 0.00 C ATOM 190 CD GLN A 12 -3.954 -27.341 1.850 1.00 0.00 C ATOM 191 OE1 GLN A 12 -4.574 -28.393 2.005 1.00 0.00 O ATOM 192 NE2 GLN A 12 -3.117 -26.861 2.763 1.00 0.00 N ATOM 0 H GLN A 12 -5.333 -26.018 -1.526 1.00 0.00 H new ATOM 0 HA GLN A 12 -5.632 -23.491 -0.198 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -4.552 -24.737 1.684 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -5.966 -25.541 1.033 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -4.598 -27.130 -0.180 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -3.134 -26.247 0.203 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -2.624 -25.985 2.592 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -2.967 -27.369 3.635 1.00 0.00 H new ATOM 201 N ASP A 13 -2.654 -24.452 -1.214 1.00 0.00 N ATOM 202 CA ASP A 13 -1.285 -23.997 -1.441 1.00 0.00 C ATOM 203 C ASP A 13 -1.252 -22.729 -2.288 1.00 0.00 C ATOM 204 O ASP A 13 -0.687 -21.715 -1.879 1.00 0.00 O ATOM 205 CB ASP A 13 -0.469 -25.098 -2.122 1.00 0.00 C ATOM 206 CG ASP A 13 -0.141 -26.242 -1.182 1.00 0.00 C ATOM 207 OD1 ASP A 13 0.645 -26.026 -0.236 1.00 0.00 O ATOM 208 OD2 ASP A 13 -0.672 -27.352 -1.390 1.00 0.00 O ATOM 0 H ASP A 13 -2.860 -25.376 -1.594 1.00 0.00 H new ATOM 0 HA ASP A 13 -0.845 -23.768 -0.470 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -1.025 -25.482 -2.977 1.00 0.00 H new ATOM 0 HB3 ASP A 13 0.457 -24.673 -2.509 1.00 0.00 H new ATOM 213 N LEU A 14 -1.855 -22.791 -3.471 1.00 0.00 N ATOM 214 CA LEU A 14 -1.887 -21.644 -4.373 1.00 0.00 C ATOM 215 C LEU A 14 -2.556 -20.445 -3.707 1.00 0.00 C ATOM 216 O LEU A 14 -2.216 -19.297 -3.990 1.00 0.00 O ATOM 217 CB LEU A 14 -2.619 -22.004 -5.668 1.00 0.00 C ATOM 218 CG LEU A 14 -1.848 -21.701 -6.953 1.00 0.00 C ATOM 219 CD1 LEU A 14 -2.234 -22.679 -8.051 1.00 0.00 C ATOM 220 CD2 LEU A 14 -2.102 -20.267 -7.399 1.00 0.00 C ATOM 0 H LEU A 14 -2.328 -23.622 -3.827 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.859 -21.373 -4.612 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.859 -23.067 -5.648 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.566 -21.464 -5.694 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.783 -21.816 -6.752 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.675 -22.447 -8.958 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.002 -23.695 -7.731 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.302 -22.597 -8.252 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.546 -20.067 -8.315 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.167 -20.126 -7.583 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.775 -19.580 -6.619 1.00 0.00 H new ATOM 232 N ARG A 15 -3.506 -20.720 -2.820 1.00 0.00 N ATOM 233 CA ARG A 15 -4.219 -19.663 -2.113 1.00 0.00 C ATOM 234 C ARG A 15 -3.271 -18.879 -1.210 1.00 0.00 C ATOM 235 O ARG A 15 -3.271 -17.649 -1.211 1.00 0.00 O ATOM 236 CB ARG A 15 -5.360 -20.254 -1.283 1.00 0.00 C ATOM 237 CG ARG A 15 -6.430 -19.242 -0.910 1.00 0.00 C ATOM 238 CD ARG A 15 -7.784 -19.904 -0.727 1.00 0.00 C ATOM 239 NE ARG A 15 -8.623 -19.183 0.228 1.00 0.00 N ATOM 240 CZ ARG A 15 -9.685 -19.714 0.830 1.00 0.00 C ATOM 241 NH1 ARG A 15 -10.042 -20.968 0.579 1.00 0.00 N ATOM 242 NH2 ARG A 15 -10.393 -18.988 1.685 1.00 0.00 N ATOM 0 H ARG A 15 -3.800 -21.665 -2.574 1.00 0.00 H new ATOM 0 HA ARG A 15 -4.635 -18.981 -2.854 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -5.821 -21.068 -1.843 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -4.948 -20.687 -0.371 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -6.145 -18.733 0.011 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -6.498 -18.481 -1.687 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -8.294 -19.958 -1.689 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -7.643 -20.929 -0.384 1.00 0.00 H new ATOM 0 HE ARG A 15 -8.381 -18.216 0.446 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -9.501 -21.530 -0.078 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -10.857 -21.369 1.044 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -10.124 -18.024 1.881 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -11.207 -19.394 2.147 1.00 0.00 H new ATOM 256 N SER A 16 -2.463 -19.603 -0.442 1.00 0.00 N ATOM 257 CA SER A 16 -1.508 -18.979 0.466 1.00 0.00 C ATOM 258 C SER A 16 -0.526 -18.096 -0.298 1.00 0.00 C ATOM 259 O SER A 16 -0.036 -17.096 0.227 1.00 0.00 O ATOM 260 CB SER A 16 -0.747 -20.048 1.252 1.00 0.00 C ATOM 261 OG SER A 16 -1.341 -20.271 2.519 1.00 0.00 O ATOM 0 H SER A 16 -2.451 -20.623 -0.431 1.00 0.00 H new ATOM 0 HA SER A 16 -2.064 -18.352 1.163 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.732 -20.979 0.685 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.290 -19.738 1.383 1.00 0.00 H new ATOM 0 HG SER A 16 -0.836 -20.960 3.000 1.00 0.00 H new ATOM 267 N HIS A 17 -0.242 -18.473 -1.540 1.00 0.00 N ATOM 268 CA HIS A 17 0.683 -17.716 -2.376 1.00 0.00 C ATOM 269 C HIS A 17 0.062 -16.396 -2.821 1.00 0.00 C ATOM 270 O HIS A 17 0.763 -15.405 -3.021 1.00 0.00 O ATOM 271 CB HIS A 17 1.087 -18.540 -3.600 1.00 0.00 C ATOM 272 CG HIS A 17 2.511 -18.336 -4.014 1.00 0.00 C ATOM 273 ND1 HIS A 17 3.115 -19.062 -5.021 1.00 0.00 N ATOM 274 CD2 HIS A 17 3.455 -17.480 -3.554 1.00 0.00 C ATOM 275 CE1 HIS A 17 4.367 -18.664 -5.159 1.00 0.00 C ATOM 276 NE2 HIS A 17 4.598 -17.705 -4.282 1.00 0.00 N ATOM 0 H HIS A 17 -0.639 -19.298 -1.990 1.00 0.00 H new ATOM 0 HA HIS A 17 1.571 -17.496 -1.783 1.00 0.00 H new ATOM 0 HB2 HIS A 17 0.927 -19.597 -3.386 1.00 0.00 H new ATOM 0 HB3 HIS A 17 0.434 -18.282 -4.434 1.00 0.00 H new ATOM 0 HD2 HIS A 17 3.332 -16.756 -2.762 1.00 0.00 H new ATOM 0 HE1 HIS A 17 5.080 -19.057 -5.869 1.00 0.00 H new ATOM 0 HE2 HIS A 17 5.482 -17.211 -4.164 1.00 0.00 H new ATOM 285 N LEU A 18 -1.259 -16.390 -2.975 1.00 0.00 N ATOM 286 CA LEU A 18 -1.973 -15.190 -3.397 1.00 0.00 C ATOM 287 C LEU A 18 -2.185 -14.238 -2.223 1.00 0.00 C ATOM 288 O LEU A 18 -2.233 -13.022 -2.399 1.00 0.00 O ATOM 289 CB LEU A 18 -3.321 -15.565 -4.014 1.00 0.00 C ATOM 290 CG LEU A 18 -3.292 -15.826 -5.521 1.00 0.00 C ATOM 291 CD1 LEU A 18 -4.690 -16.131 -6.038 1.00 0.00 C ATOM 292 CD2 LEU A 18 -2.698 -14.634 -6.257 1.00 0.00 C ATOM 0 H LEU A 18 -1.856 -17.202 -2.814 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.366 -14.682 -4.146 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.697 -16.457 -3.513 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.031 -14.763 -3.813 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.661 -16.695 -5.707 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.649 -16.314 -7.112 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.079 -17.016 -5.534 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.345 -15.282 -5.839 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.685 -14.837 -7.328 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.303 -13.748 -6.063 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.680 -14.462 -5.908 1.00 0.00 H new ATOM 304 N VAL A 19 -2.309 -14.801 -1.025 1.00 0.00 N ATOM 305 CA VAL A 19 -2.515 -14.000 0.176 1.00 0.00 C ATOM 306 C VAL A 19 -1.331 -13.071 0.425 1.00 0.00 C ATOM 307 O VAL A 19 -1.489 -11.980 0.974 1.00 0.00 O ATOM 308 CB VAL A 19 -2.726 -14.891 1.416 1.00 0.00 C ATOM 309 CG1 VAL A 19 -3.084 -14.047 2.630 1.00 0.00 C ATOM 310 CG2 VAL A 19 -3.803 -15.931 1.145 1.00 0.00 C ATOM 0 H VAL A 19 -2.270 -15.807 -0.861 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.412 -13.404 0.010 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.792 -15.411 1.630 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.229 -14.695 3.494 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.277 -13.344 2.835 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.003 -13.496 2.432 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.940 -16.552 2.030 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.741 -15.430 0.905 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.501 -16.557 0.306 1.00 0.00 H new ATOM 320 N HIS A 20 -0.144 -13.509 0.016 1.00 0.00 N ATOM 321 CA HIS A 20 1.067 -12.716 0.195 1.00 0.00 C ATOM 322 C HIS A 20 1.059 -11.496 -0.722 1.00 0.00 C ATOM 323 O HIS A 20 1.598 -10.445 -0.378 1.00 0.00 O ATOM 324 CB HIS A 20 2.306 -13.572 -0.078 1.00 0.00 C ATOM 325 CG HIS A 20 3.179 -13.761 1.123 1.00 0.00 C ATOM 326 ND1 HIS A 20 2.689 -14.133 2.358 1.00 0.00 N ATOM 327 CD2 HIS A 20 4.518 -13.628 1.276 1.00 0.00 C ATOM 328 CE1 HIS A 20 3.689 -14.220 3.219 1.00 0.00 C ATOM 329 NE2 HIS A 20 4.808 -13.919 2.587 1.00 0.00 N ATOM 0 H HIS A 20 0.005 -14.408 -0.441 1.00 0.00 H new ATOM 0 HA HIS A 20 1.097 -12.368 1.228 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.989 -14.549 -0.444 1.00 0.00 H new ATOM 0 HB3 HIS A 20 2.890 -13.108 -0.872 1.00 0.00 H new ATOM 0 HD2 HIS A 20 5.226 -13.346 0.510 1.00 0.00 H new ATOM 0 HE1 HIS A 20 3.605 -14.491 4.261 1.00 0.00 H new ATOM 0 HE2 HIS A 20 5.738 -13.905 3.005 1.00 0.00 H new ATOM 338 N LYS A 21 0.444 -11.644 -1.892 1.00 0.00 N ATOM 339 CA LYS A 21 0.367 -10.554 -2.857 1.00 0.00 C ATOM 340 C LYS A 21 -0.343 -9.345 -2.256 1.00 0.00 C ATOM 341 O LYS A 21 0.099 -8.208 -2.419 1.00 0.00 O ATOM 342 CB LYS A 21 -0.363 -11.012 -4.121 1.00 0.00 C ATOM 343 CG LYS A 21 0.555 -11.630 -5.163 1.00 0.00 C ATOM 344 CD LYS A 21 0.069 -11.341 -6.574 1.00 0.00 C ATOM 345 CE LYS A 21 1.229 -11.079 -7.520 1.00 0.00 C ATOM 346 NZ LYS A 21 0.832 -10.207 -8.659 1.00 0.00 N ATOM 0 H LYS A 21 -0.008 -12.507 -2.194 1.00 0.00 H new ATOM 0 HA LYS A 21 1.384 -10.263 -3.120 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.128 -11.738 -3.846 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.878 -10.159 -4.563 1.00 0.00 H new ATOM 0 HG2 LYS A 21 1.565 -11.239 -5.038 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.609 -12.708 -5.009 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -0.516 -12.186 -6.939 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.594 -10.476 -6.562 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.046 -10.610 -6.971 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.606 -12.027 -7.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 1.652 -10.053 -9.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.070 -10.666 -9.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.496 -9.292 -8.295 1.00 0.00 H new ATOM 360 N LEU A 22 -1.445 -9.599 -1.558 1.00 0.00 N ATOM 361 CA LEU A 22 -2.215 -8.532 -0.929 1.00 0.00 C ATOM 362 C LEU A 22 -1.370 -7.789 0.100 1.00 0.00 C ATOM 363 O LEU A 22 -1.541 -6.588 0.309 1.00 0.00 O ATOM 364 CB LEU A 22 -3.469 -9.105 -0.262 1.00 0.00 C ATOM 365 CG LEU A 22 -4.740 -9.038 -1.110 1.00 0.00 C ATOM 366 CD1 LEU A 22 -5.620 -10.251 -0.850 1.00 0.00 C ATOM 367 CD2 LEU A 22 -5.504 -7.753 -0.825 1.00 0.00 C ATOM 0 H LEU A 22 -1.825 -10.535 -1.414 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.515 -7.827 -1.704 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.279 -10.146 -0.000 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.644 -8.568 0.671 1.00 0.00 H new ATOM 0 HG LEU A 22 -4.453 -9.041 -2.161 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -6.520 -10.186 -1.462 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -5.073 -11.159 -1.105 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.899 -10.279 0.203 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.405 -7.722 -1.437 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.780 -7.720 0.229 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.875 -6.895 -1.062 1.00 0.00 H new ATOM 379 N VAL A 23 -0.455 -8.512 0.738 1.00 0.00 N ATOM 380 CA VAL A 23 0.420 -7.923 1.744 1.00 0.00 C ATOM 381 C VAL A 23 1.505 -7.068 1.096 1.00 0.00 C ATOM 382 O VAL A 23 1.979 -6.098 1.687 1.00 0.00 O ATOM 383 CB VAL A 23 1.084 -9.008 2.613 1.00 0.00 C ATOM 384 CG1 VAL A 23 1.860 -8.376 3.759 1.00 0.00 C ATOM 385 CG2 VAL A 23 0.042 -9.983 3.139 1.00 0.00 C ATOM 0 H VAL A 23 -0.301 -9.507 0.576 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.203 -7.292 2.378 1.00 0.00 H new ATOM 0 HB VAL A 23 1.787 -9.563 1.992 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.322 -9.159 4.361 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.635 -7.723 3.357 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.180 -7.793 4.381 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.530 -10.742 3.751 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.688 -9.444 3.743 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.464 -10.462 2.301 1.00 0.00 H new ATOM 395 N GLN A 24 1.893 -7.436 -0.121 1.00 0.00 N ATOM 396 CA GLN A 24 2.922 -6.703 -0.849 1.00 0.00 C ATOM 397 C GLN A 24 2.391 -5.360 -1.343 1.00 0.00 C ATOM 398 O GLN A 24 3.144 -4.398 -1.484 1.00 0.00 O ATOM 399 CB GLN A 24 3.427 -7.530 -2.032 1.00 0.00 C ATOM 400 CG GLN A 24 4.903 -7.327 -2.331 1.00 0.00 C ATOM 401 CD GLN A 24 5.136 -6.462 -3.556 1.00 0.00 C ATOM 402 OE1 GLN A 24 4.650 -5.334 -3.634 1.00 0.00 O ATOM 403 NE2 GLN A 24 5.884 -6.989 -4.518 1.00 0.00 N ATOM 0 H GLN A 24 1.510 -8.237 -0.623 1.00 0.00 H new ATOM 0 HA GLN A 24 3.750 -6.516 -0.165 1.00 0.00 H new ATOM 0 HB2 GLN A 24 3.248 -8.586 -1.829 1.00 0.00 H new ATOM 0 HB3 GLN A 24 2.847 -7.273 -2.918 1.00 0.00 H new ATOM 0 HG2 GLN A 24 5.385 -6.866 -1.468 1.00 0.00 H new ATOM 0 HG3 GLN A 24 5.377 -8.297 -2.480 1.00 0.00 H new ATOM 0 HE21 GLN A 24 6.266 -7.928 -4.410 1.00 0.00 H new ATOM 0 HE22 GLN A 24 6.076 -6.454 -5.365 1.00 0.00 H new ATOM 412 N ALA A 25 1.089 -5.304 -1.605 1.00 0.00 N ATOM 413 CA ALA A 25 0.456 -4.080 -2.085 1.00 0.00 C ATOM 414 C ALA A 25 0.704 -2.919 -1.128 1.00 0.00 C ATOM 415 O ALA A 25 1.261 -1.891 -1.514 1.00 0.00 O ATOM 416 CB ALA A 25 -1.037 -4.298 -2.275 1.00 0.00 C ATOM 0 H ALA A 25 0.451 -6.092 -1.493 1.00 0.00 H new ATOM 0 HA ALA A 25 0.902 -3.825 -3.046 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -1.497 -3.377 -2.633 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -1.199 -5.092 -3.004 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -1.487 -4.582 -1.324 1.00 0.00 H new ATOM 422 N ILE A 26 0.287 -3.089 0.123 1.00 0.00 N ATOM 423 CA ILE A 26 0.464 -2.055 1.134 1.00 0.00 C ATOM 424 C ILE A 26 1.931 -1.925 1.535 1.00 0.00 C ATOM 425 O ILE A 26 2.393 -0.841 1.889 1.00 0.00 O ATOM 426 CB ILE A 26 -0.377 -2.348 2.392 1.00 0.00 C ATOM 427 CG1 ILE A 26 -1.823 -2.659 2.004 1.00 0.00 C ATOM 428 CG2 ILE A 26 -0.321 -1.170 3.353 1.00 0.00 C ATOM 429 CD1 ILE A 26 -2.709 -2.984 3.187 1.00 0.00 C ATOM 0 H ILE A 26 -0.176 -3.933 0.460 1.00 0.00 H new ATOM 0 HA ILE A 26 0.126 -1.118 0.691 1.00 0.00 H new ATOM 0 HB ILE A 26 0.040 -3.221 2.895 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.240 -1.804 1.472 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.832 -3.501 1.311 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.920 -1.392 4.236 1.00 0.00 H new ATOM 0 HG22 ILE A 26 0.712 -0.992 3.651 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.715 -0.281 2.862 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.720 -3.194 2.838 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.316 -3.858 3.707 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.730 -2.135 3.870 1.00 0.00 H new ATOM 441 N PHE A 27 2.656 -3.037 1.475 1.00 0.00 N ATOM 442 CA PHE A 27 4.071 -3.047 1.830 1.00 0.00 C ATOM 443 C PHE A 27 4.877 -3.871 0.828 1.00 0.00 C ATOM 444 O PHE A 27 5.154 -5.048 1.060 1.00 0.00 O ATOM 445 CB PHE A 27 4.260 -3.608 3.241 1.00 0.00 C ATOM 446 CG PHE A 27 5.315 -2.892 4.034 1.00 0.00 C ATOM 447 CD1 PHE A 27 6.548 -2.606 3.472 1.00 0.00 C ATOM 448 CD2 PHE A 27 5.072 -2.504 5.342 1.00 0.00 C ATOM 449 CE1 PHE A 27 7.521 -1.947 4.199 1.00 0.00 C ATOM 450 CE2 PHE A 27 6.041 -1.844 6.075 1.00 0.00 C ATOM 451 CZ PHE A 27 7.267 -1.566 5.503 1.00 0.00 C ATOM 0 H PHE A 27 2.288 -3.943 1.184 1.00 0.00 H new ATOM 0 HA PHE A 27 4.435 -2.020 1.804 1.00 0.00 H new ATOM 0 HB2 PHE A 27 3.312 -3.550 3.776 1.00 0.00 H new ATOM 0 HB3 PHE A 27 4.523 -4.664 3.172 1.00 0.00 H new ATOM 0 HD1 PHE A 27 6.752 -2.902 2.453 1.00 0.00 H new ATOM 0 HD2 PHE A 27 4.115 -2.720 5.794 1.00 0.00 H new ATOM 0 HE1 PHE A 27 8.478 -1.730 3.749 1.00 0.00 H new ATOM 0 HE2 PHE A 27 5.839 -1.546 7.093 1.00 0.00 H new ATOM 0 HZ PHE A 27 8.026 -1.052 6.074 1.00 0.00 H new ATOM 461 N PRO A 28 5.264 -3.259 -0.305 1.00 0.00 N ATOM 462 CA PRO A 28 6.040 -3.941 -1.345 1.00 0.00 C ATOM 463 C PRO A 28 7.477 -4.214 -0.914 1.00 0.00 C ATOM 464 O PRO A 28 7.994 -5.316 -1.100 1.00 0.00 O ATOM 465 CB PRO A 28 6.010 -2.956 -2.515 1.00 0.00 C ATOM 466 CG PRO A 28 5.820 -1.622 -1.881 1.00 0.00 C ATOM 467 CD PRO A 28 4.973 -1.857 -0.661 1.00 0.00 C ATOM 0 HA PRO A 28 5.626 -4.920 -1.584 1.00 0.00 H new ATOM 0 HB2 PRO A 28 6.936 -2.994 -3.088 1.00 0.00 H new ATOM 0 HB3 PRO A 28 5.198 -3.186 -3.205 1.00 0.00 H new ATOM 0 HG2 PRO A 28 6.778 -1.179 -1.611 1.00 0.00 H new ATOM 0 HG3 PRO A 28 5.331 -0.930 -2.567 1.00 0.00 H new ATOM 0 HD2 PRO A 28 5.236 -1.175 0.147 1.00 0.00 H new ATOM 0 HD3 PRO A 28 3.914 -1.708 -0.873 1.00 0.00 H new ATOM 475 N THR A 29 8.120 -3.202 -0.339 1.00 0.00 N ATOM 476 CA THR A 29 9.501 -3.337 0.115 1.00 0.00 C ATOM 477 C THR A 29 9.574 -4.117 1.424 1.00 0.00 C ATOM 478 O THR A 29 8.650 -4.077 2.236 1.00 0.00 O ATOM 479 CB THR A 29 10.154 -1.961 0.291 1.00 0.00 C ATOM 480 OG1 THR A 29 11.306 -2.051 1.113 1.00 0.00 O ATOM 481 CG2 THR A 29 9.235 -0.926 0.905 1.00 0.00 C ATOM 0 H THR A 29 7.709 -2.283 -0.177 1.00 0.00 H new ATOM 0 HA THR A 29 10.046 -3.890 -0.650 1.00 0.00 H new ATOM 0 HB THR A 29 10.410 -1.639 -0.719 1.00 0.00 H new ATOM 0 HG1 THR A 29 11.878 -1.270 0.961 1.00 0.00 H new ATOM 0 HG21 THR A 29 9.765 0.022 0.999 1.00 0.00 H new ATOM 0 HG22 THR A 29 8.361 -0.791 0.267 1.00 0.00 H new ATOM 0 HG23 THR A 29 8.916 -1.262 1.892 1.00 0.00 H new ATOM 489 N PRO A 30 10.685 -4.843 1.645 1.00 0.00 N ATOM 490 CA PRO A 30 10.883 -5.638 2.860 1.00 0.00 C ATOM 491 C PRO A 30 11.097 -4.766 4.094 1.00 0.00 C ATOM 492 O PRO A 30 11.569 -3.634 3.991 1.00 0.00 O ATOM 493 CB PRO A 30 12.146 -6.445 2.554 1.00 0.00 C ATOM 494 CG PRO A 30 12.884 -5.626 1.553 1.00 0.00 C ATOM 495 CD PRO A 30 11.832 -4.943 0.724 1.00 0.00 C ATOM 0 HA PRO A 30 10.013 -6.252 3.091 1.00 0.00 H new ATOM 0 HB2 PRO A 30 12.742 -6.604 3.453 1.00 0.00 H new ATOM 0 HB3 PRO A 30 11.900 -7.430 2.156 1.00 0.00 H new ATOM 0 HG2 PRO A 30 13.529 -4.897 2.044 1.00 0.00 H new ATOM 0 HG3 PRO A 30 13.525 -6.252 0.932 1.00 0.00 H new ATOM 0 HD2 PRO A 30 12.162 -3.961 0.385 1.00 0.00 H new ATOM 0 HD3 PRO A 30 11.584 -5.521 -0.166 1.00 0.00 H new ATOM 503 N ASP A 31 10.748 -5.302 5.259 1.00 0.00 N ATOM 504 CA ASP A 31 10.904 -4.574 6.512 1.00 0.00 C ATOM 505 C ASP A 31 10.878 -5.532 7.701 1.00 0.00 C ATOM 506 O ASP A 31 9.821 -5.780 8.284 1.00 0.00 O ATOM 507 CB ASP A 31 9.797 -3.528 6.657 1.00 0.00 C ATOM 508 CG ASP A 31 10.268 -2.134 6.292 1.00 0.00 C ATOM 509 OD1 ASP A 31 10.277 -1.808 5.086 1.00 0.00 O ATOM 510 OD2 ASP A 31 10.628 -1.369 7.211 1.00 0.00 O ATOM 0 H ASP A 31 10.355 -6.238 5.361 1.00 0.00 H new ATOM 0 HA ASP A 31 11.870 -4.069 6.496 1.00 0.00 H new ATOM 0 HB2 ASP A 31 8.956 -3.803 6.021 1.00 0.00 H new ATOM 0 HB3 ASP A 31 9.433 -3.528 7.684 1.00 0.00 H new ATOM 515 N PRO A 32 12.043 -6.086 8.080 1.00 0.00 N ATOM 516 CA PRO A 32 12.142 -7.018 9.207 1.00 0.00 C ATOM 517 C PRO A 32 11.708 -6.378 10.520 1.00 0.00 C ATOM 518 O PRO A 32 11.252 -7.063 11.436 1.00 0.00 O ATOM 519 CB PRO A 32 13.632 -7.383 9.254 1.00 0.00 C ATOM 520 CG PRO A 32 14.322 -6.301 8.497 1.00 0.00 C ATOM 521 CD PRO A 32 13.351 -5.846 7.446 1.00 0.00 C ATOM 0 HA PRO A 32 11.489 -7.881 9.077 1.00 0.00 H new ATOM 0 HB2 PRO A 32 13.992 -7.437 10.281 1.00 0.00 H new ATOM 0 HB3 PRO A 32 13.813 -8.358 8.801 1.00 0.00 H new ATOM 0 HG2 PRO A 32 14.597 -5.478 9.157 1.00 0.00 H new ATOM 0 HG3 PRO A 32 15.243 -6.668 8.044 1.00 0.00 H new ATOM 0 HD2 PRO A 32 13.491 -4.795 7.195 1.00 0.00 H new ATOM 0 HD3 PRO A 32 13.462 -6.412 6.521 1.00 0.00 H new ATOM 529 N ALA A 33 11.848 -5.059 10.603 1.00 0.00 N ATOM 530 CA ALA A 33 11.467 -4.324 11.802 1.00 0.00 C ATOM 531 C ALA A 33 9.959 -4.096 11.849 1.00 0.00 C ATOM 532 O ALA A 33 9.382 -3.922 12.923 1.00 0.00 O ATOM 533 CB ALA A 33 12.205 -2.995 11.863 1.00 0.00 C ATOM 0 H ALA A 33 12.223 -4.478 9.853 1.00 0.00 H new ATOM 0 HA ALA A 33 11.746 -4.922 12.669 1.00 0.00 H new ATOM 0 HB1 ALA A 33 11.911 -2.456 12.764 1.00 0.00 H new ATOM 0 HB2 ALA A 33 13.280 -3.176 11.883 1.00 0.00 H new ATOM 0 HB3 ALA A 33 11.954 -2.399 10.986 1.00 0.00 H new ATOM 539 N ALA A 34 9.325 -4.097 10.680 1.00 0.00 N ATOM 540 CA ALA A 34 7.884 -3.890 10.594 1.00 0.00 C ATOM 541 C ALA A 34 7.127 -4.989 11.331 1.00 0.00 C ATOM 542 O ALA A 34 6.045 -4.756 11.870 1.00 0.00 O ATOM 543 CB ALA A 34 7.446 -3.829 9.138 1.00 0.00 C ATOM 0 H ALA A 34 9.786 -4.239 9.781 1.00 0.00 H new ATOM 0 HA ALA A 34 7.649 -2.939 11.073 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.368 -3.674 9.088 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.954 -3.004 8.639 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.701 -4.765 8.642 1.00 0.00 H new ATOM 549 N LEU A 35 7.702 -6.186 11.352 1.00 0.00 N ATOM 550 CA LEU A 35 7.081 -7.321 12.026 1.00 0.00 C ATOM 551 C LEU A 35 6.870 -7.021 13.506 1.00 0.00 C ATOM 552 O LEU A 35 5.916 -7.501 14.118 1.00 0.00 O ATOM 553 CB LEU A 35 7.943 -8.576 11.864 1.00 0.00 C ATOM 554 CG LEU A 35 8.517 -8.795 10.462 1.00 0.00 C ATOM 555 CD1 LEU A 35 9.183 -10.158 10.366 1.00 0.00 C ATOM 556 CD2 LEU A 35 7.425 -8.659 9.410 1.00 0.00 C ATOM 0 H LEU A 35 8.597 -6.396 10.910 1.00 0.00 H new ATOM 0 HA LEU A 35 6.109 -7.498 11.566 1.00 0.00 H new ATOM 0 HB2 LEU A 35 8.769 -8.524 12.573 1.00 0.00 H new ATOM 0 HB3 LEU A 35 7.345 -9.446 12.134 1.00 0.00 H new ATOM 0 HG LEU A 35 9.271 -8.030 10.276 1.00 0.00 H new ATOM 0 HD11 LEU A 35 9.585 -10.296 9.362 1.00 0.00 H new ATOM 0 HD12 LEU A 35 9.993 -10.219 11.093 1.00 0.00 H new ATOM 0 HD13 LEU A 35 8.449 -10.937 10.573 1.00 0.00 H new ATOM 0 HD21 LEU A 35 7.852 -8.818 8.420 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.648 -9.401 9.594 1.00 0.00 H new ATOM 0 HD23 LEU A 35 6.992 -7.660 9.462 1.00 0.00 H new ATOM 568 N LYS A 36 7.767 -6.221 14.074 1.00 0.00 N ATOM 569 CA LYS A 36 7.679 -5.852 15.481 1.00 0.00 C ATOM 570 C LYS A 36 6.761 -4.648 15.671 1.00 0.00 C ATOM 571 O LYS A 36 6.188 -4.457 16.744 1.00 0.00 O ATOM 572 CB LYS A 36 9.071 -5.539 16.035 1.00 0.00 C ATOM 573 CG LYS A 36 9.789 -6.755 16.596 1.00 0.00 C ATOM 574 CD LYS A 36 10.670 -7.415 15.547 1.00 0.00 C ATOM 575 CE LYS A 36 12.123 -6.992 15.694 1.00 0.00 C ATOM 576 NZ LYS A 36 13.051 -7.960 15.048 1.00 0.00 N ATOM 0 H LYS A 36 8.563 -5.816 13.581 1.00 0.00 H new ATOM 0 HA LYS A 36 7.259 -6.696 16.027 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.679 -5.102 15.243 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.980 -4.787 16.819 1.00 0.00 H new ATOM 0 HG2 LYS A 36 10.398 -6.457 17.449 1.00 0.00 H new ATOM 0 HG3 LYS A 36 9.057 -7.474 16.962 1.00 0.00 H new ATOM 0 HD2 LYS A 36 10.595 -8.499 15.636 1.00 0.00 H new ATOM 0 HD3 LYS A 36 10.312 -7.152 14.552 1.00 0.00 H new ATOM 0 HE2 LYS A 36 12.261 -6.006 15.250 1.00 0.00 H new ATOM 0 HE3 LYS A 36 12.370 -6.903 16.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 14.031 -7.636 15.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 12.938 -8.896 15.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 12.832 -8.026 14.033 1.00 0.00 H new ATOM 590 N ASP A 37 6.624 -3.839 14.624 1.00 0.00 N ATOM 591 CA ASP A 37 5.773 -2.656 14.681 1.00 0.00 C ATOM 592 C ASP A 37 4.323 -3.040 14.953 1.00 0.00 C ATOM 593 O ASP A 37 3.809 -4.004 14.385 1.00 0.00 O ATOM 594 CB ASP A 37 5.869 -1.871 13.370 1.00 0.00 C ATOM 595 CG ASP A 37 7.023 -0.889 13.368 1.00 0.00 C ATOM 596 OD1 ASP A 37 6.919 0.152 14.051 1.00 0.00 O ATOM 597 OD2 ASP A 37 8.031 -1.159 12.683 1.00 0.00 O ATOM 0 H ASP A 37 7.091 -3.981 13.728 1.00 0.00 H new ATOM 0 HA ASP A 37 6.121 -2.027 15.500 1.00 0.00 H new ATOM 0 HB2 ASP A 37 5.987 -2.568 12.540 1.00 0.00 H new ATOM 0 HB3 ASP A 37 4.936 -1.332 13.203 1.00 0.00 H new ATOM 602 N ARG A 38 3.667 -2.280 15.824 1.00 0.00 N ATOM 603 CA ARG A 38 2.276 -2.542 16.172 1.00 0.00 C ATOM 604 C ARG A 38 1.362 -2.308 14.973 1.00 0.00 C ATOM 605 O ARG A 38 0.329 -2.962 14.830 1.00 0.00 O ATOM 606 CB ARG A 38 1.843 -1.651 17.338 1.00 0.00 C ATOM 607 CG ARG A 38 2.312 -2.153 18.693 1.00 0.00 C ATOM 608 CD ARG A 38 3.806 -1.935 18.882 1.00 0.00 C ATOM 609 NE ARG A 38 4.576 -3.142 18.595 1.00 0.00 N ATOM 610 CZ ARG A 38 4.703 -4.161 19.443 1.00 0.00 C ATOM 611 NH1 ARG A 38 4.112 -4.121 20.632 1.00 0.00 N ATOM 612 NH2 ARG A 38 5.422 -5.221 19.103 1.00 0.00 N ATOM 0 H ARG A 38 4.077 -1.477 16.302 1.00 0.00 H new ATOM 0 HA ARG A 38 2.194 -3.587 16.472 1.00 0.00 H new ATOM 0 HB2 ARG A 38 2.230 -0.645 17.179 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.756 -1.577 17.344 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.765 -1.637 19.482 1.00 0.00 H new ATOM 0 HG3 ARG A 38 2.083 -3.214 18.788 1.00 0.00 H new ATOM 0 HD2 ARG A 38 4.140 -1.128 18.229 1.00 0.00 H new ATOM 0 HD3 ARG A 38 3.999 -1.617 19.907 1.00 0.00 H new ATOM 0 HE ARG A 38 5.044 -3.209 17.691 1.00 0.00 H new ATOM 0 HH11 ARG A 38 3.558 -3.307 20.899 1.00 0.00 H new ATOM 0 HH12 ARG A 38 4.212 -4.904 21.278 1.00 0.00 H new ATOM 0 HH21 ARG A 38 5.878 -5.257 18.192 1.00 0.00 H new ATOM 0 HH22 ARG A 38 5.519 -6.001 19.753 1.00 0.00 H new ATOM 626 N ARG A 39 1.749 -1.371 14.113 1.00 0.00 N ATOM 627 CA ARG A 39 0.965 -1.050 12.927 1.00 0.00 C ATOM 628 C ARG A 39 0.821 -2.271 12.023 1.00 0.00 C ATOM 629 O ARG A 39 -0.225 -2.482 11.410 1.00 0.00 O ATOM 630 CB ARG A 39 1.617 0.099 12.154 1.00 0.00 C ATOM 631 CG ARG A 39 0.879 0.470 10.876 1.00 0.00 C ATOM 632 CD ARG A 39 1.792 0.405 9.661 1.00 0.00 C ATOM 633 NE ARG A 39 2.521 -0.860 9.590 1.00 0.00 N ATOM 634 CZ ARG A 39 3.212 -1.260 8.526 1.00 0.00 C ATOM 635 NH1 ARG A 39 3.265 -0.501 7.438 1.00 0.00 N ATOM 636 NH2 ARG A 39 3.850 -2.421 8.548 1.00 0.00 N ATOM 0 H ARG A 39 2.602 -0.821 14.216 1.00 0.00 H new ATOM 0 HA ARG A 39 -0.029 -0.742 13.251 1.00 0.00 H new ATOM 0 HB2 ARG A 39 1.671 0.975 12.800 1.00 0.00 H new ATOM 0 HB3 ARG A 39 2.642 -0.177 11.905 1.00 0.00 H new ATOM 0 HG2 ARG A 39 0.035 -0.205 10.734 1.00 0.00 H new ATOM 0 HG3 ARG A 39 0.470 1.476 10.971 1.00 0.00 H new ATOM 0 HD2 ARG A 39 1.199 0.533 8.755 1.00 0.00 H new ATOM 0 HD3 ARG A 39 2.502 1.231 9.697 1.00 0.00 H new ATOM 0 HE ARG A 39 2.499 -1.473 10.405 1.00 0.00 H new ATOM 0 HH11 ARG A 39 2.775 0.393 7.416 1.00 0.00 H new ATOM 0 HH12 ARG A 39 3.796 -0.812 6.625 1.00 0.00 H new ATOM 0 HH21 ARG A 39 3.811 -3.008 9.381 1.00 0.00 H new ATOM 0 HH22 ARG A 39 4.380 -2.727 7.732 1.00 0.00 H new ATOM 650 N MET A 40 1.879 -3.072 11.945 1.00 0.00 N ATOM 651 CA MET A 40 1.871 -4.271 11.116 1.00 0.00 C ATOM 652 C MET A 40 0.747 -5.216 11.531 1.00 0.00 C ATOM 653 O MET A 40 0.216 -5.962 10.709 1.00 0.00 O ATOM 654 CB MET A 40 3.218 -4.992 11.208 1.00 0.00 C ATOM 655 CG MET A 40 3.394 -6.091 10.174 1.00 0.00 C ATOM 656 SD MET A 40 4.337 -5.549 8.737 1.00 0.00 S ATOM 657 CE MET A 40 3.278 -6.110 7.406 1.00 0.00 C ATOM 0 H MET A 40 2.753 -2.912 12.446 1.00 0.00 H new ATOM 0 HA MET A 40 1.700 -3.964 10.084 1.00 0.00 H new ATOM 0 HB2 MET A 40 4.019 -4.263 11.090 1.00 0.00 H new ATOM 0 HB3 MET A 40 3.323 -5.422 12.204 1.00 0.00 H new ATOM 0 HG2 MET A 40 3.898 -6.941 10.635 1.00 0.00 H new ATOM 0 HG3 MET A 40 2.413 -6.440 9.850 1.00 0.00 H new ATOM 0 HE1 MET A 40 3.576 -5.627 6.475 1.00 0.00 H new ATOM 0 HE2 MET A 40 3.369 -7.191 7.299 1.00 0.00 H new ATOM 0 HE3 MET A 40 2.243 -5.854 7.632 1.00 0.00 H new ATOM 667 N GLU A 41 0.387 -5.176 12.810 1.00 0.00 N ATOM 668 CA GLU A 41 -0.677 -6.027 13.329 1.00 0.00 C ATOM 669 C GLU A 41 -1.978 -5.788 12.570 1.00 0.00 C ATOM 670 O GLU A 41 -2.761 -6.713 12.354 1.00 0.00 O ATOM 671 CB GLU A 41 -0.888 -5.763 14.822 1.00 0.00 C ATOM 672 CG GLU A 41 -1.281 -7.003 15.609 1.00 0.00 C ATOM 673 CD GLU A 41 -0.080 -7.806 16.068 1.00 0.00 C ATOM 674 OE1 GLU A 41 0.781 -8.123 15.221 1.00 0.00 O ATOM 675 OE2 GLU A 41 -0.002 -8.121 17.274 1.00 0.00 O ATOM 0 H GLU A 41 0.816 -4.564 13.505 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.380 -7.066 13.190 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.029 -5.351 15.243 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.662 -5.005 14.943 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.869 -6.706 16.478 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.921 -7.633 14.991 1.00 0.00 H new ATOM 682 N ASN A 42 -2.197 -4.542 12.165 1.00 0.00 N ATOM 683 CA ASN A 42 -3.400 -4.178 11.425 1.00 0.00 C ATOM 684 C ASN A 42 -3.266 -4.556 9.953 1.00 0.00 C ATOM 685 O ASN A 42 -4.254 -4.871 9.291 1.00 0.00 O ATOM 686 CB ASN A 42 -3.672 -2.679 11.558 1.00 0.00 C ATOM 687 CG ASN A 42 -4.190 -2.304 12.932 1.00 0.00 C ATOM 688 OD1 ASN A 42 -5.356 -1.944 13.092 1.00 0.00 O ATOM 689 ND2 ASN A 42 -3.322 -2.386 13.933 1.00 0.00 N ATOM 0 H ASN A 42 -1.557 -3.767 12.337 1.00 0.00 H new ATOM 0 HA ASN A 42 -4.239 -4.730 11.848 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -2.754 -2.127 11.356 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -4.399 -2.376 10.804 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -3.612 -2.146 14.881 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -2.365 -2.689 13.754 1.00 0.00 H new ATOM 696 N LEU A 43 -2.037 -4.522 9.448 1.00 0.00 N ATOM 697 CA LEU A 43 -1.773 -4.860 8.054 1.00 0.00 C ATOM 698 C LEU A 43 -2.236 -6.280 7.741 1.00 0.00 C ATOM 699 O LEU A 43 -2.834 -6.533 6.696 1.00 0.00 O ATOM 700 CB LEU A 43 -0.281 -4.713 7.746 1.00 0.00 C ATOM 701 CG LEU A 43 0.044 -3.907 6.487 1.00 0.00 C ATOM 702 CD1 LEU A 43 1.532 -3.600 6.419 1.00 0.00 C ATOM 703 CD2 LEU A 43 -0.405 -4.659 5.244 1.00 0.00 C ATOM 0 H LEU A 43 -1.208 -4.264 9.983 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.335 -4.170 7.425 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.205 -4.238 8.598 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.153 -5.708 7.644 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.498 -2.963 6.532 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.744 -3.026 5.517 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.824 -3.021 7.295 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.095 -4.533 6.397 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.166 -4.072 4.357 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.110 -5.618 5.193 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.481 -4.827 5.289 1.00 0.00 H new ATOM 715 N VAL A 44 -1.955 -7.202 8.656 1.00 0.00 N ATOM 716 CA VAL A 44 -2.342 -8.596 8.479 1.00 0.00 C ATOM 717 C VAL A 44 -3.859 -8.753 8.519 1.00 0.00 C ATOM 718 O VAL A 44 -4.468 -9.236 7.565 1.00 0.00 O ATOM 719 CB VAL A 44 -1.717 -9.494 9.563 1.00 0.00 C ATOM 720 CG1 VAL A 44 -1.985 -10.961 9.264 1.00 0.00 C ATOM 721 CG2 VAL A 44 -0.223 -9.230 9.679 1.00 0.00 C ATOM 0 H VAL A 44 -1.461 -7.009 9.527 1.00 0.00 H new ATOM 0 HA VAL A 44 -1.971 -8.906 7.502 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.181 -9.253 10.519 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.535 -11.579 10.041 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.060 -11.136 9.238 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.551 -11.221 8.298 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.201 -9.873 10.450 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.259 -9.441 8.724 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -0.058 -8.186 9.946 1.00 0.00 H new ATOM 731 N ALA A 45 -4.462 -8.342 9.630 1.00 0.00 N ATOM 732 CA ALA A 45 -5.908 -8.435 9.797 1.00 0.00 C ATOM 733 C ALA A 45 -6.640 -7.736 8.656 1.00 0.00 C ATOM 734 O ALA A 45 -7.706 -8.177 8.228 1.00 0.00 O ATOM 735 CB ALA A 45 -6.323 -7.842 11.135 1.00 0.00 C ATOM 0 H ALA A 45 -3.971 -7.941 10.429 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.184 -9.489 9.777 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -7.405 -7.918 11.247 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -5.836 -8.389 11.942 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -6.027 -6.794 11.176 1.00 0.00 H new ATOM 741 N TYR A 46 -6.061 -6.644 8.168 1.00 0.00 N ATOM 742 CA TYR A 46 -6.658 -5.886 7.075 1.00 0.00 C ATOM 743 C TYR A 46 -6.677 -6.709 5.793 1.00 0.00 C ATOM 744 O TYR A 46 -7.713 -6.840 5.142 1.00 0.00 O ATOM 745 CB TYR A 46 -5.888 -4.583 6.849 1.00 0.00 C ATOM 746 CG TYR A 46 -6.466 -3.720 5.750 1.00 0.00 C ATOM 747 CD1 TYR A 46 -6.313 -4.069 4.414 1.00 0.00 C ATOM 748 CD2 TYR A 46 -7.163 -2.557 6.049 1.00 0.00 C ATOM 749 CE1 TYR A 46 -6.840 -3.284 3.407 1.00 0.00 C ATOM 750 CE2 TYR A 46 -7.694 -1.766 5.047 1.00 0.00 C ATOM 751 CZ TYR A 46 -7.529 -2.133 3.728 1.00 0.00 C ATOM 752 OH TYR A 46 -8.054 -1.348 2.728 1.00 0.00 O ATOM 0 H TYR A 46 -5.179 -6.264 8.512 1.00 0.00 H new ATOM 0 HA TYR A 46 -7.686 -5.648 7.348 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -5.875 -4.013 7.778 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.852 -4.820 6.606 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -5.773 -4.969 4.159 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -7.292 -2.266 7.081 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -6.713 -3.570 2.373 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -8.235 -0.865 5.296 1.00 0.00 H new ATOM 0 HH TYR A 46 -8.859 -0.895 3.056 1.00 0.00 H new ATOM 762 N ALA A 47 -5.523 -7.265 5.435 1.00 0.00 N ATOM 763 CA ALA A 47 -5.407 -8.077 4.231 1.00 0.00 C ATOM 764 C ALA A 47 -6.138 -9.405 4.395 1.00 0.00 C ATOM 765 O ALA A 47 -6.655 -9.964 3.428 1.00 0.00 O ATOM 766 CB ALA A 47 -3.942 -8.318 3.899 1.00 0.00 C ATOM 0 H ALA A 47 -4.656 -7.167 5.963 1.00 0.00 H new ATOM 0 HA ALA A 47 -5.872 -7.534 3.408 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.869 -8.926 2.997 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -3.444 -7.362 3.734 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.462 -8.839 4.728 1.00 0.00 H new ATOM 772 N LYS A 48 -6.178 -9.904 5.626 1.00 0.00 N ATOM 773 CA LYS A 48 -6.848 -11.166 5.919 1.00 0.00 C ATOM 774 C LYS A 48 -8.346 -11.062 5.656 1.00 0.00 C ATOM 775 O LYS A 48 -8.994 -12.045 5.294 1.00 0.00 O ATOM 776 CB LYS A 48 -6.599 -11.574 7.373 1.00 0.00 C ATOM 777 CG LYS A 48 -5.382 -12.465 7.556 1.00 0.00 C ATOM 778 CD LYS A 48 -5.285 -12.989 8.979 1.00 0.00 C ATOM 779 CE LYS A 48 -4.686 -14.385 9.018 1.00 0.00 C ATOM 780 NZ LYS A 48 -5.736 -15.440 9.054 1.00 0.00 N ATOM 0 H LYS A 48 -5.754 -9.454 6.437 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.435 -11.929 5.259 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.475 -10.675 7.977 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.479 -12.094 7.751 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.436 -13.303 6.861 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.480 -11.905 7.311 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.673 -12.313 9.576 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.277 -13.005 9.431 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.053 -14.533 8.143 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.045 -14.481 9.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.286 -16.377 9.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.325 -15.315 9.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.332 -15.366 8.205 1.00 0.00 H new ATOM 794 N LYS A 49 -8.893 -9.865 5.844 1.00 0.00 N ATOM 795 CA LYS A 49 -10.317 -9.633 5.629 1.00 0.00 C ATOM 796 C LYS A 49 -10.638 -9.554 4.140 1.00 0.00 C ATOM 797 O LYS A 49 -11.679 -10.038 3.694 1.00 0.00 O ATOM 798 CB LYS A 49 -10.756 -8.344 6.326 1.00 0.00 C ATOM 799 CG LYS A 49 -12.264 -8.168 6.384 1.00 0.00 C ATOM 800 CD LYS A 49 -12.775 -7.345 5.214 1.00 0.00 C ATOM 801 CE LYS A 49 -12.628 -5.854 5.474 1.00 0.00 C ATOM 802 NZ LYS A 49 -13.876 -5.261 6.027 1.00 0.00 N ATOM 0 H LYS A 49 -8.372 -9.041 6.145 1.00 0.00 H new ATOM 0 HA LYS A 49 -10.864 -10.474 6.056 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -10.358 -8.336 7.341 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -10.319 -7.492 5.805 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -12.746 -9.146 6.380 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -12.539 -7.681 7.320 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -12.226 -7.614 4.312 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -13.823 -7.582 5.032 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -11.807 -5.686 6.171 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -12.366 -5.348 4.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -13.734 -4.244 6.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -14.655 -5.398 5.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -14.112 -5.726 6.927 1.00 0.00 H new ATOM 816 N VAL A 50 -9.739 -8.942 3.375 1.00 0.00 N ATOM 817 CA VAL A 50 -9.931 -8.800 1.937 1.00 0.00 C ATOM 818 C VAL A 50 -9.692 -10.122 1.217 1.00 0.00 C ATOM 819 O VAL A 50 -10.535 -10.574 0.443 1.00 0.00 O ATOM 820 CB VAL A 50 -8.997 -7.728 1.346 1.00 0.00 C ATOM 821 CG1 VAL A 50 -9.350 -7.453 -0.107 1.00 0.00 C ATOM 822 CG2 VAL A 50 -9.062 -6.450 2.170 1.00 0.00 C ATOM 0 H VAL A 50 -8.872 -8.537 3.727 1.00 0.00 H new ATOM 0 HA VAL A 50 -10.965 -8.490 1.786 1.00 0.00 H new ATOM 0 HB VAL A 50 -7.975 -8.104 1.381 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -8.679 -6.693 -0.507 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -9.246 -8.370 -0.687 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -10.379 -7.099 -0.171 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.395 -5.704 1.737 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -10.083 -6.068 2.170 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.754 -6.661 3.194 1.00 0.00 H new ATOM 832 N GLU A 51 -8.544 -10.743 1.479 1.00 0.00 N ATOM 833 CA GLU A 51 -8.213 -12.019 0.851 1.00 0.00 C ATOM 834 C GLU A 51 -9.374 -12.995 0.994 1.00 0.00 C ATOM 835 O GLU A 51 -9.815 -13.600 0.017 1.00 0.00 O ATOM 836 CB GLU A 51 -6.946 -12.612 1.471 1.00 0.00 C ATOM 837 CG GLU A 51 -7.006 -12.730 2.985 1.00 0.00 C ATOM 838 CD GLU A 51 -7.508 -14.085 3.446 1.00 0.00 C ATOM 839 OE1 GLU A 51 -7.474 -15.037 2.638 1.00 0.00 O ATOM 840 OE2 GLU A 51 -7.933 -14.193 4.616 1.00 0.00 O ATOM 0 H GLU A 51 -7.832 -10.386 2.117 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.030 -11.843 -0.209 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.771 -13.600 1.045 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -6.093 -11.991 1.197 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.013 -12.555 3.399 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.658 -11.951 3.381 1.00 0.00 H new ATOM 847 N GLY A 52 -9.886 -13.123 2.215 1.00 0.00 N ATOM 848 CA GLY A 52 -11.012 -14.001 2.451 1.00 0.00 C ATOM 849 C GLY A 52 -12.225 -13.553 1.664 1.00 0.00 C ATOM 850 O GLY A 52 -13.061 -14.366 1.269 1.00 0.00 O ATOM 0 H GLY A 52 -9.540 -12.635 3.041 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -10.748 -15.020 2.169 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -11.249 -14.015 3.515 1.00 0.00 H new ATOM 854 N ASP A 53 -12.306 -12.246 1.424 1.00 0.00 N ATOM 855 CA ASP A 53 -13.405 -11.670 0.664 1.00 0.00 C ATOM 856 C ASP A 53 -13.190 -11.897 -0.828 1.00 0.00 C ATOM 857 O ASP A 53 -14.145 -12.009 -1.597 1.00 0.00 O ATOM 858 CB ASP A 53 -13.525 -10.172 0.954 1.00 0.00 C ATOM 859 CG ASP A 53 -14.483 -9.878 2.092 1.00 0.00 C ATOM 860 OD1 ASP A 53 -15.648 -10.319 2.015 1.00 0.00 O ATOM 861 OD2 ASP A 53 -14.067 -9.208 3.059 1.00 0.00 O ATOM 0 H ASP A 53 -11.618 -11.566 1.748 1.00 0.00 H new ATOM 0 HA ASP A 53 -14.330 -12.161 0.966 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -12.541 -9.772 1.199 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -13.864 -9.657 0.055 1.00 0.00 H new ATOM 866 N MET A 54 -11.922 -11.968 -1.229 1.00 0.00 N ATOM 867 CA MET A 54 -11.568 -12.187 -2.624 1.00 0.00 C ATOM 868 C MET A 54 -12.042 -13.558 -3.093 1.00 0.00 C ATOM 869 O MET A 54 -12.499 -13.717 -4.225 1.00 0.00 O ATOM 870 CB MET A 54 -10.055 -12.067 -2.813 1.00 0.00 C ATOM 871 CG MET A 54 -9.529 -10.653 -2.627 1.00 0.00 C ATOM 872 SD MET A 54 -9.913 -9.580 -4.024 1.00 0.00 S ATOM 873 CE MET A 54 -11.257 -8.609 -3.347 1.00 0.00 C ATOM 0 H MET A 54 -11.122 -11.876 -0.602 1.00 0.00 H new ATOM 0 HA MET A 54 -12.063 -11.424 -3.224 1.00 0.00 H new ATOM 0 HB2 MET A 54 -9.555 -12.728 -2.105 1.00 0.00 H new ATOM 0 HB3 MET A 54 -9.793 -12.415 -3.812 1.00 0.00 H new ATOM 0 HG2 MET A 54 -9.956 -10.227 -1.719 1.00 0.00 H new ATOM 0 HG3 MET A 54 -8.449 -10.687 -2.486 1.00 0.00 H new ATOM 0 HE1 MET A 54 -11.941 -8.327 -4.147 1.00 0.00 H new ATOM 0 HE2 MET A 54 -11.793 -9.198 -2.603 1.00 0.00 H new ATOM 0 HE3 MET A 54 -10.856 -7.710 -2.879 1.00 0.00 H new ATOM 883 N TYR A 55 -11.931 -14.546 -2.211 1.00 0.00 N ATOM 884 CA TYR A 55 -12.347 -15.908 -2.525 1.00 0.00 C ATOM 885 C TYR A 55 -13.866 -16.002 -2.662 1.00 0.00 C ATOM 886 O TYR A 55 -14.392 -16.920 -3.284 1.00 0.00 O ATOM 887 CB TYR A 55 -11.850 -16.885 -1.457 1.00 0.00 C ATOM 888 CG TYR A 55 -12.000 -18.339 -1.850 1.00 0.00 C ATOM 889 CD1 TYR A 55 -11.029 -18.982 -2.612 1.00 0.00 C ATOM 890 CD2 TYR A 55 -13.117 -19.066 -1.460 1.00 0.00 C ATOM 891 CE1 TYR A 55 -11.169 -20.311 -2.974 1.00 0.00 C ATOM 892 CE2 TYR A 55 -13.264 -20.393 -1.816 1.00 0.00 C ATOM 893 CZ TYR A 55 -12.289 -21.011 -2.572 1.00 0.00 C ATOM 894 OH TYR A 55 -12.434 -22.332 -2.929 1.00 0.00 O ATOM 0 H TYR A 55 -11.555 -14.428 -1.270 1.00 0.00 H new ATOM 0 HA TYR A 55 -11.901 -16.180 -3.482 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -10.800 -16.680 -1.249 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -12.398 -16.709 -0.532 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -10.152 -18.435 -2.926 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -13.883 -18.586 -0.869 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -10.408 -20.797 -3.566 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -14.139 -20.944 -1.504 1.00 0.00 H new ATOM 0 HH TYR A 55 -13.276 -22.679 -2.566 1.00 0.00 H new ATOM 904 N GLU A 56 -14.573 -15.067 -2.054 1.00 0.00 N ATOM 905 CA GLU A 56 -16.027 -15.064 -2.110 1.00 0.00 C ATOM 906 C GLU A 56 -16.543 -14.255 -3.296 1.00 0.00 C ATOM 907 O GLU A 56 -17.575 -14.583 -3.881 1.00 0.00 O ATOM 908 CB GLU A 56 -16.582 -14.541 -0.795 1.00 0.00 C ATOM 909 CG GLU A 56 -15.925 -15.212 0.394 1.00 0.00 C ATOM 910 CD GLU A 56 -16.929 -15.710 1.418 1.00 0.00 C ATOM 911 OE1 GLU A 56 -17.417 -16.849 1.265 1.00 0.00 O ATOM 912 OE2 GLU A 56 -17.225 -14.960 2.372 1.00 0.00 O ATOM 0 H GLU A 56 -14.167 -14.301 -1.517 1.00 0.00 H new ATOM 0 HA GLU A 56 -16.374 -16.087 -2.258 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -16.427 -13.464 -0.737 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -17.658 -14.711 -0.760 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -15.323 -16.051 0.045 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -15.244 -14.508 0.872 1.00 0.00 H new ATOM 919 N SER A 57 -15.815 -13.200 -3.654 1.00 0.00 N ATOM 920 CA SER A 57 -16.201 -12.355 -4.778 1.00 0.00 C ATOM 921 C SER A 57 -16.076 -13.123 -6.090 1.00 0.00 C ATOM 922 O SER A 57 -17.010 -13.161 -6.892 1.00 0.00 O ATOM 923 CB SER A 57 -15.333 -11.096 -4.823 1.00 0.00 C ATOM 924 OG SER A 57 -15.505 -10.401 -6.045 1.00 0.00 O ATOM 0 H SER A 57 -14.957 -12.912 -3.183 1.00 0.00 H new ATOM 0 HA SER A 57 -17.241 -12.059 -4.643 1.00 0.00 H new ATOM 0 HB2 SER A 57 -15.592 -10.442 -3.990 1.00 0.00 H new ATOM 0 HB3 SER A 57 -14.285 -11.369 -4.701 1.00 0.00 H new ATOM 0 HG SER A 57 -15.258 -9.460 -5.924 1.00 0.00 H new ATOM 930 N ALA A 58 -14.920 -13.747 -6.292 1.00 0.00 N ATOM 931 CA ALA A 58 -14.668 -14.532 -7.491 1.00 0.00 C ATOM 932 C ALA A 58 -15.450 -15.815 -7.465 1.00 0.00 C ATOM 933 O ALA A 58 -15.369 -16.581 -6.514 1.00 0.00 O ATOM 934 CB ALA A 58 -13.187 -14.849 -7.621 1.00 0.00 C ATOM 0 H ALA A 58 -14.140 -13.723 -5.635 1.00 0.00 H new ATOM 0 HA ALA A 58 -14.986 -13.939 -8.348 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -13.019 -15.437 -8.524 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -12.620 -13.920 -7.682 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -12.859 -15.418 -6.751 1.00 0.00 H new ATOM 940 N ASN A 59 -16.166 -16.074 -8.538 1.00 0.00 N ATOM 941 CA ASN A 59 -16.900 -17.314 -8.647 1.00 0.00 C ATOM 942 C ASN A 59 -16.072 -18.272 -9.481 1.00 0.00 C ATOM 943 O ASN A 59 -16.521 -19.355 -9.843 1.00 0.00 O ATOM 944 CB ASN A 59 -18.281 -17.120 -9.276 1.00 0.00 C ATOM 945 CG ASN A 59 -18.208 -16.498 -10.657 1.00 0.00 C ATOM 946 OD1 ASN A 59 -17.808 -15.344 -10.810 1.00 0.00 O ATOM 947 ND2 ASN A 59 -18.596 -17.262 -11.671 1.00 0.00 N ATOM 0 H ASN A 59 -16.255 -15.449 -9.339 1.00 0.00 H new ATOM 0 HA ASN A 59 -17.071 -17.713 -7.647 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -18.785 -18.084 -9.341 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -18.886 -16.487 -8.627 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -18.570 -16.898 -12.623 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -18.921 -18.213 -11.498 1.00 0.00 H new ATOM 954 N SER A 60 -14.843 -17.847 -9.785 1.00 0.00 N ATOM 955 CA SER A 60 -13.937 -18.662 -10.584 1.00 0.00 C ATOM 956 C SER A 60 -12.485 -18.421 -10.189 1.00 0.00 C ATOM 957 O SER A 60 -12.189 -17.552 -9.368 1.00 0.00 O ATOM 958 CB SER A 60 -14.129 -18.366 -12.072 1.00 0.00 C ATOM 959 OG SER A 60 -15.400 -18.802 -12.520 1.00 0.00 O ATOM 0 H SER A 60 -14.458 -16.949 -9.490 1.00 0.00 H new ATOM 0 HA SER A 60 -14.173 -19.709 -10.394 1.00 0.00 H new ATOM 0 HB2 SER A 60 -14.025 -17.295 -12.249 1.00 0.00 H new ATOM 0 HB3 SER A 60 -13.348 -18.861 -12.648 1.00 0.00 H new ATOM 0 HG SER A 60 -15.498 -18.599 -13.474 1.00 0.00 H new ATOM 965 N ARG A 61 -11.583 -19.197 -10.780 1.00 0.00 N ATOM 966 CA ARG A 61 -10.160 -19.069 -10.492 1.00 0.00 C ATOM 967 C ARG A 61 -9.580 -17.821 -11.149 1.00 0.00 C ATOM 968 O ARG A 61 -9.022 -16.955 -10.476 1.00 0.00 O ATOM 969 CB ARG A 61 -9.405 -20.309 -10.977 1.00 0.00 C ATOM 970 CG ARG A 61 -8.249 -20.704 -10.074 1.00 0.00 C ATOM 971 CD ARG A 61 -6.913 -20.597 -10.790 1.00 0.00 C ATOM 972 NE ARG A 61 -6.671 -19.249 -11.300 1.00 0.00 N ATOM 973 CZ ARG A 61 -5.788 -18.963 -12.253 1.00 0.00 C ATOM 974 NH1 ARG A 61 -5.059 -19.926 -12.802 1.00 0.00 N ATOM 975 NH2 ARG A 61 -5.632 -17.710 -12.659 1.00 0.00 N ATOM 0 H ARG A 61 -11.812 -19.921 -11.461 1.00 0.00 H new ATOM 0 HA ARG A 61 -10.043 -18.978 -9.412 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -10.102 -21.144 -11.049 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -9.025 -20.124 -11.982 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -8.241 -20.064 -9.192 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -8.393 -21.726 -9.724 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.112 -20.875 -10.105 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.887 -21.307 -11.616 1.00 0.00 H new ATOM 0 HE ARG A 61 -7.212 -18.481 -10.901 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.174 -20.891 -12.494 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -4.383 -19.701 -13.532 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -6.189 -16.965 -12.240 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -4.955 -17.491 -13.390 1.00 0.00 H new ATOM 989 N ASP A 62 -9.720 -17.734 -12.469 1.00 0.00 N ATOM 990 CA ASP A 62 -9.213 -16.590 -13.221 1.00 0.00 C ATOM 991 C ASP A 62 -9.709 -15.280 -12.618 1.00 0.00 C ATOM 992 O ASP A 62 -8.979 -14.290 -12.575 1.00 0.00 O ATOM 993 CB ASP A 62 -9.643 -16.686 -14.686 1.00 0.00 C ATOM 994 CG ASP A 62 -8.735 -17.589 -15.498 1.00 0.00 C ATOM 995 OD1 ASP A 62 -8.815 -18.822 -15.322 1.00 0.00 O ATOM 996 OD2 ASP A 62 -7.945 -17.062 -16.309 1.00 0.00 O ATOM 0 H ASP A 62 -10.181 -18.442 -13.040 1.00 0.00 H new ATOM 0 HA ASP A 62 -8.124 -16.604 -13.167 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -10.665 -17.062 -14.738 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.647 -15.689 -15.126 1.00 0.00 H new ATOM 1001 N GLU A 63 -10.951 -15.286 -12.147 1.00 0.00 N ATOM 1002 CA GLU A 63 -11.541 -14.101 -11.540 1.00 0.00 C ATOM 1003 C GLU A 63 -10.866 -13.786 -10.210 1.00 0.00 C ATOM 1004 O GLU A 63 -10.596 -12.628 -9.898 1.00 0.00 O ATOM 1005 CB GLU A 63 -13.044 -14.304 -11.329 1.00 0.00 C ATOM 1006 CG GLU A 63 -13.751 -13.077 -10.775 1.00 0.00 C ATOM 1007 CD GLU A 63 -15.190 -12.975 -11.239 1.00 0.00 C ATOM 1008 OE1 GLU A 63 -15.797 -14.029 -11.529 1.00 0.00 O ATOM 1009 OE2 GLU A 63 -15.711 -11.843 -11.313 1.00 0.00 O ATOM 0 H GLU A 63 -11.568 -16.098 -12.174 1.00 0.00 H new ATOM 0 HA GLU A 63 -11.389 -13.259 -12.215 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -13.502 -14.579 -12.279 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -13.197 -15.140 -10.647 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -13.726 -13.108 -9.686 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -13.210 -12.181 -11.081 1.00 0.00 H new ATOM 1016 N TYR A 64 -10.592 -14.829 -9.433 1.00 0.00 N ATOM 1017 CA TYR A 64 -9.943 -14.669 -8.137 1.00 0.00 C ATOM 1018 C TYR A 64 -8.565 -14.034 -8.297 1.00 0.00 C ATOM 1019 O TYR A 64 -8.158 -13.199 -7.490 1.00 0.00 O ATOM 1020 CB TYR A 64 -9.818 -16.026 -7.438 1.00 0.00 C ATOM 1021 CG TYR A 64 -9.067 -15.971 -6.124 1.00 0.00 C ATOM 1022 CD1 TYR A 64 -9.432 -15.073 -5.129 1.00 0.00 C ATOM 1023 CD2 TYR A 64 -7.994 -16.819 -5.881 1.00 0.00 C ATOM 1024 CE1 TYR A 64 -8.748 -15.021 -3.929 1.00 0.00 C ATOM 1025 CE2 TYR A 64 -7.306 -16.774 -4.685 1.00 0.00 C ATOM 1026 CZ TYR A 64 -7.686 -15.873 -3.712 1.00 0.00 C ATOM 1027 OH TYR A 64 -7.003 -15.825 -2.518 1.00 0.00 O ATOM 0 H TYR A 64 -10.810 -15.795 -9.679 1.00 0.00 H new ATOM 0 HA TYR A 64 -10.558 -14.009 -7.525 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -10.816 -16.425 -7.258 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -9.312 -16.723 -8.106 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -10.264 -14.405 -5.296 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -7.693 -17.525 -6.640 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -9.044 -14.317 -3.166 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -6.474 -17.441 -4.512 1.00 0.00 H new ATOM 0 HH TYR A 64 -6.284 -16.491 -2.525 1.00 0.00 H new ATOM 1037 N TYR A 65 -7.851 -14.439 -9.341 1.00 0.00 N ATOM 1038 CA TYR A 65 -6.518 -13.912 -9.608 1.00 0.00 C ATOM 1039 C TYR A 65 -6.592 -12.523 -10.237 1.00 0.00 C ATOM 1040 O TYR A 65 -5.698 -11.698 -10.049 1.00 0.00 O ATOM 1041 CB TYR A 65 -5.749 -14.863 -10.529 1.00 0.00 C ATOM 1042 CG TYR A 65 -4.318 -15.097 -10.100 1.00 0.00 C ATOM 1043 CD1 TYR A 65 -3.399 -14.056 -10.082 1.00 0.00 C ATOM 1044 CD2 TYR A 65 -3.888 -16.360 -9.714 1.00 0.00 C ATOM 1045 CE1 TYR A 65 -2.091 -14.266 -9.690 1.00 0.00 C ATOM 1046 CE2 TYR A 65 -2.580 -16.578 -9.320 1.00 0.00 C ATOM 1047 CZ TYR A 65 -1.686 -15.529 -9.311 1.00 0.00 C ATOM 1048 OH TYR A 65 -0.385 -15.742 -8.920 1.00 0.00 O ATOM 0 H TYR A 65 -8.173 -15.131 -10.017 1.00 0.00 H new ATOM 0 HA TYR A 65 -5.991 -13.829 -8.657 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -6.270 -15.820 -10.565 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.754 -14.458 -11.541 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -3.712 -13.066 -10.379 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -4.585 -17.185 -9.722 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -1.389 -13.445 -9.680 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -2.261 -17.565 -9.021 1.00 0.00 H new ATOM 0 HH TYR A 65 -0.265 -16.686 -8.684 1.00 0.00 H new ATOM 1058 N HIS A 66 -7.659 -12.275 -10.990 1.00 0.00 N ATOM 1059 CA HIS A 66 -7.845 -10.989 -11.652 1.00 0.00 C ATOM 1060 C HIS A 66 -8.405 -9.944 -10.689 1.00 0.00 C ATOM 1061 O HIS A 66 -7.821 -8.876 -10.512 1.00 0.00 O ATOM 1062 CB HIS A 66 -8.782 -11.142 -12.852 1.00 0.00 C ATOM 1063 CG HIS A 66 -8.665 -10.031 -13.849 1.00 0.00 C ATOM 1064 ND1 HIS A 66 -9.315 -8.823 -13.710 1.00 0.00 N ATOM 1065 CD2 HIS A 66 -7.964 -9.947 -15.005 1.00 0.00 C ATOM 1066 CE1 HIS A 66 -9.022 -8.046 -14.737 1.00 0.00 C ATOM 1067 NE2 HIS A 66 -8.205 -8.704 -15.537 1.00 0.00 N ATOM 0 H HIS A 66 -8.408 -12.947 -11.157 1.00 0.00 H new ATOM 0 HA HIS A 66 -6.869 -10.648 -11.996 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -8.571 -12.089 -13.349 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -9.811 -11.192 -12.495 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -7.333 -10.714 -15.429 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -9.389 -7.043 -14.895 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -7.815 -8.347 -16.410 1.00 0.00 H new ATOM 1076 N LEU A 67 -9.542 -10.258 -10.074 1.00 0.00 N ATOM 1077 CA LEU A 67 -10.184 -9.343 -9.135 1.00 0.00 C ATOM 1078 C LEU A 67 -9.213 -8.906 -8.036 1.00 0.00 C ATOM 1079 O LEU A 67 -9.347 -7.818 -7.476 1.00 0.00 O ATOM 1080 CB LEU A 67 -11.439 -9.995 -8.534 1.00 0.00 C ATOM 1081 CG LEU A 67 -11.328 -10.461 -7.076 1.00 0.00 C ATOM 1082 CD1 LEU A 67 -12.676 -10.947 -6.570 1.00 0.00 C ATOM 1083 CD2 LEU A 67 -10.278 -11.555 -6.938 1.00 0.00 C ATOM 0 H LEU A 67 -10.038 -11.139 -10.209 1.00 0.00 H new ATOM 0 HA LEU A 67 -10.485 -8.448 -9.680 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -12.262 -9.284 -8.605 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -11.707 -10.854 -9.149 1.00 0.00 H new ATOM 0 HG LEU A 67 -11.016 -9.612 -6.468 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -12.580 -11.274 -5.535 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -13.401 -10.135 -6.628 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -13.016 -11.781 -7.184 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -10.216 -11.870 -5.896 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -10.556 -12.407 -7.559 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -9.309 -11.172 -7.259 1.00 0.00 H new ATOM 1095 N LEU A 68 -8.239 -9.759 -7.735 1.00 0.00 N ATOM 1096 CA LEU A 68 -7.252 -9.456 -6.704 1.00 0.00 C ATOM 1097 C LEU A 68 -6.227 -8.447 -7.213 1.00 0.00 C ATOM 1098 O LEU A 68 -5.786 -7.569 -6.472 1.00 0.00 O ATOM 1099 CB LEU A 68 -6.546 -10.735 -6.252 1.00 0.00 C ATOM 1100 CG LEU A 68 -5.967 -10.690 -4.837 1.00 0.00 C ATOM 1101 CD1 LEU A 68 -6.009 -12.069 -4.199 1.00 0.00 C ATOM 1102 CD2 LEU A 68 -4.545 -10.154 -4.861 1.00 0.00 C ATOM 0 H LEU A 68 -8.112 -10.664 -8.189 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.774 -9.019 -5.853 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.253 -11.563 -6.313 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.739 -10.953 -6.952 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.578 -10.016 -4.236 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.593 -12.017 -3.193 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.041 -12.415 -4.147 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.423 -12.765 -4.799 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -4.149 -10.129 -3.846 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.922 -10.802 -5.478 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.543 -9.146 -5.276 1.00 0.00 H new ATOM 1114 N ALA A 69 -5.854 -8.578 -8.482 1.00 0.00 N ATOM 1115 CA ALA A 69 -4.881 -7.678 -9.088 1.00 0.00 C ATOM 1116 C ALA A 69 -5.370 -6.234 -9.047 1.00 0.00 C ATOM 1117 O ALA A 69 -4.577 -5.303 -8.910 1.00 0.00 O ATOM 1118 CB ALA A 69 -4.594 -8.099 -10.522 1.00 0.00 C ATOM 0 H ALA A 69 -6.211 -9.298 -9.110 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.958 -7.739 -8.511 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.866 -7.418 -10.962 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.194 -9.113 -10.530 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -5.516 -8.068 -11.102 1.00 0.00 H new ATOM 1124 N GLU A 70 -6.682 -6.055 -9.165 1.00 0.00 N ATOM 1125 CA GLU A 70 -7.277 -4.723 -9.139 1.00 0.00 C ATOM 1126 C GLU A 70 -6.958 -4.013 -7.828 1.00 0.00 C ATOM 1127 O GLU A 70 -6.714 -2.807 -7.807 1.00 0.00 O ATOM 1128 CB GLU A 70 -8.793 -4.815 -9.327 1.00 0.00 C ATOM 1129 CG GLU A 70 -9.375 -3.670 -10.140 1.00 0.00 C ATOM 1130 CD GLU A 70 -10.883 -3.575 -10.013 1.00 0.00 C ATOM 1131 OE1 GLU A 70 -11.582 -4.453 -10.560 1.00 0.00 O ATOM 1132 OE2 GLU A 70 -11.365 -2.620 -9.368 1.00 0.00 O ATOM 0 H GLU A 70 -7.353 -6.815 -9.279 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.851 -4.145 -9.959 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -9.033 -5.758 -9.819 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -9.272 -4.835 -8.348 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -8.926 -2.732 -9.813 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -9.110 -3.802 -11.189 1.00 0.00 H new ATOM 1139 N LYS A 71 -6.958 -4.770 -6.735 1.00 0.00 N ATOM 1140 CA LYS A 71 -6.666 -4.213 -5.420 1.00 0.00 C ATOM 1141 C LYS A 71 -5.204 -3.789 -5.326 1.00 0.00 C ATOM 1142 O LYS A 71 -4.900 -2.636 -5.021 1.00 0.00 O ATOM 1143 CB LYS A 71 -6.983 -5.235 -4.326 1.00 0.00 C ATOM 1144 CG LYS A 71 -8.435 -5.212 -3.877 1.00 0.00 C ATOM 1145 CD LYS A 71 -8.770 -3.925 -3.140 1.00 0.00 C ATOM 1146 CE LYS A 71 -8.653 -4.098 -1.635 1.00 0.00 C ATOM 1147 NZ LYS A 71 -7.367 -4.741 -1.248 1.00 0.00 N ATOM 0 H LYS A 71 -7.157 -5.770 -6.735 1.00 0.00 H new ATOM 0 HA LYS A 71 -7.294 -3.334 -5.277 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -6.739 -6.233 -4.691 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -6.342 -5.045 -3.465 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -9.087 -5.316 -4.744 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -8.630 -6.066 -3.228 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -8.100 -3.131 -3.469 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -9.783 -3.612 -3.394 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.732 -3.125 -1.151 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.485 -4.703 -1.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -7.289 -4.764 -0.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -7.339 -5.712 -1.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -6.574 -4.196 -1.643 1.00 0.00 H new ATOM 1161 N ILE A 72 -4.302 -4.728 -5.594 1.00 0.00 N ATOM 1162 CA ILE A 72 -2.872 -4.450 -5.544 1.00 0.00 C ATOM 1163 C ILE A 72 -2.479 -3.436 -6.613 1.00 0.00 C ATOM 1164 O ILE A 72 -1.545 -2.656 -6.431 1.00 0.00 O ATOM 1165 CB ILE A 72 -2.043 -5.736 -5.737 1.00 0.00 C ATOM 1166 CG1 ILE A 72 -2.491 -6.812 -4.746 1.00 0.00 C ATOM 1167 CG2 ILE A 72 -0.558 -5.442 -5.571 1.00 0.00 C ATOM 1168 CD1 ILE A 72 -2.283 -8.223 -5.251 1.00 0.00 C ATOM 0 H ILE A 72 -4.537 -5.688 -5.848 1.00 0.00 H new ATOM 0 HA ILE A 72 -2.659 -4.038 -4.558 1.00 0.00 H new ATOM 0 HB ILE A 72 -2.209 -6.107 -6.748 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.944 -6.685 -3.812 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -3.547 -6.668 -4.519 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.013 -6.360 -5.710 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -0.248 -4.706 -6.313 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.374 -5.049 -4.571 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.623 -8.933 -4.497 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.852 -8.368 -6.169 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.224 -8.385 -5.451 1.00 0.00 H new ATOM 1180 N TYR A 73 -3.200 -3.456 -7.729 1.00 0.00 N ATOM 1181 CA TYR A 73 -2.933 -2.541 -8.832 1.00 0.00 C ATOM 1182 C TYR A 73 -3.272 -1.105 -8.438 1.00 0.00 C ATOM 1183 O TYR A 73 -2.419 -0.219 -8.489 1.00 0.00 O ATOM 1184 CB TYR A 73 -3.740 -2.960 -10.066 1.00 0.00 C ATOM 1185 CG TYR A 73 -3.799 -1.908 -11.153 1.00 0.00 C ATOM 1186 CD1 TYR A 73 -2.638 -1.410 -11.730 1.00 0.00 C ATOM 1187 CD2 TYR A 73 -5.019 -1.414 -11.599 1.00 0.00 C ATOM 1188 CE1 TYR A 73 -2.691 -0.449 -12.723 1.00 0.00 C ATOM 1189 CE2 TYR A 73 -5.080 -0.454 -12.590 1.00 0.00 C ATOM 1190 CZ TYR A 73 -3.914 0.025 -13.149 1.00 0.00 C ATOM 1191 OH TYR A 73 -3.970 0.982 -14.136 1.00 0.00 O ATOM 0 H TYR A 73 -3.976 -4.098 -7.893 1.00 0.00 H new ATOM 0 HA TYR A 73 -1.870 -2.586 -9.071 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -3.305 -3.870 -10.479 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -4.756 -3.204 -9.756 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -1.679 -1.779 -11.398 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -5.934 -1.787 -11.164 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -1.779 -0.072 -13.163 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -6.036 -0.080 -12.925 1.00 0.00 H new ATOM 0 HH TYR A 73 -4.906 1.207 -14.321 1.00 0.00 H new ATOM 1201 N LYS A 74 -4.523 -0.882 -8.047 1.00 0.00 N ATOM 1202 CA LYS A 74 -4.974 0.445 -7.647 1.00 0.00 C ATOM 1203 C LYS A 74 -4.146 0.978 -6.481 1.00 0.00 C ATOM 1204 O LYS A 74 -3.715 2.132 -6.489 1.00 0.00 O ATOM 1205 CB LYS A 74 -6.455 0.409 -7.262 1.00 0.00 C ATOM 1206 CG LYS A 74 -7.233 1.631 -7.722 1.00 0.00 C ATOM 1207 CD LYS A 74 -6.906 2.851 -6.878 1.00 0.00 C ATOM 1208 CE LYS A 74 -7.966 3.097 -5.816 1.00 0.00 C ATOM 1209 NZ LYS A 74 -7.546 2.585 -4.483 1.00 0.00 N ATOM 0 H LYS A 74 -5.242 -1.604 -7.999 1.00 0.00 H new ATOM 0 HA LYS A 74 -4.842 1.115 -8.496 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.911 -0.484 -7.689 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -6.538 0.322 -6.179 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -7.002 1.838 -8.767 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -8.302 1.425 -7.666 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -5.936 2.714 -6.400 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -6.824 3.727 -7.521 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -8.169 4.166 -5.747 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -8.897 2.614 -6.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -8.355 2.127 -4.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -6.779 1.893 -4.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -7.210 3.376 -3.897 1.00 0.00 H new ATOM 1223 N ILE A 75 -3.924 0.131 -5.481 1.00 0.00 N ATOM 1224 CA ILE A 75 -3.147 0.518 -4.311 1.00 0.00 C ATOM 1225 C ILE A 75 -1.682 0.740 -4.675 1.00 0.00 C ATOM 1226 O ILE A 75 -0.997 1.559 -4.062 1.00 0.00 O ATOM 1227 CB ILE A 75 -3.236 -0.546 -3.199 1.00 0.00 C ATOM 1228 CG1 ILE A 75 -4.698 -0.869 -2.888 1.00 0.00 C ATOM 1229 CG2 ILE A 75 -2.518 -0.066 -1.945 1.00 0.00 C ATOM 1230 CD1 ILE A 75 -4.901 -2.251 -2.307 1.00 0.00 C ATOM 0 H ILE A 75 -4.272 -0.828 -5.458 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.572 1.451 -3.942 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.747 -1.455 -3.549 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -5.084 -0.129 -2.187 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -5.284 -0.778 -3.802 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -2.590 -0.829 -1.170 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.469 0.119 -2.175 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -2.980 0.856 -1.591 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -5.961 -2.411 -2.111 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -4.546 -2.999 -3.015 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -4.343 -2.340 -1.375 1.00 0.00 H new ATOM 1242 N GLN A 76 -1.207 0.006 -5.677 1.00 0.00 N ATOM 1243 CA GLN A 76 0.177 0.126 -6.122 1.00 0.00 C ATOM 1244 C GLN A 76 0.467 1.538 -6.620 1.00 0.00 C ATOM 1245 O GLN A 76 1.503 2.119 -6.300 1.00 0.00 O ATOM 1246 CB GLN A 76 0.468 -0.890 -7.228 1.00 0.00 C ATOM 1247 CG GLN A 76 1.135 -2.161 -6.727 1.00 0.00 C ATOM 1248 CD GLN A 76 1.082 -3.286 -7.742 1.00 0.00 C ATOM 1249 OE1 GLN A 76 0.326 -3.228 -8.712 1.00 0.00 O ATOM 1250 NE2 GLN A 76 1.887 -4.319 -7.523 1.00 0.00 N ATOM 0 H GLN A 76 -1.759 -0.677 -6.195 1.00 0.00 H new ATOM 0 HA GLN A 76 0.827 -0.079 -5.271 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -0.466 -1.152 -7.725 1.00 0.00 H new ATOM 0 HB3 GLN A 76 1.108 -0.425 -7.978 1.00 0.00 H new ATOM 0 HG2 GLN A 76 2.175 -1.948 -6.480 1.00 0.00 H new ATOM 0 HG3 GLN A 76 0.648 -2.484 -5.807 1.00 0.00 H new ATOM 0 HE21 GLN A 76 2.498 -4.326 -6.706 1.00 0.00 H new ATOM 0 HE22 GLN A 76 1.895 -5.106 -8.172 1.00 0.00 H new ATOM 1259 N LYS A 77 -0.456 2.084 -7.404 1.00 0.00 N ATOM 1260 CA LYS A 77 -0.301 3.429 -7.946 1.00 0.00 C ATOM 1261 C LYS A 77 -0.547 4.481 -6.870 1.00 0.00 C ATOM 1262 O LYS A 77 0.037 5.564 -6.902 1.00 0.00 O ATOM 1263 CB LYS A 77 -1.262 3.644 -9.117 1.00 0.00 C ATOM 1264 CG LYS A 77 -1.251 2.510 -10.129 1.00 0.00 C ATOM 1265 CD LYS A 77 -2.298 2.720 -11.211 1.00 0.00 C ATOM 1266 CE LYS A 77 -1.684 3.302 -12.475 1.00 0.00 C ATOM 1267 NZ LYS A 77 -0.840 2.306 -13.192 1.00 0.00 N ATOM 0 H LYS A 77 -1.320 1.616 -7.678 1.00 0.00 H new ATOM 0 HA LYS A 77 0.724 3.534 -8.303 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -2.273 3.764 -8.729 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -1.003 4.574 -9.623 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -0.264 2.438 -10.585 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -1.437 1.564 -9.620 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -2.779 1.770 -11.443 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -3.075 3.389 -10.842 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -2.477 3.649 -13.137 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -1.080 4.172 -12.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 0.046 2.757 -13.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -0.623 1.512 -12.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -1.353 1.952 -14.025 1.00 0.00 H new ATOM 1281 N GLU A 78 -1.415 4.155 -5.918 1.00 0.00 N ATOM 1282 CA GLU A 78 -1.739 5.072 -4.830 1.00 0.00 C ATOM 1283 C GLU A 78 -0.491 5.430 -4.029 1.00 0.00 C ATOM 1284 O GLU A 78 -0.400 6.516 -3.456 1.00 0.00 O ATOM 1285 CB GLU A 78 -2.790 4.451 -3.909 1.00 0.00 C ATOM 1286 CG GLU A 78 -4.220 4.759 -4.321 1.00 0.00 C ATOM 1287 CD GLU A 78 -5.116 5.066 -3.138 1.00 0.00 C ATOM 1288 OE1 GLU A 78 -4.782 5.988 -2.363 1.00 0.00 O ATOM 1289 OE2 GLU A 78 -6.151 4.385 -2.985 1.00 0.00 O ATOM 0 H GLU A 78 -1.907 3.262 -5.877 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.142 5.986 -5.266 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -2.651 3.370 -3.890 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -2.628 4.811 -2.893 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -4.222 5.609 -5.003 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -4.627 3.909 -4.869 1.00 0.00 H new ATOM 1296 N LEU A 79 0.469 4.511 -3.992 1.00 0.00 N ATOM 1297 CA LEU A 79 1.712 4.731 -3.260 1.00 0.00 C ATOM 1298 C LEU A 79 2.425 5.985 -3.759 1.00 0.00 C ATOM 1299 O LEU A 79 3.122 6.657 -2.998 1.00 0.00 O ATOM 1300 CB LEU A 79 2.632 3.517 -3.401 1.00 0.00 C ATOM 1301 CG LEU A 79 3.885 3.549 -2.526 1.00 0.00 C ATOM 1302 CD1 LEU A 79 3.589 2.976 -1.149 1.00 0.00 C ATOM 1303 CD2 LEU A 79 5.019 2.784 -3.192 1.00 0.00 C ATOM 0 H LEU A 79 0.410 3.607 -4.460 1.00 0.00 H new ATOM 0 HA LEU A 79 1.464 4.871 -2.208 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.063 2.619 -3.161 1.00 0.00 H new ATOM 0 HB3 LEU A 79 2.938 3.431 -4.444 1.00 0.00 H new ATOM 0 HG LEU A 79 4.195 4.587 -2.405 1.00 0.00 H new ATOM 0 HD11 LEU A 79 4.493 3.007 -0.540 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.808 3.566 -0.670 1.00 0.00 H new ATOM 0 HD13 LEU A 79 3.254 1.944 -1.249 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.903 2.817 -2.555 1.00 0.00 H new ATOM 0 HD22 LEU A 79 4.719 1.747 -3.343 1.00 0.00 H new ATOM 0 HD23 LEU A 79 5.248 3.239 -4.155 1.00 0.00 H new ATOM 1315 N GLU A 80 2.246 6.292 -5.038 1.00 0.00 N ATOM 1316 CA GLU A 80 2.872 7.466 -5.637 1.00 0.00 C ATOM 1317 C GLU A 80 2.175 8.745 -5.186 1.00 0.00 C ATOM 1318 O GLU A 80 2.802 9.798 -5.071 1.00 0.00 O ATOM 1319 CB GLU A 80 2.838 7.365 -7.163 1.00 0.00 C ATOM 1320 CG GLU A 80 3.978 8.102 -7.847 1.00 0.00 C ATOM 1321 CD GLU A 80 4.244 7.592 -9.250 1.00 0.00 C ATOM 1322 OE1 GLU A 80 4.276 6.357 -9.437 1.00 0.00 O ATOM 1323 OE2 GLU A 80 4.420 8.427 -10.162 1.00 0.00 O ATOM 0 H GLU A 80 1.673 5.745 -5.681 1.00 0.00 H new ATOM 0 HA GLU A 80 3.909 7.502 -5.304 1.00 0.00 H new ATOM 0 HB2 GLU A 80 2.872 6.314 -7.450 1.00 0.00 H new ATOM 0 HB3 GLU A 80 1.890 7.764 -7.524 1.00 0.00 H new ATOM 0 HG2 GLU A 80 3.744 9.166 -7.889 1.00 0.00 H new ATOM 0 HG3 GLU A 80 4.883 7.998 -7.249 1.00 0.00 H new ATOM 1330 N GLU A 81 0.875 8.645 -4.930 1.00 0.00 N ATOM 1331 CA GLU A 81 0.091 9.795 -4.490 1.00 0.00 C ATOM 1332 C GLU A 81 0.448 10.182 -3.059 1.00 0.00 C ATOM 1333 O GLU A 81 0.390 11.354 -2.689 1.00 0.00 O ATOM 1334 CB GLU A 81 -1.404 9.488 -4.591 1.00 0.00 C ATOM 1335 CG GLU A 81 -2.259 10.713 -4.873 1.00 0.00 C ATOM 1336 CD GLU A 81 -2.946 11.245 -3.631 1.00 0.00 C ATOM 1337 OE1 GLU A 81 -4.064 10.780 -3.327 1.00 0.00 O ATOM 1338 OE2 GLU A 81 -2.364 12.124 -2.962 1.00 0.00 O ATOM 0 H GLU A 81 0.342 7.780 -5.019 1.00 0.00 H new ATOM 0 HA GLU A 81 0.327 10.635 -5.143 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -1.563 8.754 -5.381 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -1.736 9.030 -3.659 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.634 11.497 -5.301 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -3.012 10.462 -5.620 1.00 0.00 H new ATOM 1345 N LYS A 82 0.817 9.187 -2.256 1.00 0.00 N ATOM 1346 CA LYS A 82 1.183 9.424 -0.866 1.00 0.00 C ATOM 1347 C LYS A 82 2.488 10.208 -0.771 1.00 0.00 C ATOM 1348 O LYS A 82 2.689 10.989 0.158 1.00 0.00 O ATOM 1349 CB LYS A 82 1.319 8.095 -0.119 1.00 0.00 C ATOM 1350 CG LYS A 82 0.028 7.632 0.538 1.00 0.00 C ATOM 1351 CD LYS A 82 -0.308 8.473 1.758 1.00 0.00 C ATOM 1352 CE LYS A 82 -1.804 8.715 1.873 1.00 0.00 C ATOM 1353 NZ LYS A 82 -2.300 9.642 0.818 1.00 0.00 N ATOM 0 H LYS A 82 0.870 8.210 -2.546 1.00 0.00 H new ATOM 0 HA LYS A 82 0.391 10.014 -0.405 1.00 0.00 H new ATOM 0 HB2 LYS A 82 1.657 7.329 -0.816 1.00 0.00 H new ATOM 0 HB3 LYS A 82 2.090 8.194 0.645 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -0.789 7.690 -0.181 1.00 0.00 H new ATOM 0 HG3 LYS A 82 0.122 6.586 0.830 1.00 0.00 H new ATOM 0 HD2 LYS A 82 0.051 7.971 2.657 1.00 0.00 H new ATOM 0 HD3 LYS A 82 0.213 9.429 1.697 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -2.332 7.764 1.798 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -2.030 9.129 2.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -3.212 10.047 1.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -1.611 10.408 0.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -2.424 9.120 -0.073 1.00 0.00 H new ATOM 1367 N ARG A 83 3.372 9.996 -1.741 1.00 0.00 N ATOM 1368 CA ARG A 83 4.658 10.683 -1.768 1.00 0.00 C ATOM 1369 C ARG A 83 4.475 12.166 -2.071 1.00 0.00 C ATOM 1370 O ARG A 83 5.082 13.020 -1.424 1.00 0.00 O ATOM 1371 CB ARG A 83 5.580 10.047 -2.808 1.00 0.00 C ATOM 1372 CG ARG A 83 6.239 8.761 -2.332 1.00 0.00 C ATOM 1373 CD ARG A 83 7.220 8.220 -3.360 1.00 0.00 C ATOM 1374 NE ARG A 83 8.089 9.265 -3.897 1.00 0.00 N ATOM 1375 CZ ARG A 83 7.787 10.015 -4.956 1.00 0.00 C ATOM 1376 NH1 ARG A 83 6.635 9.847 -5.594 1.00 0.00 N ATOM 1377 NH2 ARG A 83 8.641 10.938 -5.377 1.00 0.00 N ATOM 0 H ARG A 83 3.221 9.354 -2.519 1.00 0.00 H new ATOM 0 HA ARG A 83 5.114 10.585 -0.783 1.00 0.00 H new ATOM 0 HB2 ARG A 83 5.006 9.839 -3.711 1.00 0.00 H new ATOM 0 HB3 ARG A 83 6.355 10.763 -3.081 1.00 0.00 H new ATOM 0 HG2 ARG A 83 6.760 8.945 -1.393 1.00 0.00 H new ATOM 0 HG3 ARG A 83 5.473 8.012 -2.130 1.00 0.00 H new ATOM 0 HD2 ARG A 83 7.831 7.442 -2.903 1.00 0.00 H new ATOM 0 HD3 ARG A 83 6.668 7.754 -4.176 1.00 0.00 H new ATOM 0 HE ARG A 83 8.982 9.430 -3.432 1.00 0.00 H new ATOM 0 HH11 ARG A 83 5.973 9.140 -5.274 1.00 0.00 H new ATOM 0 HH12 ARG A 83 6.411 10.425 -6.404 1.00 0.00 H new ATOM 0 HH21 ARG A 83 9.527 11.073 -4.890 1.00 0.00 H new ATOM 0 HH22 ARG A 83 8.412 11.513 -6.188 1.00 0.00 H new ATOM 1391 N ARG A 84 3.638 12.466 -3.058 1.00 0.00 N ATOM 1392 CA ARG A 84 3.381 13.850 -3.440 1.00 0.00 C ATOM 1393 C ARG A 84 2.386 14.511 -2.496 1.00 0.00 C ATOM 1394 O ARG A 84 2.110 15.705 -2.611 1.00 0.00 O ATOM 1395 CB ARG A 84 2.874 13.925 -4.881 1.00 0.00 C ATOM 1396 CG ARG A 84 1.515 13.274 -5.083 1.00 0.00 C ATOM 1397 CD ARG A 84 0.387 14.282 -4.940 1.00 0.00 C ATOM 1398 NE ARG A 84 0.593 15.459 -5.782 1.00 0.00 N ATOM 1399 CZ ARG A 84 0.341 15.488 -7.089 1.00 0.00 C ATOM 1400 NH1 ARG A 84 -0.125 14.411 -7.707 1.00 0.00 N ATOM 1401 NH2 ARG A 84 0.557 16.600 -7.779 1.00 0.00 N ATOM 0 H ARG A 84 3.128 11.773 -3.606 1.00 0.00 H new ATOM 0 HA ARG A 84 4.324 14.393 -3.370 1.00 0.00 H new ATOM 0 HB2 ARG A 84 2.815 14.971 -5.183 1.00 0.00 H new ATOM 0 HB3 ARG A 84 3.599 13.444 -5.538 1.00 0.00 H new ATOM 0 HG2 ARG A 84 1.473 12.817 -6.072 1.00 0.00 H new ATOM 0 HG3 ARG A 84 1.383 12.473 -4.356 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -0.558 13.808 -5.205 1.00 0.00 H new ATOM 0 HD3 ARG A 84 0.308 14.591 -3.898 1.00 0.00 H new ATOM 0 HE ARG A 84 0.951 16.307 -5.343 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -0.293 13.553 -7.181 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -0.316 14.440 -8.709 1.00 0.00 H new ATOM 0 HH21 ARG A 84 0.916 17.431 -7.308 1.00 0.00 H new ATOM 0 HH22 ARG A 84 0.365 16.624 -8.780 1.00 0.00 H new ATOM 1415 N SER A 85 1.866 13.742 -1.546 1.00 0.00 N ATOM 1416 CA SER A 85 0.928 14.278 -0.576 1.00 0.00 C ATOM 1417 C SER A 85 1.624 15.295 0.328 1.00 0.00 C ATOM 1418 O SER A 85 0.975 15.991 1.109 1.00 0.00 O ATOM 1419 CB SER A 85 0.328 13.151 0.268 1.00 0.00 C ATOM 1420 OG SER A 85 -0.988 13.469 0.683 1.00 0.00 O ATOM 0 H SER A 85 2.079 12.751 -1.430 1.00 0.00 H new ATOM 0 HA SER A 85 0.123 14.777 -1.115 1.00 0.00 H new ATOM 0 HB2 SER A 85 0.317 12.227 -0.309 1.00 0.00 H new ATOM 0 HB3 SER A 85 0.955 12.974 1.142 1.00 0.00 H new ATOM 0 HG SER A 85 -1.349 12.732 1.219 1.00 0.00 H new ATOM 1426 N ARG A 86 2.954 15.377 0.217 1.00 0.00 N ATOM 1427 CA ARG A 86 3.729 16.312 1.028 1.00 0.00 C ATOM 1428 C ARG A 86 4.879 16.926 0.248 1.00 0.00 C ATOM 1429 O ARG A 86 5.487 17.910 0.671 1.00 0.00 O ATOM 1430 CB ARG A 86 4.268 15.608 2.268 1.00 0.00 C ATOM 1431 CG ARG A 86 3.183 15.071 3.187 1.00 0.00 C ATOM 1432 CD ARG A 86 3.746 14.079 4.193 1.00 0.00 C ATOM 1433 NE ARG A 86 4.038 14.709 5.479 1.00 0.00 N ATOM 1434 CZ ARG A 86 4.568 14.066 6.516 1.00 0.00 C ATOM 1435 NH1 ARG A 86 4.867 12.776 6.424 1.00 0.00 N ATOM 1436 NH2 ARG A 86 4.803 14.714 7.648 1.00 0.00 N ATOM 0 H ARG A 86 3.510 14.810 -0.423 1.00 0.00 H new ATOM 0 HA ARG A 86 3.058 17.119 1.323 1.00 0.00 H new ATOM 0 HB2 ARG A 86 4.909 14.783 1.957 1.00 0.00 H new ATOM 0 HB3 ARG A 86 4.893 16.304 2.827 1.00 0.00 H new ATOM 0 HG2 ARG A 86 2.710 15.899 3.716 1.00 0.00 H new ATOM 0 HG3 ARG A 86 2.407 14.588 2.593 1.00 0.00 H new ATOM 0 HD2 ARG A 86 3.033 13.268 4.340 1.00 0.00 H new ATOM 0 HD3 ARG A 86 4.657 13.634 3.792 1.00 0.00 H new ATOM 0 HE ARG A 86 3.823 15.700 5.588 1.00 0.00 H new ATOM 0 HH11 ARG A 86 4.691 12.272 5.555 1.00 0.00 H new ATOM 0 HH12 ARG A 86 5.273 12.288 7.223 1.00 0.00 H new ATOM 0 HH21 ARG A 86 4.577 15.706 7.724 1.00 0.00 H new ATOM 0 HH22 ARG A 86 5.209 14.221 8.443 1.00 0.00 H new ATOM 1450 N LEU A 87 5.164 16.334 -0.885 1.00 0.00 N ATOM 1451 CA LEU A 87 6.238 16.796 -1.757 1.00 0.00 C ATOM 1452 C LEU A 87 7.583 16.742 -1.038 1.00 0.00 C ATOM 1453 O LEU A 87 8.324 15.759 -1.246 1.00 0.00 O ATOM 1454 CB LEU A 87 5.959 18.223 -2.233 1.00 0.00 C ATOM 1455 CG LEU A 87 6.427 18.533 -3.657 1.00 0.00 C ATOM 1456 CD1 LEU A 87 5.717 19.765 -4.195 1.00 0.00 C ATOM 1457 CD2 LEU A 87 7.935 18.726 -3.690 1.00 0.00 C ATOM 1458 OXT LEU A 87 7.883 17.684 -0.274 1.00 0.00 O ATOM 0 H LEU A 87 4.664 15.518 -1.237 1.00 0.00 H new ATOM 0 HA LEU A 87 6.281 16.134 -2.622 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.887 18.408 -2.171 1.00 0.00 H new ATOM 0 HB3 LEU A 87 6.442 18.920 -1.548 1.00 0.00 H new ATOM 0 HG LEU A 87 6.175 17.687 -4.296 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.062 19.970 -5.208 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.641 19.589 -4.207 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.938 20.620 -3.556 1.00 0.00 H new ATOM 0 HD21 LEU A 87 8.251 18.946 -4.710 1.00 0.00 H new ATOM 0 HD22 LEU A 87 8.210 19.555 -3.038 1.00 0.00 H new ATOM 0 HD23 LEU A 87 8.426 17.816 -3.346 1.00 0.00 H new TER 1470 LEU A 87 ATOM 1471 N GLY B 88 -24.172 10.087 9.784 1.00 0.00 N ATOM 1472 CA GLY B 88 -22.994 9.177 9.805 1.00 0.00 C ATOM 1473 C GLY B 88 -22.285 9.117 8.465 1.00 0.00 C ATOM 1474 O GLY B 88 -22.853 9.485 7.438 1.00 0.00 O ATOM 0 HA2 GLY B 88 -22.293 9.512 10.569 1.00 0.00 H new ATOM 0 HA3 GLY B 88 -23.317 8.175 10.087 1.00 0.00 H new ATOM 1480 N SER B 89 -21.041 8.651 8.479 1.00 0.00 N ATOM 1481 CA SER B 89 -20.253 8.543 7.256 1.00 0.00 C ATOM 1482 C SER B 89 -18.948 7.796 7.514 1.00 0.00 C ATOM 1483 O SER B 89 -18.129 8.220 8.329 1.00 0.00 O ATOM 1484 CB SER B 89 -19.955 9.934 6.693 1.00 0.00 C ATOM 1485 OG SER B 89 -19.009 10.618 7.497 1.00 0.00 O ATOM 0 H SER B 89 -20.557 8.342 9.322 1.00 0.00 H new ATOM 0 HA SER B 89 -20.835 7.980 6.526 1.00 0.00 H new ATOM 0 HB2 SER B 89 -19.575 9.844 5.675 1.00 0.00 H new ATOM 0 HB3 SER B 89 -20.877 10.513 6.639 1.00 0.00 H new ATOM 0 HG SER B 89 -18.488 9.968 8.013 1.00 0.00 H new ATOM 1491 N GLY B 90 -18.762 6.681 6.813 1.00 0.00 N ATOM 1492 CA GLY B 90 -17.556 5.893 6.980 1.00 0.00 C ATOM 1493 C GLY B 90 -16.300 6.678 6.656 1.00 0.00 C ATOM 1494 O GLY B 90 -16.369 7.756 6.065 1.00 0.00 O ATOM 0 H GLY B 90 -19.425 6.310 6.133 1.00 0.00 H new ATOM 0 HA2 GLY B 90 -17.501 5.533 8.007 1.00 0.00 H new ATOM 0 HA3 GLY B 90 -17.608 5.015 6.337 1.00 0.00 H new ATOM 1498 N THR B 91 -15.150 6.138 7.045 1.00 0.00 N ATOM 1499 CA THR B 91 -13.873 6.796 6.793 1.00 0.00 C ATOM 1500 C THR B 91 -12.713 5.825 6.988 1.00 0.00 C ATOM 1501 O THR B 91 -12.751 4.964 7.866 1.00 0.00 O ATOM 1502 CB THR B 91 -13.704 8.001 7.719 1.00 0.00 C ATOM 1503 OG1 THR B 91 -14.368 7.783 8.952 1.00 0.00 O ATOM 1504 CG2 THR B 91 -14.240 9.288 7.130 1.00 0.00 C ATOM 0 H THR B 91 -15.076 5.247 7.536 1.00 0.00 H new ATOM 0 HA THR B 91 -13.868 7.138 5.758 1.00 0.00 H new ATOM 0 HB THR B 91 -12.629 8.106 7.863 1.00 0.00 H new ATOM 0 HG1 THR B 91 -14.247 8.564 9.531 1.00 0.00 H new ATOM 0 HG21 THR B 91 -14.089 10.103 7.838 1.00 0.00 H new ATOM 0 HG22 THR B 91 -13.713 9.511 6.202 1.00 0.00 H new ATOM 0 HG23 THR B 91 -15.305 9.179 6.925 1.00 0.00 H new ATOM 1512 N ASP B 92 -11.682 5.969 6.161 1.00 0.00 N ATOM 1513 CA ASP B 92 -10.510 5.105 6.243 1.00 0.00 C ATOM 1514 C ASP B 92 -9.225 5.926 6.208 1.00 0.00 C ATOM 1515 O ASP B 92 -8.790 6.372 5.146 1.00 0.00 O ATOM 1516 CB ASP B 92 -10.515 4.095 5.094 1.00 0.00 C ATOM 1517 CG ASP B 92 -11.354 2.870 5.403 1.00 0.00 C ATOM 1518 OD1 ASP B 92 -10.854 1.972 6.111 1.00 0.00 O ATOM 1519 OD2 ASP B 92 -12.512 2.811 4.938 1.00 0.00 O ATOM 0 H ASP B 92 -11.635 6.676 5.427 1.00 0.00 H new ATOM 0 HA ASP B 92 -10.551 4.568 7.191 1.00 0.00 H new ATOM 0 HB2 ASP B 92 -10.897 4.576 4.193 1.00 0.00 H new ATOM 0 HB3 ASP B 92 -9.492 3.786 4.881 1.00 0.00 H new ATOM 1524 N LYS B 93 -8.623 6.122 7.376 1.00 0.00 N ATOM 1525 CA LYS B 93 -7.387 6.889 7.479 1.00 0.00 C ATOM 1526 C LYS B 93 -6.189 5.967 7.681 1.00 0.00 C ATOM 1527 O LYS B 93 -5.081 6.266 7.237 1.00 0.00 O ATOM 1528 CB LYS B 93 -7.477 7.889 8.634 1.00 0.00 C ATOM 1529 CG LYS B 93 -7.611 7.231 9.998 1.00 0.00 C ATOM 1530 CD LYS B 93 -6.252 7.009 10.644 1.00 0.00 C ATOM 1531 CE LYS B 93 -6.347 7.028 12.161 1.00 0.00 C ATOM 1532 NZ LYS B 93 -5.361 6.108 12.791 1.00 0.00 N ATOM 0 H LYS B 93 -8.971 5.761 8.264 1.00 0.00 H new ATOM 0 HA LYS B 93 -7.249 7.434 6.545 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -6.587 8.518 8.629 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -8.332 8.545 8.470 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -8.226 7.856 10.646 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -8.126 6.276 9.894 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -5.844 6.053 10.316 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -5.559 7.782 10.312 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -6.179 8.043 12.522 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -7.354 6.744 12.465 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -5.458 6.150 13.826 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -5.537 5.136 12.466 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -4.398 6.394 12.522 1.00 0.00 H new ATOM 1546 N GLU B 94 -6.419 4.845 8.356 1.00 0.00 N ATOM 1547 CA GLU B 94 -5.359 3.880 8.617 1.00 0.00 C ATOM 1548 C GLU B 94 -4.767 3.352 7.313 1.00 0.00 C ATOM 1549 O GLU B 94 -3.594 2.982 7.258 1.00 0.00 O ATOM 1550 CB GLU B 94 -5.893 2.717 9.455 1.00 0.00 C ATOM 1551 CG GLU B 94 -4.815 1.745 9.905 1.00 0.00 C ATOM 1552 CD GLU B 94 -4.361 1.997 11.330 1.00 0.00 C ATOM 1553 OE1 GLU B 94 -5.202 1.896 12.248 1.00 0.00 O ATOM 1554 OE2 GLU B 94 -3.165 2.295 11.527 1.00 0.00 O ATOM 0 H GLU B 94 -7.330 4.583 8.732 1.00 0.00 H new ATOM 0 HA GLU B 94 -4.571 4.388 9.173 1.00 0.00 H new ATOM 0 HB2 GLU B 94 -6.400 3.116 10.333 1.00 0.00 H new ATOM 0 HB3 GLU B 94 -6.640 2.175 8.875 1.00 0.00 H new ATOM 0 HG2 GLU B 94 -5.193 0.726 9.823 1.00 0.00 H new ATOM 0 HG3 GLU B 94 -3.958 1.823 9.235 1.00 0.00 H new ATOM 1561 N LEU B 95 -5.584 3.322 6.264 1.00 0.00 N ATOM 1562 CA LEU B 95 -5.138 2.842 4.961 1.00 0.00 C ATOM 1563 C LEU B 95 -3.909 3.613 4.491 1.00 0.00 C ATOM 1564 O LEU B 95 -3.007 3.047 3.872 1.00 0.00 O ATOM 1565 CB LEU B 95 -6.263 2.975 3.933 1.00 0.00 C ATOM 1566 CG LEU B 95 -5.948 2.400 2.550 1.00 0.00 C ATOM 1567 CD1 LEU B 95 -6.321 0.928 2.488 1.00 0.00 C ATOM 1568 CD2 LEU B 95 -6.677 3.184 1.469 1.00 0.00 C ATOM 0 H LEU B 95 -6.558 3.624 6.291 1.00 0.00 H new ATOM 0 HA LEU B 95 -4.869 1.790 5.060 1.00 0.00 H new ATOM 0 HB2 LEU B 95 -7.151 2.478 4.323 1.00 0.00 H new ATOM 0 HB3 LEU B 95 -6.511 4.031 3.823 1.00 0.00 H new ATOM 0 HG LEU B 95 -4.876 2.489 2.375 1.00 0.00 H new ATOM 0 HD11 LEU B 95 -6.090 0.536 1.498 1.00 0.00 H new ATOM 0 HD12 LEU B 95 -5.753 0.377 3.238 1.00 0.00 H new ATOM 0 HD13 LEU B 95 -7.387 0.814 2.684 1.00 0.00 H new ATOM 0 HD21 LEU B 95 -6.442 2.762 0.492 1.00 0.00 H new ATOM 0 HD22 LEU B 95 -7.752 3.126 1.640 1.00 0.00 H new ATOM 0 HD23 LEU B 95 -6.360 4.227 1.499 1.00 0.00 H new ATOM 1580 N SER B 96 -3.878 4.907 4.795 1.00 0.00 N ATOM 1581 CA SER B 96 -2.759 5.757 4.408 1.00 0.00 C ATOM 1582 C SER B 96 -1.570 5.546 5.340 1.00 0.00 C ATOM 1583 O SER B 96 -0.417 5.678 4.930 1.00 0.00 O ATOM 1584 CB SER B 96 -3.179 7.228 4.423 1.00 0.00 C ATOM 1585 OG SER B 96 -4.010 7.532 3.317 1.00 0.00 O ATOM 0 H SER B 96 -4.616 5.389 5.308 1.00 0.00 H new ATOM 0 HA SER B 96 -2.459 5.483 3.397 1.00 0.00 H new ATOM 0 HB2 SER B 96 -3.707 7.449 5.350 1.00 0.00 H new ATOM 0 HB3 SER B 96 -2.293 7.863 4.402 1.00 0.00 H new ATOM 0 HG SER B 96 -4.266 8.477 3.350 1.00 0.00 H new ATOM 1591 N ASP B 97 -1.859 5.219 6.596 1.00 0.00 N ATOM 1592 CA ASP B 97 -0.814 4.990 7.586 1.00 0.00 C ATOM 1593 C ASP B 97 0.073 3.817 7.181 1.00 0.00 C ATOM 1594 O ASP B 97 1.288 3.847 7.378 1.00 0.00 O ATOM 1595 CB ASP B 97 -1.432 4.725 8.960 1.00 0.00 C ATOM 1596 CG ASP B 97 -0.610 5.317 10.088 1.00 0.00 C ATOM 1597 OD1 ASP B 97 -0.629 6.556 10.251 1.00 0.00 O ATOM 1598 OD2 ASP B 97 0.054 4.543 10.808 1.00 0.00 O ATOM 0 H ASP B 97 -2.808 5.107 6.951 1.00 0.00 H new ATOM 0 HA ASP B 97 -0.197 5.887 7.639 1.00 0.00 H new ATOM 0 HB2 ASP B 97 -2.438 5.143 8.989 1.00 0.00 H new ATOM 0 HB3 ASP B 97 -1.529 3.650 9.110 1.00 0.00 H new ATOM 1603 N LEU B 98 -0.542 2.786 6.613 1.00 0.00 N ATOM 1604 CA LEU B 98 0.192 1.602 6.180 1.00 0.00 C ATOM 1605 C LEU B 98 1.004 1.895 4.923 1.00 0.00 C ATOM 1606 O LEU B 98 2.068 1.313 4.710 1.00 0.00 O ATOM 1607 CB LEU B 98 -0.774 0.444 5.920 1.00 0.00 C ATOM 1608 CG LEU B 98 -1.759 0.154 7.053 1.00 0.00 C ATOM 1609 CD1 LEU B 98 -3.025 -0.488 6.508 1.00 0.00 C ATOM 1610 CD2 LEU B 98 -1.114 -0.737 8.103 1.00 0.00 C ATOM 0 H LEU B 98 -1.547 2.746 6.441 1.00 0.00 H new ATOM 0 HA LEU B 98 0.880 1.320 6.977 1.00 0.00 H new ATOM 0 HB2 LEU B 98 -1.340 0.660 5.014 1.00 0.00 H new ATOM 0 HB3 LEU B 98 -0.192 -0.457 5.725 1.00 0.00 H new ATOM 0 HG LEU B 98 -2.031 1.098 7.525 1.00 0.00 H new ATOM 0 HD11 LEU B 98 -3.714 -0.687 7.329 1.00 0.00 H new ATOM 0 HD12 LEU B 98 -3.497 0.187 5.794 1.00 0.00 H new ATOM 0 HD13 LEU B 98 -2.773 -1.425 6.010 1.00 0.00 H new ATOM 0 HD21 LEU B 98 -1.829 -0.934 8.902 1.00 0.00 H new ATOM 0 HD22 LEU B 98 -0.813 -1.679 7.645 1.00 0.00 H new ATOM 0 HD23 LEU B 98 -0.237 -0.238 8.515 1.00 0.00 H new ATOM 1622 N LEU B 99 0.496 2.801 4.093 1.00 0.00 N ATOM 1623 CA LEU B 99 1.176 3.170 2.857 1.00 0.00 C ATOM 1624 C LEU B 99 2.357 4.092 3.140 1.00 0.00 C ATOM 1625 O LEU B 99 3.403 3.993 2.498 1.00 0.00 O ATOM 1626 CB LEU B 99 0.198 3.855 1.898 1.00 0.00 C ATOM 1627 CG LEU B 99 0.412 3.536 0.418 1.00 0.00 C ATOM 1628 CD1 LEU B 99 0.018 2.097 0.120 1.00 0.00 C ATOM 1629 CD2 LEU B 99 -0.377 4.499 -0.454 1.00 0.00 C ATOM 0 H LEU B 99 -0.383 3.292 4.254 1.00 0.00 H new ATOM 0 HA LEU B 99 1.553 2.259 2.393 1.00 0.00 H new ATOM 0 HB2 LEU B 99 -0.817 3.568 2.173 1.00 0.00 H new ATOM 0 HB3 LEU B 99 0.273 4.934 2.036 1.00 0.00 H new ATOM 0 HG LEU B 99 1.471 3.656 0.189 1.00 0.00 H new ATOM 0 HD11 LEU B 99 0.177 1.888 -0.938 1.00 0.00 H new ATOM 0 HD12 LEU B 99 0.628 1.421 0.719 1.00 0.00 H new ATOM 0 HD13 LEU B 99 -1.034 1.950 0.365 1.00 0.00 H new ATOM 0 HD21 LEU B 99 -0.213 4.257 -1.504 1.00 0.00 H new ATOM 0 HD22 LEU B 99 -1.439 4.412 -0.223 1.00 0.00 H new ATOM 0 HD23 LEU B 99 -0.046 5.519 -0.261 1.00 0.00 H new ATOM 1641 N ASP B 100 2.184 4.988 4.107 1.00 0.00 N ATOM 1642 CA ASP B 100 3.236 5.927 4.476 1.00 0.00 C ATOM 1643 C ASP B 100 4.424 5.199 5.097 1.00 0.00 C ATOM 1644 O ASP B 100 5.567 5.640 4.977 1.00 0.00 O ATOM 1645 CB ASP B 100 2.697 6.972 5.455 1.00 0.00 C ATOM 1646 CG ASP B 100 3.549 8.226 5.491 1.00 0.00 C ATOM 1647 OD1 ASP B 100 3.608 8.933 4.464 1.00 0.00 O ATOM 1648 OD2 ASP B 100 4.158 8.498 6.547 1.00 0.00 O ATOM 0 H ASP B 100 1.325 5.083 4.649 1.00 0.00 H new ATOM 0 HA ASP B 100 3.573 6.428 3.569 1.00 0.00 H new ATOM 0 HB2 ASP B 100 1.678 7.237 5.174 1.00 0.00 H new ATOM 0 HB3 ASP B 100 2.650 6.539 6.454 1.00 0.00 H new ATOM 1653 N PHE B 101 4.146 4.082 5.761 1.00 0.00 N ATOM 1654 CA PHE B 101 5.191 3.291 6.402 1.00 0.00 C ATOM 1655 C PHE B 101 6.235 2.840 5.384 1.00 0.00 C ATOM 1656 O PHE B 101 7.429 3.091 5.552 1.00 0.00 O ATOM 1657 CB PHE B 101 4.583 2.073 7.098 1.00 0.00 C ATOM 1658 CG PHE B 101 5.515 1.404 8.067 1.00 0.00 C ATOM 1659 CD1 PHE B 101 6.654 0.754 7.618 1.00 0.00 C ATOM 1660 CD2 PHE B 101 5.253 1.425 9.428 1.00 0.00 C ATOM 1661 CE1 PHE B 101 7.513 0.138 8.507 1.00 0.00 C ATOM 1662 CE2 PHE B 101 6.108 0.810 10.322 1.00 0.00 C ATOM 1663 CZ PHE B 101 7.239 0.166 9.861 1.00 0.00 C ATOM 0 H PHE B 101 3.205 3.704 5.870 1.00 0.00 H new ATOM 0 HA PHE B 101 5.682 3.919 7.145 1.00 0.00 H new ATOM 0 HB2 PHE B 101 3.682 2.381 7.628 1.00 0.00 H new ATOM 0 HB3 PHE B 101 4.277 1.349 6.343 1.00 0.00 H new ATOM 0 HD1 PHE B 101 6.872 0.729 6.561 1.00 0.00 H new ATOM 0 HD2 PHE B 101 4.370 1.928 9.794 1.00 0.00 H new ATOM 0 HE1 PHE B 101 8.397 -0.365 8.144 1.00 0.00 H new ATOM 0 HE2 PHE B 101 5.892 0.833 11.380 1.00 0.00 H new ATOM 0 HZ PHE B 101 7.909 -0.315 10.558 1.00 0.00 H new ATOM 1673 N SER B 102 5.777 2.174 4.329 1.00 0.00 N ATOM 1674 CA SER B 102 6.671 1.689 3.285 1.00 0.00 C ATOM 1675 C SER B 102 7.096 2.825 2.361 1.00 0.00 C ATOM 1676 O SER B 102 8.244 2.883 1.918 1.00 0.00 O ATOM 1677 CB SER B 102 5.991 0.584 2.475 1.00 0.00 C ATOM 1678 OG SER B 102 4.848 1.077 1.798 1.00 0.00 O ATOM 0 H SER B 102 4.792 1.958 4.175 1.00 0.00 H new ATOM 0 HA SER B 102 7.562 1.283 3.764 1.00 0.00 H new ATOM 0 HB2 SER B 102 6.696 0.172 1.753 1.00 0.00 H new ATOM 0 HB3 SER B 102 5.701 -0.231 3.138 1.00 0.00 H new ATOM 0 HG SER B 102 4.125 0.418 1.853 1.00 0.00 H new ATOM 1684 N ALA B 103 6.163 3.728 2.073 1.00 0.00 N ATOM 1685 CA ALA B 103 6.441 4.862 1.201 1.00 0.00 C ATOM 1686 C ALA B 103 7.553 5.734 1.773 1.00 0.00 C ATOM 1687 O ALA B 103 8.334 6.328 1.029 1.00 0.00 O ATOM 1688 CB ALA B 103 5.179 5.685 0.991 1.00 0.00 C ATOM 0 H ALA B 103 5.209 3.695 2.431 1.00 0.00 H new ATOM 0 HA ALA B 103 6.776 4.476 0.238 1.00 0.00 H new ATOM 0 HB1 ALA B 103 5.400 6.529 0.338 1.00 0.00 H new ATOM 0 HB2 ALA B 103 4.411 5.062 0.532 1.00 0.00 H new ATOM 0 HB3 ALA B 103 4.821 6.054 1.952 1.00 0.00 H new ATOM 1694 N MET B 104 7.620 5.807 3.099 1.00 0.00 N ATOM 1695 CA MET B 104 8.638 6.606 3.770 1.00 0.00 C ATOM 1696 C MET B 104 9.958 5.846 3.855 1.00 0.00 C ATOM 1697 O MET B 104 11.031 6.427 3.692 1.00 0.00 O ATOM 1698 CB MET B 104 8.168 6.996 5.173 1.00 0.00 C ATOM 1699 CG MET B 104 8.932 8.167 5.767 1.00 0.00 C ATOM 1700 SD MET B 104 8.711 9.690 4.828 1.00 0.00 S ATOM 1701 CE MET B 104 6.929 9.723 4.652 1.00 0.00 C ATOM 0 H MET B 104 6.981 5.322 3.729 1.00 0.00 H new ATOM 0 HA MET B 104 8.798 7.511 3.184 1.00 0.00 H new ATOM 0 HB2 MET B 104 7.108 7.246 5.135 1.00 0.00 H new ATOM 0 HB3 MET B 104 8.269 6.135 5.833 1.00 0.00 H new ATOM 0 HG2 MET B 104 8.603 8.327 6.794 1.00 0.00 H new ATOM 0 HG3 MET B 104 9.993 7.920 5.807 1.00 0.00 H new ATOM 0 HE1 MET B 104 6.603 10.741 4.440 1.00 0.00 H new ATOM 0 HE2 MET B 104 6.632 9.069 3.832 1.00 0.00 H new ATOM 0 HE3 MET B 104 6.466 9.379 5.577 1.00 0.00 H new ATOM 1711 N PHE B 105 9.870 4.546 4.114 1.00 0.00 N ATOM 1712 CA PHE B 105 11.057 3.706 4.220 1.00 0.00 C ATOM 1713 C PHE B 105 11.697 3.489 2.853 1.00 0.00 C ATOM 1714 O PHE B 105 12.916 3.365 2.740 1.00 0.00 O ATOM 1715 CB PHE B 105 10.699 2.358 4.848 1.00 0.00 C ATOM 1716 CG PHE B 105 10.815 2.344 6.347 1.00 0.00 C ATOM 1717 CD1 PHE B 105 10.012 3.163 7.124 1.00 0.00 C ATOM 1718 CD2 PHE B 105 11.726 1.511 6.975 1.00 0.00 C ATOM 1719 CE1 PHE B 105 10.116 3.151 8.503 1.00 0.00 C ATOM 1720 CE2 PHE B 105 11.835 1.495 8.353 1.00 0.00 C ATOM 1721 CZ PHE B 105 11.028 2.316 9.117 1.00 0.00 C ATOM 0 H PHE B 105 8.989 4.051 4.254 1.00 0.00 H new ATOM 0 HA PHE B 105 11.776 4.218 4.859 1.00 0.00 H new ATOM 0 HB2 PHE B 105 9.679 2.095 4.568 1.00 0.00 H new ATOM 0 HB3 PHE B 105 11.351 1.589 4.434 1.00 0.00 H new ATOM 0 HD1 PHE B 105 9.297 3.818 6.648 1.00 0.00 H new ATOM 0 HD2 PHE B 105 12.358 0.867 6.382 1.00 0.00 H new ATOM 0 HE1 PHE B 105 9.485 3.794 9.099 1.00 0.00 H new ATOM 0 HE2 PHE B 105 12.550 0.842 8.832 1.00 0.00 H new ATOM 0 HZ PHE B 105 11.111 2.305 10.194 1.00 0.00 H new ATOM 1731 N SER B 106 10.865 3.445 1.817 1.00 0.00 N ATOM 1732 CA SER B 106 11.349 3.242 0.457 1.00 0.00 C ATOM 1733 C SER B 106 12.081 1.910 0.332 1.00 0.00 C ATOM 1734 O SER B 106 12.874 1.758 -0.620 1.00 0.00 O ATOM 1735 CB SER B 106 12.278 4.387 0.048 1.00 0.00 C ATOM 1736 OG SER B 106 12.157 4.674 -1.334 1.00 0.00 O ATOM 1737 OXT SER B 106 11.855 1.029 1.188 1.00 0.00 O ATOM 0 H SER B 106 9.853 3.547 1.894 1.00 0.00 H new ATOM 0 HA SER B 106 10.487 3.226 -0.210 1.00 0.00 H new ATOM 0 HB2 SER B 106 12.040 5.278 0.630 1.00 0.00 H new ATOM 0 HB3 SER B 106 13.310 4.122 0.278 1.00 0.00 H new ATOM 0 HG SER B 106 12.760 5.410 -1.569 1.00 0.00 H new TER 1743 SER B 106