USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 613 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 SER N :NH3+ -115:sc= 0.126 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -1.24 K(o=-1.2,f=-8!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN :FLIP amide:sc= 1.13 F(o=-0.0078,f=1.1) USER MOD Single : A 31 THR OG1 : rot -67:sc= 0.504 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0.115 USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 168:sc= -1.33 (180deg=-1.59) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot -79:sc= 0.767 USER MOD Single : A 60 GLN :FLIP amide:sc= -0.718 F(o=-2.5,f=-0.72) USER MOD Single : A 62 HIS : no HE2:sc= -7.17! C(o=-7.2!,f=-13!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 HIS : no HD1:sc= -0.122 X(o=-0.12,f=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -21.955 -17.181 -15.761 1.00 0.00 N ATOM 2 CA SER A 1 -22.257 -16.599 -17.099 1.00 0.00 C ATOM 3 C SER A 1 -20.995 -16.613 -17.955 1.00 0.00 C ATOM 4 O SER A 1 -19.918 -16.985 -17.493 1.00 0.00 O ATOM 5 CB SER A 1 -22.745 -15.159 -16.931 1.00 0.00 C ATOM 6 OG SER A 1 -24.088 -15.170 -16.468 1.00 0.00 O ATOM 0 H1 SER A 1 -22.492 -18.063 -15.637 1.00 0.00 H new ATOM 0 H2 SER A 1 -20.937 -17.383 -15.692 1.00 0.00 H new ATOM 0 H3 SER A 1 -22.225 -16.504 -15.019 1.00 0.00 H new ATOM 0 HA SER A 1 -23.033 -17.190 -17.586 1.00 0.00 H new ATOM 0 HB2 SER A 1 -22.109 -14.627 -16.224 1.00 0.00 H new ATOM 0 HB3 SER A 1 -22.680 -14.628 -17.880 1.00 0.00 H new ATOM 0 HG SER A 1 -24.403 -14.249 -16.358 1.00 0.00 H new ATOM 14 N LYS A 2 -21.143 -16.202 -19.212 1.00 0.00 N ATOM 15 CA LYS A 2 -20.009 -16.169 -20.131 1.00 0.00 C ATOM 16 C LYS A 2 -19.607 -14.728 -20.430 1.00 0.00 C ATOM 17 O LYS A 2 -20.030 -14.147 -21.429 1.00 0.00 O ATOM 18 CB LYS A 2 -20.363 -16.871 -21.445 1.00 0.00 C ATOM 19 CG LYS A 2 -19.108 -17.002 -22.314 1.00 0.00 C ATOM 20 CD LYS A 2 -18.484 -18.384 -22.108 1.00 0.00 C ATOM 21 CE LYS A 2 -17.509 -18.680 -23.250 1.00 0.00 C ATOM 22 NZ LYS A 2 -17.562 -20.131 -23.586 1.00 0.00 N ATOM 0 H LYS A 2 -22.027 -15.890 -19.614 1.00 0.00 H new ATOM 0 HA LYS A 2 -19.176 -16.688 -19.656 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -20.780 -17.857 -21.241 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -21.128 -16.305 -21.977 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -19.364 -16.860 -23.364 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -18.390 -16.225 -22.053 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -17.962 -18.420 -21.152 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -19.263 -19.145 -22.075 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -17.766 -18.084 -24.125 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -16.496 -18.400 -22.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -16.899 -20.332 -24.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -17.297 -20.691 -22.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -18.527 -20.384 -23.880 1.00 0.00 H new ATOM 36 N SER A 3 -18.782 -14.161 -19.554 1.00 0.00 N ATOM 37 CA SER A 3 -18.325 -12.785 -19.737 1.00 0.00 C ATOM 38 C SER A 3 -16.804 -12.689 -19.606 1.00 0.00 C ATOM 39 O SER A 3 -16.263 -11.618 -19.332 1.00 0.00 O ATOM 40 CB SER A 3 -18.971 -11.868 -18.699 1.00 0.00 C ATOM 41 OG SER A 3 -19.087 -12.563 -17.465 1.00 0.00 O ATOM 0 H SER A 3 -18.420 -14.625 -18.721 1.00 0.00 H new ATOM 0 HA SER A 3 -18.617 -12.471 -20.739 1.00 0.00 H new ATOM 0 HB2 SER A 3 -18.370 -10.968 -18.568 1.00 0.00 H new ATOM 0 HB3 SER A 3 -19.954 -11.547 -19.042 1.00 0.00 H new ATOM 0 HG SER A 3 -19.499 -11.977 -16.797 1.00 0.00 H new ATOM 47 N MET A 4 -16.116 -13.816 -19.809 1.00 0.00 N ATOM 48 CA MET A 4 -14.654 -13.837 -19.715 1.00 0.00 C ATOM 49 C MET A 4 -14.183 -13.311 -18.359 1.00 0.00 C ATOM 50 O MET A 4 -14.989 -13.040 -17.468 1.00 0.00 O ATOM 51 CB MET A 4 -14.035 -12.979 -20.821 1.00 0.00 C ATOM 52 CG MET A 4 -14.592 -13.414 -22.179 1.00 0.00 C ATOM 53 SD MET A 4 -13.517 -12.795 -23.498 1.00 0.00 S ATOM 54 CE MET A 4 -14.461 -13.459 -24.892 1.00 0.00 C ATOM 0 H MET A 4 -16.541 -14.715 -20.037 1.00 0.00 H new ATOM 0 HA MET A 4 -14.333 -14.872 -19.828 1.00 0.00 H new ATOM 0 HB2 MET A 4 -14.257 -11.926 -20.646 1.00 0.00 H new ATOM 0 HB3 MET A 4 -12.950 -13.082 -20.811 1.00 0.00 H new ATOM 0 HG2 MET A 4 -14.655 -14.501 -22.227 1.00 0.00 H new ATOM 0 HG3 MET A 4 -15.604 -13.030 -22.309 1.00 0.00 H new ATOM 0 HE1 MET A 4 -13.968 -13.191 -25.826 1.00 0.00 H new ATOM 0 HE2 MET A 4 -14.516 -14.544 -24.810 1.00 0.00 H new ATOM 0 HE3 MET A 4 -15.468 -13.042 -24.881 1.00 0.00 H new ATOM 64 N GLN A 5 -12.868 -13.167 -18.219 1.00 0.00 N ATOM 65 CA GLN A 5 -12.292 -12.669 -16.971 1.00 0.00 C ATOM 66 C GLN A 5 -11.268 -11.578 -17.265 1.00 0.00 C ATOM 67 O GLN A 5 -10.720 -11.502 -18.365 1.00 0.00 O ATOM 68 CB GLN A 5 -11.610 -13.802 -16.204 1.00 0.00 C ATOM 69 CG GLN A 5 -10.597 -14.498 -17.115 1.00 0.00 C ATOM 70 CD GLN A 5 -9.901 -15.615 -16.344 1.00 0.00 C ATOM 71 OE1 GLN A 5 -8.926 -15.373 -15.633 1.00 0.00 O ATOM 72 NE2 GLN A 5 -10.350 -16.837 -16.443 1.00 0.00 N ATOM 0 H GLN A 5 -12.186 -13.385 -18.946 1.00 0.00 H new ATOM 0 HA GLN A 5 -13.099 -12.260 -16.363 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -11.109 -13.407 -15.320 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -12.354 -14.518 -15.855 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -11.101 -14.906 -17.991 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -9.862 -13.778 -17.476 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -11.158 -17.037 -17.032 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -9.893 -17.591 -15.931 1.00 0.00 H new ATOM 81 N VAL A 6 -11.014 -10.731 -16.270 1.00 0.00 N ATOM 82 CA VAL A 6 -10.053 -9.645 -16.439 1.00 0.00 C ATOM 83 C VAL A 6 -9.087 -9.584 -15.249 1.00 0.00 C ATOM 84 O VAL A 6 -9.375 -10.130 -14.184 1.00 0.00 O ATOM 85 CB VAL A 6 -10.778 -8.303 -16.561 1.00 0.00 C ATOM 86 CG1 VAL A 6 -11.611 -8.290 -17.843 1.00 0.00 C ATOM 87 CG2 VAL A 6 -11.695 -8.110 -15.353 1.00 0.00 C ATOM 0 H VAL A 6 -11.454 -10.774 -15.351 1.00 0.00 H new ATOM 0 HA VAL A 6 -9.489 -9.839 -17.351 1.00 0.00 H new ATOM 0 HB VAL A 6 -10.048 -7.495 -16.595 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -12.128 -7.335 -17.931 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -10.957 -8.429 -18.704 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -12.343 -9.097 -17.809 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -12.212 -7.154 -15.438 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -12.427 -8.917 -15.319 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -11.100 -8.121 -14.439 1.00 0.00 H new ATOM 97 N PRO A 7 -7.930 -8.919 -15.414 1.00 0.00 N ATOM 98 CA PRO A 7 -6.934 -8.800 -14.334 1.00 0.00 C ATOM 99 C PRO A 7 -7.238 -7.640 -13.386 1.00 0.00 C ATOM 100 O PRO A 7 -8.349 -7.110 -13.372 1.00 0.00 O ATOM 101 CB PRO A 7 -5.648 -8.547 -15.116 1.00 0.00 C ATOM 102 CG PRO A 7 -6.047 -7.954 -16.463 1.00 0.00 C ATOM 103 CD PRO A 7 -7.536 -8.246 -16.674 1.00 0.00 C ATOM 0 HA PRO A 7 -6.901 -9.676 -13.686 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -4.996 -7.863 -14.573 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -5.093 -9.475 -15.254 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -5.861 -6.880 -16.479 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -5.453 -8.392 -17.265 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -8.107 -7.332 -16.838 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -7.702 -8.885 -17.541 1.00 0.00 H new ATOM 111 N PHE A 8 -6.237 -7.255 -12.594 1.00 0.00 N ATOM 112 CA PHE A 8 -6.405 -6.157 -11.643 1.00 0.00 C ATOM 113 C PHE A 8 -7.493 -6.492 -10.627 1.00 0.00 C ATOM 114 O PHE A 8 -8.055 -7.586 -10.636 1.00 0.00 O ATOM 115 CB PHE A 8 -6.777 -4.862 -12.372 1.00 0.00 C ATOM 116 CG PHE A 8 -5.616 -4.413 -13.226 1.00 0.00 C ATOM 117 CD1 PHE A 8 -5.276 -5.129 -14.378 1.00 0.00 C ATOM 118 CD2 PHE A 8 -4.880 -3.278 -12.862 1.00 0.00 C ATOM 119 CE1 PHE A 8 -4.198 -4.711 -15.169 1.00 0.00 C ATOM 120 CE2 PHE A 8 -3.803 -2.860 -13.653 1.00 0.00 C ATOM 121 CZ PHE A 8 -3.462 -3.577 -14.806 1.00 0.00 C ATOM 0 H PHE A 8 -5.311 -7.682 -12.592 1.00 0.00 H new ATOM 0 HA PHE A 8 -5.457 -6.016 -11.124 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -7.658 -5.022 -12.993 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -7.032 -4.086 -11.650 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -5.844 -6.004 -14.658 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -5.143 -2.726 -11.972 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -3.935 -5.264 -16.059 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -3.235 -1.985 -13.374 1.00 0.00 H new ATOM 0 HZ PHE A 8 -2.631 -3.255 -15.416 1.00 0.00 H new ATOM 131 N SER A 9 -7.780 -5.534 -9.745 1.00 0.00 N ATOM 132 CA SER A 9 -8.800 -5.732 -8.718 1.00 0.00 C ATOM 133 C SER A 9 -8.404 -6.879 -7.793 1.00 0.00 C ATOM 134 O SER A 9 -9.248 -7.653 -7.338 1.00 0.00 O ATOM 135 CB SER A 9 -10.158 -6.040 -9.355 1.00 0.00 C ATOM 136 OG SER A 9 -10.847 -4.822 -9.603 1.00 0.00 O ATOM 0 H SER A 9 -7.325 -4.622 -9.721 1.00 0.00 H new ATOM 0 HA SER A 9 -8.880 -4.811 -8.140 1.00 0.00 H new ATOM 0 HB2 SER A 9 -10.020 -6.589 -10.286 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.747 -6.676 -8.694 1.00 0.00 H new ATOM 0 HG SER A 9 -11.716 -5.015 -10.012 1.00 0.00 H new ATOM 142 N ARG A 10 -7.105 -6.979 -7.521 1.00 0.00 N ATOM 143 CA ARG A 10 -6.596 -8.033 -6.648 1.00 0.00 C ATOM 144 C ARG A 10 -5.090 -7.871 -6.449 1.00 0.00 C ATOM 145 O ARG A 10 -4.453 -7.024 -7.074 1.00 0.00 O ATOM 146 CB ARG A 10 -6.885 -9.417 -7.252 1.00 0.00 C ATOM 147 CG ARG A 10 -8.033 -10.089 -6.489 1.00 0.00 C ATOM 148 CD ARG A 10 -7.462 -11.052 -5.447 1.00 0.00 C ATOM 149 NE ARG A 10 -6.604 -12.053 -6.085 1.00 0.00 N ATOM 150 CZ ARG A 10 -5.995 -13.021 -5.383 1.00 0.00 C ATOM 151 NH1 ARG A 10 -6.146 -13.115 -4.083 1.00 0.00 N ATOM 152 NH2 ARG A 10 -5.241 -13.886 -6.004 1.00 0.00 N ATOM 0 H ARG A 10 -6.392 -6.349 -7.889 1.00 0.00 H new ATOM 0 HA ARG A 10 -7.099 -7.952 -5.684 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -7.146 -9.316 -8.305 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -5.991 -10.039 -7.203 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -8.650 -9.334 -6.002 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -8.678 -10.628 -7.183 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -6.890 -10.495 -4.704 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -8.276 -11.547 -4.917 1.00 0.00 H new ATOM 0 HE ARG A 10 -6.465 -12.013 -7.095 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -6.735 -12.445 -3.588 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -5.675 -13.858 -3.567 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -5.118 -13.823 -7.015 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -4.774 -14.625 -5.479 1.00 0.00 H new ATOM 166 N CYS A 11 -4.530 -8.698 -5.570 1.00 0.00 N ATOM 167 CA CYS A 11 -3.096 -8.645 -5.291 1.00 0.00 C ATOM 168 C CYS A 11 -2.307 -8.983 -6.551 1.00 0.00 C ATOM 169 O CYS A 11 -2.878 -9.200 -7.620 1.00 0.00 O ATOM 170 CB CYS A 11 -2.710 -9.641 -4.187 1.00 0.00 C ATOM 171 SG CYS A 11 -3.820 -9.468 -2.762 1.00 0.00 S ATOM 0 H CYS A 11 -5.040 -9.406 -5.043 1.00 0.00 H new ATOM 0 HA CYS A 11 -2.859 -7.634 -4.958 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -2.760 -10.659 -4.573 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -1.680 -9.468 -3.876 1.00 0.00 H new ATOM 176 N CYS A 12 -0.987 -9.027 -6.411 1.00 0.00 N ATOM 177 CA CYS A 12 -0.120 -9.343 -7.545 1.00 0.00 C ATOM 178 C CYS A 12 0.894 -10.416 -7.160 1.00 0.00 C ATOM 179 O CYS A 12 0.911 -10.901 -6.029 1.00 0.00 O ATOM 180 CB CYS A 12 0.646 -8.101 -7.999 1.00 0.00 C ATOM 181 SG CYS A 12 -0.517 -6.770 -8.394 1.00 0.00 S ATOM 0 H CYS A 12 -0.496 -8.850 -5.535 1.00 0.00 H new ATOM 0 HA CYS A 12 -0.755 -9.704 -8.355 1.00 0.00 H new ATOM 0 HB2 CYS A 12 1.330 -7.777 -7.214 1.00 0.00 H new ATOM 0 HB3 CYS A 12 1.253 -8.337 -8.873 1.00 0.00 H new ATOM 186 N PHE A 13 1.750 -10.765 -8.116 1.00 0.00 N ATOM 187 CA PHE A 13 2.782 -11.767 -7.877 1.00 0.00 C ATOM 188 C PHE A 13 4.116 -11.075 -7.624 1.00 0.00 C ATOM 189 O PHE A 13 4.874 -11.454 -6.731 1.00 0.00 O ATOM 190 CB PHE A 13 2.923 -12.694 -9.087 1.00 0.00 C ATOM 191 CG PHE A 13 2.028 -13.897 -8.909 1.00 0.00 C ATOM 192 CD1 PHE A 13 0.695 -13.847 -9.336 1.00 0.00 C ATOM 193 CD2 PHE A 13 2.529 -15.061 -8.317 1.00 0.00 C ATOM 194 CE1 PHE A 13 -0.135 -14.962 -9.172 1.00 0.00 C ATOM 195 CE2 PHE A 13 1.699 -16.177 -8.152 1.00 0.00 C ATOM 196 CZ PHE A 13 0.366 -16.126 -8.580 1.00 0.00 C ATOM 0 H PHE A 13 1.750 -10.372 -9.057 1.00 0.00 H new ATOM 0 HA PHE A 13 2.495 -12.358 -7.007 1.00 0.00 H new ATOM 0 HB2 PHE A 13 2.656 -12.161 -10.000 1.00 0.00 H new ATOM 0 HB3 PHE A 13 3.960 -13.012 -9.196 1.00 0.00 H new ATOM 0 HD1 PHE A 13 0.307 -12.948 -9.792 1.00 0.00 H new ATOM 0 HD2 PHE A 13 3.557 -15.099 -7.987 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.162 -14.924 -9.503 1.00 0.00 H new ATOM 0 HE2 PHE A 13 2.086 -17.076 -7.695 1.00 0.00 H new ATOM 0 HZ PHE A 13 -0.275 -16.986 -8.453 1.00 0.00 H new ATOM 206 N SER A 14 4.383 -10.047 -8.424 1.00 0.00 N ATOM 207 CA SER A 14 5.619 -9.284 -8.290 1.00 0.00 C ATOM 208 C SER A 14 5.314 -7.899 -7.732 1.00 0.00 C ATOM 209 O SER A 14 4.637 -7.093 -8.370 1.00 0.00 O ATOM 210 CB SER A 14 6.304 -9.133 -9.647 1.00 0.00 C ATOM 211 OG SER A 14 7.178 -10.235 -9.857 1.00 0.00 O ATOM 0 H SER A 14 3.764 -9.725 -9.168 1.00 0.00 H new ATOM 0 HA SER A 14 6.282 -9.820 -7.611 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.558 -9.089 -10.441 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.863 -8.198 -9.683 1.00 0.00 H new ATOM 0 HG SER A 14 7.618 -10.142 -10.728 1.00 0.00 H new ATOM 217 N PHE A 15 5.809 -7.634 -6.528 1.00 0.00 N ATOM 218 CA PHE A 15 5.568 -6.343 -5.888 1.00 0.00 C ATOM 219 C PHE A 15 6.706 -5.375 -6.193 1.00 0.00 C ATOM 220 O PHE A 15 7.649 -5.709 -6.910 1.00 0.00 O ATOM 221 CB PHE A 15 5.439 -6.517 -4.366 1.00 0.00 C ATOM 222 CG PHE A 15 4.074 -7.085 -3.975 1.00 0.00 C ATOM 223 CD1 PHE A 15 3.274 -7.789 -4.898 1.00 0.00 C ATOM 224 CD2 PHE A 15 3.616 -6.909 -2.663 1.00 0.00 C ATOM 225 CE1 PHE A 15 2.034 -8.304 -4.506 1.00 0.00 C ATOM 226 CE2 PHE A 15 2.374 -7.426 -2.274 1.00 0.00 C ATOM 227 CZ PHE A 15 1.583 -8.121 -3.194 1.00 0.00 C ATOM 0 H PHE A 15 6.372 -8.285 -5.981 1.00 0.00 H new ATOM 0 HA PHE A 15 4.638 -5.936 -6.284 1.00 0.00 H new ATOM 0 HB2 PHE A 15 6.226 -7.181 -4.008 1.00 0.00 H new ATOM 0 HB3 PHE A 15 5.587 -5.555 -3.876 1.00 0.00 H new ATOM 0 HD1 PHE A 15 3.620 -7.931 -5.911 1.00 0.00 H new ATOM 0 HD2 PHE A 15 4.223 -6.373 -1.949 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.424 -8.843 -5.216 1.00 0.00 H new ATOM 0 HE2 PHE A 15 2.026 -7.288 -1.261 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.624 -8.516 -2.892 1.00 0.00 H new ATOM 237 N ALA A 16 6.605 -4.169 -5.643 1.00 0.00 N ATOM 238 CA ALA A 16 7.630 -3.150 -5.864 1.00 0.00 C ATOM 239 C ALA A 16 8.664 -3.181 -4.738 1.00 0.00 C ATOM 240 O ALA A 16 9.006 -2.154 -4.155 1.00 0.00 O ATOM 241 CB ALA A 16 6.989 -1.759 -5.926 1.00 0.00 C ATOM 0 H ALA A 16 5.832 -3.873 -5.046 1.00 0.00 H new ATOM 0 HA ALA A 16 8.125 -3.363 -6.811 1.00 0.00 H new ATOM 0 HB1 ALA A 16 7.763 -1.009 -6.091 1.00 0.00 H new ATOM 0 HB2 ALA A 16 6.271 -1.726 -6.745 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.477 -1.552 -4.986 1.00 0.00 H new ATOM 247 N GLU A 17 9.161 -4.379 -4.438 1.00 0.00 N ATOM 248 CA GLU A 17 10.153 -4.553 -3.370 1.00 0.00 C ATOM 249 C GLU A 17 11.279 -3.518 -3.451 1.00 0.00 C ATOM 250 O GLU A 17 11.884 -3.167 -2.438 1.00 0.00 O ATOM 251 CB GLU A 17 10.766 -5.953 -3.440 1.00 0.00 C ATOM 252 CG GLU A 17 9.687 -6.998 -3.148 1.00 0.00 C ATOM 253 CD GLU A 17 10.221 -8.387 -3.481 1.00 0.00 C ATOM 254 OE1 GLU A 17 11.150 -8.819 -2.819 1.00 0.00 O ATOM 255 OE2 GLU A 17 9.692 -9.000 -4.395 1.00 0.00 O ATOM 0 H GLU A 17 8.897 -5.242 -4.914 1.00 0.00 H new ATOM 0 HA GLU A 17 9.627 -4.415 -2.425 1.00 0.00 H new ATOM 0 HB2 GLU A 17 11.196 -6.124 -4.427 1.00 0.00 H new ATOM 0 HB3 GLU A 17 11.578 -6.042 -2.719 1.00 0.00 H new ATOM 0 HG2 GLU A 17 9.395 -6.951 -2.099 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.794 -6.789 -3.737 1.00 0.00 H new ATOM 262 N GLN A 18 11.560 -3.032 -4.660 1.00 0.00 N ATOM 263 CA GLN A 18 12.621 -2.039 -4.836 1.00 0.00 C ATOM 264 C GLN A 18 12.733 -1.610 -6.300 1.00 0.00 C ATOM 265 O GLN A 18 11.931 -2.015 -7.141 1.00 0.00 O ATOM 266 CB GLN A 18 13.967 -2.613 -4.373 1.00 0.00 C ATOM 267 CG GLN A 18 14.262 -3.908 -5.134 1.00 0.00 C ATOM 268 CD GLN A 18 15.763 -4.027 -5.372 1.00 0.00 C ATOM 269 OE1 GLN A 18 16.246 -3.767 -6.475 1.00 0.00 O ATOM 270 NE2 GLN A 18 16.539 -4.408 -4.395 1.00 0.00 N ATOM 0 H GLN A 18 11.079 -3.303 -5.517 1.00 0.00 H new ATOM 0 HA GLN A 18 12.367 -1.168 -4.232 1.00 0.00 H new ATOM 0 HB2 GLN A 18 14.762 -1.888 -4.547 1.00 0.00 H new ATOM 0 HB3 GLN A 18 13.942 -2.807 -3.301 1.00 0.00 H new ATOM 0 HG2 GLN A 18 13.904 -4.766 -4.565 1.00 0.00 H new ATOM 0 HG3 GLN A 18 13.731 -3.912 -6.086 1.00 0.00 H new ATOM 0 HE21 GLN A 18 16.140 -4.624 -3.481 1.00 0.00 H new ATOM 0 HE22 GLN A 18 17.545 -4.490 -4.545 1.00 0.00 H new ATOM 279 N GLU A 19 13.745 -0.781 -6.585 1.00 0.00 N ATOM 280 CA GLU A 19 13.998 -0.271 -7.942 1.00 0.00 C ATOM 281 C GLU A 19 13.053 0.879 -8.285 1.00 0.00 C ATOM 282 O GLU A 19 13.476 2.029 -8.383 1.00 0.00 O ATOM 283 CB GLU A 19 13.863 -1.368 -9.011 1.00 0.00 C ATOM 284 CG GLU A 19 14.689 -2.589 -8.602 1.00 0.00 C ATOM 285 CD GLU A 19 14.269 -3.791 -9.441 1.00 0.00 C ATOM 286 OE1 GLU A 19 13.983 -3.601 -10.612 1.00 0.00 O ATOM 287 OE2 GLU A 19 14.240 -4.884 -8.900 1.00 0.00 O ATOM 0 H GLU A 19 14.409 -0.445 -5.887 1.00 0.00 H new ATOM 0 HA GLU A 19 15.027 0.089 -7.945 1.00 0.00 H new ATOM 0 HB2 GLU A 19 12.816 -1.648 -9.129 1.00 0.00 H new ATOM 0 HB3 GLU A 19 14.203 -0.993 -9.976 1.00 0.00 H new ATOM 0 HG2 GLU A 19 15.751 -2.387 -8.743 1.00 0.00 H new ATOM 0 HG3 GLU A 19 14.543 -2.802 -7.543 1.00 0.00 H new ATOM 294 N ILE A 20 11.771 0.558 -8.473 1.00 0.00 N ATOM 295 CA ILE A 20 10.766 1.576 -8.823 1.00 0.00 C ATOM 296 C ILE A 20 10.846 2.796 -7.885 1.00 0.00 C ATOM 297 O ILE A 20 10.392 2.728 -6.743 1.00 0.00 O ATOM 298 CB ILE A 20 9.338 1.009 -8.753 1.00 0.00 C ATOM 299 CG1 ILE A 20 9.178 0.113 -7.487 1.00 0.00 C ATOM 300 CG2 ILE A 20 9.022 0.254 -10.056 1.00 0.00 C ATOM 301 CD1 ILE A 20 9.308 -1.395 -7.794 1.00 0.00 C ATOM 0 H ILE A 20 11.402 -0.389 -8.391 1.00 0.00 H new ATOM 0 HA ILE A 20 10.988 1.883 -9.845 1.00 0.00 H new ATOM 0 HB ILE A 20 8.616 1.820 -8.659 1.00 0.00 H new ATOM 0 HG12 ILE A 20 9.932 0.395 -6.752 1.00 0.00 H new ATOM 0 HG13 ILE A 20 8.205 0.303 -7.035 1.00 0.00 H new ATOM 0 HG21 ILE A 20 8.010 -0.148 -10.007 1.00 0.00 H new ATOM 0 HG22 ILE A 20 9.100 0.938 -10.901 1.00 0.00 H new ATOM 0 HG23 ILE A 20 9.732 -0.563 -10.184 1.00 0.00 H new ATOM 0 HD11 ILE A 20 9.187 -1.966 -6.873 1.00 0.00 H new ATOM 0 HD12 ILE A 20 8.537 -1.689 -8.507 1.00 0.00 H new ATOM 0 HD13 ILE A 20 10.291 -1.596 -8.219 1.00 0.00 H new ATOM 313 N PRO A 21 11.417 3.926 -8.349 1.00 0.00 N ATOM 314 CA PRO A 21 11.534 5.141 -7.526 1.00 0.00 C ATOM 315 C PRO A 21 10.320 6.063 -7.671 1.00 0.00 C ATOM 316 O PRO A 21 9.268 5.649 -8.155 1.00 0.00 O ATOM 317 CB PRO A 21 12.786 5.789 -8.106 1.00 0.00 C ATOM 318 CG PRO A 21 12.944 5.268 -9.534 1.00 0.00 C ATOM 319 CD PRO A 21 11.990 4.081 -9.704 1.00 0.00 C ATOM 0 HA PRO A 21 11.587 4.932 -6.457 1.00 0.00 H new ATOM 0 HB2 PRO A 21 12.695 6.875 -8.101 1.00 0.00 H new ATOM 0 HB3 PRO A 21 13.661 5.540 -7.506 1.00 0.00 H new ATOM 0 HG2 PRO A 21 12.712 6.052 -10.255 1.00 0.00 H new ATOM 0 HG3 PRO A 21 13.974 4.961 -9.717 1.00 0.00 H new ATOM 0 HD2 PRO A 21 11.220 4.284 -10.448 1.00 0.00 H new ATOM 0 HD3 PRO A 21 12.516 3.182 -10.026 1.00 0.00 H new ATOM 327 N LEU A 22 10.475 7.315 -7.242 1.00 0.00 N ATOM 328 CA LEU A 22 9.377 8.280 -7.328 1.00 0.00 C ATOM 329 C LEU A 22 9.184 8.786 -8.754 1.00 0.00 C ATOM 330 O LEU A 22 8.074 9.139 -9.147 1.00 0.00 O ATOM 331 CB LEU A 22 9.623 9.477 -6.403 1.00 0.00 C ATOM 332 CG LEU A 22 9.228 9.273 -4.937 1.00 0.00 C ATOM 333 CD1 LEU A 22 7.755 8.870 -4.857 1.00 0.00 C ATOM 334 CD2 LEU A 22 10.090 8.176 -4.313 1.00 0.00 C ATOM 0 H LEU A 22 11.336 7.682 -6.837 1.00 0.00 H new ATOM 0 HA LEU A 22 8.474 7.757 -7.014 1.00 0.00 H new ATOM 0 HB2 LEU A 22 10.682 9.733 -6.443 1.00 0.00 H new ATOM 0 HB3 LEU A 22 9.073 10.334 -6.793 1.00 0.00 H new ATOM 0 HG LEU A 22 9.383 10.204 -4.392 1.00 0.00 H new ATOM 0 HD11 LEU A 22 7.474 8.725 -3.814 1.00 0.00 H new ATOM 0 HD12 LEU A 22 7.139 9.656 -5.293 1.00 0.00 H new ATOM 0 HD13 LEU A 22 7.601 7.941 -5.407 1.00 0.00 H new ATOM 0 HD21 LEU A 22 9.803 8.037 -3.271 1.00 0.00 H new ATOM 0 HD22 LEU A 22 9.943 7.243 -4.858 1.00 0.00 H new ATOM 0 HD23 LEU A 22 11.140 8.464 -4.365 1.00 0.00 H new ATOM 346 N ARG A 23 10.263 8.820 -9.531 1.00 0.00 N ATOM 347 CA ARG A 23 10.159 9.287 -10.913 1.00 0.00 C ATOM 348 C ARG A 23 9.308 8.327 -11.756 1.00 0.00 C ATOM 349 O ARG A 23 8.882 8.669 -12.859 1.00 0.00 O ATOM 350 CB ARG A 23 11.544 9.437 -11.552 1.00 0.00 C ATOM 351 CG ARG A 23 12.278 8.094 -11.540 1.00 0.00 C ATOM 352 CD ARG A 23 13.117 7.949 -12.815 1.00 0.00 C ATOM 353 NE ARG A 23 12.482 7.014 -13.748 1.00 0.00 N ATOM 354 CZ ARG A 23 12.577 5.684 -13.603 1.00 0.00 C ATOM 355 NH1 ARG A 23 13.245 5.154 -12.606 1.00 0.00 N ATOM 356 NH2 ARG A 23 11.993 4.903 -14.469 1.00 0.00 N ATOM 0 H ARG A 23 11.199 8.538 -9.239 1.00 0.00 H new ATOM 0 HA ARG A 23 9.674 10.263 -10.889 1.00 0.00 H new ATOM 0 HB2 ARG A 23 11.443 9.796 -12.576 1.00 0.00 H new ATOM 0 HB3 ARG A 23 12.125 10.182 -11.009 1.00 0.00 H new ATOM 0 HG2 ARG A 23 12.920 8.028 -10.662 1.00 0.00 H new ATOM 0 HG3 ARG A 23 11.560 7.277 -11.472 1.00 0.00 H new ATOM 0 HD2 ARG A 23 13.235 8.922 -13.291 1.00 0.00 H new ATOM 0 HD3 ARG A 23 14.116 7.595 -12.561 1.00 0.00 H new ATOM 0 HE ARG A 23 11.950 7.387 -14.534 1.00 0.00 H new ATOM 0 HH11 ARG A 23 13.704 5.756 -11.923 1.00 0.00 H new ATOM 0 HH12 ARG A 23 13.305 4.140 -12.514 1.00 0.00 H new ATOM 0 HH21 ARG A 23 11.470 5.305 -15.247 1.00 0.00 H new ATOM 0 HH22 ARG A 23 12.059 3.890 -14.368 1.00 0.00 H new ATOM 370 N ALA A 24 9.059 7.123 -11.229 1.00 0.00 N ATOM 371 CA ALA A 24 8.252 6.139 -11.947 1.00 0.00 C ATOM 372 C ALA A 24 6.882 6.001 -11.292 1.00 0.00 C ATOM 373 O ALA A 24 5.879 5.750 -11.959 1.00 0.00 O ATOM 374 CB ALA A 24 8.945 4.774 -11.945 1.00 0.00 C ATOM 0 H ALA A 24 9.401 6.812 -10.320 1.00 0.00 H new ATOM 0 HA ALA A 24 8.133 6.483 -12.974 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.330 4.053 -12.484 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.916 4.858 -12.432 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.082 4.437 -10.917 1.00 0.00 H new ATOM 380 N ILE A 25 6.856 6.172 -9.973 1.00 0.00 N ATOM 381 CA ILE A 25 5.613 6.070 -9.222 1.00 0.00 C ATOM 382 C ILE A 25 5.000 7.457 -9.039 1.00 0.00 C ATOM 383 O ILE A 25 5.693 8.471 -9.089 1.00 0.00 O ATOM 384 CB ILE A 25 5.867 5.437 -7.851 1.00 0.00 C ATOM 385 CG1 ILE A 25 6.636 4.121 -8.029 1.00 0.00 C ATOM 386 CG2 ILE A 25 4.533 5.148 -7.161 1.00 0.00 C ATOM 387 CD1 ILE A 25 7.009 3.553 -6.657 1.00 0.00 C ATOM 0 H ILE A 25 7.678 6.381 -9.407 1.00 0.00 H new ATOM 0 HA ILE A 25 4.922 5.439 -9.780 1.00 0.00 H new ATOM 0 HB ILE A 25 6.451 6.126 -7.241 1.00 0.00 H new ATOM 0 HG12 ILE A 25 6.026 3.403 -8.577 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.536 4.291 -8.620 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.718 4.698 -6.186 1.00 0.00 H new ATOM 0 HG22 ILE A 25 3.981 6.079 -7.032 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.948 4.461 -7.773 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.555 2.618 -6.786 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.636 4.269 -6.125 1.00 0.00 H new ATOM 0 HD13 ILE A 25 6.102 3.367 -6.082 1.00 0.00 H new ATOM 399 N LEU A 26 3.690 7.484 -8.836 1.00 0.00 N ATOM 400 CA LEU A 26 2.977 8.747 -8.658 1.00 0.00 C ATOM 401 C LEU A 26 2.470 8.881 -7.230 1.00 0.00 C ATOM 402 O LEU A 26 2.693 9.890 -6.565 1.00 0.00 O ATOM 403 CB LEU A 26 1.788 8.827 -9.610 1.00 0.00 C ATOM 404 CG LEU A 26 2.131 9.259 -11.033 1.00 0.00 C ATOM 405 CD1 LEU A 26 0.902 9.091 -11.923 1.00 0.00 C ATOM 406 CD2 LEU A 26 2.561 10.730 -11.034 1.00 0.00 C ATOM 0 H LEU A 26 3.100 6.653 -8.790 1.00 0.00 H new ATOM 0 HA LEU A 26 3.675 9.556 -8.873 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.306 7.850 -9.649 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.059 9.526 -9.200 1.00 0.00 H new ATOM 0 HG LEU A 26 2.946 8.643 -11.412 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.144 9.399 -12.940 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.594 8.045 -11.924 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.089 9.708 -11.541 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.806 11.037 -12.051 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.747 11.347 -10.655 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.437 10.853 -10.397 1.00 0.00 H new ATOM 418 N CYS A 27 1.775 7.849 -6.777 1.00 0.00 N ATOM 419 CA CYS A 27 1.220 7.843 -5.425 1.00 0.00 C ATOM 420 C CYS A 27 1.048 6.409 -4.941 1.00 0.00 C ATOM 421 O CYS A 27 1.364 5.461 -5.660 1.00 0.00 O ATOM 422 CB CYS A 27 -0.139 8.550 -5.398 1.00 0.00 C ATOM 423 SG CYS A 27 -1.236 7.816 -6.638 1.00 0.00 S ATOM 0 H CYS A 27 1.581 7.007 -7.319 1.00 0.00 H new ATOM 0 HA CYS A 27 1.910 8.373 -4.769 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -0.585 8.463 -4.407 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -0.010 9.614 -5.597 1.00 0.00 H new ATOM 428 N TYR A 28 0.544 6.248 -3.717 1.00 0.00 N ATOM 429 CA TYR A 28 0.346 4.907 -3.177 1.00 0.00 C ATOM 430 C TYR A 28 -1.016 4.779 -2.486 1.00 0.00 C ATOM 431 O TYR A 28 -1.618 5.770 -2.078 1.00 0.00 O ATOM 432 CB TYR A 28 1.515 4.524 -2.236 1.00 0.00 C ATOM 433 CG TYR A 28 1.207 4.771 -0.768 1.00 0.00 C ATOM 434 CD1 TYR A 28 0.671 5.994 -0.352 1.00 0.00 C ATOM 435 CD2 TYR A 28 1.460 3.763 0.169 1.00 0.00 C ATOM 436 CE1 TYR A 28 0.388 6.209 1.004 1.00 0.00 C ATOM 437 CE2 TYR A 28 1.180 3.975 1.524 1.00 0.00 C ATOM 438 CZ TYR A 28 0.642 5.199 1.942 1.00 0.00 C ATOM 439 OH TYR A 28 0.363 5.410 3.277 1.00 0.00 O ATOM 0 H TYR A 28 0.272 7.010 -3.096 1.00 0.00 H new ATOM 0 HA TYR A 28 0.344 4.199 -4.006 1.00 0.00 H new ATOM 0 HB2 TYR A 28 1.757 3.471 -2.378 1.00 0.00 H new ATOM 0 HB3 TYR A 28 2.400 5.095 -2.516 1.00 0.00 H new ATOM 0 HD1 TYR A 28 0.475 6.772 -1.075 1.00 0.00 H new ATOM 0 HD2 TYR A 28 1.873 2.819 -0.154 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -0.026 7.153 1.326 1.00 0.00 H new ATOM 0 HE2 TYR A 28 1.378 3.196 2.246 1.00 0.00 H new ATOM 0 HH TYR A 28 0.597 4.609 3.791 1.00 0.00 H new ATOM 449 N ARG A 29 -1.481 3.540 -2.361 1.00 0.00 N ATOM 450 CA ARG A 29 -2.767 3.280 -1.715 1.00 0.00 C ATOM 451 C ARG A 29 -2.867 1.818 -1.285 1.00 0.00 C ATOM 452 O ARG A 29 -2.507 0.910 -2.034 1.00 0.00 O ATOM 453 CB ARG A 29 -3.925 3.603 -2.664 1.00 0.00 C ATOM 454 CG ARG A 29 -3.702 2.908 -4.009 1.00 0.00 C ATOM 455 CD ARG A 29 -4.937 3.092 -4.892 1.00 0.00 C ATOM 456 NE ARG A 29 -5.983 2.134 -4.525 1.00 0.00 N ATOM 457 CZ ARG A 29 -5.942 0.851 -4.911 1.00 0.00 C ATOM 458 NH1 ARG A 29 -4.953 0.391 -5.641 1.00 0.00 N ATOM 459 NH2 ARG A 29 -6.903 0.044 -4.556 1.00 0.00 N ATOM 0 H ARG A 29 -0.995 2.707 -2.694 1.00 0.00 H new ATOM 0 HA ARG A 29 -2.832 3.921 -0.836 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.868 3.275 -2.227 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.999 4.681 -2.809 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.824 3.323 -4.503 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.508 1.847 -3.854 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -5.316 4.109 -4.789 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -4.665 2.958 -5.939 1.00 0.00 H new ATOM 0 HE ARG A 29 -6.768 2.454 -3.957 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -4.196 1.013 -5.925 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -4.941 -0.589 -5.924 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -7.677 0.391 -3.989 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -6.881 -0.934 -4.845 1.00 0.00 H new ATOM 473 N ASN A 30 -3.365 1.601 -0.069 1.00 0.00 N ATOM 474 CA ASN A 30 -3.515 0.243 0.451 1.00 0.00 C ATOM 475 C ASN A 30 -4.530 -0.530 -0.383 1.00 0.00 C ATOM 476 O ASN A 30 -5.237 0.043 -1.211 1.00 0.00 O ATOM 477 CB ASN A 30 -3.985 0.274 1.908 1.00 0.00 C ATOM 478 CG ASN A 30 -2.784 0.462 2.827 1.00 0.00 C ATOM 479 OD1 ASN A 30 -2.690 1.548 3.545 1.00 0.00 O flip ATOM 480 ND2 ASN A 30 -1.907 -0.398 2.897 1.00 0.00 N flip ATOM 0 H ASN A 30 -3.668 2.338 0.568 1.00 0.00 H new ATOM 0 HA ASN A 30 -2.544 -0.250 0.397 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -4.698 1.085 2.054 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -4.503 -0.653 2.154 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -1.979 -1.247 2.336 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -1.108 -0.262 3.516 1.00 0.00 H new ATOM 487 N THR A 31 -4.598 -1.841 -0.157 1.00 0.00 N ATOM 488 CA THR A 31 -5.537 -2.676 -0.901 1.00 0.00 C ATOM 489 C THR A 31 -6.165 -3.731 0.012 1.00 0.00 C ATOM 490 O THR A 31 -6.045 -4.933 -0.224 1.00 0.00 O ATOM 491 CB THR A 31 -4.828 -3.362 -2.076 1.00 0.00 C ATOM 492 OG1 THR A 31 -5.764 -4.158 -2.790 1.00 0.00 O ATOM 493 CG2 THR A 31 -3.689 -4.250 -1.564 1.00 0.00 C ATOM 0 H THR A 31 -4.025 -2.340 0.523 1.00 0.00 H new ATOM 0 HA THR A 31 -6.328 -2.033 -1.288 1.00 0.00 H new ATOM 0 HB THR A 31 -4.412 -2.599 -2.734 1.00 0.00 H new ATOM 0 HG1 THR A 31 -6.058 -4.903 -2.225 1.00 0.00 H new ATOM 0 HG21 THR A 31 -3.195 -4.731 -2.408 1.00 0.00 H new ATOM 0 HG22 THR A 31 -2.968 -3.639 -1.021 1.00 0.00 H new ATOM 0 HG23 THR A 31 -4.093 -5.013 -0.898 1.00 0.00 H new ATOM 501 N SER A 32 -6.844 -3.263 1.059 1.00 0.00 N ATOM 502 CA SER A 32 -7.499 -4.169 2.005 1.00 0.00 C ATOM 503 C SER A 32 -6.503 -5.178 2.572 1.00 0.00 C ATOM 504 O SER A 32 -5.312 -5.142 2.257 1.00 0.00 O ATOM 505 CB SER A 32 -8.631 -4.929 1.314 1.00 0.00 C ATOM 506 OG SER A 32 -9.830 -4.172 1.406 1.00 0.00 O ATOM 0 H SER A 32 -6.955 -2.272 1.273 1.00 0.00 H new ATOM 0 HA SER A 32 -7.901 -3.565 2.819 1.00 0.00 H new ATOM 0 HB2 SER A 32 -8.379 -5.107 0.269 1.00 0.00 H new ATOM 0 HB3 SER A 32 -8.767 -5.905 1.780 1.00 0.00 H new ATOM 0 HG SER A 32 -10.557 -4.656 0.962 1.00 0.00 H new ATOM 512 N SER A 33 -7.006 -6.085 3.405 1.00 0.00 N ATOM 513 CA SER A 33 -6.153 -7.110 4.002 1.00 0.00 C ATOM 514 C SER A 33 -6.235 -8.421 3.214 1.00 0.00 C ATOM 515 O SER A 33 -5.861 -9.480 3.717 1.00 0.00 O ATOM 516 CB SER A 33 -6.573 -7.375 5.447 1.00 0.00 C ATOM 517 OG SER A 33 -6.241 -6.248 6.247 1.00 0.00 O ATOM 0 H SER A 33 -7.987 -6.132 3.680 1.00 0.00 H new ATOM 0 HA SER A 33 -5.127 -6.742 3.977 1.00 0.00 H new ATOM 0 HB2 SER A 33 -7.645 -7.568 5.497 1.00 0.00 H new ATOM 0 HB3 SER A 33 -6.071 -8.265 5.826 1.00 0.00 H new ATOM 0 HG SER A 33 -6.511 -6.414 7.174 1.00 0.00 H new ATOM 523 N ILE A 34 -6.731 -8.346 1.974 1.00 0.00 N ATOM 524 CA ILE A 34 -6.853 -9.542 1.140 1.00 0.00 C ATOM 525 C ILE A 34 -5.489 -10.201 0.933 1.00 0.00 C ATOM 526 O ILE A 34 -5.340 -11.411 1.106 1.00 0.00 O ATOM 527 CB ILE A 34 -7.485 -9.199 -0.232 1.00 0.00 C ATOM 528 CG1 ILE A 34 -7.434 -10.426 -1.162 1.00 0.00 C ATOM 529 CG2 ILE A 34 -6.734 -8.038 -0.896 1.00 0.00 C ATOM 530 CD1 ILE A 34 -8.749 -10.554 -1.924 1.00 0.00 C ATOM 0 H ILE A 34 -7.049 -7.483 1.533 1.00 0.00 H new ATOM 0 HA ILE A 34 -7.507 -10.242 1.660 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.522 -8.908 -0.064 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -6.605 -10.328 -1.863 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -7.252 -11.328 -0.578 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -7.192 -7.811 -1.859 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.784 -7.158 -0.254 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -5.692 -8.318 -1.047 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -8.706 -11.424 -2.580 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -9.569 -10.673 -1.216 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -8.912 -9.657 -2.521 1.00 0.00 H new ATOM 542 N CYS A 35 -4.508 -9.403 0.542 1.00 0.00 N ATOM 543 CA CYS A 35 -3.175 -9.937 0.295 1.00 0.00 C ATOM 544 C CYS A 35 -2.591 -10.518 1.580 1.00 0.00 C ATOM 545 O CYS A 35 -3.285 -10.649 2.588 1.00 0.00 O ATOM 546 CB CYS A 35 -2.237 -8.847 -0.241 1.00 0.00 C ATOM 547 SG CYS A 35 -2.999 -7.994 -1.650 1.00 0.00 S ATOM 0 H CYS A 35 -4.605 -8.399 0.390 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.264 -10.724 -0.454 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -2.013 -8.130 0.549 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -1.289 -9.291 -0.546 1.00 0.00 H new ATOM 552 N SER A 36 -1.307 -10.867 1.533 1.00 0.00 N ATOM 553 CA SER A 36 -0.637 -11.435 2.700 1.00 0.00 C ATOM 554 C SER A 36 -0.546 -10.399 3.818 1.00 0.00 C ATOM 555 O SER A 36 0.491 -9.764 4.011 1.00 0.00 O ATOM 556 CB SER A 36 0.771 -11.905 2.332 1.00 0.00 C ATOM 557 OG SER A 36 1.261 -11.121 1.251 1.00 0.00 O ATOM 0 H SER A 36 -0.715 -10.768 0.708 1.00 0.00 H new ATOM 0 HA SER A 36 -1.222 -12.288 3.045 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.434 -11.813 3.192 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.754 -12.959 2.054 1.00 0.00 H new ATOM 0 HG SER A 36 2.164 -11.419 1.014 1.00 0.00 H new ATOM 563 N ASN A 37 -1.652 -10.241 4.548 1.00 0.00 N ATOM 564 CA ASN A 37 -1.717 -9.283 5.654 1.00 0.00 C ATOM 565 C ASN A 37 -1.559 -7.850 5.147 1.00 0.00 C ATOM 566 O ASN A 37 -2.534 -7.104 5.046 1.00 0.00 O ATOM 567 CB ASN A 37 -0.634 -9.576 6.700 1.00 0.00 C ATOM 568 CG ASN A 37 -1.106 -10.699 7.617 1.00 0.00 C ATOM 569 OD1 ASN A 37 -1.393 -10.472 8.791 1.00 0.00 O ATOM 570 ND2 ASN A 37 -1.202 -11.913 7.145 1.00 0.00 N ATOM 0 H ASN A 37 -2.514 -10.764 4.394 1.00 0.00 H new ATOM 0 HA ASN A 37 -2.697 -9.389 6.119 1.00 0.00 H new ATOM 0 HB2 ASN A 37 0.296 -9.861 6.207 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -0.424 -8.679 7.283 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -1.515 -12.672 7.750 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -0.964 -12.102 6.171 1.00 0.00 H new ATOM 577 N GLU A 38 -0.323 -7.468 4.832 1.00 0.00 N ATOM 578 CA GLU A 38 -0.055 -6.120 4.342 1.00 0.00 C ATOM 579 C GLU A 38 -0.245 -6.048 2.829 1.00 0.00 C ATOM 580 O GLU A 38 0.621 -6.460 2.058 1.00 0.00 O ATOM 581 CB GLU A 38 1.378 -5.704 4.682 1.00 0.00 C ATOM 582 CG GLU A 38 1.434 -5.199 6.125 1.00 0.00 C ATOM 583 CD GLU A 38 2.871 -5.262 6.630 1.00 0.00 C ATOM 584 OE1 GLU A 38 3.534 -6.246 6.350 1.00 0.00 O ATOM 585 OE2 GLU A 38 3.287 -4.324 7.290 1.00 0.00 O ATOM 0 H GLU A 38 0.500 -8.066 4.906 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.758 -5.443 4.827 1.00 0.00 H new ATOM 0 HB2 GLU A 38 2.053 -6.550 4.555 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.713 -4.923 3.999 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.063 -4.175 6.178 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.787 -5.805 6.759 1.00 0.00 H new ATOM 592 N GLY A 39 -1.390 -5.509 2.415 1.00 0.00 N ATOM 593 CA GLY A 39 -1.690 -5.376 0.990 1.00 0.00 C ATOM 594 C GLY A 39 -1.611 -3.913 0.567 1.00 0.00 C ATOM 595 O GLY A 39 -2.459 -3.099 0.936 1.00 0.00 O ATOM 0 H GLY A 39 -2.119 -5.160 3.038 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.986 -5.969 0.406 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.686 -5.768 0.783 1.00 0.00 H new ATOM 599 N LEU A 40 -0.576 -3.585 -0.201 1.00 0.00 N ATOM 600 CA LEU A 40 -0.386 -2.211 -0.657 1.00 0.00 C ATOM 601 C LEU A 40 -0.309 -2.142 -2.180 1.00 0.00 C ATOM 602 O LEU A 40 0.062 -3.109 -2.845 1.00 0.00 O ATOM 603 CB LEU A 40 0.901 -1.638 -0.063 1.00 0.00 C ATOM 604 CG LEU A 40 1.264 -0.222 -0.512 1.00 0.00 C ATOM 605 CD1 LEU A 40 0.186 0.749 -0.042 1.00 0.00 C ATOM 606 CD2 LEU A 40 2.602 0.181 0.109 1.00 0.00 C ATOM 0 H LEU A 40 0.136 -4.243 -0.518 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.243 -1.625 -0.323 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.812 -1.644 1.023 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.726 -2.303 -0.319 1.00 0.00 H new ATOM 0 HG LEU A 40 1.339 -0.194 -1.599 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.442 1.759 -0.361 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.773 0.465 -0.474 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.118 0.718 1.045 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.862 1.190 -0.210 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.522 0.154 1.196 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.377 -0.513 -0.215 1.00 0.00 H new ATOM 618 N ILE A 41 -0.662 -0.978 -2.718 1.00 0.00 N ATOM 619 CA ILE A 41 -0.631 -0.764 -4.162 1.00 0.00 C ATOM 620 C ILE A 41 -0.165 0.664 -4.458 1.00 0.00 C ATOM 621 O ILE A 41 -0.222 1.542 -3.597 1.00 0.00 O ATOM 622 CB ILE A 41 -2.026 -1.004 -4.771 1.00 0.00 C ATOM 623 CG1 ILE A 41 -2.395 -2.484 -4.605 1.00 0.00 C ATOM 624 CG2 ILE A 41 -2.031 -0.645 -6.264 1.00 0.00 C ATOM 625 CD1 ILE A 41 -3.811 -2.731 -5.136 1.00 0.00 C ATOM 0 H ILE A 41 -0.972 -0.170 -2.178 1.00 0.00 H new ATOM 0 HA ILE A 41 0.067 -1.471 -4.611 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.751 -0.373 -4.257 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.681 -3.108 -5.143 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.337 -2.767 -3.554 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.024 -0.821 -6.677 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -1.768 0.406 -6.386 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.304 -1.265 -6.790 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -4.066 -3.784 -5.015 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.520 -2.119 -4.579 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.855 -2.466 -6.192 1.00 0.00 H new ATOM 637 N PHE A 42 0.300 0.882 -5.686 1.00 0.00 N ATOM 638 CA PHE A 42 0.778 2.202 -6.084 1.00 0.00 C ATOM 639 C PHE A 42 0.196 2.613 -7.432 1.00 0.00 C ATOM 640 O PHE A 42 -0.550 1.865 -8.065 1.00 0.00 O ATOM 641 CB PHE A 42 2.299 2.208 -6.210 1.00 0.00 C ATOM 642 CG PHE A 42 2.940 2.261 -4.847 1.00 0.00 C ATOM 643 CD1 PHE A 42 2.967 1.118 -4.040 1.00 0.00 C ATOM 644 CD2 PHE A 42 3.537 3.447 -4.402 1.00 0.00 C ATOM 645 CE1 PHE A 42 3.591 1.162 -2.792 1.00 0.00 C ATOM 646 CE2 PHE A 42 4.159 3.490 -3.151 1.00 0.00 C ATOM 647 CZ PHE A 42 4.188 2.349 -2.348 1.00 0.00 C ATOM 0 H PHE A 42 0.356 0.170 -6.415 1.00 0.00 H new ATOM 0 HA PHE A 42 0.459 2.903 -5.313 1.00 0.00 H new ATOM 0 HB2 PHE A 42 2.630 1.315 -6.740 1.00 0.00 H new ATOM 0 HB3 PHE A 42 2.618 3.066 -6.802 1.00 0.00 H new ATOM 0 HD1 PHE A 42 2.506 0.203 -4.382 1.00 0.00 H new ATOM 0 HD2 PHE A 42 3.517 4.329 -5.026 1.00 0.00 H new ATOM 0 HE1 PHE A 42 3.614 0.280 -2.168 1.00 0.00 H new ATOM 0 HE2 PHE A 42 4.617 4.405 -2.806 1.00 0.00 H new ATOM 0 HZ PHE A 42 4.671 2.381 -1.383 1.00 0.00 H new ATOM 657 N LYS A 43 0.572 3.812 -7.867 1.00 0.00 N ATOM 658 CA LYS A 43 0.115 4.340 -9.151 1.00 0.00 C ATOM 659 C LYS A 43 1.306 4.882 -9.931 1.00 0.00 C ATOM 660 O LYS A 43 2.198 5.494 -9.357 1.00 0.00 O ATOM 661 CB LYS A 43 -0.888 5.475 -8.945 1.00 0.00 C ATOM 662 CG LYS A 43 -1.754 5.615 -10.197 1.00 0.00 C ATOM 663 CD LYS A 43 -2.863 4.561 -10.170 1.00 0.00 C ATOM 664 CE LYS A 43 -3.974 4.953 -11.148 1.00 0.00 C ATOM 665 NZ LYS A 43 -5.079 5.618 -10.403 1.00 0.00 N ATOM 0 H LYS A 43 1.191 4.437 -7.351 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.366 3.531 -9.701 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.514 5.270 -8.077 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.362 6.409 -8.746 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.188 6.614 -10.242 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.142 5.492 -11.091 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.457 3.586 -10.438 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.268 4.471 -9.162 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.581 5.624 -11.912 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.349 4.068 -11.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.834 5.885 -11.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.460 4.964 -9.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.716 6.471 -9.931 1.00 0.00 H new ATOM 679 N LEU A 44 1.319 4.656 -11.241 1.00 0.00 N ATOM 680 CA LEU A 44 2.425 5.143 -12.065 1.00 0.00 C ATOM 681 C LEU A 44 1.905 6.009 -13.208 1.00 0.00 C ATOM 682 O LEU A 44 0.699 6.110 -13.431 1.00 0.00 O ATOM 683 CB LEU A 44 3.220 3.973 -12.649 1.00 0.00 C ATOM 684 CG LEU A 44 3.745 2.967 -11.622 1.00 0.00 C ATOM 685 CD1 LEU A 44 2.655 1.940 -11.302 1.00 0.00 C ATOM 686 CD2 LEU A 44 4.971 2.249 -12.196 1.00 0.00 C ATOM 0 H LEU A 44 0.593 4.150 -11.749 1.00 0.00 H new ATOM 0 HA LEU A 44 3.076 5.740 -11.426 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.587 3.444 -13.362 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.066 4.372 -13.209 1.00 0.00 H new ATOM 0 HG LEU A 44 4.023 3.493 -10.709 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.032 1.225 -10.571 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.783 2.450 -10.894 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.374 1.412 -12.213 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.347 1.532 -11.467 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.691 1.725 -13.110 1.00 0.00 H new ATOM 0 HD23 LEU A 44 5.748 2.979 -12.421 1.00 0.00 H new ATOM 698 N LYS A 45 2.834 6.636 -13.928 1.00 0.00 N ATOM 699 CA LYS A 45 2.465 7.498 -15.050 1.00 0.00 C ATOM 700 C LYS A 45 2.288 6.687 -16.332 1.00 0.00 C ATOM 701 O LYS A 45 1.589 7.109 -17.252 1.00 0.00 O ATOM 702 CB LYS A 45 3.537 8.565 -15.281 1.00 0.00 C ATOM 703 CG LYS A 45 3.285 9.757 -14.355 1.00 0.00 C ATOM 704 CD LYS A 45 2.295 10.719 -15.016 1.00 0.00 C ATOM 705 CE LYS A 45 3.062 11.807 -15.769 1.00 0.00 C ATOM 706 NZ LYS A 45 3.962 11.176 -16.776 1.00 0.00 N ATOM 0 H LYS A 45 3.837 6.565 -13.757 1.00 0.00 H new ATOM 0 HA LYS A 45 1.519 7.976 -14.798 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.526 8.148 -15.092 1.00 0.00 H new ATOM 0 HB3 LYS A 45 3.522 8.890 -16.321 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.890 9.411 -13.400 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.223 10.272 -14.144 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.647 10.175 -15.703 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.651 11.170 -14.261 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.364 12.483 -16.263 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.645 12.406 -15.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 4.328 11.906 -17.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 4.757 10.714 -16.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 3.430 10.468 -17.321 1.00 0.00 H new ATOM 720 N ARG A 46 2.923 5.514 -16.387 1.00 0.00 N ATOM 721 CA ARG A 46 2.818 4.654 -17.567 1.00 0.00 C ATOM 722 C ARG A 46 1.356 4.340 -17.893 1.00 0.00 C ATOM 723 O ARG A 46 1.022 4.000 -19.028 1.00 0.00 O ATOM 724 CB ARG A 46 3.567 3.341 -17.336 1.00 0.00 C ATOM 725 CG ARG A 46 3.745 2.613 -18.671 1.00 0.00 C ATOM 726 CD ARG A 46 4.920 3.226 -19.433 1.00 0.00 C ATOM 727 NE ARG A 46 5.394 2.310 -20.475 1.00 0.00 N ATOM 728 CZ ARG A 46 4.692 2.081 -21.595 1.00 0.00 C ATOM 729 NH1 ARG A 46 3.543 2.675 -21.811 1.00 0.00 N ATOM 730 NH2 ARG A 46 5.163 1.253 -22.486 1.00 0.00 N ATOM 0 H ARG A 46 3.508 5.142 -15.639 1.00 0.00 H new ATOM 0 HA ARG A 46 3.262 5.191 -18.406 1.00 0.00 H new ATOM 0 HB2 ARG A 46 4.539 3.539 -16.885 1.00 0.00 H new ATOM 0 HB3 ARG A 46 3.014 2.713 -16.638 1.00 0.00 H new ATOM 0 HG2 ARG A 46 3.924 1.552 -18.498 1.00 0.00 H new ATOM 0 HG3 ARG A 46 2.833 2.690 -19.264 1.00 0.00 H new ATOM 0 HD2 ARG A 46 4.615 4.171 -19.883 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.732 3.450 -18.741 1.00 0.00 H new ATOM 0 HE ARG A 46 6.285 1.832 -20.344 1.00 0.00 H new ATOM 0 HH11 ARG A 46 3.167 3.325 -21.121 1.00 0.00 H new ATOM 0 HH12 ARG A 46 3.025 2.487 -22.669 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.056 0.787 -22.327 1.00 0.00 H new ATOM 0 HH22 ARG A 46 4.638 1.071 -23.341 1.00 0.00 H new ATOM 744 N GLY A 47 0.485 4.455 -16.889 1.00 0.00 N ATOM 745 CA GLY A 47 -0.933 4.176 -17.093 1.00 0.00 C ATOM 746 C GLY A 47 -1.319 2.856 -16.438 1.00 0.00 C ATOM 747 O GLY A 47 -2.125 2.092 -16.971 1.00 0.00 O ATOM 0 H GLY A 47 0.734 4.735 -15.940 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.532 4.985 -16.675 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -1.152 4.136 -18.160 1.00 0.00 H new ATOM 751 N LYS A 48 -0.728 2.593 -15.276 1.00 0.00 N ATOM 752 CA LYS A 48 -1.012 1.359 -14.551 1.00 0.00 C ATOM 753 C LYS A 48 -0.661 1.517 -13.075 1.00 0.00 C ATOM 754 O LYS A 48 -0.250 2.590 -12.632 1.00 0.00 O ATOM 755 CB LYS A 48 -0.205 0.198 -15.135 1.00 0.00 C ATOM 756 CG LYS A 48 -0.954 -0.397 -16.329 1.00 0.00 C ATOM 757 CD LYS A 48 -0.371 -1.770 -16.668 1.00 0.00 C ATOM 758 CE LYS A 48 -0.499 -2.022 -18.171 1.00 0.00 C ATOM 759 NZ LYS A 48 -1.775 -2.741 -18.448 1.00 0.00 N ATOM 0 H LYS A 48 -0.056 3.211 -14.820 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.076 1.146 -14.650 1.00 0.00 H new ATOM 0 HB2 LYS A 48 0.779 0.547 -15.447 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.046 -0.567 -14.375 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -2.015 -0.489 -16.097 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.872 0.267 -17.190 1.00 0.00 H new ATOM 0 HD2 LYS A 48 0.676 -1.816 -16.369 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -0.896 -2.547 -16.112 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -0.477 -1.076 -18.712 1.00 0.00 H new ATOM 0 HE3 LYS A 48 0.347 -2.611 -18.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -1.862 -2.912 -19.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -1.778 -3.650 -17.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -2.577 -2.163 -18.124 1.00 0.00 H new ATOM 773 N GLU A 49 -0.831 0.437 -12.319 1.00 0.00 N ATOM 774 CA GLU A 49 -0.528 0.462 -10.890 1.00 0.00 C ATOM 775 C GLU A 49 0.575 -0.538 -10.564 1.00 0.00 C ATOM 776 O GLU A 49 1.115 -1.205 -11.446 1.00 0.00 O ATOM 777 CB GLU A 49 -1.773 0.106 -10.074 1.00 0.00 C ATOM 778 CG GLU A 49 -2.865 1.153 -10.314 1.00 0.00 C ATOM 779 CD GLU A 49 -4.231 0.475 -10.327 1.00 0.00 C ATOM 780 OE1 GLU A 49 -4.338 -0.587 -10.917 1.00 0.00 O ATOM 781 OE2 GLU A 49 -5.150 1.029 -9.746 1.00 0.00 O ATOM 0 H GLU A 49 -1.173 -0.459 -12.666 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.198 1.469 -10.633 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.135 -0.882 -10.357 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.524 0.062 -9.014 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.832 1.913 -9.533 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.692 1.663 -11.262 1.00 0.00 H new ATOM 788 N ALA A 50 0.897 -0.635 -9.279 1.00 0.00 N ATOM 789 CA ALA A 50 1.933 -1.557 -8.825 1.00 0.00 C ATOM 790 C ALA A 50 1.561 -2.120 -7.458 1.00 0.00 C ATOM 791 O ALA A 50 1.008 -1.415 -6.618 1.00 0.00 O ATOM 792 CB ALA A 50 3.281 -0.840 -8.725 1.00 0.00 C ATOM 0 H ALA A 50 0.459 -0.090 -8.536 1.00 0.00 H new ATOM 0 HA ALA A 50 2.014 -2.369 -9.548 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.042 -1.542 -8.385 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.559 -0.449 -9.704 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.203 -0.017 -8.015 1.00 0.00 H new ATOM 798 N CYS A 51 1.856 -3.397 -7.247 1.00 0.00 N ATOM 799 CA CYS A 51 1.529 -4.038 -5.976 1.00 0.00 C ATOM 800 C CYS A 51 2.697 -3.958 -4.998 1.00 0.00 C ATOM 801 O CYS A 51 3.863 -3.914 -5.392 1.00 0.00 O ATOM 802 CB CYS A 51 1.159 -5.505 -6.193 1.00 0.00 C ATOM 803 SG CYS A 51 -0.567 -5.620 -6.733 1.00 0.00 S ATOM 0 H CYS A 51 2.314 -4.003 -7.927 1.00 0.00 H new ATOM 0 HA CYS A 51 0.678 -3.504 -5.553 1.00 0.00 H new ATOM 0 HB2 CYS A 51 1.815 -5.950 -6.941 1.00 0.00 H new ATOM 0 HB3 CYS A 51 1.301 -6.067 -5.270 1.00 0.00 H new ATOM 808 N ALA A 52 2.355 -3.943 -3.714 1.00 0.00 N ATOM 809 CA ALA A 52 3.356 -3.872 -2.653 1.00 0.00 C ATOM 810 C ALA A 52 2.748 -4.363 -1.343 1.00 0.00 C ATOM 811 O ALA A 52 1.558 -4.673 -1.278 1.00 0.00 O ATOM 812 CB ALA A 52 3.847 -2.433 -2.473 1.00 0.00 C ATOM 0 H ALA A 52 1.391 -3.979 -3.382 1.00 0.00 H new ATOM 0 HA ALA A 52 4.201 -4.502 -2.930 1.00 0.00 H new ATOM 0 HB1 ALA A 52 4.592 -2.400 -1.678 1.00 0.00 H new ATOM 0 HB2 ALA A 52 4.293 -2.082 -3.404 1.00 0.00 H new ATOM 0 HB3 ALA A 52 3.006 -1.792 -2.209 1.00 0.00 H new ATOM 818 N LEU A 53 3.568 -4.436 -0.299 1.00 0.00 N ATOM 819 CA LEU A 53 3.080 -4.895 0.998 1.00 0.00 C ATOM 820 C LEU A 53 2.361 -3.761 1.729 1.00 0.00 C ATOM 821 O LEU A 53 1.133 -3.699 1.736 1.00 0.00 O ATOM 822 CB LEU A 53 4.235 -5.421 1.858 1.00 0.00 C ATOM 823 CG LEU A 53 4.520 -6.920 1.719 1.00 0.00 C ATOM 824 CD1 LEU A 53 3.242 -7.715 1.998 1.00 0.00 C ATOM 825 CD2 LEU A 53 5.006 -7.218 0.298 1.00 0.00 C ATOM 0 H LEU A 53 4.557 -4.188 -0.323 1.00 0.00 H new ATOM 0 HA LEU A 53 2.375 -5.709 0.826 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.139 -4.870 1.600 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.017 -5.204 2.904 1.00 0.00 H new ATOM 0 HG LEU A 53 5.289 -7.209 2.435 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.447 -8.781 1.898 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.897 -7.505 3.010 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.471 -7.426 1.284 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.209 -8.284 0.199 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.237 -6.927 -0.418 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.918 -6.655 0.100 1.00 0.00 H new ATOM 837 N ASP A 54 3.144 -2.865 2.333 1.00 0.00 N ATOM 838 CA ASP A 54 2.592 -1.720 3.065 1.00 0.00 C ATOM 839 C ASP A 54 3.719 -0.939 3.742 1.00 0.00 C ATOM 840 O ASP A 54 4.012 0.197 3.372 1.00 0.00 O ATOM 841 CB ASP A 54 1.581 -2.170 4.133 1.00 0.00 C ATOM 842 CG ASP A 54 0.963 -0.950 4.814 1.00 0.00 C ATOM 843 OD1 ASP A 54 0.562 -0.041 4.106 1.00 0.00 O ATOM 844 OD2 ASP A 54 0.900 -0.944 6.031 1.00 0.00 O ATOM 0 H ASP A 54 4.163 -2.909 2.330 1.00 0.00 H new ATOM 0 HA ASP A 54 2.077 -1.085 2.344 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.799 -2.775 3.674 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.077 -2.798 4.873 1.00 0.00 H new ATOM 849 N THR A 55 4.340 -1.559 4.741 1.00 0.00 N ATOM 850 CA THR A 55 5.428 -0.907 5.467 1.00 0.00 C ATOM 851 C THR A 55 6.761 -1.585 5.162 1.00 0.00 C ATOM 852 O THR A 55 7.509 -1.973 6.063 1.00 0.00 O ATOM 853 CB THR A 55 5.161 -0.946 6.971 1.00 0.00 C ATOM 854 OG1 THR A 55 5.190 -2.293 7.423 1.00 0.00 O ATOM 855 CG2 THR A 55 3.789 -0.339 7.251 1.00 0.00 C ATOM 0 H THR A 55 4.114 -2.500 5.064 1.00 0.00 H new ATOM 0 HA THR A 55 5.480 0.132 5.141 1.00 0.00 H new ATOM 0 HB THR A 55 5.927 -0.375 7.496 1.00 0.00 H new ATOM 0 HG1 THR A 55 4.338 -2.728 7.210 1.00 0.00 H new ATOM 0 HG21 THR A 55 3.592 -0.364 8.323 1.00 0.00 H new ATOM 0 HG22 THR A 55 3.770 0.694 6.902 1.00 0.00 H new ATOM 0 HG23 THR A 55 3.024 -0.913 6.728 1.00 0.00 H new ATOM 863 N VAL A 56 7.040 -1.721 3.875 1.00 0.00 N ATOM 864 CA VAL A 56 8.281 -2.353 3.426 1.00 0.00 C ATOM 865 C VAL A 56 9.497 -1.529 3.851 1.00 0.00 C ATOM 866 O VAL A 56 10.527 -2.069 4.257 1.00 0.00 O ATOM 867 CB VAL A 56 8.287 -2.488 1.897 1.00 0.00 C ATOM 868 CG1 VAL A 56 7.115 -3.362 1.452 1.00 0.00 C ATOM 869 CG2 VAL A 56 8.155 -1.103 1.252 1.00 0.00 C ATOM 0 H VAL A 56 6.429 -1.405 3.122 1.00 0.00 H new ATOM 0 HA VAL A 56 8.336 -3.340 3.886 1.00 0.00 H new ATOM 0 HB VAL A 56 9.225 -2.947 1.586 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.123 -3.455 0.366 1.00 0.00 H new ATOM 0 HG12 VAL A 56 7.207 -4.351 1.902 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.178 -2.904 1.770 1.00 0.00 H new ATOM 0 HG21 VAL A 56 8.160 -1.205 0.167 1.00 0.00 H new ATOM 0 HG22 VAL A 56 7.220 -0.642 1.569 1.00 0.00 H new ATOM 0 HG23 VAL A 56 8.992 -0.476 1.561 1.00 0.00 H new ATOM 879 N GLY A 57 9.363 -0.214 3.727 1.00 0.00 N ATOM 880 CA GLY A 57 10.446 0.703 4.069 1.00 0.00 C ATOM 881 C GLY A 57 10.520 1.808 3.025 1.00 0.00 C ATOM 882 O GLY A 57 10.398 2.991 3.339 1.00 0.00 O ATOM 0 H GLY A 57 8.515 0.243 3.392 1.00 0.00 H new ATOM 0 HA2 GLY A 57 10.277 1.131 5.057 1.00 0.00 H new ATOM 0 HA3 GLY A 57 11.393 0.165 4.113 1.00 0.00 H new ATOM 886 N TRP A 58 10.692 1.401 1.769 1.00 0.00 N ATOM 887 CA TRP A 58 10.746 2.361 0.671 1.00 0.00 C ATOM 888 C TRP A 58 9.362 2.981 0.430 1.00 0.00 C ATOM 889 O TRP A 58 9.233 3.989 -0.263 1.00 0.00 O ATOM 890 CB TRP A 58 11.259 1.686 -0.612 1.00 0.00 C ATOM 891 CG TRP A 58 10.298 0.633 -1.079 1.00 0.00 C ATOM 892 CD1 TRP A 58 10.434 -0.698 -0.883 1.00 0.00 C ATOM 893 CD2 TRP A 58 9.065 0.812 -1.829 1.00 0.00 C ATOM 894 NE1 TRP A 58 9.355 -1.346 -1.461 1.00 0.00 N ATOM 895 CE2 TRP A 58 8.486 -0.455 -2.061 1.00 0.00 C ATOM 896 CE3 TRP A 58 8.403 1.944 -2.325 1.00 0.00 C ATOM 897 CZ2 TRP A 58 7.288 -0.591 -2.764 1.00 0.00 C ATOM 898 CZ3 TRP A 58 7.201 1.813 -3.034 1.00 0.00 C ATOM 899 CH2 TRP A 58 6.645 0.549 -3.255 1.00 0.00 C ATOM 0 H TRP A 58 10.795 0.426 1.489 1.00 0.00 H new ATOM 0 HA TRP A 58 11.440 3.156 0.945 1.00 0.00 H new ATOM 0 HB2 TRP A 58 11.394 2.434 -1.393 1.00 0.00 H new ATOM 0 HB3 TRP A 58 12.235 1.238 -0.428 1.00 0.00 H new ATOM 0 HD1 TRP A 58 11.250 -1.177 -0.362 1.00 0.00 H new ATOM 0 HE1 TRP A 58 9.219 -2.357 -1.446 1.00 0.00 H new ATOM 0 HE3 TRP A 58 8.823 2.925 -2.159 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 6.861 -1.569 -2.927 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 6.702 2.693 -3.412 1.00 0.00 H new ATOM 0 HH2 TRP A 58 5.720 0.454 -3.804 1.00 0.00 H new ATOM 910 N VAL A 59 8.326 2.383 1.024 1.00 0.00 N ATOM 911 CA VAL A 59 6.977 2.908 0.878 1.00 0.00 C ATOM 912 C VAL A 59 6.840 4.161 1.742 1.00 0.00 C ATOM 913 O VAL A 59 6.192 5.128 1.354 1.00 0.00 O ATOM 914 CB VAL A 59 5.944 1.848 1.314 1.00 0.00 C ATOM 915 CG1 VAL A 59 4.538 2.461 1.413 1.00 0.00 C ATOM 916 CG2 VAL A 59 5.925 0.703 0.295 1.00 0.00 C ATOM 0 H VAL A 59 8.399 1.546 1.602 1.00 0.00 H new ATOM 0 HA VAL A 59 6.792 3.159 -0.166 1.00 0.00 H new ATOM 0 HB VAL A 59 6.231 1.471 2.296 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.828 1.694 1.722 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.543 3.267 2.147 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.244 2.857 0.441 1.00 0.00 H new ATOM 0 HG21 VAL A 59 5.195 -0.046 0.603 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.653 1.093 -0.686 1.00 0.00 H new ATOM 0 HG23 VAL A 59 6.913 0.246 0.242 1.00 0.00 H new ATOM 926 N GLN A 60 7.456 4.120 2.921 1.00 0.00 N ATOM 927 CA GLN A 60 7.393 5.253 3.854 1.00 0.00 C ATOM 928 C GLN A 60 7.869 6.540 3.188 1.00 0.00 C ATOM 929 O GLN A 60 7.226 7.580 3.305 1.00 0.00 O ATOM 930 CB GLN A 60 8.249 5.002 5.112 1.00 0.00 C ATOM 931 CG GLN A 60 8.097 3.556 5.629 1.00 0.00 C ATOM 932 CD GLN A 60 6.623 3.149 5.689 1.00 0.00 C ATOM 933 OE1 GLN A 60 6.157 2.331 4.785 1.00 0.00 O flip ATOM 934 NE2 GLN A 60 5.884 3.581 6.573 1.00 0.00 N flip ATOM 0 H GLN A 60 8.001 3.325 3.255 1.00 0.00 H new ATOM 0 HA GLN A 60 6.348 5.357 4.148 1.00 0.00 H new ATOM 0 HB2 GLN A 60 9.297 5.198 4.884 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.957 5.701 5.896 1.00 0.00 H new ATOM 0 HG2 GLN A 60 8.641 2.873 4.976 1.00 0.00 H new ATOM 0 HG3 GLN A 60 8.542 3.471 6.620 1.00 0.00 H new ATOM 0 HE21 GLN A 60 6.252 4.220 7.278 1.00 0.00 H new ATOM 0 HE22 GLN A 60 4.904 3.300 6.601 1.00 0.00 H new ATOM 943 N ARG A 61 8.998 6.466 2.487 1.00 0.00 N ATOM 944 CA ARG A 61 9.519 7.654 1.815 1.00 0.00 C ATOM 945 C ARG A 61 8.615 8.033 0.639 1.00 0.00 C ATOM 946 O ARG A 61 8.503 9.206 0.284 1.00 0.00 O ATOM 947 CB ARG A 61 10.963 7.441 1.336 1.00 0.00 C ATOM 948 CG ARG A 61 11.025 6.296 0.330 1.00 0.00 C ATOM 949 CD ARG A 61 12.485 5.929 0.063 1.00 0.00 C ATOM 950 NE ARG A 61 13.013 5.089 1.143 1.00 0.00 N ATOM 951 CZ ARG A 61 14.324 4.845 1.282 1.00 0.00 C ATOM 952 NH1 ARG A 61 15.202 5.352 0.449 1.00 0.00 N ATOM 953 NH2 ARG A 61 14.733 4.089 2.263 1.00 0.00 N ATOM 0 H ARG A 61 9.557 5.621 2.371 1.00 0.00 H new ATOM 0 HA ARG A 61 9.527 8.472 2.535 1.00 0.00 H new ATOM 0 HB2 ARG A 61 11.340 8.356 0.879 1.00 0.00 H new ATOM 0 HB3 ARG A 61 11.607 7.221 2.188 1.00 0.00 H new ATOM 0 HG2 ARG A 61 10.486 5.430 0.715 1.00 0.00 H new ATOM 0 HG3 ARG A 61 10.537 6.588 -0.600 1.00 0.00 H new ATOM 0 HD2 ARG A 61 12.565 5.401 -0.887 1.00 0.00 H new ATOM 0 HD3 ARG A 61 13.083 6.836 -0.025 1.00 0.00 H new ATOM 0 HE ARG A 61 12.361 4.677 1.811 1.00 0.00 H new ATOM 0 HH11 ARG A 61 14.891 5.944 -0.322 1.00 0.00 H new ATOM 0 HH12 ARG A 61 16.195 5.154 0.572 1.00 0.00 H new ATOM 0 HH21 ARG A 61 14.058 3.690 2.915 1.00 0.00 H new ATOM 0 HH22 ARG A 61 15.728 3.897 2.378 1.00 0.00 H new ATOM 967 N HIS A 62 7.944 7.034 0.058 1.00 0.00 N ATOM 968 CA HIS A 62 7.025 7.295 -1.048 1.00 0.00 C ATOM 969 C HIS A 62 5.741 7.928 -0.525 1.00 0.00 C ATOM 970 O HIS A 62 5.236 8.899 -1.084 1.00 0.00 O ATOM 971 CB HIS A 62 6.670 6.001 -1.788 1.00 0.00 C ATOM 972 CG HIS A 62 7.735 5.673 -2.796 1.00 0.00 C ATOM 973 ND1 HIS A 62 9.043 5.394 -2.440 1.00 0.00 N ATOM 974 CD2 HIS A 62 7.695 5.589 -4.167 1.00 0.00 C ATOM 975 CE1 HIS A 62 9.732 5.165 -3.574 1.00 0.00 C ATOM 976 NE2 HIS A 62 8.957 5.267 -4.655 1.00 0.00 N ATOM 0 H HIS A 62 8.019 6.054 0.331 1.00 0.00 H new ATOM 0 HA HIS A 62 7.523 7.975 -1.739 1.00 0.00 H new ATOM 0 HB2 HIS A 62 6.568 5.182 -1.076 1.00 0.00 H new ATOM 0 HB3 HIS A 62 5.707 6.111 -2.287 1.00 0.00 H new ATOM 0 HD1 HIS A 62 9.417 5.367 -1.491 1.00 0.00 H new ATOM 0 HD2 HIS A 62 6.816 5.749 -4.774 1.00 0.00 H new ATOM 0 HE1 HIS A 62 10.785 4.927 -3.605 1.00 0.00 H new ATOM 984 N ARG A 63 5.224 7.366 0.561 1.00 0.00 N ATOM 985 CA ARG A 63 3.997 7.883 1.166 1.00 0.00 C ATOM 986 C ARG A 63 4.285 9.135 1.995 1.00 0.00 C ATOM 987 O ARG A 63 3.387 9.931 2.263 1.00 0.00 O ATOM 988 CB ARG A 63 3.309 6.824 2.040 1.00 0.00 C ATOM 989 CG ARG A 63 4.310 6.183 3.011 1.00 0.00 C ATOM 990 CD ARG A 63 3.856 6.409 4.457 1.00 0.00 C ATOM 991 NE ARG A 63 4.217 7.755 4.911 1.00 0.00 N ATOM 992 CZ ARG A 63 3.747 8.270 6.057 1.00 0.00 C ATOM 993 NH1 ARG A 63 2.944 7.581 6.834 1.00 0.00 N ATOM 994 NH2 ARG A 63 4.097 9.477 6.408 1.00 0.00 N ATOM 0 H ARG A 63 5.628 6.560 1.039 1.00 0.00 H new ATOM 0 HA ARG A 63 3.321 8.145 0.352 1.00 0.00 H new ATOM 0 HB2 ARG A 63 2.494 7.282 2.601 1.00 0.00 H new ATOM 0 HB3 ARG A 63 2.867 6.055 1.407 1.00 0.00 H new ATOM 0 HG2 ARG A 63 4.392 5.115 2.810 1.00 0.00 H new ATOM 0 HG3 ARG A 63 5.301 6.612 2.861 1.00 0.00 H new ATOM 0 HD2 ARG A 63 2.777 6.273 4.530 1.00 0.00 H new ATOM 0 HD3 ARG A 63 4.316 5.665 5.108 1.00 0.00 H new ATOM 0 HE ARG A 63 4.845 8.318 4.338 1.00 0.00 H new ATOM 0 HH11 ARG A 63 2.666 6.636 6.570 1.00 0.00 H new ATOM 0 HH12 ARG A 63 2.598 7.991 7.701 1.00 0.00 H new ATOM 0 HH21 ARG A 63 4.723 10.020 5.813 1.00 0.00 H new ATOM 0 HH22 ARG A 63 3.745 9.878 7.278 1.00 0.00 H new ATOM 1008 N LYS A 64 5.548 9.321 2.379 1.00 0.00 N ATOM 1009 CA LYS A 64 5.923 10.504 3.145 1.00 0.00 C ATOM 1010 C LYS A 64 5.870 11.734 2.239 1.00 0.00 C ATOM 1011 O LYS A 64 5.607 12.848 2.692 1.00 0.00 O ATOM 1012 CB LYS A 64 7.340 10.360 3.711 1.00 0.00 C ATOM 1013 CG LYS A 64 7.269 9.810 5.138 1.00 0.00 C ATOM 1014 CD LYS A 64 8.679 9.727 5.725 1.00 0.00 C ATOM 1015 CE LYS A 64 9.064 11.079 6.331 1.00 0.00 C ATOM 1016 NZ LYS A 64 9.884 10.859 7.555 1.00 0.00 N ATOM 0 H LYS A 64 6.314 8.679 2.176 1.00 0.00 H new ATOM 0 HA LYS A 64 5.223 10.615 3.973 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.928 9.692 3.082 1.00 0.00 H new ATOM 0 HB3 LYS A 64 7.844 11.327 3.708 1.00 0.00 H new ATOM 0 HG2 LYS A 64 6.644 10.454 5.756 1.00 0.00 H new ATOM 0 HG3 LYS A 64 6.806 8.823 5.136 1.00 0.00 H new ATOM 0 HD2 LYS A 64 8.721 8.950 6.488 1.00 0.00 H new ATOM 0 HD3 LYS A 64 9.391 9.449 4.948 1.00 0.00 H new ATOM 0 HE2 LYS A 64 9.625 11.668 5.606 1.00 0.00 H new ATOM 0 HE3 LYS A 64 8.167 11.647 6.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 10.146 11.777 7.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 9.334 10.313 8.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 10.746 10.333 7.306 1.00 0.00 H new ATOM 1030 N MET A 65 6.123 11.513 0.946 1.00 0.00 N ATOM 1031 CA MET A 65 6.103 12.600 -0.027 1.00 0.00 C ATOM 1032 C MET A 65 4.779 12.614 -0.787 1.00 0.00 C ATOM 1033 O MET A 65 4.246 13.672 -1.121 1.00 0.00 O ATOM 1034 CB MET A 65 7.247 12.433 -1.029 1.00 0.00 C ATOM 1035 CG MET A 65 8.586 12.516 -0.292 1.00 0.00 C ATOM 1036 SD MET A 65 9.211 14.216 -0.348 1.00 0.00 S ATOM 1037 CE MET A 65 10.899 13.820 -0.864 1.00 0.00 C ATOM 0 H MET A 65 6.342 10.597 0.554 1.00 0.00 H new ATOM 0 HA MET A 65 6.221 13.539 0.513 1.00 0.00 H new ATOM 0 HB2 MET A 65 7.160 11.474 -1.540 1.00 0.00 H new ATOM 0 HB3 MET A 65 7.192 13.208 -1.793 1.00 0.00 H new ATOM 0 HG2 MET A 65 8.462 12.198 0.743 1.00 0.00 H new ATOM 0 HG3 MET A 65 9.307 11.838 -0.750 1.00 0.00 H new ATOM 0 HE1 MET A 65 11.475 14.740 -0.963 1.00 0.00 H new ATOM 0 HE2 MET A 65 11.366 13.178 -0.117 1.00 0.00 H new ATOM 0 HE3 MET A 65 10.874 13.303 -1.823 1.00 0.00 H new ATOM 1047 N LEU A 66 4.256 11.420 -1.062 1.00 0.00 N ATOM 1048 CA LEU A 66 2.995 11.296 -1.790 1.00 0.00 C ATOM 1049 C LEU A 66 1.862 10.946 -0.828 1.00 0.00 C ATOM 1050 O LEU A 66 2.071 10.826 0.377 1.00 0.00 O ATOM 1051 CB LEU A 66 3.101 10.211 -2.865 1.00 0.00 C ATOM 1052 CG LEU A 66 3.993 10.561 -4.062 1.00 0.00 C ATOM 1053 CD1 LEU A 66 3.445 11.807 -4.759 1.00 0.00 C ATOM 1054 CD2 LEU A 66 5.421 10.838 -3.583 1.00 0.00 C ATOM 0 H LEU A 66 4.682 10.532 -0.794 1.00 0.00 H new ATOM 0 HA LEU A 66 2.782 12.252 -2.268 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.482 9.300 -2.403 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.099 9.987 -3.232 1.00 0.00 H new ATOM 0 HG LEU A 66 4.001 9.723 -4.759 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.079 12.056 -5.610 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.430 11.613 -5.107 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.435 12.641 -4.058 1.00 0.00 H new ATOM 0 HD21 LEU A 66 6.050 11.086 -4.438 1.00 0.00 H new ATOM 0 HD22 LEU A 66 5.414 11.673 -2.883 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.817 9.952 -3.087 1.00 0.00 H new ATOM 1066 N ARG A 67 0.654 10.792 -1.368 1.00 0.00 N ATOM 1067 CA ARG A 67 -0.499 10.463 -0.531 1.00 0.00 C ATOM 1068 C ARG A 67 -1.431 9.487 -1.244 1.00 0.00 C ATOM 1069 O ARG A 67 -1.167 9.060 -2.367 1.00 0.00 O ATOM 1070 CB ARG A 67 -1.282 11.729 -0.173 1.00 0.00 C ATOM 1071 CG ARG A 67 -1.672 12.470 -1.453 1.00 0.00 C ATOM 1072 CD ARG A 67 -2.325 13.805 -1.091 1.00 0.00 C ATOM 1073 NE ARG A 67 -1.352 14.702 -0.461 1.00 0.00 N ATOM 1074 CZ ARG A 67 -0.452 15.394 -1.174 1.00 0.00 C ATOM 1075 NH1 ARG A 67 -0.397 15.296 -2.481 1.00 0.00 N ATOM 1076 NH2 ARG A 67 0.386 16.182 -0.557 1.00 0.00 N ATOM 0 H ARG A 67 0.450 10.888 -2.363 1.00 0.00 H new ATOM 0 HA ARG A 67 -0.122 9.997 0.379 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -2.175 11.468 0.395 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -0.677 12.375 0.463 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -0.790 12.640 -2.070 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -2.361 11.864 -2.041 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -2.731 14.272 -1.988 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -3.162 13.635 -0.414 1.00 0.00 H new ATOM 0 HE ARG A 67 -1.360 14.803 0.554 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -1.047 14.684 -2.974 1.00 0.00 H new ATOM 0 HH12 ARG A 67 0.296 15.832 -3.004 1.00 0.00 H new ATOM 0 HH21 ARG A 67 0.352 16.267 0.459 1.00 0.00 H new ATOM 0 HH22 ARG A 67 1.074 16.713 -1.091 1.00 0.00 H new ATOM 1090 N HIS A 68 -2.526 9.134 -0.568 1.00 0.00 N ATOM 1091 CA HIS A 68 -3.507 8.198 -1.124 1.00 0.00 C ATOM 1092 C HIS A 68 -3.964 8.636 -2.516 1.00 0.00 C ATOM 1093 O HIS A 68 -4.418 9.763 -2.712 1.00 0.00 O ATOM 1094 CB HIS A 68 -4.730 8.104 -0.210 1.00 0.00 C ATOM 1095 CG HIS A 68 -4.379 7.308 1.016 1.00 0.00 C ATOM 1096 ND1 HIS A 68 -4.490 7.831 2.295 1.00 0.00 N ATOM 1097 CD2 HIS A 68 -3.916 6.025 1.176 1.00 0.00 C ATOM 1098 CE1 HIS A 68 -4.103 6.876 3.160 1.00 0.00 C ATOM 1099 NE2 HIS A 68 -3.744 5.755 2.531 1.00 0.00 N ATOM 0 H HIS A 68 -2.756 9.481 0.363 1.00 0.00 H new ATOM 0 HA HIS A 68 -3.023 7.224 -1.199 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -5.062 9.102 0.074 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -5.557 7.631 -0.739 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -3.716 5.331 0.373 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -4.085 7.001 4.233 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -3.414 4.887 2.953 1.00 0.00 H new ATOM 1107 N CYS A 69 -3.834 7.726 -3.476 1.00 0.00 N ATOM 1108 CA CYS A 69 -4.232 8.018 -4.851 1.00 0.00 C ATOM 1109 C CYS A 69 -5.731 8.340 -4.920 1.00 0.00 C ATOM 1110 O CYS A 69 -6.528 7.741 -4.198 1.00 0.00 O ATOM 1111 CB CYS A 69 -3.947 6.821 -5.759 1.00 0.00 C ATOM 1112 SG CYS A 69 -2.203 6.359 -5.630 1.00 0.00 S ATOM 0 H CYS A 69 -3.460 6.788 -3.331 1.00 0.00 H new ATOM 0 HA CYS A 69 -3.655 8.879 -5.188 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -4.578 5.979 -5.475 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -4.192 7.069 -6.792 1.00 0.00 H new ATOM 1117 N PRO A 70 -6.145 9.279 -5.793 1.00 0.00 N ATOM 1118 CA PRO A 70 -7.567 9.640 -5.928 1.00 0.00 C ATOM 1119 C PRO A 70 -8.315 8.695 -6.866 1.00 0.00 C ATOM 1120 O PRO A 70 -7.714 8.040 -7.717 1.00 0.00 O ATOM 1121 CB PRO A 70 -7.491 11.038 -6.528 1.00 0.00 C ATOM 1122 CG PRO A 70 -6.147 11.148 -7.239 1.00 0.00 C ATOM 1123 CD PRO A 70 -5.242 10.040 -6.689 1.00 0.00 C ATOM 0 HA PRO A 70 -8.108 9.584 -4.984 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -8.311 11.202 -7.227 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -7.578 11.796 -5.750 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -6.273 11.040 -8.316 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -5.701 12.128 -7.067 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -4.843 9.413 -7.486 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -4.388 10.449 -6.148 1.00 0.00 H new ATOM 1131 N SER A 71 -9.634 8.631 -6.702 1.00 0.00 N ATOM 1132 CA SER A 71 -10.454 7.761 -7.543 1.00 0.00 C ATOM 1133 C SER A 71 -11.928 7.884 -7.167 1.00 0.00 C ATOM 1134 O SER A 71 -12.282 8.523 -6.177 1.00 0.00 O ATOM 1135 CB SER A 71 -10.019 6.301 -7.393 1.00 0.00 C ATOM 1136 OG SER A 71 -10.096 5.656 -8.657 1.00 0.00 O ATOM 0 H SER A 71 -10.153 9.163 -6.004 1.00 0.00 H new ATOM 0 HA SER A 71 -10.318 8.074 -8.578 1.00 0.00 H new ATOM 0 HB2 SER A 71 -9.001 6.251 -7.008 1.00 0.00 H new ATOM 0 HB3 SER A 71 -10.658 5.791 -6.672 1.00 0.00 H new ATOM 0 HG SER A 71 -9.816 4.721 -8.565 1.00 0.00 H new ATOM 1142 N LYS A 72 -12.782 7.257 -7.972 1.00 0.00 N ATOM 1143 CA LYS A 72 -14.220 7.291 -7.723 1.00 0.00 C ATOM 1144 C LYS A 72 -14.875 6.013 -8.237 1.00 0.00 C ATOM 1145 O LYS A 72 -14.588 5.553 -9.343 1.00 0.00 O ATOM 1146 CB LYS A 72 -14.857 8.494 -8.422 1.00 0.00 C ATOM 1147 CG LYS A 72 -14.655 9.748 -7.568 1.00 0.00 C ATOM 1148 CD LYS A 72 -15.847 10.688 -7.750 1.00 0.00 C ATOM 1149 CE LYS A 72 -15.612 11.582 -8.969 1.00 0.00 C ATOM 1150 NZ LYS A 72 -16.551 12.739 -8.925 1.00 0.00 N ATOM 0 H LYS A 72 -12.506 6.723 -8.796 1.00 0.00 H new ATOM 0 HA LYS A 72 -14.375 7.375 -6.647 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -14.409 8.635 -9.406 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -15.921 8.315 -8.579 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -14.552 9.473 -6.518 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -13.733 10.253 -7.857 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -16.762 10.111 -7.881 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -15.981 11.300 -6.858 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -14.581 11.937 -8.980 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -15.763 11.012 -9.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -16.392 13.347 -9.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -17.531 12.391 -8.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -16.386 13.287 -8.057 1.00 0.00 H new ATOM 1164 N ARG A 73 -15.760 5.443 -7.420 1.00 0.00 N ATOM 1165 CA ARG A 73 -16.455 4.214 -7.796 1.00 0.00 C ATOM 1166 C ARG A 73 -15.450 3.086 -8.036 1.00 0.00 C ATOM 1167 O ARG A 73 -14.267 3.335 -8.267 1.00 0.00 O ATOM 1168 CB ARG A 73 -17.279 4.445 -9.065 1.00 0.00 C ATOM 1169 CG ARG A 73 -18.091 3.189 -9.404 1.00 0.00 C ATOM 1170 CD ARG A 73 -19.057 3.498 -10.548 1.00 0.00 C ATOM 1171 NE ARG A 73 -18.417 3.255 -11.843 1.00 0.00 N ATOM 1172 CZ ARG A 73 -18.958 3.675 -12.996 1.00 0.00 C ATOM 1173 NH1 ARG A 73 -20.095 4.328 -13.016 1.00 0.00 N ATOM 1174 NH2 ARG A 73 -18.342 3.429 -14.120 1.00 0.00 N ATOM 0 H ARG A 73 -16.011 5.809 -6.502 1.00 0.00 H new ATOM 0 HA ARG A 73 -17.120 3.929 -6.981 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -17.949 5.293 -8.923 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -16.619 4.696 -9.896 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -17.422 2.377 -9.688 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -18.645 2.854 -8.527 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -19.949 2.879 -10.455 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -19.382 4.537 -10.486 1.00 0.00 H new ATOM 0 HE ARG A 73 -17.531 2.750 -11.869 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -20.585 4.525 -12.144 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -20.489 4.639 -13.904 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -17.457 2.921 -14.116 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -18.745 3.744 -15.002 1.00 0.00 H new ATOM 1188 N LYS A 74 -15.944 1.843 -7.970 1.00 0.00 N ATOM 1189 CA LYS A 74 -15.108 0.646 -8.175 1.00 0.00 C ATOM 1190 C LYS A 74 -13.744 0.774 -7.491 1.00 0.00 C ATOM 1191 O LYS A 74 -12.840 0.051 -7.875 1.00 0.00 O ATOM 1192 CB LYS A 74 -14.899 0.377 -9.672 1.00 0.00 C ATOM 1193 CG LYS A 74 -14.214 1.575 -10.333 1.00 0.00 C ATOM 1194 CD LYS A 74 -13.723 1.180 -11.727 1.00 0.00 C ATOM 1195 CE LYS A 74 -12.411 1.904 -12.033 1.00 0.00 C ATOM 1196 NZ LYS A 74 -11.984 1.593 -13.427 1.00 0.00 N ATOM 1197 OXT LYS A 74 -13.628 1.593 -6.594 1.00 0.00 O ATOM 0 H LYS A 74 -16.924 1.636 -7.775 1.00 0.00 H new ATOM 0 HA LYS A 74 -15.642 -0.190 -7.723 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -14.292 -0.518 -9.807 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -15.859 0.187 -10.152 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -14.910 2.411 -10.405 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -13.376 1.910 -9.722 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -13.576 0.101 -11.780 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -14.474 1.436 -12.474 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -12.540 2.980 -11.913 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -11.640 1.595 -11.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -11.092 2.085 -13.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -11.845 0.567 -13.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -12.717 1.909 -14.093 1.00 0.00 H new TER 1211 LYS A 74