USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 642 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 99:sc= -3.02 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 HIS : no HD1:sc= -3.13 X(o=-3.1,f=-3.1!) USER MOD Single : A 25 LYS NZ :NH3+ -138:sc= 0 (180deg=-0.105) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= -2.84! K(o=-2.8!,f=-1.7) USER MOD Single : A 34 SER OG : rot 180:sc= 0.0424 USER MOD Single : A 38 THR OG1 : rot 180:sc= -5.24! USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -129:sc= -0.118 (180deg=-2.88!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -1.26 K(o=-1.3,f=-3.7!) USER MOD Single : A 50 SER OG : rot 180:sc= -0.0965 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -147:sc= 0 (180deg=-0.0456) USER MOD Single : A 55 GLN : amide:sc= -0.697 X(o=-0.7,f=-0.38) USER MOD Single : A 57 TYR OH : rot -145:sc= 1.23 USER MOD Single : A 59 GLN : amide:sc= 0.869 K(o=0.87,f=-0.41) USER MOD Single : A 60 LYS NZ :NH3+ 157:sc= 0 (180deg=-0.329) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 13:sc=-0.000133 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot -31:sc= -1.63 USER MOD Single : A 78 LYS NZ :NH3+ -109:sc= -0.0947 (180deg=-0.387) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.192 26.216 -1.466 1.00 0.00 N ATOM 2 CA MET A 1 -4.209 24.829 -2.014 1.00 0.00 C ATOM 3 C MET A 1 -3.344 23.907 -1.149 1.00 0.00 C ATOM 4 O MET A 1 -2.145 24.082 -1.050 1.00 0.00 O ATOM 5 CB MET A 1 -3.620 24.953 -3.420 1.00 0.00 C ATOM 6 CG MET A 1 -4.702 25.440 -4.385 1.00 0.00 C ATOM 7 SD MET A 1 -4.144 25.196 -6.090 1.00 0.00 S ATOM 8 CE MET A 1 -3.251 26.760 -6.263 1.00 0.00 C ATOM 0 H1 MET A 1 -4.782 26.832 -2.061 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.566 26.211 -0.496 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.216 26.574 -1.458 1.00 0.00 H new ATOM 0 HA MET A 1 -5.212 24.402 -2.027 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.782 25.650 -3.415 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.231 23.989 -3.749 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.630 24.895 -4.213 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.915 26.494 -4.208 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.816 26.822 -7.261 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.941 27.591 -6.115 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.457 26.810 -5.518 1.00 0.00 H new ATOM 20 N LYS A 2 -3.949 22.929 -0.524 1.00 0.00 N ATOM 21 CA LYS A 2 -3.171 21.989 0.337 1.00 0.00 C ATOM 22 C LYS A 2 -2.804 20.729 -0.452 1.00 0.00 C ATOM 23 O LYS A 2 -3.391 20.435 -1.476 1.00 0.00 O ATOM 24 CB LYS A 2 -4.111 21.643 1.493 1.00 0.00 C ATOM 25 CG LYS A 2 -4.239 22.850 2.425 1.00 0.00 C ATOM 26 CD LYS A 2 -5.380 22.612 3.416 1.00 0.00 C ATOM 27 CE LYS A 2 -5.649 23.897 4.202 1.00 0.00 C ATOM 28 NZ LYS A 2 -6.702 23.529 5.189 1.00 0.00 N ATOM 0 H LYS A 2 -4.950 22.741 -0.573 1.00 0.00 H new ATOM 0 HA LYS A 2 -2.236 22.427 0.688 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -5.091 21.362 1.107 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -3.727 20.784 2.043 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -3.304 23.009 2.962 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -4.430 23.752 1.844 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -6.280 22.303 2.884 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -5.120 21.803 4.099 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -4.747 24.251 4.700 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -5.986 24.699 3.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -6.941 24.360 5.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -7.551 23.202 4.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -6.350 22.768 5.805 1.00 0.00 H new ATOM 42 N LYS A 3 -1.832 19.983 0.018 1.00 0.00 N ATOM 43 CA LYS A 3 -1.407 18.731 -0.696 1.00 0.00 C ATOM 44 C LYS A 3 -1.095 19.027 -2.170 1.00 0.00 C ATOM 45 O LYS A 3 -1.723 18.494 -3.066 1.00 0.00 O ATOM 46 CB LYS A 3 -2.596 17.772 -0.576 1.00 0.00 C ATOM 47 CG LYS A 3 -2.091 16.327 -0.597 1.00 0.00 C ATOM 48 CD LYS A 3 -3.282 15.368 -0.546 1.00 0.00 C ATOM 49 CE LYS A 3 -3.962 15.326 -1.917 1.00 0.00 C ATOM 50 NZ LYS A 3 -4.743 14.057 -1.917 1.00 0.00 N ATOM 0 H LYS A 3 -1.310 20.187 0.870 1.00 0.00 H new ATOM 0 HA LYS A 3 -0.500 18.307 -0.265 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -3.140 17.965 0.348 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -3.294 17.937 -1.397 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -1.505 16.149 -1.499 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -1.431 16.149 0.252 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -2.947 14.370 -0.263 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -3.992 15.693 0.214 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -4.611 16.190 -2.063 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -3.228 15.339 -2.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -5.239 13.955 -2.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -4.098 13.252 -1.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -5.438 14.077 -1.143 1.00 0.00 H new ATOM 64 N ASP A 4 -0.123 19.869 -2.422 1.00 0.00 N ATOM 65 CA ASP A 4 0.251 20.209 -3.835 1.00 0.00 C ATOM 66 C ASP A 4 1.459 21.165 -3.862 1.00 0.00 C ATOM 67 O ASP A 4 2.481 20.836 -4.431 1.00 0.00 O ATOM 68 CB ASP A 4 -0.988 20.868 -4.466 1.00 0.00 C ATOM 69 CG ASP A 4 -1.667 19.890 -5.427 1.00 0.00 C ATOM 70 OD1 ASP A 4 -1.059 19.560 -6.433 1.00 0.00 O ATOM 71 OD2 ASP A 4 -2.782 19.487 -5.142 1.00 0.00 O ATOM 0 H ASP A 4 0.432 20.339 -1.707 1.00 0.00 H new ATOM 0 HA ASP A 4 0.544 19.319 -4.392 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -1.687 21.169 -3.686 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -0.697 21.773 -5.000 1.00 0.00 H new ATOM 76 N PRO A 5 1.312 22.318 -3.250 1.00 0.00 N ATOM 77 CA PRO A 5 2.420 23.304 -3.224 1.00 0.00 C ATOM 78 C PRO A 5 3.530 22.836 -2.281 1.00 0.00 C ATOM 79 O PRO A 5 3.489 23.070 -1.089 1.00 0.00 O ATOM 80 CB PRO A 5 1.760 24.577 -2.699 1.00 0.00 C ATOM 81 CG PRO A 5 0.577 24.105 -1.918 1.00 0.00 C ATOM 82 CD PRO A 5 0.127 22.810 -2.541 1.00 0.00 C ATOM 0 HA PRO A 5 2.889 23.445 -4.198 1.00 0.00 H new ATOM 0 HB2 PRO A 5 2.445 25.147 -2.072 1.00 0.00 H new ATOM 0 HB3 PRO A 5 1.458 25.231 -3.517 1.00 0.00 H new ATOM 0 HG2 PRO A 5 0.840 23.958 -0.870 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -0.223 24.845 -1.945 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -0.207 22.100 -1.785 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -0.709 22.966 -3.223 1.00 0.00 H new ATOM 90 N ASN A 6 4.528 22.175 -2.814 1.00 0.00 N ATOM 91 CA ASN A 6 5.667 21.678 -1.975 1.00 0.00 C ATOM 92 C ASN A 6 5.155 20.852 -0.787 1.00 0.00 C ATOM 93 O ASN A 6 5.765 20.822 0.266 1.00 0.00 O ATOM 94 CB ASN A 6 6.388 22.937 -1.486 1.00 0.00 C ATOM 95 CG ASN A 6 7.537 23.271 -2.440 1.00 0.00 C ATOM 96 OD1 ASN A 6 8.643 22.799 -2.268 1.00 0.00 O ATOM 97 ND2 ASN A 6 7.319 24.072 -3.447 1.00 0.00 N ATOM 0 H ASN A 6 4.604 21.955 -3.807 1.00 0.00 H new ATOM 0 HA ASN A 6 6.329 21.024 -2.543 1.00 0.00 H new ATOM 0 HB2 ASN A 6 5.689 23.772 -1.435 1.00 0.00 H new ATOM 0 HB3 ASN A 6 6.772 22.781 -0.478 1.00 0.00 H new ATOM 0 HD21 ASN A 6 8.077 24.302 -4.089 1.00 0.00 H new ATOM 0 HD22 ASN A 6 6.390 24.468 -3.592 1.00 0.00 H new ATOM 104 N ALA A 7 4.046 20.180 -0.955 1.00 0.00 N ATOM 105 CA ALA A 7 3.489 19.348 0.154 1.00 0.00 C ATOM 106 C ALA A 7 3.803 17.865 -0.091 1.00 0.00 C ATOM 107 O ALA A 7 4.158 17.490 -1.192 1.00 0.00 O ATOM 108 CB ALA A 7 1.979 19.589 0.113 1.00 0.00 C ATOM 0 H ALA A 7 3.499 20.171 -1.816 1.00 0.00 H new ATOM 0 HA ALA A 7 3.916 19.610 1.122 1.00 0.00 H new ATOM 0 HB1 ALA A 7 1.497 19.010 0.901 1.00 0.00 H new ATOM 0 HB2 ALA A 7 1.775 20.649 0.265 1.00 0.00 H new ATOM 0 HB3 ALA A 7 1.587 19.280 -0.856 1.00 0.00 H new ATOM 114 N PRO A 8 3.656 17.059 0.938 1.00 0.00 N ATOM 115 CA PRO A 8 3.923 15.617 0.801 1.00 0.00 C ATOM 116 C PRO A 8 2.773 14.908 0.082 1.00 0.00 C ATOM 117 O PRO A 8 1.615 15.207 0.296 1.00 0.00 O ATOM 118 CB PRO A 8 4.102 15.129 2.220 1.00 0.00 C ATOM 119 CG PRO A 8 3.424 16.126 3.082 1.00 0.00 C ATOM 120 CD PRO A 8 3.232 17.401 2.295 1.00 0.00 C ATOM 0 HA PRO A 8 4.803 15.409 0.193 1.00 0.00 H new ATOM 0 HB2 PRO A 8 3.665 14.139 2.350 1.00 0.00 H new ATOM 0 HB3 PRO A 8 5.159 15.047 2.474 1.00 0.00 H new ATOM 0 HG2 PRO A 8 2.461 15.741 3.418 1.00 0.00 H new ATOM 0 HG3 PRO A 8 4.019 16.320 3.975 1.00 0.00 H new ATOM 0 HD2 PRO A 8 2.192 17.728 2.316 1.00 0.00 H new ATOM 0 HD3 PRO A 8 3.830 18.215 2.705 1.00 0.00 H new ATOM 128 N LYS A 9 3.095 13.984 -0.787 1.00 0.00 N ATOM 129 CA LYS A 9 2.034 13.257 -1.554 1.00 0.00 C ATOM 130 C LYS A 9 1.183 12.384 -0.628 1.00 0.00 C ATOM 131 O LYS A 9 1.481 12.219 0.540 1.00 0.00 O ATOM 132 CB LYS A 9 2.792 12.383 -2.558 1.00 0.00 C ATOM 133 CG LYS A 9 3.377 13.260 -3.677 1.00 0.00 C ATOM 134 CD LYS A 9 4.891 13.044 -3.769 1.00 0.00 C ATOM 135 CE LYS A 9 5.175 11.619 -4.251 1.00 0.00 C ATOM 136 NZ LYS A 9 6.594 11.364 -3.876 1.00 0.00 N ATOM 0 H LYS A 9 4.051 13.699 -1.000 1.00 0.00 H new ATOM 0 HA LYS A 9 1.349 13.950 -2.042 1.00 0.00 H new ATOM 0 HB2 LYS A 9 3.592 11.842 -2.052 1.00 0.00 H new ATOM 0 HB3 LYS A 9 2.121 11.636 -2.982 1.00 0.00 H new ATOM 0 HG2 LYS A 9 2.907 13.013 -4.629 1.00 0.00 H new ATOM 0 HG3 LYS A 9 3.162 14.310 -3.479 1.00 0.00 H new ATOM 0 HD2 LYS A 9 5.331 13.766 -4.457 1.00 0.00 H new ATOM 0 HD3 LYS A 9 5.352 13.209 -2.795 1.00 0.00 H new ATOM 0 HE2 LYS A 9 4.506 10.901 -3.777 1.00 0.00 H new ATOM 0 HE3 LYS A 9 5.028 11.529 -5.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 6.865 10.405 -4.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 7.208 12.059 -4.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 6.701 11.450 -2.845 1.00 0.00 H new ATOM 150 N ARG A 10 0.121 11.826 -1.155 1.00 0.00 N ATOM 151 CA ARG A 10 -0.770 10.955 -0.328 1.00 0.00 C ATOM 152 C ARG A 10 0.030 9.773 0.252 1.00 0.00 C ATOM 153 O ARG A 10 0.940 9.282 -0.385 1.00 0.00 O ATOM 154 CB ARG A 10 -1.862 10.459 -1.287 1.00 0.00 C ATOM 155 CG ARG A 10 -1.237 9.654 -2.432 1.00 0.00 C ATOM 156 CD ARG A 10 -2.337 9.180 -3.383 1.00 0.00 C ATOM 157 NE ARG A 10 -1.694 9.133 -4.725 1.00 0.00 N ATOM 158 CZ ARG A 10 -2.071 9.962 -5.659 1.00 0.00 C ATOM 159 NH1 ARG A 10 -1.990 11.250 -5.459 1.00 0.00 N ATOM 160 NH2 ARG A 10 -2.527 9.506 -6.793 1.00 0.00 N ATOM 0 H ARG A 10 -0.168 11.937 -2.127 1.00 0.00 H new ATOM 0 HA ARG A 10 -1.197 11.492 0.519 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.577 9.840 -0.746 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.415 11.308 -1.689 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -0.516 10.268 -2.971 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -0.692 8.798 -2.034 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -2.715 8.200 -3.092 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.186 9.864 -3.376 1.00 0.00 H new ATOM 0 HE ARG A 10 -0.958 8.452 -4.914 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -1.632 11.607 -4.573 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -2.285 11.899 -6.189 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -2.589 8.500 -6.950 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -2.821 10.155 -7.522 1.00 0.00 H new ATOM 174 N PRO A 11 -0.326 9.354 1.449 1.00 0.00 N ATOM 175 CA PRO A 11 0.392 8.228 2.088 1.00 0.00 C ATOM 176 C PRO A 11 -0.120 6.883 1.540 1.00 0.00 C ATOM 177 O PRO A 11 -1.315 6.665 1.494 1.00 0.00 O ATOM 178 CB PRO A 11 0.041 8.372 3.564 1.00 0.00 C ATOM 179 CG PRO A 11 -1.267 9.102 3.598 1.00 0.00 C ATOM 180 CD PRO A 11 -1.404 9.871 2.307 1.00 0.00 C ATOM 0 HA PRO A 11 1.466 8.247 1.902 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -0.042 7.397 4.044 1.00 0.00 H new ATOM 0 HB3 PRO A 11 0.813 8.926 4.098 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -2.093 8.400 3.713 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -1.304 9.779 4.451 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.382 9.712 1.853 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -1.299 10.943 2.472 1.00 0.00 H new ATOM 188 N PRO A 12 0.789 6.012 1.149 1.00 0.00 N ATOM 189 CA PRO A 12 0.374 4.690 0.619 1.00 0.00 C ATOM 190 C PRO A 12 -0.149 3.816 1.762 1.00 0.00 C ATOM 191 O PRO A 12 -0.353 4.291 2.865 1.00 0.00 O ATOM 192 CB PRO A 12 1.658 4.111 0.033 1.00 0.00 C ATOM 193 CG PRO A 12 2.763 4.795 0.773 1.00 0.00 C ATOM 194 CD PRO A 12 2.256 6.160 1.157 1.00 0.00 C ATOM 0 HA PRO A 12 -0.426 4.751 -0.119 1.00 0.00 H new ATOM 0 HB2 PRO A 12 1.702 3.030 0.169 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.724 4.301 -1.038 1.00 0.00 H new ATOM 0 HG2 PRO A 12 3.045 4.225 1.658 1.00 0.00 H new ATOM 0 HG3 PRO A 12 3.653 4.876 0.149 1.00 0.00 H new ATOM 0 HD2 PRO A 12 2.621 6.460 2.139 1.00 0.00 H new ATOM 0 HD3 PRO A 12 2.584 6.921 0.449 1.00 0.00 H new ATOM 202 N SER A 13 -0.370 2.550 1.513 1.00 0.00 N ATOM 203 CA SER A 13 -0.884 1.657 2.594 1.00 0.00 C ATOM 204 C SER A 13 -0.690 0.187 2.228 1.00 0.00 C ATOM 205 O SER A 13 -1.562 -0.628 2.454 1.00 0.00 O ATOM 206 CB SER A 13 -2.370 1.988 2.707 1.00 0.00 C ATOM 207 OG SER A 13 -3.009 1.717 1.467 1.00 0.00 O ATOM 0 H SER A 13 -0.217 2.098 0.611 1.00 0.00 H new ATOM 0 HA SER A 13 -0.354 1.813 3.533 1.00 0.00 H new ATOM 0 HB2 SER A 13 -2.826 1.397 3.501 1.00 0.00 H new ATOM 0 HB3 SER A 13 -2.501 3.036 2.975 1.00 0.00 H new ATOM 0 HG SER A 13 -3.964 1.927 1.538 1.00 0.00 H new ATOM 213 N ALA A 14 0.437 -0.157 1.639 1.00 0.00 N ATOM 214 CA ALA A 14 0.706 -1.578 1.221 1.00 0.00 C ATOM 215 C ALA A 14 -0.160 -1.934 0.016 1.00 0.00 C ATOM 216 O ALA A 14 0.338 -2.078 -1.085 1.00 0.00 O ATOM 217 CB ALA A 14 0.387 -2.489 2.419 1.00 0.00 C ATOM 0 H ALA A 14 1.192 0.495 1.427 1.00 0.00 H new ATOM 0 HA ALA A 14 1.748 -1.708 0.929 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.573 -3.528 2.146 1.00 0.00 H new ATOM 0 HB2 ALA A 14 1.021 -2.217 3.262 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.660 -2.369 2.699 1.00 0.00 H new ATOM 223 N PHE A 15 -1.446 -2.084 0.206 1.00 0.00 N ATOM 224 CA PHE A 15 -2.336 -2.441 -0.945 1.00 0.00 C ATOM 225 C PHE A 15 -2.236 -1.387 -2.057 1.00 0.00 C ATOM 226 O PHE A 15 -2.519 -1.669 -3.207 1.00 0.00 O ATOM 227 CB PHE A 15 -3.756 -2.482 -0.367 1.00 0.00 C ATOM 228 CG PHE A 15 -4.739 -2.873 -1.451 1.00 0.00 C ATOM 229 CD1 PHE A 15 -4.514 -4.020 -2.221 1.00 0.00 C ATOM 230 CD2 PHE A 15 -5.869 -2.081 -1.690 1.00 0.00 C ATOM 231 CE1 PHE A 15 -5.418 -4.376 -3.229 1.00 0.00 C ATOM 232 CE2 PHE A 15 -6.774 -2.438 -2.697 1.00 0.00 C ATOM 233 CZ PHE A 15 -6.547 -3.585 -3.467 1.00 0.00 C ATOM 0 H PHE A 15 -1.919 -1.976 1.103 1.00 0.00 H new ATOM 0 HA PHE A 15 -2.053 -3.394 -1.392 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -3.804 -3.196 0.455 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -4.020 -1.507 0.042 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -3.642 -4.631 -2.037 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -6.042 -1.195 -1.098 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -5.244 -5.261 -3.823 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -7.647 -1.829 -2.880 1.00 0.00 H new ATOM 0 HZ PHE A 15 -7.244 -3.859 -4.245 1.00 0.00 H new ATOM 243 N PHE A 16 -1.845 -0.181 -1.726 1.00 0.00 N ATOM 244 CA PHE A 16 -1.736 0.882 -2.771 1.00 0.00 C ATOM 245 C PHE A 16 -0.468 0.689 -3.599 1.00 0.00 C ATOM 246 O PHE A 16 -0.448 0.989 -4.778 1.00 0.00 O ATOM 247 CB PHE A 16 -1.690 2.204 -2.005 1.00 0.00 C ATOM 248 CG PHE A 16 -1.984 3.343 -2.953 1.00 0.00 C ATOM 249 CD1 PHE A 16 -3.297 3.591 -3.365 1.00 0.00 C ATOM 250 CD2 PHE A 16 -0.939 4.151 -3.420 1.00 0.00 C ATOM 251 CE1 PHE A 16 -3.569 4.647 -4.243 1.00 0.00 C ATOM 252 CE2 PHE A 16 -1.210 5.206 -4.299 1.00 0.00 C ATOM 253 CZ PHE A 16 -2.524 5.454 -4.711 1.00 0.00 C ATOM 0 H PHE A 16 -1.598 0.112 -0.781 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.572 0.853 -3.469 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -2.419 2.193 -1.195 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -0.709 2.339 -1.549 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -4.102 2.967 -3.006 1.00 0.00 H new ATOM 0 HD2 PHE A 16 0.075 3.960 -3.102 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -4.584 4.839 -4.559 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -0.405 5.829 -4.659 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.733 6.268 -5.390 1.00 0.00 H new ATOM 263 N LEU A 17 0.580 0.155 -3.013 1.00 0.00 N ATOM 264 CA LEU A 17 1.826 -0.089 -3.805 1.00 0.00 C ATOM 265 C LEU A 17 1.486 -1.122 -4.881 1.00 0.00 C ATOM 266 O LEU A 17 1.332 -0.781 -6.037 1.00 0.00 O ATOM 267 CB LEU A 17 2.851 -0.630 -2.809 1.00 0.00 C ATOM 268 CG LEU A 17 3.443 0.529 -2.007 1.00 0.00 C ATOM 269 CD1 LEU A 17 2.465 0.939 -0.903 1.00 0.00 C ATOM 270 CD2 LEU A 17 4.762 0.088 -1.374 1.00 0.00 C ATOM 0 H LEU A 17 0.625 -0.119 -2.032 1.00 0.00 H new ATOM 0 HA LEU A 17 2.221 0.801 -4.296 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.378 -1.347 -2.138 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.642 -1.162 -3.338 1.00 0.00 H new ATOM 0 HG LEU A 17 3.620 1.375 -2.671 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.887 1.765 -0.331 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.522 1.252 -1.350 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.289 0.092 -0.240 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.185 0.914 -0.802 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.582 -0.758 -0.711 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.461 -0.206 -2.157 1.00 0.00 H new ATOM 282 N PHE A 18 1.359 -2.379 -4.487 1.00 0.00 N ATOM 283 CA PHE A 18 1.000 -3.487 -5.450 1.00 0.00 C ATOM 284 C PHE A 18 -0.014 -2.973 -6.494 1.00 0.00 C ATOM 285 O PHE A 18 0.216 -3.047 -7.685 1.00 0.00 O ATOM 286 CB PHE A 18 0.383 -4.578 -4.561 1.00 0.00 C ATOM 287 CG PHE A 18 -0.175 -5.705 -5.402 1.00 0.00 C ATOM 288 CD1 PHE A 18 0.641 -6.785 -5.763 1.00 0.00 C ATOM 289 CD2 PHE A 18 -1.512 -5.671 -5.814 1.00 0.00 C ATOM 290 CE1 PHE A 18 0.117 -7.831 -6.535 1.00 0.00 C ATOM 291 CE2 PHE A 18 -2.035 -6.715 -6.586 1.00 0.00 C ATOM 292 CZ PHE A 18 -1.222 -7.795 -6.947 1.00 0.00 C ATOM 0 H PHE A 18 1.491 -2.688 -3.524 1.00 0.00 H new ATOM 0 HA PHE A 18 1.856 -3.859 -6.013 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.138 -4.967 -3.878 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -0.410 -4.149 -3.948 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.673 -6.812 -5.447 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.141 -4.838 -5.536 1.00 0.00 H new ATOM 0 HE1 PHE A 18 0.745 -8.665 -6.812 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -3.067 -6.687 -6.903 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.626 -8.600 -7.543 1.00 0.00 H new ATOM 302 N CYS A 19 -1.122 -2.435 -6.046 1.00 0.00 N ATOM 303 CA CYS A 19 -2.139 -1.890 -7.000 1.00 0.00 C ATOM 304 C CYS A 19 -1.492 -0.836 -7.912 1.00 0.00 C ATOM 305 O CYS A 19 -1.574 -0.903 -9.123 1.00 0.00 O ATOM 306 CB CYS A 19 -3.194 -1.229 -6.106 1.00 0.00 C ATOM 307 SG CYS A 19 -4.375 -2.470 -5.529 1.00 0.00 S ATOM 0 H CYS A 19 -1.367 -2.349 -5.059 1.00 0.00 H new ATOM 0 HA CYS A 19 -2.561 -2.662 -7.643 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -2.712 -0.749 -5.254 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -3.715 -0.448 -6.660 1.00 0.00 H new ATOM 0 HG CYS A 19 -4.064 -2.836 -4.321 1.00 0.00 H new ATOM 313 N SER A 20 -0.864 0.144 -7.316 1.00 0.00 N ATOM 314 CA SER A 20 -0.213 1.235 -8.109 1.00 0.00 C ATOM 315 C SER A 20 0.777 0.672 -9.138 1.00 0.00 C ATOM 316 O SER A 20 0.961 1.247 -10.196 1.00 0.00 O ATOM 317 CB SER A 20 0.529 2.088 -7.080 1.00 0.00 C ATOM 318 OG SER A 20 1.281 3.088 -7.754 1.00 0.00 O ATOM 0 H SER A 20 -0.772 0.238 -6.304 1.00 0.00 H new ATOM 0 HA SER A 20 -0.951 1.805 -8.674 1.00 0.00 H new ATOM 0 HB2 SER A 20 -0.181 2.551 -6.394 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.190 1.462 -6.480 1.00 0.00 H new ATOM 0 HG SER A 20 1.757 3.638 -7.097 1.00 0.00 H new ATOM 324 N GLU A 21 1.425 -0.430 -8.842 1.00 0.00 N ATOM 325 CA GLU A 21 2.410 -0.995 -9.817 1.00 0.00 C ATOM 326 C GLU A 21 1.736 -1.981 -10.780 1.00 0.00 C ATOM 327 O GLU A 21 2.199 -2.176 -11.889 1.00 0.00 O ATOM 328 CB GLU A 21 3.487 -1.688 -8.972 1.00 0.00 C ATOM 329 CG GLU A 21 2.879 -2.832 -8.158 1.00 0.00 C ATOM 330 CD GLU A 21 3.988 -3.795 -7.728 1.00 0.00 C ATOM 331 OE1 GLU A 21 5.087 -3.328 -7.472 1.00 0.00 O ATOM 332 OE2 GLU A 21 3.720 -4.983 -7.658 1.00 0.00 O ATOM 0 H GLU A 21 1.316 -0.958 -7.976 1.00 0.00 H new ATOM 0 HA GLU A 21 2.841 -0.214 -10.443 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.273 -2.074 -9.621 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.952 -0.965 -8.302 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.365 -2.437 -7.282 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.134 -3.360 -8.753 1.00 0.00 H new ATOM 339 N HIS A 22 0.651 -2.599 -10.379 1.00 0.00 N ATOM 340 CA HIS A 22 -0.041 -3.564 -11.289 1.00 0.00 C ATOM 341 C HIS A 22 -1.290 -2.924 -11.907 1.00 0.00 C ATOM 342 O HIS A 22 -2.181 -3.612 -12.369 1.00 0.00 O ATOM 343 CB HIS A 22 -0.441 -4.737 -10.395 1.00 0.00 C ATOM 344 CG HIS A 22 0.766 -5.579 -10.094 1.00 0.00 C ATOM 345 ND1 HIS A 22 1.440 -6.286 -11.077 1.00 0.00 N ATOM 346 CD2 HIS A 22 1.429 -5.840 -8.923 1.00 0.00 C ATOM 347 CE1 HIS A 22 2.459 -6.934 -10.484 1.00 0.00 C ATOM 348 NE2 HIS A 22 2.497 -6.697 -9.169 1.00 0.00 N ATOM 0 H HIS A 22 0.216 -2.477 -9.464 1.00 0.00 H new ATOM 0 HA HIS A 22 0.600 -3.872 -12.115 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -0.879 -4.367 -9.468 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -1.203 -5.340 -10.889 1.00 0.00 H new ATOM 0 HD2 HIS A 22 1.163 -5.441 -7.956 1.00 0.00 H new ATOM 0 HE1 HIS A 22 3.160 -7.568 -11.006 1.00 0.00 H new ATOM 0 HE2 HIS A 22 3.165 -7.065 -8.492 1.00 0.00 H new ATOM 356 N ARG A 23 -1.363 -1.615 -11.918 1.00 0.00 N ATOM 357 CA ARG A 23 -2.554 -0.933 -12.506 1.00 0.00 C ATOM 358 C ARG A 23 -2.415 -0.774 -14.036 1.00 0.00 C ATOM 359 O ARG A 23 -3.367 -1.031 -14.748 1.00 0.00 O ATOM 360 CB ARG A 23 -2.629 0.425 -11.799 1.00 0.00 C ATOM 361 CG ARG A 23 -3.841 1.207 -12.313 1.00 0.00 C ATOM 362 CD ARG A 23 -4.165 2.343 -11.341 1.00 0.00 C ATOM 363 NE ARG A 23 -3.149 3.394 -11.625 1.00 0.00 N ATOM 364 CZ ARG A 23 -3.451 4.403 -12.395 1.00 0.00 C ATOM 365 NH1 ARG A 23 -3.367 4.282 -13.691 1.00 0.00 N ATOM 366 NH2 ARG A 23 -3.838 5.532 -11.868 1.00 0.00 N ATOM 0 H ARG A 23 -0.648 -0.991 -11.545 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.466 -1.512 -12.359 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.707 0.281 -10.721 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.715 0.991 -11.980 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -3.633 1.610 -13.304 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -4.700 0.543 -12.413 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -5.176 2.719 -11.496 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -4.106 2.006 -10.306 1.00 0.00 H new ATOM 0 HE ARG A 23 -2.217 3.325 -11.217 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -3.065 3.399 -14.102 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -3.603 5.071 -14.293 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -3.904 5.626 -10.854 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -4.074 6.321 -12.470 1.00 0.00 H new ATOM 380 N PRO A 24 -1.252 -0.362 -14.516 1.00 0.00 N ATOM 381 CA PRO A 24 -1.079 -0.201 -15.983 1.00 0.00 C ATOM 382 C PRO A 24 -0.898 -1.564 -16.670 1.00 0.00 C ATOM 383 O PRO A 24 -0.856 -1.646 -17.884 1.00 0.00 O ATOM 384 CB PRO A 24 0.186 0.640 -16.111 1.00 0.00 C ATOM 385 CG PRO A 24 0.962 0.381 -14.859 1.00 0.00 C ATOM 386 CD PRO A 24 -0.019 -0.014 -13.785 1.00 0.00 C ATOM 0 HA PRO A 24 -1.944 0.261 -16.458 1.00 0.00 H new ATOM 0 HB2 PRO A 24 0.759 0.357 -16.994 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -0.054 1.698 -16.213 1.00 0.00 H new ATOM 0 HG2 PRO A 24 1.693 -0.411 -15.019 1.00 0.00 H new ATOM 0 HG3 PRO A 24 1.517 1.271 -14.562 1.00 0.00 H new ATOM 0 HD2 PRO A 24 0.349 -0.859 -13.204 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -0.191 0.804 -13.085 1.00 0.00 H new ATOM 394 N LYS A 25 -0.798 -2.634 -15.911 1.00 0.00 N ATOM 395 CA LYS A 25 -0.629 -3.981 -16.531 1.00 0.00 C ATOM 396 C LYS A 25 -2.001 -4.578 -16.854 1.00 0.00 C ATOM 397 O LYS A 25 -2.182 -5.232 -17.864 1.00 0.00 O ATOM 398 CB LYS A 25 0.084 -4.820 -15.469 1.00 0.00 C ATOM 399 CG LYS A 25 0.480 -6.172 -16.066 1.00 0.00 C ATOM 400 CD LYS A 25 1.821 -6.038 -16.790 1.00 0.00 C ATOM 401 CE LYS A 25 2.126 -7.335 -17.544 1.00 0.00 C ATOM 402 NZ LYS A 25 1.362 -7.229 -18.817 1.00 0.00 N ATOM 0 H LYS A 25 -0.827 -2.627 -14.891 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.065 -3.944 -17.463 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.970 -4.296 -15.111 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.569 -4.968 -14.609 1.00 0.00 H new ATOM 0 HG2 LYS A 25 0.553 -6.922 -15.278 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.288 -6.514 -16.760 1.00 0.00 H new ATOM 0 HD2 LYS A 25 1.789 -5.199 -17.486 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.614 -5.827 -16.073 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.194 -7.440 -17.732 1.00 0.00 H new ATOM 0 HE3 LYS A 25 1.816 -8.208 -16.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 0.918 -8.144 -19.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 0.625 -6.501 -18.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 2.008 -6.967 -19.589 1.00 0.00 H new ATOM 416 N ILE A 26 -2.968 -4.344 -16.004 1.00 0.00 N ATOM 417 CA ILE A 26 -4.340 -4.883 -16.253 1.00 0.00 C ATOM 418 C ILE A 26 -5.016 -4.115 -17.398 1.00 0.00 C ATOM 419 O ILE A 26 -6.000 -4.565 -17.952 1.00 0.00 O ATOM 420 CB ILE A 26 -5.100 -4.673 -14.935 1.00 0.00 C ATOM 421 CG1 ILE A 26 -4.399 -5.441 -13.803 1.00 0.00 C ATOM 422 CG2 ILE A 26 -6.544 -5.172 -15.076 1.00 0.00 C ATOM 423 CD1 ILE A 26 -4.365 -6.944 -14.115 1.00 0.00 C ATOM 0 H ILE A 26 -2.867 -3.802 -15.146 1.00 0.00 H new ATOM 0 HA ILE A 26 -4.322 -5.933 -16.547 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.111 -3.609 -14.699 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.383 -5.067 -13.676 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -4.921 -5.270 -12.862 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.075 -5.019 -14.137 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -7.044 -4.618 -15.870 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -6.540 -6.234 -15.322 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.865 -7.473 -13.303 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.384 -7.317 -14.218 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -3.822 -7.110 -15.045 1.00 0.00 H new ATOM 435 N LYS A 27 -4.497 -2.967 -17.761 1.00 0.00 N ATOM 436 CA LYS A 27 -5.113 -2.178 -18.872 1.00 0.00 C ATOM 437 C LYS A 27 -4.663 -2.715 -20.239 1.00 0.00 C ATOM 438 O LYS A 27 -5.242 -2.385 -21.256 1.00 0.00 O ATOM 439 CB LYS A 27 -4.610 -0.748 -18.665 1.00 0.00 C ATOM 440 CG LYS A 27 -5.390 -0.096 -17.522 1.00 0.00 C ATOM 441 CD LYS A 27 -4.792 1.278 -17.211 1.00 0.00 C ATOM 442 CE LYS A 27 -5.565 2.357 -17.972 1.00 0.00 C ATOM 443 NZ LYS A 27 -4.564 3.427 -18.244 1.00 0.00 N ATOM 0 H LYS A 27 -3.673 -2.543 -17.335 1.00 0.00 H new ATOM 0 HA LYS A 27 -6.201 -2.239 -18.860 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.544 -0.755 -18.435 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.735 -0.171 -19.581 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.440 0.007 -17.797 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.353 -0.729 -16.635 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.837 1.471 -16.139 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.740 1.301 -17.495 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -5.984 1.964 -18.898 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.398 2.737 -17.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.019 4.204 -18.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.187 3.787 -17.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.786 3.038 -18.814 1.00 0.00 H new ATOM 457 N SER A 28 -3.639 -3.536 -20.272 1.00 0.00 N ATOM 458 CA SER A 28 -3.160 -4.088 -21.578 1.00 0.00 C ATOM 459 C SER A 28 -4.102 -5.191 -22.070 1.00 0.00 C ATOM 460 O SER A 28 -4.539 -5.181 -23.205 1.00 0.00 O ATOM 461 CB SER A 28 -1.773 -4.661 -21.285 1.00 0.00 C ATOM 462 OG SER A 28 -1.187 -5.115 -22.498 1.00 0.00 O ATOM 0 H SER A 28 -3.116 -3.846 -19.453 1.00 0.00 H new ATOM 0 HA SER A 28 -3.131 -3.327 -22.357 1.00 0.00 H new ATOM 0 HB2 SER A 28 -1.142 -3.900 -20.825 1.00 0.00 H new ATOM 0 HB3 SER A 28 -1.849 -5.484 -20.574 1.00 0.00 H new ATOM 0 HG SER A 28 -0.297 -5.481 -22.314 1.00 0.00 H new ATOM 468 N GLU A 29 -4.415 -6.140 -21.225 1.00 0.00 N ATOM 469 CA GLU A 29 -5.327 -7.249 -21.639 1.00 0.00 C ATOM 470 C GLU A 29 -6.798 -6.894 -21.363 1.00 0.00 C ATOM 471 O GLU A 29 -7.679 -7.713 -21.550 1.00 0.00 O ATOM 472 CB GLU A 29 -4.900 -8.445 -20.786 1.00 0.00 C ATOM 473 CG GLU A 29 -3.621 -9.053 -21.364 1.00 0.00 C ATOM 474 CD GLU A 29 -3.969 -9.925 -22.572 1.00 0.00 C ATOM 475 OE1 GLU A 29 -4.485 -11.011 -22.363 1.00 0.00 O ATOM 476 OE2 GLU A 29 -3.715 -9.491 -23.683 1.00 0.00 O ATOM 0 H GLU A 29 -4.078 -6.195 -20.264 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.256 -7.450 -22.708 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -4.732 -8.129 -19.756 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -5.693 -9.192 -20.765 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -2.932 -8.262 -21.660 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -3.115 -9.650 -20.605 1.00 0.00 H new ATOM 483 N HIS A 30 -7.074 -5.684 -20.932 1.00 0.00 N ATOM 484 CA HIS A 30 -8.490 -5.287 -20.659 1.00 0.00 C ATOM 485 C HIS A 30 -8.671 -3.788 -20.946 1.00 0.00 C ATOM 486 O HIS A 30 -8.617 -2.980 -20.040 1.00 0.00 O ATOM 487 CB HIS A 30 -8.741 -5.579 -19.174 1.00 0.00 C ATOM 488 CG HIS A 30 -8.465 -7.027 -18.874 1.00 0.00 C ATOM 489 ND1 HIS A 30 -9.463 -7.989 -18.876 1.00 0.00 N ATOM 490 CD2 HIS A 30 -7.309 -7.688 -18.548 1.00 0.00 C ATOM 491 CE1 HIS A 30 -8.893 -9.165 -18.559 1.00 0.00 C ATOM 492 NE2 HIS A 30 -7.579 -9.038 -18.348 1.00 0.00 N ATOM 0 H HIS A 30 -6.380 -4.957 -20.758 1.00 0.00 H new ATOM 0 HA HIS A 30 -9.191 -5.834 -21.290 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -8.103 -4.945 -18.559 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -9.773 -5.337 -18.918 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -6.335 -7.230 -18.460 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -9.431 -10.098 -18.484 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -6.918 -9.772 -18.095 1.00 0.00 H new ATOM 500 N PRO A 31 -8.882 -3.458 -22.200 1.00 0.00 N ATOM 501 CA PRO A 31 -9.072 -2.035 -22.587 1.00 0.00 C ATOM 502 C PRO A 31 -10.375 -1.489 -21.996 1.00 0.00 C ATOM 503 O PRO A 31 -11.436 -2.057 -22.180 1.00 0.00 O ATOM 504 CB PRO A 31 -9.136 -2.084 -24.113 1.00 0.00 C ATOM 505 CG PRO A 31 -9.575 -3.476 -24.428 1.00 0.00 C ATOM 506 CD PRO A 31 -8.972 -4.353 -23.365 1.00 0.00 C ATOM 0 HA PRO A 31 -8.280 -1.380 -22.222 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -9.839 -1.349 -24.504 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -8.165 -1.864 -24.558 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -10.662 -3.552 -24.426 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -9.237 -3.777 -25.420 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -9.597 -5.222 -23.158 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -7.992 -4.728 -23.661 1.00 0.00 H new ATOM 514 N GLY A 32 -10.298 -0.393 -21.283 1.00 0.00 N ATOM 515 CA GLY A 32 -11.526 0.194 -20.669 1.00 0.00 C ATOM 516 C GLY A 32 -11.679 -0.299 -19.223 1.00 0.00 C ATOM 517 O GLY A 32 -12.433 0.264 -18.451 1.00 0.00 O ATOM 0 H GLY A 32 -9.436 0.120 -21.100 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -11.466 1.282 -20.686 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -12.403 -0.086 -21.252 1.00 0.00 H new ATOM 521 N LEU A 33 -10.978 -1.346 -18.849 1.00 0.00 N ATOM 522 CA LEU A 33 -11.091 -1.878 -17.453 1.00 0.00 C ATOM 523 C LEU A 33 -10.771 -0.788 -16.428 1.00 0.00 C ATOM 524 O LEU A 33 -9.623 -0.540 -16.107 1.00 0.00 O ATOM 525 CB LEU A 33 -10.059 -3.010 -17.369 1.00 0.00 C ATOM 526 CG LEU A 33 -10.481 -4.050 -16.318 1.00 0.00 C ATOM 527 CD1 LEU A 33 -10.586 -3.388 -14.942 1.00 0.00 C ATOM 528 CD2 LEU A 33 -11.838 -4.655 -16.696 1.00 0.00 C ATOM 0 H LEU A 33 -10.332 -1.855 -19.452 1.00 0.00 H new ATOM 0 HA LEU A 33 -12.101 -2.226 -17.235 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.957 -3.490 -18.343 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.082 -2.601 -17.112 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.730 -4.839 -16.284 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.885 -4.131 -14.203 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.618 -2.970 -14.665 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -11.329 -2.591 -14.977 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -12.130 -5.391 -15.947 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -12.588 -3.866 -16.741 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -11.762 -5.139 -17.670 1.00 0.00 H new ATOM 540 N SER A 34 -11.783 -0.146 -15.906 1.00 0.00 N ATOM 541 CA SER A 34 -11.554 0.923 -14.888 1.00 0.00 C ATOM 542 C SER A 34 -10.912 0.312 -13.640 1.00 0.00 C ATOM 543 O SER A 34 -10.636 -0.873 -13.597 1.00 0.00 O ATOM 544 CB SER A 34 -12.942 1.477 -14.559 1.00 0.00 C ATOM 545 OG SER A 34 -13.876 0.406 -14.496 1.00 0.00 O ATOM 0 H SER A 34 -12.761 -0.316 -16.141 1.00 0.00 H new ATOM 0 HA SER A 34 -10.888 1.706 -15.251 1.00 0.00 H new ATOM 0 HB2 SER A 34 -12.917 2.009 -13.608 1.00 0.00 H new ATOM 0 HB3 SER A 34 -13.248 2.196 -15.319 1.00 0.00 H new ATOM 0 HG SER A 34 -14.765 0.759 -14.284 1.00 0.00 H new ATOM 551 N ILE A 35 -10.674 1.106 -12.630 1.00 0.00 N ATOM 552 CA ILE A 35 -10.050 0.566 -11.383 1.00 0.00 C ATOM 553 C ILE A 35 -11.063 -0.278 -10.589 1.00 0.00 C ATOM 554 O ILE A 35 -10.708 -0.911 -9.611 1.00 0.00 O ATOM 555 CB ILE A 35 -9.614 1.799 -10.584 1.00 0.00 C ATOM 556 CG1 ILE A 35 -8.596 2.598 -11.407 1.00 0.00 C ATOM 557 CG2 ILE A 35 -8.967 1.359 -9.266 1.00 0.00 C ATOM 558 CD1 ILE A 35 -8.242 3.891 -10.673 1.00 0.00 C ATOM 0 H ILE A 35 -10.884 2.104 -12.613 1.00 0.00 H new ATOM 0 HA ILE A 35 -9.208 -0.091 -11.599 1.00 0.00 H new ATOM 0 HB ILE A 35 -10.484 2.419 -10.369 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -7.697 2.003 -11.569 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -9.008 2.827 -12.390 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.658 2.238 -8.701 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -9.686 0.786 -8.681 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -8.096 0.739 -9.478 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.518 4.456 -11.260 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -9.143 4.489 -10.534 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.812 3.651 -9.701 1.00 0.00 H new ATOM 570 N GLY A 36 -12.313 -0.299 -10.995 1.00 0.00 N ATOM 571 CA GLY A 36 -13.329 -1.107 -10.257 1.00 0.00 C ATOM 572 C GLY A 36 -12.956 -2.589 -10.330 1.00 0.00 C ATOM 573 O GLY A 36 -12.603 -3.198 -9.337 1.00 0.00 O ATOM 0 H GLY A 36 -12.669 0.209 -11.805 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -13.379 -0.785 -9.217 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -14.318 -0.949 -10.688 1.00 0.00 H new ATOM 577 N ASP A 37 -13.030 -3.172 -11.501 1.00 0.00 N ATOM 578 CA ASP A 37 -12.676 -4.619 -11.647 1.00 0.00 C ATOM 579 C ASP A 37 -11.186 -4.823 -11.365 1.00 0.00 C ATOM 580 O ASP A 37 -10.789 -5.789 -10.741 1.00 0.00 O ATOM 581 CB ASP A 37 -13.000 -4.968 -13.100 1.00 0.00 C ATOM 582 CG ASP A 37 -14.430 -5.502 -13.192 1.00 0.00 C ATOM 583 OD1 ASP A 37 -14.638 -6.649 -12.834 1.00 0.00 O ATOM 584 OD2 ASP A 37 -15.294 -4.754 -13.619 1.00 0.00 O ATOM 0 H ASP A 37 -13.320 -2.709 -12.362 1.00 0.00 H new ATOM 0 HA ASP A 37 -13.225 -5.251 -10.949 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -12.889 -4.085 -13.730 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -12.298 -5.715 -13.471 1.00 0.00 H new ATOM 589 N THR A 38 -10.361 -3.911 -11.816 1.00 0.00 N ATOM 590 CA THR A 38 -8.888 -4.033 -11.574 1.00 0.00 C ATOM 591 C THR A 38 -8.619 -4.067 -10.058 1.00 0.00 C ATOM 592 O THR A 38 -7.698 -4.712 -9.603 1.00 0.00 O ATOM 593 CB THR A 38 -8.276 -2.788 -12.260 1.00 0.00 C ATOM 594 OG1 THR A 38 -8.144 -3.050 -13.649 1.00 0.00 O ATOM 595 CG2 THR A 38 -6.890 -2.446 -11.689 1.00 0.00 C ATOM 0 H THR A 38 -10.644 -3.085 -12.343 1.00 0.00 H new ATOM 0 HA THR A 38 -8.451 -4.947 -11.976 1.00 0.00 H new ATOM 0 HB THR A 38 -8.938 -1.941 -12.079 1.00 0.00 H new ATOM 0 HG1 THR A 38 -7.759 -2.267 -14.094 1.00 0.00 H new ATOM 0 HG21 THR A 38 -6.494 -1.566 -12.197 1.00 0.00 H new ATOM 0 HG22 THR A 38 -6.977 -2.241 -10.622 1.00 0.00 H new ATOM 0 HG23 THR A 38 -6.215 -3.288 -11.843 1.00 0.00 H new ATOM 603 N ALA A 39 -9.427 -3.386 -9.288 1.00 0.00 N ATOM 604 CA ALA A 39 -9.233 -3.379 -7.805 1.00 0.00 C ATOM 605 C ALA A 39 -9.698 -4.709 -7.208 1.00 0.00 C ATOM 606 O ALA A 39 -9.226 -5.130 -6.168 1.00 0.00 O ATOM 607 CB ALA A 39 -10.100 -2.229 -7.289 1.00 0.00 C ATOM 0 H ALA A 39 -10.216 -2.832 -9.622 1.00 0.00 H new ATOM 0 HA ALA A 39 -8.186 -3.251 -7.529 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -10.008 -2.162 -6.205 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -9.769 -1.293 -7.739 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -11.141 -2.411 -7.555 1.00 0.00 H new ATOM 613 N LYS A 40 -10.610 -5.379 -7.866 1.00 0.00 N ATOM 614 CA LYS A 40 -11.098 -6.690 -7.352 1.00 0.00 C ATOM 615 C LYS A 40 -10.077 -7.767 -7.704 1.00 0.00 C ATOM 616 O LYS A 40 -9.819 -8.674 -6.934 1.00 0.00 O ATOM 617 CB LYS A 40 -12.423 -6.941 -8.072 1.00 0.00 C ATOM 618 CG LYS A 40 -13.540 -6.166 -7.370 1.00 0.00 C ATOM 619 CD LYS A 40 -14.771 -6.111 -8.276 1.00 0.00 C ATOM 620 CE LYS A 40 -15.928 -5.445 -7.527 1.00 0.00 C ATOM 621 NZ LYS A 40 -17.052 -5.416 -8.502 1.00 0.00 N ATOM 0 H LYS A 40 -11.038 -5.072 -8.740 1.00 0.00 H new ATOM 0 HA LYS A 40 -11.232 -6.700 -6.270 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -12.348 -6.628 -9.114 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -12.651 -8.007 -8.075 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -13.792 -6.647 -6.425 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -13.204 -5.156 -7.134 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -14.543 -5.553 -9.184 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -15.054 -7.118 -8.583 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -16.196 -6.008 -6.633 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -15.661 -4.439 -7.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -17.883 -4.973 -8.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -16.771 -4.867 -9.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -17.289 -6.388 -8.788 1.00 0.00 H new ATOM 635 N LYS A 41 -9.483 -7.656 -8.864 1.00 0.00 N ATOM 636 CA LYS A 41 -8.457 -8.654 -9.281 1.00 0.00 C ATOM 637 C LYS A 41 -7.180 -8.434 -8.467 1.00 0.00 C ATOM 638 O LYS A 41 -6.670 -9.336 -7.833 1.00 0.00 O ATOM 639 CB LYS A 41 -8.205 -8.380 -10.765 1.00 0.00 C ATOM 640 CG LYS A 41 -7.653 -9.642 -11.432 1.00 0.00 C ATOM 641 CD LYS A 41 -7.902 -9.573 -12.940 1.00 0.00 C ATOM 642 CE LYS A 41 -7.629 -10.942 -13.566 1.00 0.00 C ATOM 643 NZ LYS A 41 -7.942 -10.773 -15.012 1.00 0.00 N ATOM 0 H LYS A 41 -9.666 -6.915 -9.541 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.779 -9.682 -9.117 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.131 -8.075 -11.251 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -7.499 -7.557 -10.879 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.585 -9.734 -11.233 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.133 -10.527 -11.014 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -8.931 -9.270 -13.136 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.257 -8.820 -13.392 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -6.592 -11.244 -13.419 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -8.252 -11.714 -13.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -7.779 -11.671 -15.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -8.937 -10.492 -15.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -7.329 -10.037 -15.416 1.00 0.00 H new ATOM 657 N LEU A 42 -6.662 -7.231 -8.487 1.00 0.00 N ATOM 658 CA LEU A 42 -5.407 -6.916 -7.724 1.00 0.00 C ATOM 659 C LEU A 42 -5.503 -7.394 -6.272 1.00 0.00 C ATOM 660 O LEU A 42 -4.630 -8.083 -5.785 1.00 0.00 O ATOM 661 CB LEU A 42 -5.297 -5.388 -7.769 1.00 0.00 C ATOM 662 CG LEU A 42 -4.333 -4.946 -8.883 1.00 0.00 C ATOM 663 CD1 LEU A 42 -4.704 -5.598 -10.221 1.00 0.00 C ATOM 664 CD2 LEU A 42 -4.417 -3.431 -9.037 1.00 0.00 C ATOM 0 H LEU A 42 -7.056 -6.444 -9.003 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.539 -7.415 -8.155 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.282 -4.952 -7.939 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.945 -5.015 -6.807 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.323 -5.253 -8.611 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.007 -5.269 -10.992 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.652 -6.682 -10.124 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.717 -5.307 -10.499 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.737 -3.107 -9.825 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.437 -3.148 -9.299 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.138 -2.954 -8.098 1.00 0.00 H new ATOM 676 N GLY A 43 -6.556 -7.034 -5.582 1.00 0.00 N ATOM 677 CA GLY A 43 -6.707 -7.470 -4.160 1.00 0.00 C ATOM 678 C GLY A 43 -6.710 -8.998 -4.095 1.00 0.00 C ATOM 679 O GLY A 43 -6.270 -9.587 -3.125 1.00 0.00 O ATOM 0 H GLY A 43 -7.317 -6.458 -5.941 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.891 -7.071 -3.557 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.634 -7.075 -3.744 1.00 0.00 H new ATOM 683 N GLU A 44 -7.178 -9.642 -5.135 1.00 0.00 N ATOM 684 CA GLU A 44 -7.183 -11.133 -5.151 1.00 0.00 C ATOM 685 C GLU A 44 -5.743 -11.627 -5.276 1.00 0.00 C ATOM 686 O GLU A 44 -5.358 -12.612 -4.675 1.00 0.00 O ATOM 687 CB GLU A 44 -8.000 -11.526 -6.384 1.00 0.00 C ATOM 688 CG GLU A 44 -8.441 -12.986 -6.262 1.00 0.00 C ATOM 689 CD GLU A 44 -9.589 -13.256 -7.238 1.00 0.00 C ATOM 690 OE1 GLU A 44 -9.323 -13.339 -8.426 1.00 0.00 O ATOM 691 OE2 GLU A 44 -10.713 -13.376 -6.780 1.00 0.00 O ATOM 0 H GLU A 44 -7.556 -9.198 -5.972 1.00 0.00 H new ATOM 0 HA GLU A 44 -7.609 -11.566 -4.246 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -8.872 -10.879 -6.477 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.404 -11.390 -7.286 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.603 -13.649 -6.477 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -8.760 -13.196 -5.241 1.00 0.00 H new ATOM 698 N MET A 45 -4.944 -10.934 -6.048 1.00 0.00 N ATOM 699 CA MET A 45 -3.517 -11.335 -6.215 1.00 0.00 C ATOM 700 C MET A 45 -2.697 -10.824 -5.029 1.00 0.00 C ATOM 701 O MET A 45 -1.904 -11.546 -4.461 1.00 0.00 O ATOM 702 CB MET A 45 -3.061 -10.667 -7.513 1.00 0.00 C ATOM 703 CG MET A 45 -3.523 -11.502 -8.708 1.00 0.00 C ATOM 704 SD MET A 45 -2.785 -10.845 -10.225 1.00 0.00 S ATOM 705 CE MET A 45 -3.893 -9.427 -10.420 1.00 0.00 C ATOM 0 H MET A 45 -5.222 -10.104 -6.572 1.00 0.00 H new ATOM 0 HA MET A 45 -3.390 -12.417 -6.255 1.00 0.00 H new ATOM 0 HB2 MET A 45 -3.472 -9.660 -7.580 1.00 0.00 H new ATOM 0 HB3 MET A 45 -1.975 -10.570 -7.522 1.00 0.00 H new ATOM 0 HG2 MET A 45 -3.233 -12.544 -8.571 1.00 0.00 H new ATOM 0 HG3 MET A 45 -4.610 -11.481 -8.781 1.00 0.00 H new ATOM 0 HE1 MET A 45 -4.297 -9.417 -11.432 1.00 0.00 H new ATOM 0 HE2 MET A 45 -4.711 -9.503 -9.704 1.00 0.00 H new ATOM 0 HE3 MET A 45 -3.339 -8.505 -10.242 1.00 0.00 H new ATOM 715 N TRP A 46 -2.906 -9.587 -4.632 1.00 0.00 N ATOM 716 CA TRP A 46 -2.161 -9.009 -3.460 1.00 0.00 C ATOM 717 C TRP A 46 -2.271 -9.954 -2.254 1.00 0.00 C ATOM 718 O TRP A 46 -1.278 -10.349 -1.673 1.00 0.00 O ATOM 719 CB TRP A 46 -2.846 -7.656 -3.191 1.00 0.00 C ATOM 720 CG TRP A 46 -2.330 -7.052 -1.925 1.00 0.00 C ATOM 721 CD1 TRP A 46 -3.071 -6.744 -0.835 1.00 0.00 C ATOM 722 CD2 TRP A 46 -0.965 -6.685 -1.609 1.00 0.00 C ATOM 723 NE1 TRP A 46 -2.238 -6.207 0.131 1.00 0.00 N ATOM 724 CE2 TRP A 46 -0.926 -6.151 -0.303 1.00 0.00 C ATOM 725 CE3 TRP A 46 0.230 -6.766 -2.333 1.00 0.00 C ATOM 726 CZ2 TRP A 46 0.268 -5.711 0.266 1.00 0.00 C ATOM 727 CZ3 TRP A 46 1.435 -6.326 -1.768 1.00 0.00 C ATOM 728 CH2 TRP A 46 1.453 -5.799 -0.471 1.00 0.00 C ATOM 0 H TRP A 46 -3.567 -8.947 -5.073 1.00 0.00 H new ATOM 0 HA TRP A 46 -1.095 -8.882 -3.650 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -2.665 -6.978 -4.025 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -3.925 -7.795 -3.121 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -4.136 -6.893 -0.736 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -2.552 -5.892 1.049 1.00 0.00 H new ATOM 0 HE3 TRP A 46 0.224 -7.170 -3.334 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 0.278 -5.306 1.267 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 2.352 -6.394 -2.335 1.00 0.00 H new ATOM 0 HH2 TRP A 46 2.383 -5.460 -0.039 1.00 0.00 H new ATOM 739 N SER A 47 -3.471 -10.327 -1.888 1.00 0.00 N ATOM 740 CA SER A 47 -3.652 -11.259 -0.733 1.00 0.00 C ATOM 741 C SER A 47 -2.966 -12.605 -1.015 1.00 0.00 C ATOM 742 O SER A 47 -2.782 -13.409 -0.120 1.00 0.00 O ATOM 743 CB SER A 47 -5.164 -11.451 -0.601 1.00 0.00 C ATOM 744 OG SER A 47 -5.468 -11.897 0.715 1.00 0.00 O ATOM 0 H SER A 47 -4.335 -10.026 -2.340 1.00 0.00 H new ATOM 0 HA SER A 47 -3.210 -10.862 0.181 1.00 0.00 H new ATOM 0 HB2 SER A 47 -5.681 -10.514 -0.808 1.00 0.00 H new ATOM 0 HB3 SER A 47 -5.515 -12.177 -1.334 1.00 0.00 H new ATOM 0 HG SER A 47 -6.436 -12.020 0.803 1.00 0.00 H new ATOM 750 N GLU A 48 -2.576 -12.854 -2.246 1.00 0.00 N ATOM 751 CA GLU A 48 -1.895 -14.131 -2.581 1.00 0.00 C ATOM 752 C GLU A 48 -0.383 -13.919 -2.702 1.00 0.00 C ATOM 753 O GLU A 48 0.373 -14.873 -2.736 1.00 0.00 O ATOM 754 CB GLU A 48 -2.490 -14.539 -3.928 1.00 0.00 C ATOM 755 CG GLU A 48 -3.707 -15.436 -3.701 1.00 0.00 C ATOM 756 CD GLU A 48 -3.246 -16.804 -3.192 1.00 0.00 C ATOM 757 OE1 GLU A 48 -2.700 -17.555 -3.984 1.00 0.00 O ATOM 758 OE2 GLU A 48 -3.447 -17.077 -2.021 1.00 0.00 O ATOM 0 H GLU A 48 -2.705 -12.217 -3.032 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.040 -14.893 -1.815 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.779 -13.653 -4.493 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.743 -15.066 -4.522 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.381 -14.976 -2.979 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.265 -15.551 -4.630 1.00 0.00 H new ATOM 765 N GLN A 49 0.075 -12.685 -2.761 1.00 0.00 N ATOM 766 CA GLN A 49 1.544 -12.445 -2.873 1.00 0.00 C ATOM 767 C GLN A 49 2.248 -12.985 -1.630 1.00 0.00 C ATOM 768 O GLN A 49 1.746 -12.881 -0.528 1.00 0.00 O ATOM 769 CB GLN A 49 1.722 -10.921 -2.951 1.00 0.00 C ATOM 770 CG GLN A 49 1.085 -10.368 -4.233 1.00 0.00 C ATOM 771 CD GLN A 49 1.713 -11.026 -5.465 1.00 0.00 C ATOM 772 OE1 GLN A 49 2.882 -11.357 -5.463 1.00 0.00 O ATOM 773 NE2 GLN A 49 0.978 -11.228 -6.524 1.00 0.00 N ATOM 0 H GLN A 49 -0.504 -11.845 -2.736 1.00 0.00 H new ATOM 0 HA GLN A 49 1.968 -12.942 -3.745 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.266 -10.451 -2.080 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.783 -10.672 -2.929 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.011 -10.552 -4.222 1.00 0.00 H new ATOM 0 HG3 GLN A 49 1.223 -9.288 -4.279 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -0.003 -10.950 -6.524 1.00 0.00 H new ATOM 0 HE22 GLN A 49 1.385 -11.664 -7.351 1.00 0.00 H new ATOM 782 N SER A 50 3.410 -13.547 -1.802 1.00 0.00 N ATOM 783 CA SER A 50 4.165 -14.078 -0.635 1.00 0.00 C ATOM 784 C SER A 50 5.101 -12.971 -0.104 1.00 0.00 C ATOM 785 O SER A 50 4.629 -11.936 0.330 1.00 0.00 O ATOM 786 CB SER A 50 4.924 -15.293 -1.183 1.00 0.00 C ATOM 787 OG SER A 50 5.899 -14.854 -2.119 1.00 0.00 O ATOM 0 H SER A 50 3.871 -13.662 -2.704 1.00 0.00 H new ATOM 0 HA SER A 50 3.539 -14.375 0.206 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.404 -15.835 -0.368 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.230 -15.985 -1.661 1.00 0.00 H new ATOM 0 HG SER A 50 6.387 -15.628 -2.470 1.00 0.00 H new ATOM 793 N ALA A 51 6.407 -13.151 -0.135 1.00 0.00 N ATOM 794 CA ALA A 51 7.318 -12.079 0.364 1.00 0.00 C ATOM 795 C ALA A 51 7.999 -11.348 -0.805 1.00 0.00 C ATOM 796 O ALA A 51 8.713 -10.385 -0.602 1.00 0.00 O ATOM 797 CB ALA A 51 8.354 -12.805 1.222 1.00 0.00 C ATOM 0 H ALA A 51 6.872 -13.990 -0.483 1.00 0.00 H new ATOM 0 HA ALA A 51 6.778 -11.319 0.929 1.00 0.00 H new ATOM 0 HB1 ALA A 51 9.062 -12.082 1.627 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.852 -13.319 2.042 1.00 0.00 H new ATOM 0 HB3 ALA A 51 8.888 -13.533 0.610 1.00 0.00 H new ATOM 803 N LYS A 52 7.787 -11.790 -2.025 1.00 0.00 N ATOM 804 CA LYS A 52 8.427 -11.104 -3.190 1.00 0.00 C ATOM 805 C LYS A 52 7.665 -9.816 -3.517 1.00 0.00 C ATOM 806 O LYS A 52 8.254 -8.782 -3.768 1.00 0.00 O ATOM 807 CB LYS A 52 8.328 -12.098 -4.348 1.00 0.00 C ATOM 808 CG LYS A 52 9.470 -11.847 -5.335 1.00 0.00 C ATOM 809 CD LYS A 52 9.656 -13.078 -6.224 1.00 0.00 C ATOM 810 CE LYS A 52 8.477 -13.192 -7.192 1.00 0.00 C ATOM 811 NZ LYS A 52 8.659 -14.508 -7.867 1.00 0.00 N ATOM 0 H LYS A 52 7.202 -12.591 -2.261 1.00 0.00 H new ATOM 0 HA LYS A 52 9.461 -10.824 -2.990 1.00 0.00 H new ATOM 0 HB2 LYS A 52 8.378 -13.119 -3.970 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.367 -11.991 -4.852 1.00 0.00 H new ATOM 0 HG2 LYS A 52 9.250 -10.973 -5.948 1.00 0.00 H new ATOM 0 HG3 LYS A 52 10.392 -11.633 -4.794 1.00 0.00 H new ATOM 0 HD2 LYS A 52 10.590 -13.000 -6.780 1.00 0.00 H new ATOM 0 HD3 LYS A 52 9.724 -13.976 -5.610 1.00 0.00 H new ATOM 0 HE2 LYS A 52 7.525 -13.148 -6.662 1.00 0.00 H new ATOM 0 HE3 LYS A 52 8.478 -12.375 -7.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 7.887 -14.659 -8.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 9.570 -14.518 -8.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 8.647 -15.267 -7.156 1.00 0.00 H new ATOM 825 N ASP A 53 6.359 -9.879 -3.507 1.00 0.00 N ATOM 826 CA ASP A 53 5.539 -8.667 -3.808 1.00 0.00 C ATOM 827 C ASP A 53 4.604 -8.370 -2.632 1.00 0.00 C ATOM 828 O ASP A 53 3.397 -8.320 -2.776 1.00 0.00 O ATOM 829 CB ASP A 53 4.735 -9.032 -5.055 1.00 0.00 C ATOM 830 CG ASP A 53 5.373 -8.389 -6.289 1.00 0.00 C ATOM 831 OD1 ASP A 53 6.435 -8.840 -6.685 1.00 0.00 O ATOM 832 OD2 ASP A 53 4.789 -7.458 -6.817 1.00 0.00 O ATOM 0 H ASP A 53 5.822 -10.722 -3.302 1.00 0.00 H new ATOM 0 HA ASP A 53 6.149 -7.778 -3.967 1.00 0.00 H new ATOM 0 HB2 ASP A 53 4.702 -10.115 -5.174 1.00 0.00 H new ATOM 0 HB3 ASP A 53 3.705 -8.692 -4.948 1.00 0.00 H new ATOM 837 N LYS A 54 5.165 -8.175 -1.465 1.00 0.00 N ATOM 838 CA LYS A 54 4.327 -7.881 -0.267 1.00 0.00 C ATOM 839 C LYS A 54 5.191 -7.485 0.936 1.00 0.00 C ATOM 840 O LYS A 54 4.792 -6.671 1.749 1.00 0.00 O ATOM 841 CB LYS A 54 3.594 -9.190 0.011 1.00 0.00 C ATOM 842 CG LYS A 54 2.145 -8.888 0.406 1.00 0.00 C ATOM 843 CD LYS A 54 1.538 -10.075 1.150 1.00 0.00 C ATOM 844 CE LYS A 54 2.127 -10.153 2.561 1.00 0.00 C ATOM 845 NZ LYS A 54 1.299 -9.219 3.374 1.00 0.00 N ATOM 0 H LYS A 54 6.170 -8.207 -1.292 1.00 0.00 H new ATOM 0 HA LYS A 54 3.650 -7.044 -0.439 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.616 -9.827 -0.873 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.094 -9.737 0.810 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.111 -7.999 1.036 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.556 -8.670 -0.485 1.00 0.00 H new ATOM 0 HD2 LYS A 54 0.455 -9.968 1.203 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.741 -10.999 0.609 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.078 -11.169 2.954 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.177 -9.859 2.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.890 -8.783 4.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 0.908 -8.477 2.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 0.521 -9.744 3.821 1.00 0.00 H new ATOM 859 N GLN A 55 6.363 -8.055 1.061 1.00 0.00 N ATOM 860 CA GLN A 55 7.246 -7.711 2.221 1.00 0.00 C ATOM 861 C GLN A 55 7.763 -6.267 2.099 1.00 0.00 C ATOM 862 O GLN A 55 7.570 -5.476 2.999 1.00 0.00 O ATOM 863 CB GLN A 55 8.408 -8.703 2.158 1.00 0.00 C ATOM 864 CG GLN A 55 8.111 -9.897 3.068 1.00 0.00 C ATOM 865 CD GLN A 55 8.089 -9.436 4.527 1.00 0.00 C ATOM 866 OE1 GLN A 55 9.124 -9.299 5.148 1.00 0.00 O ATOM 867 NE2 GLN A 55 6.946 -9.189 5.103 1.00 0.00 N ATOM 0 H GLN A 55 6.747 -8.742 0.413 1.00 0.00 H new ATOM 0 HA GLN A 55 6.710 -7.775 3.168 1.00 0.00 H new ATOM 0 HB2 GLN A 55 8.555 -9.042 1.133 1.00 0.00 H new ATOM 0 HB3 GLN A 55 9.332 -8.216 2.469 1.00 0.00 H new ATOM 0 HG2 GLN A 55 7.152 -10.341 2.802 1.00 0.00 H new ATOM 0 HG3 GLN A 55 8.868 -10.669 2.931 1.00 0.00 H new ATOM 0 HE21 GLN A 55 6.077 -9.304 4.582 1.00 0.00 H new ATOM 0 HE22 GLN A 55 6.921 -8.881 6.075 1.00 0.00 H new ATOM 876 N PRO A 56 8.407 -5.957 0.990 1.00 0.00 N ATOM 877 CA PRO A 56 8.936 -4.580 0.793 1.00 0.00 C ATOM 878 C PRO A 56 7.803 -3.582 0.502 1.00 0.00 C ATOM 879 O PRO A 56 8.038 -2.395 0.383 1.00 0.00 O ATOM 880 CB PRO A 56 9.849 -4.717 -0.422 1.00 0.00 C ATOM 881 CG PRO A 56 9.320 -5.896 -1.173 1.00 0.00 C ATOM 882 CD PRO A 56 8.707 -6.826 -0.162 1.00 0.00 C ATOM 0 HA PRO A 56 9.448 -4.201 1.677 1.00 0.00 H new ATOM 0 HB2 PRO A 56 9.827 -3.816 -1.035 1.00 0.00 H new ATOM 0 HB3 PRO A 56 10.885 -4.873 -0.121 1.00 0.00 H new ATOM 0 HG2 PRO A 56 8.578 -5.583 -1.908 1.00 0.00 H new ATOM 0 HG3 PRO A 56 10.120 -6.395 -1.720 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.805 -7.299 -0.551 1.00 0.00 H new ATOM 0 HD3 PRO A 56 9.394 -7.627 0.111 1.00 0.00 H new ATOM 890 N TYR A 57 6.582 -4.050 0.374 1.00 0.00 N ATOM 891 CA TYR A 57 5.448 -3.125 0.077 1.00 0.00 C ATOM 892 C TYR A 57 4.869 -2.541 1.370 1.00 0.00 C ATOM 893 O TYR A 57 4.555 -1.368 1.443 1.00 0.00 O ATOM 894 CB TYR A 57 4.412 -3.997 -0.631 1.00 0.00 C ATOM 895 CG TYR A 57 4.871 -4.279 -2.041 1.00 0.00 C ATOM 896 CD1 TYR A 57 5.974 -5.113 -2.270 1.00 0.00 C ATOM 897 CD2 TYR A 57 4.194 -3.707 -3.121 1.00 0.00 C ATOM 898 CE1 TYR A 57 6.397 -5.370 -3.580 1.00 0.00 C ATOM 899 CE2 TYR A 57 4.616 -3.964 -4.429 1.00 0.00 C ATOM 900 CZ TYR A 57 5.718 -4.795 -4.659 1.00 0.00 C ATOM 901 OH TYR A 57 6.134 -5.049 -5.951 1.00 0.00 O ATOM 0 H TYR A 57 6.326 -5.033 0.463 1.00 0.00 H new ATOM 0 HA TYR A 57 5.759 -2.276 -0.531 1.00 0.00 H new ATOM 0 HB2 TYR A 57 4.276 -4.932 -0.088 1.00 0.00 H new ATOM 0 HB3 TYR A 57 3.446 -3.493 -0.646 1.00 0.00 H new ATOM 0 HD1 TYR A 57 6.498 -5.557 -1.436 1.00 0.00 H new ATOM 0 HD2 TYR A 57 3.343 -3.065 -2.945 1.00 0.00 H new ATOM 0 HE1 TYR A 57 7.247 -6.012 -3.757 1.00 0.00 H new ATOM 0 HE2 TYR A 57 4.091 -3.521 -5.262 1.00 0.00 H new ATOM 0 HH TYR A 57 6.000 -4.249 -6.501 1.00 0.00 H new ATOM 911 N GLU A 58 4.722 -3.351 2.389 1.00 0.00 N ATOM 912 CA GLU A 58 4.157 -2.844 3.678 1.00 0.00 C ATOM 913 C GLU A 58 5.205 -2.029 4.447 1.00 0.00 C ATOM 914 O GLU A 58 4.868 -1.189 5.260 1.00 0.00 O ATOM 915 CB GLU A 58 3.756 -4.095 4.467 1.00 0.00 C ATOM 916 CG GLU A 58 4.982 -4.991 4.700 1.00 0.00 C ATOM 917 CD GLU A 58 5.405 -4.918 6.170 1.00 0.00 C ATOM 918 OE1 GLU A 58 5.691 -3.825 6.629 1.00 0.00 O ATOM 919 OE2 GLU A 58 5.437 -5.957 6.809 1.00 0.00 O ATOM 0 H GLU A 58 4.969 -4.341 2.384 1.00 0.00 H new ATOM 0 HA GLU A 58 3.308 -2.181 3.514 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.320 -3.806 5.424 1.00 0.00 H new ATOM 0 HB3 GLU A 58 2.991 -4.648 3.922 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.748 -6.021 4.430 1.00 0.00 H new ATOM 0 HG3 GLU A 58 5.804 -4.672 4.059 1.00 0.00 H new ATOM 926 N GLN A 59 6.469 -2.268 4.193 1.00 0.00 N ATOM 927 CA GLN A 59 7.535 -1.502 4.909 1.00 0.00 C ATOM 928 C GLN A 59 7.628 -0.083 4.345 1.00 0.00 C ATOM 929 O GLN A 59 7.314 0.881 5.015 1.00 0.00 O ATOM 930 CB GLN A 59 8.830 -2.271 4.642 1.00 0.00 C ATOM 931 CG GLN A 59 8.770 -3.632 5.337 1.00 0.00 C ATOM 932 CD GLN A 59 9.026 -3.452 6.835 1.00 0.00 C ATOM 933 OE1 GLN A 59 10.154 -3.514 7.282 1.00 0.00 O ATOM 934 NE2 GLN A 59 8.019 -3.228 7.635 1.00 0.00 N ATOM 0 H GLN A 59 6.807 -2.958 3.523 1.00 0.00 H new ATOM 0 HA GLN A 59 7.332 -1.411 5.976 1.00 0.00 H new ATOM 0 HB2 GLN A 59 8.971 -2.405 3.569 1.00 0.00 H new ATOM 0 HB3 GLN A 59 9.685 -1.702 5.007 1.00 0.00 H new ATOM 0 HG2 GLN A 59 7.795 -4.091 5.177 1.00 0.00 H new ATOM 0 HG3 GLN A 59 9.513 -4.304 4.908 1.00 0.00 H new ATOM 0 HE21 GLN A 59 7.072 -3.176 7.260 1.00 0.00 H new ATOM 0 HE22 GLN A 59 8.179 -3.105 8.635 1.00 0.00 H new ATOM 943 N LYS A 60 8.068 0.050 3.116 1.00 0.00 N ATOM 944 CA LYS A 60 8.202 1.407 2.484 1.00 0.00 C ATOM 945 C LYS A 60 6.936 2.255 2.683 1.00 0.00 C ATOM 946 O LYS A 60 6.994 3.471 2.678 1.00 0.00 O ATOM 947 CB LYS A 60 8.422 1.130 0.995 1.00 0.00 C ATOM 948 CG LYS A 60 8.732 2.442 0.271 1.00 0.00 C ATOM 949 CD LYS A 60 8.424 2.287 -1.219 1.00 0.00 C ATOM 950 CE LYS A 60 8.945 3.508 -1.980 1.00 0.00 C ATOM 951 NZ LYS A 60 7.810 4.472 -1.981 1.00 0.00 N ATOM 0 H LYS A 60 8.343 -0.728 2.517 1.00 0.00 H new ATOM 0 HA LYS A 60 9.019 1.972 2.933 1.00 0.00 H new ATOM 0 HB2 LYS A 60 9.244 0.427 0.863 1.00 0.00 H new ATOM 0 HB3 LYS A 60 7.534 0.667 0.566 1.00 0.00 H new ATOM 0 HG2 LYS A 60 8.138 3.252 0.694 1.00 0.00 H new ATOM 0 HG3 LYS A 60 9.780 2.708 0.411 1.00 0.00 H new ATOM 0 HD2 LYS A 60 8.889 1.380 -1.604 1.00 0.00 H new ATOM 0 HD3 LYS A 60 7.349 2.183 -1.370 1.00 0.00 H new ATOM 0 HE2 LYS A 60 9.823 3.932 -1.493 1.00 0.00 H new ATOM 0 HE3 LYS A 60 9.240 3.244 -2.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 8.174 5.437 -2.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 7.155 4.237 -2.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 7.307 4.417 -1.072 1.00 0.00 H new ATOM 965 N ALA A 61 5.799 1.628 2.868 1.00 0.00 N ATOM 966 CA ALA A 61 4.541 2.404 3.078 1.00 0.00 C ATOM 967 C ALA A 61 4.355 2.697 4.568 1.00 0.00 C ATOM 968 O ALA A 61 3.915 3.767 4.948 1.00 0.00 O ATOM 969 CB ALA A 61 3.419 1.502 2.565 1.00 0.00 C ATOM 0 H ALA A 61 5.690 0.614 2.882 1.00 0.00 H new ATOM 0 HA ALA A 61 4.555 3.362 2.559 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.461 2.007 2.687 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.582 1.283 1.510 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.413 0.571 3.132 1.00 0.00 H new ATOM 975 N ALA A 62 4.692 1.755 5.412 1.00 0.00 N ATOM 976 CA ALA A 62 4.543 1.972 6.886 1.00 0.00 C ATOM 977 C ALA A 62 5.382 3.173 7.330 1.00 0.00 C ATOM 978 O ALA A 62 4.921 4.019 8.074 1.00 0.00 O ATOM 979 CB ALA A 62 5.058 0.688 7.539 1.00 0.00 C ATOM 0 H ALA A 62 5.064 0.844 5.145 1.00 0.00 H new ATOM 0 HA ALA A 62 3.511 2.181 7.167 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.979 0.774 8.623 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.461 -0.158 7.198 1.00 0.00 H new ATOM 0 HB3 ALA A 62 6.101 0.532 7.262 1.00 0.00 H new ATOM 985 N LYS A 63 6.607 3.258 6.873 1.00 0.00 N ATOM 986 CA LYS A 63 7.477 4.412 7.262 1.00 0.00 C ATOM 987 C LYS A 63 7.077 5.682 6.494 1.00 0.00 C ATOM 988 O LYS A 63 7.534 6.766 6.805 1.00 0.00 O ATOM 989 CB LYS A 63 8.906 3.985 6.899 1.00 0.00 C ATOM 990 CG LYS A 63 9.003 3.676 5.401 1.00 0.00 C ATOM 991 CD LYS A 63 10.462 3.792 4.948 1.00 0.00 C ATOM 992 CE LYS A 63 10.514 4.344 3.521 1.00 0.00 C ATOM 993 NZ LYS A 63 11.963 4.542 3.238 1.00 0.00 N ATOM 0 H LYS A 63 7.042 2.579 6.248 1.00 0.00 H new ATOM 0 HA LYS A 63 7.382 4.649 8.322 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.607 4.777 7.160 1.00 0.00 H new ATOM 0 HB3 LYS A 63 9.189 3.106 7.478 1.00 0.00 H new ATOM 0 HG2 LYS A 63 8.628 2.672 5.201 1.00 0.00 H new ATOM 0 HG3 LYS A 63 8.379 4.368 4.835 1.00 0.00 H new ATOM 0 HD2 LYS A 63 11.012 4.448 5.623 1.00 0.00 H new ATOM 0 HD3 LYS A 63 10.945 2.816 4.989 1.00 0.00 H new ATOM 0 HE2 LYS A 63 10.065 3.649 2.812 1.00 0.00 H new ATOM 0 HE3 LYS A 63 9.964 5.282 3.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 12.080 4.919 2.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 12.362 5.214 3.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 12.459 3.631 3.316 1.00 0.00 H new ATOM 1007 N LEU A 64 6.221 5.560 5.506 1.00 0.00 N ATOM 1008 CA LEU A 64 5.784 6.761 4.737 1.00 0.00 C ATOM 1009 C LEU A 64 4.477 7.289 5.326 1.00 0.00 C ATOM 1010 O LEU A 64 4.233 8.481 5.360 1.00 0.00 O ATOM 1011 CB LEU A 64 5.571 6.264 3.307 1.00 0.00 C ATOM 1012 CG LEU A 64 6.837 6.513 2.486 1.00 0.00 C ATOM 1013 CD1 LEU A 64 6.699 5.844 1.117 1.00 0.00 C ATOM 1014 CD2 LEU A 64 7.034 8.019 2.298 1.00 0.00 C ATOM 0 H LEU A 64 5.808 4.678 5.202 1.00 0.00 H new ATOM 0 HA LEU A 64 6.510 7.573 4.772 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.332 5.201 3.312 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.724 6.779 2.854 1.00 0.00 H new ATOM 0 HG LEU A 64 7.697 6.095 3.010 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.602 6.022 0.532 1.00 0.00 H new ATOM 0 HD12 LEU A 64 6.558 4.771 1.249 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.839 6.262 0.593 1.00 0.00 H new ATOM 0 HD21 LEU A 64 7.936 8.198 1.713 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.174 8.436 1.775 1.00 0.00 H new ATOM 0 HD23 LEU A 64 7.133 8.497 3.272 1.00 0.00 H new ATOM 1026 N LYS A 65 3.639 6.401 5.795 1.00 0.00 N ATOM 1027 CA LYS A 65 2.340 6.829 6.396 1.00 0.00 C ATOM 1028 C LYS A 65 2.593 7.529 7.736 1.00 0.00 C ATOM 1029 O LYS A 65 2.153 8.641 7.959 1.00 0.00 O ATOM 1030 CB LYS A 65 1.549 5.534 6.603 1.00 0.00 C ATOM 1031 CG LYS A 65 0.171 5.860 7.184 1.00 0.00 C ATOM 1032 CD LYS A 65 -0.461 4.585 7.746 1.00 0.00 C ATOM 1033 CE LYS A 65 -1.710 4.947 8.553 1.00 0.00 C ATOM 1034 NZ LYS A 65 -2.177 3.658 9.135 1.00 0.00 N ATOM 0 H LYS A 65 3.799 5.394 5.788 1.00 0.00 H new ATOM 0 HA LYS A 65 1.800 7.533 5.763 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.440 5.008 5.655 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.090 4.869 7.276 1.00 0.00 H new ATOM 0 HG2 LYS A 65 0.264 6.609 7.970 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -0.469 6.286 6.412 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -0.724 3.908 6.933 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.255 4.060 8.379 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.480 5.672 9.333 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -2.475 5.394 7.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -3.032 3.823 9.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -2.395 2.990 8.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -1.431 3.260 9.740 1.00 0.00 H new ATOM 1048 N GLU A 66 3.297 6.876 8.628 1.00 0.00 N ATOM 1049 CA GLU A 66 3.582 7.489 9.963 1.00 0.00 C ATOM 1050 C GLU A 66 4.346 8.809 9.800 1.00 0.00 C ATOM 1051 O GLU A 66 4.275 9.681 10.645 1.00 0.00 O ATOM 1052 CB GLU A 66 4.443 6.462 10.701 1.00 0.00 C ATOM 1053 CG GLU A 66 4.613 6.890 12.160 1.00 0.00 C ATOM 1054 CD GLU A 66 5.470 5.860 12.899 1.00 0.00 C ATOM 1055 OE1 GLU A 66 6.682 6.003 12.879 1.00 0.00 O ATOM 1056 OE2 GLU A 66 4.901 4.946 13.471 1.00 0.00 O ATOM 0 H GLU A 66 3.687 5.944 8.489 1.00 0.00 H new ATOM 0 HA GLU A 66 2.666 7.721 10.506 1.00 0.00 H new ATOM 0 HB2 GLU A 66 3.976 5.478 10.652 1.00 0.00 H new ATOM 0 HB3 GLU A 66 5.418 6.377 10.220 1.00 0.00 H new ATOM 0 HG2 GLU A 66 5.083 7.872 12.209 1.00 0.00 H new ATOM 0 HG3 GLU A 66 3.638 6.979 12.640 1.00 0.00 H new ATOM 1063 N LYS A 67 5.076 8.956 8.723 1.00 0.00 N ATOM 1064 CA LYS A 67 5.851 10.215 8.504 1.00 0.00 C ATOM 1065 C LYS A 67 4.954 11.306 7.905 1.00 0.00 C ATOM 1066 O LYS A 67 5.213 12.482 8.066 1.00 0.00 O ATOM 1067 CB LYS A 67 6.958 9.832 7.522 1.00 0.00 C ATOM 1068 CG LYS A 67 8.186 9.352 8.298 1.00 0.00 C ATOM 1069 CD LYS A 67 9.450 9.647 7.489 1.00 0.00 C ATOM 1070 CE LYS A 67 9.549 8.664 6.320 1.00 0.00 C ATOM 1071 NZ LYS A 67 10.586 9.241 5.420 1.00 0.00 N ATOM 0 H LYS A 67 5.169 8.258 7.985 1.00 0.00 H new ATOM 0 HA LYS A 67 6.249 10.616 9.436 1.00 0.00 H new ATOM 0 HB2 LYS A 67 6.608 9.047 6.852 1.00 0.00 H new ATOM 0 HB3 LYS A 67 7.219 10.688 6.900 1.00 0.00 H new ATOM 0 HG2 LYS A 67 8.236 9.852 9.265 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.109 8.283 8.495 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.425 10.671 7.116 1.00 0.00 H new ATOM 0 HD3 LYS A 67 10.330 9.561 8.126 1.00 0.00 H new ATOM 0 HE2 LYS A 67 9.833 7.669 6.663 1.00 0.00 H new ATOM 0 HE3 LYS A 67 8.593 8.563 5.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 10.711 8.623 4.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 10.285 10.185 5.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 11.487 9.319 5.934 1.00 0.00 H new ATOM 1085 N TYR A 68 3.903 10.922 7.226 1.00 0.00 N ATOM 1086 CA TYR A 68 2.976 11.933 6.616 1.00 0.00 C ATOM 1087 C TYR A 68 2.232 12.691 7.720 1.00 0.00 C ATOM 1088 O TYR A 68 2.070 13.894 7.666 1.00 0.00 O ATOM 1089 CB TYR A 68 1.994 11.106 5.781 1.00 0.00 C ATOM 1090 CG TYR A 68 1.213 11.999 4.846 1.00 0.00 C ATOM 1091 CD1 TYR A 68 1.881 12.794 3.907 1.00 0.00 C ATOM 1092 CD2 TYR A 68 -0.186 12.019 4.911 1.00 0.00 C ATOM 1093 CE1 TYR A 68 1.148 13.612 3.036 1.00 0.00 C ATOM 1094 CE2 TYR A 68 -0.917 12.833 4.039 1.00 0.00 C ATOM 1095 CZ TYR A 68 -0.250 13.630 3.101 1.00 0.00 C ATOM 1096 OH TYR A 68 -0.970 14.434 2.242 1.00 0.00 O ATOM 0 H TYR A 68 3.643 9.949 7.065 1.00 0.00 H new ATOM 0 HA TYR A 68 3.502 12.675 6.015 1.00 0.00 H new ATOM 0 HB2 TYR A 68 2.538 10.355 5.207 1.00 0.00 H new ATOM 0 HB3 TYR A 68 1.309 10.570 6.439 1.00 0.00 H new ATOM 0 HD1 TYR A 68 2.960 12.777 3.854 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -0.701 11.405 5.635 1.00 0.00 H new ATOM 0 HE1 TYR A 68 1.662 14.229 2.314 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -1.996 12.847 4.089 1.00 0.00 H new ATOM 0 HH TYR A 68 -0.382 14.760 1.529 1.00 0.00 H new ATOM 1106 N GLU A 69 1.778 11.979 8.715 1.00 0.00 N ATOM 1107 CA GLU A 69 1.030 12.624 9.844 1.00 0.00 C ATOM 1108 C GLU A 69 1.880 13.720 10.492 1.00 0.00 C ATOM 1109 O GLU A 69 1.369 14.734 10.930 1.00 0.00 O ATOM 1110 CB GLU A 69 0.757 11.496 10.842 1.00 0.00 C ATOM 1111 CG GLU A 69 -0.201 10.480 10.216 1.00 0.00 C ATOM 1112 CD GLU A 69 -0.813 9.610 11.316 1.00 0.00 C ATOM 1113 OE1 GLU A 69 -1.762 10.058 11.938 1.00 0.00 O ATOM 1114 OE2 GLU A 69 -0.322 8.512 11.518 1.00 0.00 O ATOM 0 H GLU A 69 1.892 10.969 8.799 1.00 0.00 H new ATOM 0 HA GLU A 69 0.109 13.098 9.505 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.691 11.008 11.119 1.00 0.00 H new ATOM 0 HB3 GLU A 69 0.326 11.902 11.757 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.988 10.997 9.667 1.00 0.00 H new ATOM 0 HG3 GLU A 69 0.332 9.856 9.498 1.00 0.00 H new ATOM 1121 N LYS A 70 3.173 13.529 10.538 1.00 0.00 N ATOM 1122 CA LYS A 70 4.067 14.564 11.136 1.00 0.00 C ATOM 1123 C LYS A 70 4.442 15.567 10.049 1.00 0.00 C ATOM 1124 O LYS A 70 4.559 16.755 10.289 1.00 0.00 O ATOM 1125 CB LYS A 70 5.301 13.800 11.619 1.00 0.00 C ATOM 1126 CG LYS A 70 4.894 12.814 12.716 1.00 0.00 C ATOM 1127 CD LYS A 70 6.077 12.580 13.656 1.00 0.00 C ATOM 1128 CE LYS A 70 5.608 11.792 14.881 1.00 0.00 C ATOM 1129 NZ LYS A 70 6.585 12.130 15.952 1.00 0.00 N ATOM 0 H LYS A 70 3.649 12.698 10.186 1.00 0.00 H new ATOM 0 HA LYS A 70 3.602 15.114 11.954 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.760 13.266 10.787 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.047 14.497 12.000 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.044 13.206 13.275 1.00 0.00 H new ATOM 0 HG3 LYS A 70 4.576 11.871 12.272 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.864 12.032 13.138 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.503 13.534 13.966 1.00 0.00 H new ATOM 0 HE2 LYS A 70 4.595 12.074 15.168 1.00 0.00 H new ATOM 0 HE3 LYS A 70 5.596 10.721 14.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 6.330 11.627 16.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 7.540 11.844 15.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 6.569 13.155 16.126 1.00 0.00 H new ATOM 1143 N ASP A 71 4.607 15.085 8.847 1.00 0.00 N ATOM 1144 CA ASP A 71 4.948 15.986 7.707 1.00 0.00 C ATOM 1145 C ASP A 71 3.790 16.954 7.471 1.00 0.00 C ATOM 1146 O ASP A 71 3.953 18.158 7.499 1.00 0.00 O ATOM 1147 CB ASP A 71 5.118 15.054 6.503 1.00 0.00 C ATOM 1148 CG ASP A 71 6.607 14.804 6.251 1.00 0.00 C ATOM 1149 OD1 ASP A 71 7.228 14.161 7.081 1.00 0.00 O ATOM 1150 OD2 ASP A 71 7.099 15.260 5.233 1.00 0.00 O ATOM 0 H ASP A 71 4.520 14.098 8.603 1.00 0.00 H new ATOM 0 HA ASP A 71 5.845 16.578 7.888 1.00 0.00 H new ATOM 0 HB2 ASP A 71 4.607 14.109 6.687 1.00 0.00 H new ATOM 0 HB3 ASP A 71 4.659 15.498 5.620 1.00 0.00 H new ATOM 1155 N ILE A 72 2.621 16.421 7.234 1.00 0.00 N ATOM 1156 CA ILE A 72 1.427 17.286 6.988 1.00 0.00 C ATOM 1157 C ILE A 72 1.161 18.184 8.207 1.00 0.00 C ATOM 1158 O ILE A 72 0.689 19.296 8.069 1.00 0.00 O ATOM 1159 CB ILE A 72 0.270 16.292 6.751 1.00 0.00 C ATOM 1160 CG1 ILE A 72 0.428 15.657 5.364 1.00 0.00 C ATOM 1161 CG2 ILE A 72 -1.097 16.994 6.837 1.00 0.00 C ATOM 1162 CD1 ILE A 72 0.354 16.729 4.265 1.00 0.00 C ATOM 0 H ILE A 72 2.440 15.418 7.200 1.00 0.00 H new ATOM 0 HA ILE A 72 1.557 17.959 6.141 1.00 0.00 H new ATOM 0 HB ILE A 72 0.310 15.527 7.526 1.00 0.00 H new ATOM 0 HG12 ILE A 72 1.382 15.133 5.305 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.354 14.914 5.207 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -1.891 16.267 6.666 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.217 17.436 7.826 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.152 17.777 6.080 1.00 0.00 H new ATOM 0 HD11 ILE A 72 0.468 16.258 3.289 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.611 17.234 4.314 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.152 17.457 4.412 1.00 0.00 H new ATOM 1174 N ALA A 73 1.452 17.709 9.391 1.00 0.00 N ATOM 1175 CA ALA A 73 1.206 18.536 10.614 1.00 0.00 C ATOM 1176 C ALA A 73 2.085 19.788 10.598 1.00 0.00 C ATOM 1177 O ALA A 73 1.602 20.897 10.736 1.00 0.00 O ATOM 1178 CB ALA A 73 1.580 17.636 11.794 1.00 0.00 C ATOM 0 H ALA A 73 1.849 16.786 9.565 1.00 0.00 H new ATOM 0 HA ALA A 73 0.172 18.875 10.673 1.00 0.00 H new ATOM 0 HB1 ALA A 73 1.425 18.177 12.728 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.954 16.743 11.783 1.00 0.00 H new ATOM 0 HB3 ALA A 73 2.628 17.346 11.713 1.00 0.00 H new ATOM 1184 N ALA A 74 3.372 19.618 10.437 1.00 0.00 N ATOM 1185 CA ALA A 74 4.293 20.798 10.418 1.00 0.00 C ATOM 1186 C ALA A 74 4.066 21.621 9.150 1.00 0.00 C ATOM 1187 O ALA A 74 4.283 22.819 9.130 1.00 0.00 O ATOM 1188 CB ALA A 74 5.705 20.209 10.428 1.00 0.00 C ATOM 0 H ALA A 74 3.827 18.713 10.318 1.00 0.00 H new ATOM 0 HA ALA A 74 4.126 21.462 11.266 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.436 21.017 10.415 1.00 0.00 H new ATOM 0 HB2 ALA A 74 5.843 19.609 11.328 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.843 19.580 9.548 1.00 0.00 H new ATOM 1194 N TYR A 75 3.623 20.987 8.095 1.00 0.00 N ATOM 1195 CA TYR A 75 3.367 21.728 6.828 1.00 0.00 C ATOM 1196 C TYR A 75 1.977 22.371 6.859 1.00 0.00 C ATOM 1197 O TYR A 75 1.698 23.289 6.110 1.00 0.00 O ATOM 1198 CB TYR A 75 3.447 20.674 5.724 1.00 0.00 C ATOM 1199 CG TYR A 75 3.862 21.338 4.434 1.00 0.00 C ATOM 1200 CD1 TYR A 75 2.903 21.966 3.630 1.00 0.00 C ATOM 1201 CD2 TYR A 75 5.206 21.331 4.044 1.00 0.00 C ATOM 1202 CE1 TYR A 75 3.289 22.588 2.437 1.00 0.00 C ATOM 1203 CE2 TYR A 75 5.593 21.951 2.850 1.00 0.00 C ATOM 1204 CZ TYR A 75 4.634 22.580 2.047 1.00 0.00 C ATOM 1205 OH TYR A 75 5.014 23.194 0.871 1.00 0.00 O ATOM 0 H TYR A 75 3.428 19.987 8.058 1.00 0.00 H new ATOM 0 HA TYR A 75 4.085 22.534 6.672 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.164 19.899 5.995 1.00 0.00 H new ATOM 0 HB3 TYR A 75 2.481 20.185 5.601 1.00 0.00 H new ATOM 0 HD1 TYR A 75 1.866 21.970 3.930 1.00 0.00 H new ATOM 0 HD2 TYR A 75 5.945 20.847 4.665 1.00 0.00 H new ATOM 0 HE1 TYR A 75 2.550 23.074 1.817 1.00 0.00 H new ATOM 0 HE2 TYR A 75 6.630 21.944 2.549 1.00 0.00 H new ATOM 0 HH TYR A 75 4.281 23.140 0.222 1.00 0.00 H new ATOM 1215 N ARG A 76 1.102 21.902 7.720 1.00 0.00 N ATOM 1216 CA ARG A 76 -0.269 22.497 7.792 1.00 0.00 C ATOM 1217 C ARG A 76 -0.181 23.977 8.185 1.00 0.00 C ATOM 1218 O ARG A 76 -0.444 24.853 7.382 1.00 0.00 O ATOM 1219 CB ARG A 76 -1.010 21.689 8.861 1.00 0.00 C ATOM 1220 CG ARG A 76 -2.451 22.189 8.970 1.00 0.00 C ATOM 1221 CD ARG A 76 -3.336 21.081 9.544 1.00 0.00 C ATOM 1222 NE ARG A 76 -3.561 20.144 8.408 1.00 0.00 N ATOM 1223 CZ ARG A 76 -4.730 19.589 8.242 1.00 0.00 C ATOM 1224 NH1 ARG A 76 -5.792 20.334 8.102 1.00 0.00 N ATOM 1225 NH2 ARG A 76 -4.837 18.288 8.216 1.00 0.00 N ATOM 0 H ARG A 76 1.278 21.137 8.372 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.787 22.455 6.834 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.000 20.630 8.604 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -0.506 21.788 9.822 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.493 23.070 9.610 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -2.818 22.490 7.989 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -2.849 20.579 10.380 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -4.278 21.482 9.918 1.00 0.00 H new ATOM 0 HE ARG A 76 -2.801 19.936 7.760 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -5.708 21.350 8.122 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -6.706 19.900 7.972 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -4.007 17.706 8.325 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -5.751 17.854 8.086 1.00 0.00 H new ATOM 1239 N ALA A 77 0.184 24.261 9.412 1.00 0.00 N ATOM 1240 CA ALA A 77 0.289 25.684 9.856 1.00 0.00 C ATOM 1241 C ALA A 77 1.755 26.077 10.037 1.00 0.00 C ATOM 1242 O ALA A 77 2.130 27.220 9.859 1.00 0.00 O ATOM 1243 CB ALA A 77 -0.452 25.739 11.192 1.00 0.00 C ATOM 0 H ALA A 77 0.413 23.568 10.124 1.00 0.00 H new ATOM 0 HA ALA A 77 -0.135 26.375 9.127 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.420 26.755 11.584 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.490 25.440 11.045 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.024 25.061 11.900 1.00 0.00 H new ATOM 1249 N LYS A 78 2.585 25.131 10.391 1.00 0.00 N ATOM 1250 CA LYS A 78 4.045 25.418 10.595 1.00 0.00 C ATOM 1251 C LYS A 78 4.238 26.589 11.567 1.00 0.00 C ATOM 1252 O LYS A 78 5.323 27.146 11.583 1.00 0.00 O ATOM 1253 CB LYS A 78 4.587 25.777 9.208 1.00 0.00 C ATOM 1254 CG LYS A 78 6.116 25.718 9.227 1.00 0.00 C ATOM 1255 CD LYS A 78 6.637 25.506 7.804 1.00 0.00 C ATOM 1256 CE LYS A 78 6.853 26.863 7.132 1.00 0.00 C ATOM 1257 NZ LYS A 78 5.589 27.130 6.389 1.00 0.00 N ATOM 1258 OXT LYS A 78 3.298 26.905 12.277 1.00 0.00 O ATOM 0 H LYS A 78 2.315 24.160 10.550 1.00 0.00 H new ATOM 0 HA LYS A 78 4.567 24.564 11.027 1.00 0.00 H new ATOM 0 HB2 LYS A 78 4.195 25.085 8.462 1.00 0.00 H new ATOM 0 HB3 LYS A 78 4.254 26.775 8.923 1.00 0.00 H new ATOM 0 HG2 LYS A 78 6.521 26.642 9.640 1.00 0.00 H new ATOM 0 HG3 LYS A 78 6.451 24.906 9.873 1.00 0.00 H new ATOM 0 HD2 LYS A 78 7.572 24.947 7.827 1.00 0.00 H new ATOM 0 HD3 LYS A 78 5.925 24.913 7.229 1.00 0.00 H new ATOM 0 HE2 LYS A 78 7.050 27.642 7.869 1.00 0.00 H new ATOM 0 HE3 LYS A 78 7.709 26.838 6.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 5.762 27.045 5.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 4.865 26.440 6.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 5.256 28.091 6.605 1.00 0.00 H new TER 1272 LYS A 78