USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 721 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 68 HIS : no HE2:sc= 0.37 K(o=1.5,f=-4.4!) USER MOD Set 1.2: A 72 LYS NZ :NH3+ 180:sc= 1.09 (180deg=1.09) USER MOD Set 2.1: A 30 HIS : no HD1:sc= -1.27 K(o=-0.68,f=0.31) USER MOD Set 2.2: A 31 ASN : amide:sc= 0.588 K(o=-0.68,f=-8.8!) USER MOD Set 2.3: A 32 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 18 GLN : amide:sc= -0.425! C(o=1.9!,f=-19!) USER MOD Set 3.2: A 21 LYS NZ :NH3+ 136:sc= 2.28 (180deg=0.825) USER MOD Single : A 1 SER N :NH3+ -141:sc= 0.0059 (180deg=-0.0548) USER MOD Single : A 1 SER OG : rot -130:sc= 0.998 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 MET CE :methyl 162:sc= 0 (180deg=-0.243) USER MOD Single : A 9 ASN : amide:sc= -2.15! K(o=-2.2!,f=-0.56) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 67:sc= 0.374 USER MOD Single : A 22 MET CE :methyl -153:sc= 0 (180deg=-0.184) USER MOD Single : A 24 GLN : amide:sc= -0.471 X(o=-0.47,f=-0.035) USER MOD Single : A 26 ASN : amide:sc= 0.391 K(o=0.39,f=-0.23) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 MET CE :methyl -121:sc= -1.03 (180deg=-1.93) USER MOD Single : A 35 SER OG : rot 69:sc= 1.2 USER MOD Single : A 36 LYS NZ :NH3+ -171:sc= -0.0241 (180deg=-0.169) USER MOD Single : A 43 LYS NZ :NH3+ 172:sc=-0.00867 (180deg=-0.0888) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -147:sc= -1.16! (180deg=-3.66!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HE2:sc= -1.32 K(o=-1.3,f=-2.7) USER MOD Single : A 65 MET CE :methyl -158:sc= -0.142 (180deg=-0.73) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 150:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc=-0.00306 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 44:sc= 0.352 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -9.173 1.045 -26.201 1.00 0.00 N ATOM 2 CA SER A 1 -9.984 2.273 -26.080 1.00 0.00 C ATOM 3 C SER A 1 -9.591 3.029 -24.819 1.00 0.00 C ATOM 4 O SER A 1 -9.501 2.448 -23.734 1.00 0.00 O ATOM 5 CB SER A 1 -11.482 1.931 -26.071 1.00 0.00 C ATOM 6 OG SER A 1 -11.802 0.985 -25.058 1.00 0.00 O ATOM 0 H1 SER A 1 -8.917 0.895 -27.198 1.00 0.00 H new ATOM 0 H2 SER A 1 -8.308 1.143 -25.632 1.00 0.00 H new ATOM 0 H3 SER A 1 -9.722 0.231 -25.858 1.00 0.00 H new ATOM 0 HA SER A 1 -9.792 2.912 -26.942 1.00 0.00 H new ATOM 0 HB2 SER A 1 -12.062 2.841 -25.915 1.00 0.00 H new ATOM 0 HB3 SER A 1 -11.770 1.533 -27.044 1.00 0.00 H new ATOM 0 HG SER A 1 -12.329 0.256 -25.446 1.00 0.00 H new ATOM 14 N ASP A 2 -9.340 4.321 -24.967 1.00 0.00 N ATOM 15 CA ASP A 2 -8.870 5.135 -23.856 1.00 0.00 C ATOM 16 C ASP A 2 -10.043 5.810 -23.160 1.00 0.00 C ATOM 17 O ASP A 2 -10.748 6.623 -23.759 1.00 0.00 O ATOM 18 CB ASP A 2 -7.877 6.189 -24.347 1.00 0.00 C ATOM 19 CG ASP A 2 -6.992 6.692 -23.233 1.00 0.00 C ATOM 20 OD1 ASP A 2 -5.917 6.089 -23.010 1.00 0.00 O ATOM 21 OD2 ASP A 2 -7.361 7.677 -22.562 1.00 0.00 O ATOM 0 H ASP A 2 -9.454 4.828 -25.845 1.00 0.00 H new ATOM 0 HA ASP A 2 -8.365 4.483 -23.143 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -7.259 5.764 -25.138 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -8.422 7.026 -24.783 1.00 0.00 H new ATOM 26 N ARG A 3 -10.268 5.458 -21.902 1.00 0.00 N ATOM 27 CA ARG A 3 -11.400 5.988 -21.158 1.00 0.00 C ATOM 28 C ARG A 3 -10.998 6.400 -19.744 1.00 0.00 C ATOM 29 O ARG A 3 -10.429 5.612 -18.983 1.00 0.00 O ATOM 30 CB ARG A 3 -12.530 4.958 -21.127 1.00 0.00 C ATOM 31 CG ARG A 3 -12.132 3.623 -20.520 1.00 0.00 C ATOM 32 CD ARG A 3 -13.205 2.576 -20.741 1.00 0.00 C ATOM 33 NE ARG A 3 -13.271 2.142 -22.138 1.00 0.00 N ATOM 34 CZ ARG A 3 -14.407 1.961 -22.810 1.00 0.00 C ATOM 35 NH1 ARG A 3 -15.565 2.287 -22.256 1.00 0.00 N ATOM 36 NH2 ARG A 3 -14.378 1.491 -24.048 1.00 0.00 N ATOM 0 H ARG A 3 -9.682 4.809 -21.377 1.00 0.00 H new ATOM 0 HA ARG A 3 -11.754 6.885 -21.666 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -13.366 5.368 -20.561 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -12.885 4.792 -22.144 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -11.195 3.285 -20.962 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -11.955 3.745 -19.451 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -13.007 1.715 -20.103 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -14.172 2.980 -20.441 1.00 0.00 H new ATOM 0 HE ARG A 3 -12.393 1.967 -22.627 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -15.588 2.677 -21.314 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -16.434 2.148 -22.772 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -13.485 1.267 -24.488 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -15.248 1.353 -24.562 1.00 0.00 H new ATOM 50 N VAL A 4 -11.281 7.647 -19.401 1.00 0.00 N ATOM 51 CA VAL A 4 -11.004 8.154 -18.064 1.00 0.00 C ATOM 52 C VAL A 4 -12.215 7.934 -17.164 1.00 0.00 C ATOM 53 O VAL A 4 -13.353 7.979 -17.628 1.00 0.00 O ATOM 54 CB VAL A 4 -10.649 9.657 -18.087 1.00 0.00 C ATOM 55 CG1 VAL A 4 -10.134 10.122 -16.731 1.00 0.00 C ATOM 56 CG2 VAL A 4 -9.630 9.956 -19.173 1.00 0.00 C ATOM 0 H VAL A 4 -11.703 8.329 -20.031 1.00 0.00 H new ATOM 0 HA VAL A 4 -10.146 7.607 -17.674 1.00 0.00 H new ATOM 0 HB VAL A 4 -11.562 10.209 -18.310 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -9.892 11.184 -16.778 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -10.901 9.958 -15.975 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -9.239 9.558 -16.469 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -9.396 11.021 -19.169 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -8.721 9.384 -18.986 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -10.041 9.678 -20.144 1.00 0.00 H new ATOM 66 N LYS A 5 -11.963 7.691 -15.885 1.00 0.00 N ATOM 67 CA LYS A 5 -13.023 7.402 -14.926 1.00 0.00 C ATOM 68 C LYS A 5 -12.641 7.898 -13.535 1.00 0.00 C ATOM 69 O LYS A 5 -11.459 8.079 -13.233 1.00 0.00 O ATOM 70 CB LYS A 5 -13.319 5.894 -14.874 1.00 0.00 C ATOM 71 CG LYS A 5 -14.141 5.352 -16.042 1.00 0.00 C ATOM 72 CD LYS A 5 -15.646 5.502 -15.811 1.00 0.00 C ATOM 73 CE LYS A 5 -16.115 6.949 -15.905 1.00 0.00 C ATOM 74 NZ LYS A 5 -17.575 7.084 -15.656 1.00 0.00 N ATOM 0 H LYS A 5 -11.025 7.688 -15.484 1.00 0.00 H new ATOM 0 HA LYS A 5 -13.921 7.925 -15.256 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -12.372 5.355 -14.836 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -13.848 5.675 -13.946 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -13.862 5.878 -16.955 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -13.902 4.299 -16.194 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -16.184 4.902 -16.545 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -15.900 5.105 -14.828 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -15.568 7.554 -15.182 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -15.879 7.342 -16.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -17.849 8.085 -15.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -18.100 6.528 -16.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -17.798 6.734 -14.703 1.00 0.00 H new ATOM 88 N ARG A 6 -13.656 8.120 -12.709 1.00 0.00 N ATOM 89 CA ARG A 6 -13.468 8.545 -11.326 1.00 0.00 C ATOM 90 C ARG A 6 -12.938 7.400 -10.466 1.00 0.00 C ATOM 91 O ARG A 6 -13.176 6.227 -10.766 1.00 0.00 O ATOM 92 CB ARG A 6 -14.798 9.051 -10.748 1.00 0.00 C ATOM 93 CG ARG A 6 -15.943 8.057 -10.901 1.00 0.00 C ATOM 94 CD ARG A 6 -17.215 8.543 -10.220 1.00 0.00 C ATOM 95 NE ARG A 6 -17.123 8.486 -8.761 1.00 0.00 N ATOM 96 CZ ARG A 6 -18.177 8.344 -7.950 1.00 0.00 C ATOM 97 NH1 ARG A 6 -19.401 8.224 -8.457 1.00 0.00 N ATOM 98 NH2 ARG A 6 -18.004 8.308 -6.635 1.00 0.00 N ATOM 0 H ARG A 6 -14.634 8.011 -12.979 1.00 0.00 H new ATOM 0 HA ARG A 6 -12.734 9.351 -11.317 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -14.663 9.278 -9.690 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -15.069 9.984 -11.242 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -16.140 7.891 -11.960 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -15.649 7.097 -10.477 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -17.420 9.568 -10.529 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -18.057 7.935 -10.552 1.00 0.00 H new ATOM 0 HE ARG A 6 -16.198 8.559 -8.336 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -19.538 8.240 -9.468 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -20.202 8.116 -7.835 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -17.066 8.389 -6.242 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -18.809 8.200 -6.018 1.00 0.00 H new ATOM 112 N PRO A 7 -12.199 7.730 -9.394 1.00 0.00 N ATOM 113 CA PRO A 7 -11.734 6.747 -8.413 1.00 0.00 C ATOM 114 C PRO A 7 -12.900 6.114 -7.657 1.00 0.00 C ATOM 115 O PRO A 7 -13.942 6.747 -7.454 1.00 0.00 O ATOM 116 CB PRO A 7 -10.863 7.566 -7.450 1.00 0.00 C ATOM 117 CG PRO A 7 -10.566 8.836 -8.170 1.00 0.00 C ATOM 118 CD PRO A 7 -11.746 9.088 -9.060 1.00 0.00 C ATOM 0 HA PRO A 7 -11.198 5.923 -8.885 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -11.386 7.758 -6.513 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -9.946 7.033 -7.199 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -10.423 9.658 -7.469 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -9.649 8.750 -8.752 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -12.522 9.659 -8.550 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -11.468 9.652 -9.950 1.00 0.00 H new ATOM 126 N MET A 8 -12.720 4.871 -7.242 1.00 0.00 N ATOM 127 CA MET A 8 -13.737 4.159 -6.478 1.00 0.00 C ATOM 128 C MET A 8 -13.750 4.667 -5.040 1.00 0.00 C ATOM 129 O MET A 8 -12.895 5.462 -4.659 1.00 0.00 O ATOM 130 CB MET A 8 -13.485 2.648 -6.514 1.00 0.00 C ATOM 131 CG MET A 8 -14.713 1.837 -6.917 1.00 0.00 C ATOM 132 SD MET A 8 -16.128 2.115 -5.833 1.00 0.00 S ATOM 133 CE MET A 8 -17.370 1.094 -6.622 1.00 0.00 C ATOM 0 H MET A 8 -11.875 4.329 -7.422 1.00 0.00 H new ATOM 0 HA MET A 8 -14.711 4.347 -6.929 1.00 0.00 H new ATOM 0 HB2 MET A 8 -12.675 2.439 -7.213 1.00 0.00 H new ATOM 0 HB3 MET A 8 -13.149 2.320 -5.530 1.00 0.00 H new ATOM 0 HG2 MET A 8 -14.990 2.092 -7.940 1.00 0.00 H new ATOM 0 HG3 MET A 8 -14.460 0.777 -6.910 1.00 0.00 H new ATOM 0 HE1 MET A 8 -18.182 0.902 -5.921 1.00 0.00 H new ATOM 0 HE2 MET A 8 -17.762 1.610 -7.499 1.00 0.00 H new ATOM 0 HE3 MET A 8 -16.923 0.148 -6.927 1.00 0.00 H new ATOM 143 N ASN A 9 -14.739 4.255 -4.262 1.00 0.00 N ATOM 144 CA ASN A 9 -14.816 4.660 -2.868 1.00 0.00 C ATOM 145 C ASN A 9 -13.710 4.000 -2.046 1.00 0.00 C ATOM 146 O ASN A 9 -13.184 2.946 -2.421 1.00 0.00 O ATOM 147 CB ASN A 9 -16.209 4.369 -2.270 1.00 0.00 C ATOM 148 CG ASN A 9 -16.665 2.919 -2.370 1.00 0.00 C ATOM 149 OD1 ASN A 9 -17.861 2.645 -2.456 1.00 0.00 O ATOM 150 ND2 ASN A 9 -15.733 1.989 -2.365 1.00 0.00 N ATOM 0 H ASN A 9 -15.495 3.644 -4.570 1.00 0.00 H new ATOM 0 HA ASN A 9 -14.665 5.739 -2.828 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -16.205 4.661 -1.220 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -16.942 5.000 -2.773 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -15.994 1.005 -2.434 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -14.750 2.252 -2.292 1.00 0.00 H new ATOM 157 N ALA A 10 -13.405 4.617 -0.915 1.00 0.00 N ATOM 158 CA ALA A 10 -12.280 4.254 -0.058 1.00 0.00 C ATOM 159 C ALA A 10 -12.102 2.747 0.204 1.00 0.00 C ATOM 160 O ALA A 10 -10.970 2.274 0.230 1.00 0.00 O ATOM 161 CB ALA A 10 -12.439 4.977 1.268 1.00 0.00 C ATOM 0 H ALA A 10 -13.945 5.404 -0.556 1.00 0.00 H new ATOM 0 HA ALA A 10 -11.382 4.554 -0.598 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -11.608 4.720 1.925 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -12.446 6.053 1.097 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -13.377 4.677 1.736 1.00 0.00 H new ATOM 167 N PHE A 11 -13.181 1.986 0.395 1.00 0.00 N ATOM 168 CA PHE A 11 -13.028 0.580 0.804 1.00 0.00 C ATOM 169 C PHE A 11 -12.276 -0.237 -0.251 1.00 0.00 C ATOM 170 O PHE A 11 -11.266 -0.884 0.050 1.00 0.00 O ATOM 171 CB PHE A 11 -14.389 -0.072 1.082 1.00 0.00 C ATOM 172 CG PHE A 11 -14.269 -1.460 1.657 1.00 0.00 C ATOM 173 CD1 PHE A 11 -13.980 -1.638 3.000 1.00 0.00 C ATOM 174 CD2 PHE A 11 -14.424 -2.580 0.855 1.00 0.00 C ATOM 175 CE1 PHE A 11 -13.851 -2.905 3.534 1.00 0.00 C ATOM 176 CE2 PHE A 11 -14.290 -3.852 1.383 1.00 0.00 C ATOM 177 CZ PHE A 11 -14.004 -4.014 2.727 1.00 0.00 C ATOM 0 H PHE A 11 -14.144 2.302 0.279 1.00 0.00 H new ATOM 0 HA PHE A 11 -12.443 0.584 1.724 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -14.952 0.555 1.774 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -14.961 -0.117 0.155 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -13.854 -0.775 3.637 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -14.652 -2.458 -0.194 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -13.630 -3.028 4.584 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -14.408 -4.717 0.747 1.00 0.00 H new ATOM 0 HZ PHE A 11 -13.901 -5.005 3.143 1.00 0.00 H new ATOM 187 N MET A 12 -12.737 -0.168 -1.494 1.00 0.00 N ATOM 188 CA MET A 12 -12.092 -0.899 -2.581 1.00 0.00 C ATOM 189 C MET A 12 -10.742 -0.271 -2.880 1.00 0.00 C ATOM 190 O MET A 12 -9.770 -0.958 -3.206 1.00 0.00 O ATOM 191 CB MET A 12 -12.975 -0.897 -3.832 1.00 0.00 C ATOM 192 CG MET A 12 -14.307 -1.602 -3.630 1.00 0.00 C ATOM 193 SD MET A 12 -15.333 -1.583 -5.109 1.00 0.00 S ATOM 194 CE MET A 12 -16.784 -2.453 -4.524 1.00 0.00 C ATOM 0 H MET A 12 -13.549 0.382 -1.775 1.00 0.00 H new ATOM 0 HA MET A 12 -11.945 -1.935 -2.276 1.00 0.00 H new ATOM 0 HB2 MET A 12 -13.160 0.133 -4.136 1.00 0.00 H new ATOM 0 HB3 MET A 12 -12.437 -1.379 -4.649 1.00 0.00 H new ATOM 0 HG2 MET A 12 -14.126 -2.635 -3.332 1.00 0.00 H new ATOM 0 HG3 MET A 12 -14.846 -1.124 -2.812 1.00 0.00 H new ATOM 0 HE1 MET A 12 -17.515 -2.523 -5.329 1.00 0.00 H new ATOM 0 HE2 MET A 12 -16.502 -3.455 -4.202 1.00 0.00 H new ATOM 0 HE3 MET A 12 -17.219 -1.911 -3.684 1.00 0.00 H new ATOM 204 N VAL A 13 -10.700 1.043 -2.724 1.00 0.00 N ATOM 205 CA VAL A 13 -9.488 1.815 -2.893 1.00 0.00 C ATOM 206 C VAL A 13 -8.391 1.294 -1.999 1.00 0.00 C ATOM 207 O VAL A 13 -7.290 1.045 -2.451 1.00 0.00 O ATOM 208 CB VAL A 13 -9.714 3.299 -2.567 1.00 0.00 C ATOM 209 CG1 VAL A 13 -8.389 4.022 -2.472 1.00 0.00 C ATOM 210 CG2 VAL A 13 -10.582 3.942 -3.625 1.00 0.00 C ATOM 0 H VAL A 13 -11.515 1.604 -2.475 1.00 0.00 H new ATOM 0 HA VAL A 13 -9.196 1.716 -3.939 1.00 0.00 H new ATOM 0 HB VAL A 13 -10.223 3.370 -1.606 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.564 5.073 -2.241 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.785 3.572 -1.684 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -7.862 3.943 -3.423 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -10.734 4.993 -3.381 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -10.092 3.862 -4.596 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -11.546 3.435 -3.662 1.00 0.00 H new ATOM 220 N TRP A 14 -8.699 1.132 -0.729 1.00 0.00 N ATOM 221 CA TRP A 14 -7.712 0.680 0.219 1.00 0.00 C ATOM 222 C TRP A 14 -7.287 -0.737 -0.101 1.00 0.00 C ATOM 223 O TRP A 14 -6.155 -1.118 0.156 1.00 0.00 O ATOM 224 CB TRP A 14 -8.250 0.766 1.638 1.00 0.00 C ATOM 225 CG TRP A 14 -7.295 1.420 2.591 1.00 0.00 C ATOM 226 CD1 TRP A 14 -6.520 2.517 2.350 1.00 0.00 C ATOM 227 CD2 TRP A 14 -7.039 1.035 3.942 1.00 0.00 C ATOM 228 NE1 TRP A 14 -5.785 2.830 3.466 1.00 0.00 N ATOM 229 CE2 TRP A 14 -6.086 1.933 4.460 1.00 0.00 C ATOM 230 CE3 TRP A 14 -7.518 0.014 4.764 1.00 0.00 C ATOM 231 CZ2 TRP A 14 -5.609 1.839 5.763 1.00 0.00 C ATOM 232 CZ3 TRP A 14 -7.046 -0.077 6.056 1.00 0.00 C ATOM 233 CH2 TRP A 14 -6.100 0.827 6.544 1.00 0.00 C ATOM 0 H TRP A 14 -9.623 1.307 -0.334 1.00 0.00 H new ATOM 0 HA TRP A 14 -6.841 1.331 0.145 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -9.187 1.324 1.632 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -8.479 -0.238 1.995 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -6.489 3.060 1.417 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -5.124 3.603 3.544 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -8.246 -0.693 4.394 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -4.879 2.538 6.144 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -7.414 -0.861 6.702 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -5.748 0.726 7.560 1.00 0.00 H new ATOM 244 N SER A 15 -8.176 -1.517 -0.695 1.00 0.00 N ATOM 245 CA SER A 15 -7.812 -2.873 -1.042 1.00 0.00 C ATOM 246 C SER A 15 -6.682 -2.867 -2.077 1.00 0.00 C ATOM 247 O SER A 15 -5.575 -3.342 -1.803 1.00 0.00 O ATOM 248 CB SER A 15 -9.029 -3.629 -1.579 1.00 0.00 C ATOM 249 OG SER A 15 -10.106 -3.579 -0.656 1.00 0.00 O ATOM 0 H SER A 15 -9.127 -1.242 -0.940 1.00 0.00 H new ATOM 0 HA SER A 15 -7.459 -3.383 -0.146 1.00 0.00 H new ATOM 0 HB2 SER A 15 -9.340 -3.196 -2.530 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.760 -4.667 -1.774 1.00 0.00 H new ATOM 0 HG SER A 15 -10.430 -2.657 -0.581 1.00 0.00 H new ATOM 255 N ARG A 16 -6.935 -2.266 -3.236 1.00 0.00 N ATOM 256 CA ARG A 16 -5.950 -2.275 -4.318 1.00 0.00 C ATOM 257 C ARG A 16 -4.863 -1.219 -4.123 1.00 0.00 C ATOM 258 O ARG A 16 -3.687 -1.466 -4.395 1.00 0.00 O ATOM 259 CB ARG A 16 -6.624 -2.100 -5.678 1.00 0.00 C ATOM 260 CG ARG A 16 -7.398 -3.330 -6.121 1.00 0.00 C ATOM 261 CD ARG A 16 -7.808 -3.238 -7.581 1.00 0.00 C ATOM 262 NE ARG A 16 -8.448 -4.470 -8.043 1.00 0.00 N ATOM 263 CZ ARG A 16 -8.392 -4.916 -9.297 1.00 0.00 C ATOM 264 NH1 ARG A 16 -7.676 -4.263 -10.210 1.00 0.00 N ATOM 265 NH2 ARG A 16 -9.026 -6.033 -9.625 1.00 0.00 N ATOM 0 H ARG A 16 -7.801 -1.772 -3.451 1.00 0.00 H new ATOM 0 HA ARG A 16 -5.466 -3.251 -4.290 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -7.302 -1.248 -5.634 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -5.866 -1.866 -6.425 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -6.786 -4.219 -5.970 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -8.286 -3.445 -5.500 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -8.493 -2.400 -7.714 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -6.930 -3.033 -8.193 1.00 0.00 H new ATOM 0 HE ARG A 16 -8.970 -5.022 -7.362 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -7.168 -3.418 -9.950 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -7.636 -4.608 -11.169 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -9.553 -6.546 -8.919 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -8.987 -6.379 -10.584 1.00 0.00 H new ATOM 279 N GLY A 17 -5.263 -0.055 -3.649 1.00 0.00 N ATOM 280 CA GLY A 17 -4.356 1.067 -3.520 1.00 0.00 C ATOM 281 C GLY A 17 -3.385 0.902 -2.374 1.00 0.00 C ATOM 282 O GLY A 17 -2.179 1.083 -2.553 1.00 0.00 O ATOM 0 H GLY A 17 -6.217 0.138 -3.345 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -3.799 1.187 -4.449 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.933 1.980 -3.374 1.00 0.00 H new ATOM 286 N GLN A 18 -3.901 0.538 -1.202 1.00 0.00 N ATOM 287 CA GLN A 18 -3.048 0.332 -0.040 1.00 0.00 C ATOM 288 C GLN A 18 -2.142 -0.859 -0.299 1.00 0.00 C ATOM 289 O GLN A 18 -0.973 -0.841 0.068 1.00 0.00 O ATOM 290 CB GLN A 18 -3.885 0.123 1.226 1.00 0.00 C ATOM 291 CG GLN A 18 -3.103 0.203 2.530 1.00 0.00 C ATOM 292 CD GLN A 18 -2.258 1.451 2.630 1.00 0.00 C ATOM 293 OE1 GLN A 18 -1.082 1.455 2.273 1.00 0.00 O ATOM 294 NE2 GLN A 18 -2.856 2.519 3.113 1.00 0.00 N ATOM 0 H GLN A 18 -4.895 0.382 -1.035 1.00 0.00 H new ATOM 0 HA GLN A 18 -2.437 1.220 0.122 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -4.678 0.871 1.248 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -4.368 -0.852 1.168 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.799 0.173 3.368 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -2.461 -0.673 2.617 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -3.834 2.471 3.397 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -2.341 3.395 3.203 1.00 0.00 H new ATOM 303 N ARG A 19 -2.678 -1.885 -0.969 1.00 0.00 N ATOM 304 CA ARG A 19 -1.858 -3.003 -1.421 1.00 0.00 C ATOM 305 C ARG A 19 -0.716 -2.500 -2.301 1.00 0.00 C ATOM 306 O ARG A 19 0.398 -3.018 -2.250 1.00 0.00 O ATOM 307 CB ARG A 19 -2.700 -3.992 -2.226 1.00 0.00 C ATOM 308 CG ARG A 19 -1.929 -5.215 -2.694 1.00 0.00 C ATOM 309 CD ARG A 19 -2.614 -5.894 -3.870 1.00 0.00 C ATOM 310 NE ARG A 19 -4.002 -6.263 -3.581 1.00 0.00 N ATOM 311 CZ ARG A 19 -4.818 -6.829 -4.474 1.00 0.00 C ATOM 312 NH1 ARG A 19 -4.386 -7.101 -5.697 1.00 0.00 N ATOM 313 NH2 ARG A 19 -6.068 -7.127 -4.148 1.00 0.00 N ATOM 0 H ARG A 19 -3.667 -1.960 -1.206 1.00 0.00 H new ATOM 0 HA ARG A 19 -1.452 -3.501 -0.541 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -3.543 -4.317 -1.617 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -3.113 -3.480 -3.095 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -0.919 -4.921 -2.981 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.833 -5.922 -1.870 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -2.592 -5.227 -4.732 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -2.054 -6.788 -4.144 1.00 0.00 H new ATOM 0 HE ARG A 19 -4.365 -6.077 -2.646 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -3.426 -6.878 -5.960 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -5.013 -7.533 -6.375 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -6.413 -6.924 -3.210 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -6.685 -7.559 -4.836 1.00 0.00 H new ATOM 327 N ARG A 20 -1.001 -1.475 -3.097 1.00 0.00 N ATOM 328 CA ARG A 20 -0.056 -1.001 -4.092 1.00 0.00 C ATOM 329 C ARG A 20 1.032 -0.132 -3.466 1.00 0.00 C ATOM 330 O ARG A 20 2.219 -0.437 -3.611 1.00 0.00 O ATOM 331 CB ARG A 20 -0.783 -0.251 -5.210 1.00 0.00 C ATOM 332 CG ARG A 20 -0.016 -0.246 -6.521 1.00 0.00 C ATOM 333 CD ARG A 20 -0.894 0.174 -7.684 1.00 0.00 C ATOM 334 NE ARG A 20 -0.256 -0.114 -8.968 1.00 0.00 N ATOM 335 CZ ARG A 20 -0.815 0.113 -10.155 1.00 0.00 C ATOM 336 NH1 ARG A 20 -2.019 0.671 -10.238 1.00 0.00 N ATOM 337 NH2 ARG A 20 -0.165 -0.224 -11.261 1.00 0.00 N ATOM 0 H ARG A 20 -1.880 -0.959 -3.070 1.00 0.00 H new ATOM 0 HA ARG A 20 0.435 -1.872 -4.525 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.760 -0.707 -5.369 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.959 0.778 -4.895 1.00 0.00 H new ATOM 0 HG2 ARG A 20 0.833 0.433 -6.443 1.00 0.00 H new ATOM 0 HG3 ARG A 20 0.387 -1.241 -6.710 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -1.850 -0.347 -7.626 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -1.107 1.241 -7.614 1.00 0.00 H new ATOM 0 HE ARG A 20 0.681 -0.516 -8.953 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -2.521 0.929 -9.388 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -2.440 0.842 -11.151 1.00 0.00 H new ATOM 0 HH21 ARG A 20 0.758 -0.654 -11.199 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -0.588 -0.053 -12.173 1.00 0.00 H new ATOM 351 N LYS A 21 0.664 0.946 -2.763 1.00 0.00 N ATOM 352 CA LYS A 21 1.696 1.786 -2.167 1.00 0.00 C ATOM 353 C LYS A 21 2.466 1.019 -1.084 1.00 0.00 C ATOM 354 O LYS A 21 3.655 1.264 -0.879 1.00 0.00 O ATOM 355 CB LYS A 21 1.138 3.105 -1.619 1.00 0.00 C ATOM 356 CG LYS A 21 0.606 3.038 -0.200 1.00 0.00 C ATOM 357 CD LYS A 21 0.652 4.412 0.446 1.00 0.00 C ATOM 358 CE LYS A 21 0.099 4.393 1.859 1.00 0.00 C ATOM 359 NZ LYS A 21 0.756 3.365 2.704 1.00 0.00 N ATOM 0 H LYS A 21 -0.298 1.244 -2.600 1.00 0.00 H new ATOM 0 HA LYS A 21 2.391 2.049 -2.965 1.00 0.00 H new ATOM 0 HB2 LYS A 21 1.924 3.859 -1.661 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.336 3.443 -2.276 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.418 2.666 -0.206 1.00 0.00 H new ATOM 0 HG3 LYS A 21 1.198 2.334 0.385 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.681 4.770 0.464 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.080 5.116 -0.158 1.00 0.00 H new ATOM 0 HE2 LYS A 21 0.234 5.375 2.313 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -0.974 4.202 1.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 0.974 3.770 3.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.118 2.552 2.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 1.637 3.052 2.248 1.00 0.00 H new ATOM 373 N MET A 22 1.804 0.075 -0.407 1.00 0.00 N ATOM 374 CA MET A 22 2.493 -0.780 0.557 1.00 0.00 C ATOM 375 C MET A 22 3.464 -1.716 -0.145 1.00 0.00 C ATOM 376 O MET A 22 4.486 -2.074 0.413 1.00 0.00 O ATOM 377 CB MET A 22 1.520 -1.603 1.408 1.00 0.00 C ATOM 378 CG MET A 22 0.969 -0.864 2.616 1.00 0.00 C ATOM 379 SD MET A 22 0.000 -1.938 3.697 1.00 0.00 S ATOM 380 CE MET A 22 -0.436 -0.804 5.013 1.00 0.00 C ATOM 0 H MET A 22 0.807 -0.113 -0.508 1.00 0.00 H new ATOM 0 HA MET A 22 3.042 -0.114 1.222 1.00 0.00 H new ATOM 0 HB2 MET A 22 0.688 -1.922 0.781 1.00 0.00 H new ATOM 0 HB3 MET A 22 2.027 -2.506 1.749 1.00 0.00 H new ATOM 0 HG2 MET A 22 1.794 -0.433 3.182 1.00 0.00 H new ATOM 0 HG3 MET A 22 0.346 -0.035 2.279 1.00 0.00 H new ATOM 0 HE1 MET A 22 -0.593 -1.361 5.936 1.00 0.00 H new ATOM 0 HE2 MET A 22 0.371 -0.085 5.156 1.00 0.00 H new ATOM 0 HE3 MET A 22 -1.351 -0.274 4.749 1.00 0.00 H new ATOM 390 N ALA A 23 3.152 -2.106 -1.373 1.00 0.00 N ATOM 391 CA ALA A 23 4.055 -2.956 -2.141 1.00 0.00 C ATOM 392 C ALA A 23 5.352 -2.213 -2.450 1.00 0.00 C ATOM 393 O ALA A 23 6.416 -2.820 -2.591 1.00 0.00 O ATOM 394 CB ALA A 23 3.389 -3.432 -3.422 1.00 0.00 C ATOM 0 H ALA A 23 2.290 -1.852 -1.856 1.00 0.00 H new ATOM 0 HA ALA A 23 4.295 -3.833 -1.540 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.081 -4.064 -3.979 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.494 -4.003 -3.176 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.114 -2.571 -4.031 1.00 0.00 H new ATOM 400 N GLN A 24 5.253 -0.894 -2.553 1.00 0.00 N ATOM 401 CA GLN A 24 6.426 -0.051 -2.768 1.00 0.00 C ATOM 402 C GLN A 24 7.150 0.261 -1.456 1.00 0.00 C ATOM 403 O GLN A 24 8.358 0.491 -1.451 1.00 0.00 O ATOM 404 CB GLN A 24 6.038 1.244 -3.488 1.00 0.00 C ATOM 405 CG GLN A 24 6.235 1.183 -5.000 1.00 0.00 C ATOM 406 CD GLN A 24 5.576 -0.027 -5.643 1.00 0.00 C ATOM 407 OE1 GLN A 24 4.420 0.027 -6.062 1.00 0.00 O ATOM 408 NE2 GLN A 24 6.312 -1.126 -5.737 1.00 0.00 N ATOM 0 H GLN A 24 4.373 -0.383 -2.491 1.00 0.00 H new ATOM 0 HA GLN A 24 7.116 -0.610 -3.400 1.00 0.00 H new ATOM 0 HB2 GLN A 24 4.993 1.470 -3.275 1.00 0.00 H new ATOM 0 HB3 GLN A 24 6.630 2.066 -3.085 1.00 0.00 H new ATOM 0 HG2 GLN A 24 5.831 2.090 -5.449 1.00 0.00 H new ATOM 0 HG3 GLN A 24 7.302 1.167 -5.220 1.00 0.00 H new ATOM 0 HE21 GLN A 24 7.267 -1.133 -5.378 1.00 0.00 H new ATOM 0 HE22 GLN A 24 5.923 -1.965 -6.168 1.00 0.00 H new ATOM 417 N GLU A 25 6.416 0.272 -0.349 1.00 0.00 N ATOM 418 CA GLU A 25 7.011 0.548 0.958 1.00 0.00 C ATOM 419 C GLU A 25 7.572 -0.727 1.591 1.00 0.00 C ATOM 420 O GLU A 25 8.715 -0.761 2.048 1.00 0.00 O ATOM 421 CB GLU A 25 5.977 1.188 1.890 1.00 0.00 C ATOM 422 CG GLU A 25 5.512 2.563 1.435 1.00 0.00 C ATOM 423 CD GLU A 25 4.559 3.217 2.416 1.00 0.00 C ATOM 424 OE1 GLU A 25 3.343 2.955 2.340 1.00 0.00 O ATOM 425 OE2 GLU A 25 5.024 3.999 3.272 1.00 0.00 O ATOM 0 H GLU A 25 5.412 0.094 -0.328 1.00 0.00 H new ATOM 0 HA GLU A 25 7.836 1.245 0.810 1.00 0.00 H new ATOM 0 HB2 GLU A 25 5.112 0.529 1.966 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.404 1.271 2.890 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.380 3.207 1.295 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.022 2.473 0.465 1.00 0.00 H new ATOM 432 N ASN A 26 6.761 -1.770 1.603 1.00 0.00 N ATOM 433 CA ASN A 26 7.130 -3.053 2.191 1.00 0.00 C ATOM 434 C ASN A 26 6.558 -4.204 1.356 1.00 0.00 C ATOM 435 O ASN A 26 5.459 -4.696 1.611 1.00 0.00 O ATOM 436 CB ASN A 26 6.700 -3.144 3.672 1.00 0.00 C ATOM 437 CG ASN A 26 5.312 -2.579 3.976 1.00 0.00 C ATOM 438 OD1 ASN A 26 5.114 -1.949 5.016 1.00 0.00 O ATOM 439 ND2 ASN A 26 4.343 -2.816 3.108 1.00 0.00 N ATOM 0 H ASN A 26 5.822 -1.754 1.204 1.00 0.00 H new ATOM 0 HA ASN A 26 8.217 -3.137 2.178 1.00 0.00 H new ATOM 0 HB2 ASN A 26 6.726 -4.190 3.979 1.00 0.00 H new ATOM 0 HB3 ASN A 26 7.433 -2.615 4.281 1.00 0.00 H new ATOM 0 HD21 ASN A 26 3.400 -2.474 3.291 1.00 0.00 H new ATOM 0 HD22 ASN A 26 4.539 -3.341 2.256 1.00 0.00 H new ATOM 446 N PRO A 27 7.313 -4.631 0.326 1.00 0.00 N ATOM 447 CA PRO A 27 6.843 -5.579 -0.706 1.00 0.00 C ATOM 448 C PRO A 27 6.416 -6.947 -0.169 1.00 0.00 C ATOM 449 O PRO A 27 5.925 -7.784 -0.927 1.00 0.00 O ATOM 450 CB PRO A 27 8.053 -5.734 -1.639 1.00 0.00 C ATOM 451 CG PRO A 27 9.224 -5.289 -0.834 1.00 0.00 C ATOM 452 CD PRO A 27 8.708 -4.221 0.085 1.00 0.00 C ATOM 0 HA PRO A 27 5.943 -5.194 -1.186 1.00 0.00 H new ATOM 0 HB2 PRO A 27 8.169 -6.767 -1.965 1.00 0.00 H new ATOM 0 HB3 PRO A 27 7.939 -5.127 -2.537 1.00 0.00 H new ATOM 0 HG2 PRO A 27 9.648 -6.119 -0.269 1.00 0.00 H new ATOM 0 HG3 PRO A 27 10.016 -4.903 -1.476 1.00 0.00 H new ATOM 0 HD2 PRO A 27 9.280 -4.176 1.012 1.00 0.00 H new ATOM 0 HD3 PRO A 27 8.764 -3.234 -0.373 1.00 0.00 H new ATOM 460 N LYS A 28 6.592 -7.179 1.125 1.00 0.00 N ATOM 461 CA LYS A 28 6.173 -8.440 1.717 1.00 0.00 C ATOM 462 C LYS A 28 4.657 -8.477 1.904 1.00 0.00 C ATOM 463 O LYS A 28 4.079 -9.537 2.137 1.00 0.00 O ATOM 464 CB LYS A 28 6.904 -8.700 3.038 1.00 0.00 C ATOM 465 CG LYS A 28 8.391 -8.956 2.844 1.00 0.00 C ATOM 466 CD LYS A 28 9.072 -9.415 4.125 1.00 0.00 C ATOM 467 CE LYS A 28 10.541 -9.728 3.880 1.00 0.00 C ATOM 468 NZ LYS A 28 11.228 -10.205 5.108 1.00 0.00 N ATOM 0 H LYS A 28 7.017 -6.519 1.777 1.00 0.00 H new ATOM 0 HA LYS A 28 6.443 -9.241 1.029 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.770 -7.843 3.698 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.453 -9.559 3.535 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.529 -9.712 2.071 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.870 -8.044 2.487 1.00 0.00 H new ATOM 0 HD2 LYS A 28 8.984 -8.640 4.886 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.568 -10.300 4.512 1.00 0.00 H new ATOM 0 HE2 LYS A 28 10.624 -10.487 3.102 1.00 0.00 H new ATOM 0 HE3 LYS A 28 11.044 -8.835 3.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 12.225 -10.405 4.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 11.173 -9.472 5.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 10.767 -11.072 5.449 1.00 0.00 H new ATOM 482 N MET A 29 4.019 -7.320 1.805 1.00 0.00 N ATOM 483 CA MET A 29 2.563 -7.245 1.767 1.00 0.00 C ATOM 484 C MET A 29 2.095 -7.513 0.343 1.00 0.00 C ATOM 485 O MET A 29 2.550 -6.854 -0.593 1.00 0.00 O ATOM 486 CB MET A 29 2.078 -5.866 2.229 1.00 0.00 C ATOM 487 CG MET A 29 1.877 -5.719 3.735 1.00 0.00 C ATOM 488 SD MET A 29 3.353 -6.082 4.713 1.00 0.00 S ATOM 489 CE MET A 29 3.144 -7.833 5.028 1.00 0.00 C ATOM 0 H MET A 29 4.488 -6.416 1.749 1.00 0.00 H new ATOM 0 HA MET A 29 2.147 -7.992 2.443 1.00 0.00 H new ATOM 0 HB2 MET A 29 2.798 -5.116 1.900 1.00 0.00 H new ATOM 0 HB3 MET A 29 1.135 -5.644 1.729 1.00 0.00 H new ATOM 0 HG2 MET A 29 1.553 -4.701 3.950 1.00 0.00 H new ATOM 0 HG3 MET A 29 1.072 -6.383 4.050 1.00 0.00 H new ATOM 0 HE1 MET A 29 3.111 -8.008 6.103 1.00 0.00 H new ATOM 0 HE2 MET A 29 2.213 -8.175 4.576 1.00 0.00 H new ATOM 0 HE3 MET A 29 3.980 -8.383 4.596 1.00 0.00 H new ATOM 499 N HIS A 30 1.202 -8.479 0.161 1.00 0.00 N ATOM 500 CA HIS A 30 0.826 -8.887 -1.188 1.00 0.00 C ATOM 501 C HIS A 30 -0.683 -9.059 -1.375 1.00 0.00 C ATOM 502 O HIS A 30 -1.204 -8.661 -2.418 1.00 0.00 O ATOM 503 CB HIS A 30 1.587 -10.151 -1.635 1.00 0.00 C ATOM 504 CG HIS A 30 1.612 -11.289 -0.652 1.00 0.00 C ATOM 505 ND1 HIS A 30 1.121 -12.543 -0.939 1.00 0.00 N ATOM 506 CD2 HIS A 30 2.125 -11.372 0.599 1.00 0.00 C ATOM 507 CE1 HIS A 30 1.330 -13.342 0.088 1.00 0.00 C ATOM 508 NE2 HIS A 30 1.939 -12.657 1.032 1.00 0.00 N ATOM 0 H HIS A 30 0.733 -8.985 0.912 1.00 0.00 H new ATOM 0 HA HIS A 30 1.123 -8.062 -1.836 1.00 0.00 H new ATOM 0 HB2 HIS A 30 1.142 -10.509 -2.564 1.00 0.00 H new ATOM 0 HB3 HIS A 30 2.616 -9.870 -1.862 1.00 0.00 H new ATOM 0 HD2 HIS A 30 2.594 -10.572 1.152 1.00 0.00 H new ATOM 0 HE1 HIS A 30 1.049 -14.383 0.145 1.00 0.00 H new ATOM 0 HE2 HIS A 30 2.226 -13.024 1.939 1.00 0.00 H new ATOM 517 N ASN A 31 -1.395 -9.631 -0.398 1.00 0.00 N ATOM 518 CA ASN A 31 -2.848 -9.812 -0.543 1.00 0.00 C ATOM 519 C ASN A 31 -3.542 -10.313 0.730 1.00 0.00 C ATOM 520 O ASN A 31 -4.238 -9.546 1.393 1.00 0.00 O ATOM 521 CB ASN A 31 -3.195 -10.729 -1.738 1.00 0.00 C ATOM 522 CG ASN A 31 -2.325 -11.974 -1.852 1.00 0.00 C ATOM 523 OD1 ASN A 31 -1.851 -12.528 -0.861 1.00 0.00 O ATOM 524 ND2 ASN A 31 -2.100 -12.415 -3.080 1.00 0.00 N ATOM 0 H ASN A 31 -1.004 -9.970 0.481 1.00 0.00 H new ATOM 0 HA ASN A 31 -3.237 -8.813 -0.738 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -4.237 -11.036 -1.653 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -3.106 -10.153 -2.659 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -1.517 -13.239 -3.227 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -2.509 -11.931 -3.879 1.00 0.00 H new ATOM 531 N SER A 32 -3.361 -11.585 1.064 1.00 0.00 N ATOM 532 CA SER A 32 -4.149 -12.238 2.111 1.00 0.00 C ATOM 533 C SER A 32 -4.005 -11.550 3.469 1.00 0.00 C ATOM 534 O SER A 32 -5.003 -11.244 4.127 1.00 0.00 O ATOM 535 CB SER A 32 -3.732 -13.702 2.221 1.00 0.00 C ATOM 536 OG SER A 32 -3.854 -14.361 0.969 1.00 0.00 O ATOM 0 H SER A 32 -2.670 -12.192 0.623 1.00 0.00 H new ATOM 0 HA SER A 32 -5.199 -12.165 1.827 1.00 0.00 H new ATOM 0 HB2 SER A 32 -2.701 -13.765 2.570 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.352 -14.206 2.963 1.00 0.00 H new ATOM 0 HG SER A 32 -3.580 -15.297 1.064 1.00 0.00 H new ATOM 542 N GLU A 33 -2.771 -11.284 3.877 1.00 0.00 N ATOM 543 CA GLU A 33 -2.516 -10.624 5.150 1.00 0.00 C ATOM 544 C GLU A 33 -3.127 -9.229 5.132 1.00 0.00 C ATOM 545 O GLU A 33 -3.805 -8.814 6.079 1.00 0.00 O ATOM 546 CB GLU A 33 -1.006 -10.572 5.461 1.00 0.00 C ATOM 547 CG GLU A 33 -0.151 -9.808 4.448 1.00 0.00 C ATOM 548 CD GLU A 33 -0.181 -10.412 3.056 1.00 0.00 C ATOM 549 OE1 GLU A 33 -0.117 -11.652 2.935 1.00 0.00 O ATOM 550 OE2 GLU A 33 -0.303 -9.651 2.077 1.00 0.00 O ATOM 0 H GLU A 33 -1.932 -11.515 3.345 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.985 -11.202 5.947 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.870 -10.116 6.442 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.631 -11.593 5.529 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.498 -8.776 4.396 1.00 0.00 H new ATOM 0 HG3 GLU A 33 0.880 -9.780 4.802 1.00 0.00 H new ATOM 557 N ILE A 34 -2.925 -8.539 4.016 1.00 0.00 N ATOM 558 CA ILE A 34 -3.504 -7.226 3.791 1.00 0.00 C ATOM 559 C ILE A 34 -5.017 -7.266 3.990 1.00 0.00 C ATOM 560 O ILE A 34 -5.597 -6.372 4.601 1.00 0.00 O ATOM 561 CB ILE A 34 -3.197 -6.735 2.357 1.00 0.00 C ATOM 562 CG1 ILE A 34 -1.688 -6.594 2.152 1.00 0.00 C ATOM 563 CG2 ILE A 34 -3.902 -5.419 2.062 1.00 0.00 C ATOM 564 CD1 ILE A 34 -1.307 -6.116 0.767 1.00 0.00 C ATOM 0 H ILE A 34 -2.354 -8.877 3.242 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.062 -6.538 4.512 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.576 -7.481 1.658 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.293 -5.896 2.890 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.213 -7.557 2.338 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.667 -5.100 1.047 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.979 -5.553 2.160 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.566 -4.660 2.768 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.222 -6.039 0.694 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.671 -6.826 0.024 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.753 -5.138 0.584 1.00 0.00 H new ATOM 576 N SER A 35 -5.638 -8.337 3.515 1.00 0.00 N ATOM 577 CA SER A 35 -7.088 -8.445 3.532 1.00 0.00 C ATOM 578 C SER A 35 -7.615 -8.553 4.965 1.00 0.00 C ATOM 579 O SER A 35 -8.644 -7.963 5.305 1.00 0.00 O ATOM 580 CB SER A 35 -7.532 -9.653 2.700 1.00 0.00 C ATOM 581 OG SER A 35 -6.995 -9.591 1.383 1.00 0.00 O ATOM 0 H SER A 35 -5.159 -9.143 3.113 1.00 0.00 H new ATOM 0 HA SER A 35 -7.507 -7.540 3.092 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.207 -10.573 3.186 1.00 0.00 H new ATOM 0 HB3 SER A 35 -8.620 -9.685 2.652 1.00 0.00 H new ATOM 0 HG SER A 35 -6.024 -9.719 1.419 1.00 0.00 H new ATOM 587 N LYS A 36 -6.887 -9.275 5.814 1.00 0.00 N ATOM 588 CA LYS A 36 -7.347 -9.518 7.174 1.00 0.00 C ATOM 589 C LYS A 36 -7.120 -8.285 8.043 1.00 0.00 C ATOM 590 O LYS A 36 -7.968 -7.920 8.861 1.00 0.00 O ATOM 591 CB LYS A 36 -6.642 -10.732 7.783 1.00 0.00 C ATOM 592 CG LYS A 36 -7.301 -11.238 9.060 1.00 0.00 C ATOM 593 CD LYS A 36 -8.707 -11.755 8.789 1.00 0.00 C ATOM 594 CE LYS A 36 -9.420 -12.186 10.065 1.00 0.00 C ATOM 595 NZ LYS A 36 -8.654 -13.212 10.817 1.00 0.00 N ATOM 0 H LYS A 36 -5.987 -9.697 5.586 1.00 0.00 H new ATOM 0 HA LYS A 36 -8.416 -9.728 7.135 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.623 -11.538 7.049 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.605 -10.471 7.997 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.696 -12.034 9.493 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.342 -10.433 9.794 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.289 -10.977 8.295 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -8.655 -12.599 8.101 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.580 -11.316 10.701 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.404 -12.582 9.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.240 -13.585 11.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.391 -13.988 10.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -7.793 -12.782 11.212 1.00 0.00 H new ATOM 609 N ARG A 37 -5.976 -7.640 7.854 1.00 0.00 N ATOM 610 CA ARG A 37 -5.633 -6.465 8.641 1.00 0.00 C ATOM 611 C ARG A 37 -6.471 -5.258 8.235 1.00 0.00 C ATOM 612 O ARG A 37 -7.031 -4.583 9.090 1.00 0.00 O ATOM 613 CB ARG A 37 -4.141 -6.146 8.531 1.00 0.00 C ATOM 614 CG ARG A 37 -3.273 -7.087 9.349 1.00 0.00 C ATOM 615 CD ARG A 37 -1.819 -6.643 9.374 1.00 0.00 C ATOM 616 NE ARG A 37 -1.056 -7.366 10.392 1.00 0.00 N ATOM 617 CZ ARG A 37 0.003 -6.868 11.029 1.00 0.00 C ATOM 618 NH1 ARG A 37 0.499 -5.686 10.684 1.00 0.00 N ATOM 619 NH2 ARG A 37 0.580 -7.566 12.001 1.00 0.00 N ATOM 0 H ARG A 37 -5.273 -7.910 7.166 1.00 0.00 H new ATOM 0 HA ARG A 37 -5.858 -6.694 9.683 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.840 -6.199 7.485 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -3.968 -5.122 8.861 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -3.654 -7.138 10.369 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.338 -8.093 8.934 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -1.370 -6.809 8.395 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -1.768 -5.572 9.571 1.00 0.00 H new ATOM 0 HE ARG A 37 -1.354 -8.312 10.629 1.00 0.00 H new ATOM 0 HH11 ARG A 37 0.069 -5.154 9.927 1.00 0.00 H new ATOM 0 HH12 ARG A 37 1.310 -5.310 11.175 1.00 0.00 H new ATOM 0 HH21 ARG A 37 0.212 -8.482 12.259 1.00 0.00 H new ATOM 0 HH22 ARG A 37 1.391 -7.186 12.490 1.00 0.00 H new ATOM 633 N LEU A 38 -6.583 -5.009 6.937 1.00 0.00 N ATOM 634 CA LEU A 38 -7.342 -3.858 6.447 1.00 0.00 C ATOM 635 C LEU A 38 -8.818 -3.964 6.824 1.00 0.00 C ATOM 636 O LEU A 38 -9.443 -2.967 7.194 1.00 0.00 O ATOM 637 CB LEU A 38 -7.181 -3.702 4.931 1.00 0.00 C ATOM 638 CG LEU A 38 -5.987 -2.844 4.483 1.00 0.00 C ATOM 639 CD1 LEU A 38 -4.670 -3.402 5.002 1.00 0.00 C ATOM 640 CD2 LEU A 38 -5.966 -2.725 2.968 1.00 0.00 C ATOM 0 H LEU A 38 -6.162 -5.582 6.206 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.937 -2.968 6.928 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.081 -4.693 4.489 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -8.094 -3.263 4.528 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.108 -1.849 4.911 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.849 -2.769 4.665 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.688 -3.424 6.092 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.528 -4.414 4.621 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -5.116 -2.115 2.663 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.878 -3.718 2.526 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.889 -2.257 2.627 1.00 0.00 H new ATOM 652 N GLY A 39 -9.369 -5.171 6.746 1.00 0.00 N ATOM 653 CA GLY A 39 -10.739 -5.391 7.173 1.00 0.00 C ATOM 654 C GLY A 39 -10.932 -5.075 8.645 1.00 0.00 C ATOM 655 O GLY A 39 -11.927 -4.463 9.037 1.00 0.00 O ATOM 0 H GLY A 39 -8.891 -6.001 6.395 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -11.409 -4.770 6.578 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -11.015 -6.429 6.985 1.00 0.00 H new ATOM 659 N ALA A 40 -9.963 -5.476 9.460 1.00 0.00 N ATOM 660 CA ALA A 40 -10.013 -5.222 10.893 1.00 0.00 C ATOM 661 C ALA A 40 -9.804 -3.741 11.189 1.00 0.00 C ATOM 662 O ALA A 40 -10.360 -3.205 12.150 1.00 0.00 O ATOM 663 CB ALA A 40 -8.968 -6.055 11.616 1.00 0.00 C ATOM 0 H ALA A 40 -9.132 -5.980 9.151 1.00 0.00 H new ATOM 0 HA ALA A 40 -11.001 -5.508 11.254 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.019 -5.853 12.686 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -9.158 -7.113 11.437 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.976 -5.797 11.245 1.00 0.00 H new ATOM 669 N GLU A 41 -9.002 -3.080 10.364 1.00 0.00 N ATOM 670 CA GLU A 41 -8.755 -1.655 10.530 1.00 0.00 C ATOM 671 C GLU A 41 -9.994 -0.847 10.173 1.00 0.00 C ATOM 672 O GLU A 41 -10.333 0.111 10.866 1.00 0.00 O ATOM 673 CB GLU A 41 -7.557 -1.201 9.695 1.00 0.00 C ATOM 674 CG GLU A 41 -6.232 -1.770 10.180 1.00 0.00 C ATOM 675 CD GLU A 41 -5.988 -1.501 11.653 1.00 0.00 C ATOM 676 OE1 GLU A 41 -5.635 -0.358 12.000 1.00 0.00 O ATOM 677 OE2 GLU A 41 -6.157 -2.432 12.471 1.00 0.00 O ATOM 0 H GLU A 41 -8.514 -3.506 9.577 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.520 -1.478 11.579 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -7.713 -1.497 8.658 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -7.504 -0.112 9.711 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.216 -2.845 10.003 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -5.419 -1.338 9.596 1.00 0.00 H new ATOM 684 N TRP A 42 -10.676 -1.241 9.100 1.00 0.00 N ATOM 685 CA TRP A 42 -11.937 -0.608 8.722 1.00 0.00 C ATOM 686 C TRP A 42 -12.959 -0.735 9.855 1.00 0.00 C ATOM 687 O TRP A 42 -13.748 0.180 10.105 1.00 0.00 O ATOM 688 CB TRP A 42 -12.488 -1.217 7.427 1.00 0.00 C ATOM 689 CG TRP A 42 -13.772 -0.581 6.980 1.00 0.00 C ATOM 690 CD1 TRP A 42 -15.004 -0.793 7.514 1.00 0.00 C ATOM 691 CD2 TRP A 42 -13.955 0.367 5.919 1.00 0.00 C ATOM 692 NE1 TRP A 42 -15.944 -0.032 6.866 1.00 0.00 N ATOM 693 CE2 TRP A 42 -15.328 0.680 5.875 1.00 0.00 C ATOM 694 CE3 TRP A 42 -13.099 0.977 5.002 1.00 0.00 C ATOM 695 CZ2 TRP A 42 -15.858 1.580 4.955 1.00 0.00 C ATOM 696 CZ3 TRP A 42 -13.627 1.870 4.089 1.00 0.00 C ATOM 697 CH2 TRP A 42 -14.996 2.161 4.068 1.00 0.00 C ATOM 0 H TRP A 42 -10.378 -1.993 8.479 1.00 0.00 H new ATOM 0 HA TRP A 42 -11.748 0.450 8.543 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -11.743 -1.113 6.638 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -12.650 -2.285 7.574 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -15.213 -1.465 8.333 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -16.939 -0.002 7.087 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -12.042 0.755 5.005 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -16.913 1.811 4.943 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -12.971 2.352 3.379 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -15.378 2.858 3.337 1.00 0.00 H new ATOM 708 N LYS A 43 -12.925 -1.864 10.550 1.00 0.00 N ATOM 709 CA LYS A 43 -13.836 -2.113 11.663 1.00 0.00 C ATOM 710 C LYS A 43 -13.717 -1.049 12.757 1.00 0.00 C ATOM 711 O LYS A 43 -14.686 -0.750 13.454 1.00 0.00 O ATOM 712 CB LYS A 43 -13.591 -3.497 12.227 1.00 0.00 C ATOM 713 CG LYS A 43 -14.329 -4.555 11.443 1.00 0.00 C ATOM 714 CD LYS A 43 -13.879 -5.942 11.816 1.00 0.00 C ATOM 715 CE LYS A 43 -14.084 -6.238 13.294 1.00 0.00 C ATOM 716 NZ LYS A 43 -15.515 -6.160 13.689 1.00 0.00 N ATOM 0 H LYS A 43 -12.274 -2.626 10.363 1.00 0.00 H new ATOM 0 HA LYS A 43 -14.855 -2.056 11.280 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -12.523 -3.712 12.213 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -13.909 -3.527 13.269 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -15.400 -4.460 11.622 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -14.169 -4.395 10.377 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -14.429 -6.672 11.222 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -12.824 -6.058 11.567 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -13.700 -7.233 13.520 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -13.506 -5.530 13.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -15.624 -6.499 14.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -15.839 -5.174 13.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -16.084 -6.752 13.051 1.00 0.00 H new ATOM 730 N LEU A 44 -12.536 -0.465 12.886 1.00 0.00 N ATOM 731 CA LEU A 44 -12.292 0.568 13.887 1.00 0.00 C ATOM 732 C LEU A 44 -11.995 1.904 13.211 1.00 0.00 C ATOM 733 O LEU A 44 -11.510 2.838 13.848 1.00 0.00 O ATOM 734 CB LEU A 44 -11.120 0.182 14.802 1.00 0.00 C ATOM 735 CG LEU A 44 -11.395 -0.934 15.822 1.00 0.00 C ATOM 736 CD1 LEU A 44 -11.533 -2.291 15.146 1.00 0.00 C ATOM 737 CD2 LEU A 44 -10.293 -0.974 16.867 1.00 0.00 C ATOM 0 H LEU A 44 -11.726 -0.689 12.308 1.00 0.00 H new ATOM 0 HA LEU A 44 -13.192 0.664 14.494 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -10.283 -0.125 14.175 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -10.802 1.072 15.345 1.00 0.00 H new ATOM 0 HG LEU A 44 -12.343 -0.711 16.311 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -11.727 -3.055 15.899 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -12.361 -2.262 14.437 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -10.610 -2.529 14.617 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -10.500 -1.769 17.584 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -9.337 -1.164 16.380 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -10.251 -0.018 17.388 1.00 0.00 H new ATOM 749 N LEU A 45 -12.326 1.991 11.928 1.00 0.00 N ATOM 750 CA LEU A 45 -11.978 3.148 11.108 1.00 0.00 C ATOM 751 C LEU A 45 -12.639 4.432 11.598 1.00 0.00 C ATOM 752 O LEU A 45 -13.868 4.556 11.579 1.00 0.00 O ATOM 753 CB LEU A 45 -12.392 2.896 9.657 1.00 0.00 C ATOM 754 CG LEU A 45 -12.138 4.057 8.697 1.00 0.00 C ATOM 755 CD1 LEU A 45 -10.651 4.286 8.532 1.00 0.00 C ATOM 756 CD2 LEU A 45 -12.792 3.797 7.352 1.00 0.00 C ATOM 0 H LEU A 45 -12.841 1.266 11.428 1.00 0.00 H new ATOM 0 HA LEU A 45 -10.899 3.280 11.183 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -11.858 2.019 9.291 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -13.455 2.654 9.636 1.00 0.00 H new ATOM 0 HG LEU A 45 -12.583 4.957 9.120 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -10.485 5.116 7.845 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -10.210 4.522 9.500 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -10.186 3.385 8.131 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -12.598 4.637 6.685 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -12.381 2.886 6.918 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -13.867 3.682 7.487 1.00 0.00 H new ATOM 768 N SER A 46 -11.825 5.372 12.050 1.00 0.00 N ATOM 769 CA SER A 46 -12.292 6.724 12.294 1.00 0.00 C ATOM 770 C SER A 46 -12.050 7.573 11.042 1.00 0.00 C ATOM 771 O SER A 46 -11.463 7.099 10.066 1.00 0.00 O ATOM 772 CB SER A 46 -11.588 7.320 13.511 1.00 0.00 C ATOM 773 OG SER A 46 -11.680 6.445 14.626 1.00 0.00 O ATOM 0 H SER A 46 -10.837 5.222 12.255 1.00 0.00 H new ATOM 0 HA SER A 46 -13.361 6.710 12.508 1.00 0.00 H new ATOM 0 HB2 SER A 46 -10.540 7.507 13.275 1.00 0.00 H new ATOM 0 HB3 SER A 46 -12.035 8.282 13.760 1.00 0.00 H new ATOM 0 HG SER A 46 -11.221 6.845 15.394 1.00 0.00 H new ATOM 779 N GLU A 47 -12.490 8.819 11.071 1.00 0.00 N ATOM 780 CA GLU A 47 -12.414 9.690 9.900 1.00 0.00 C ATOM 781 C GLU A 47 -10.984 10.136 9.606 1.00 0.00 C ATOM 782 O GLU A 47 -10.649 10.420 8.455 1.00 0.00 O ATOM 783 CB GLU A 47 -13.316 10.913 10.097 1.00 0.00 C ATOM 784 CG GLU A 47 -14.773 10.564 10.365 1.00 0.00 C ATOM 785 CD GLU A 47 -15.493 10.040 9.141 1.00 0.00 C ATOM 786 OE1 GLU A 47 -14.860 9.353 8.315 1.00 0.00 O ATOM 787 OE2 GLU A 47 -16.700 10.329 8.986 1.00 0.00 O ATOM 0 H GLU A 47 -12.906 9.256 11.894 1.00 0.00 H new ATOM 0 HA GLU A 47 -12.759 9.114 9.041 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -12.934 11.504 10.930 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.260 11.541 9.208 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -14.822 9.816 11.156 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -15.291 11.450 10.732 1.00 0.00 H new ATOM 794 N THR A 48 -10.140 10.201 10.629 1.00 0.00 N ATOM 795 CA THR A 48 -8.760 10.617 10.421 1.00 0.00 C ATOM 796 C THR A 48 -7.956 9.516 9.724 1.00 0.00 C ATOM 797 O THR A 48 -7.040 9.808 8.956 1.00 0.00 O ATOM 798 CB THR A 48 -8.061 11.056 11.732 1.00 0.00 C ATOM 799 OG1 THR A 48 -6.714 11.472 11.459 1.00 0.00 O ATOM 800 CG2 THR A 48 -8.047 9.945 12.765 1.00 0.00 C ATOM 0 H THR A 48 -10.381 9.975 11.594 1.00 0.00 H new ATOM 0 HA THR A 48 -8.795 11.493 9.773 1.00 0.00 H new ATOM 0 HB THR A 48 -8.631 11.890 12.141 1.00 0.00 H new ATOM 0 HG1 THR A 48 -6.282 11.749 12.294 1.00 0.00 H new ATOM 0 HG21 THR A 48 -7.548 10.295 13.669 1.00 0.00 H new ATOM 0 HG22 THR A 48 -9.071 9.658 13.004 1.00 0.00 H new ATOM 0 HG23 THR A 48 -7.512 9.083 12.365 1.00 0.00 H new ATOM 808 N GLU A 49 -8.309 8.257 9.970 1.00 0.00 N ATOM 809 CA GLU A 49 -7.697 7.155 9.235 1.00 0.00 C ATOM 810 C GLU A 49 -8.319 7.051 7.848 1.00 0.00 C ATOM 811 O GLU A 49 -7.790 6.371 6.973 1.00 0.00 O ATOM 812 CB GLU A 49 -7.857 5.811 9.953 1.00 0.00 C ATOM 813 CG GLU A 49 -7.318 5.783 11.370 1.00 0.00 C ATOM 814 CD GLU A 49 -8.407 5.999 12.389 1.00 0.00 C ATOM 815 OE1 GLU A 49 -8.869 7.143 12.524 1.00 0.00 O ATOM 816 OE2 GLU A 49 -8.807 5.023 13.058 1.00 0.00 O ATOM 0 H GLU A 49 -9.005 7.977 10.662 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.631 7.373 9.164 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.915 5.550 9.976 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -7.351 5.041 9.371 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -6.832 4.825 11.555 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -6.556 6.554 11.484 1.00 0.00 H new ATOM 823 N LYS A 50 -9.447 7.727 7.652 1.00 0.00 N ATOM 824 CA LYS A 50 -10.125 7.707 6.362 1.00 0.00 C ATOM 825 C LYS A 50 -9.372 8.566 5.342 1.00 0.00 C ATOM 826 O LYS A 50 -9.579 8.443 4.137 1.00 0.00 O ATOM 827 CB LYS A 50 -11.575 8.187 6.486 1.00 0.00 C ATOM 828 CG LYS A 50 -12.393 7.951 5.222 1.00 0.00 C ATOM 829 CD LYS A 50 -13.802 8.519 5.316 1.00 0.00 C ATOM 830 CE LYS A 50 -13.812 10.041 5.262 1.00 0.00 C ATOM 831 NZ LYS A 50 -13.329 10.659 6.525 1.00 0.00 N ATOM 0 H LYS A 50 -9.908 8.292 8.365 1.00 0.00 H new ATOM 0 HA LYS A 50 -10.137 6.674 6.013 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -12.051 7.673 7.321 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -11.580 9.251 6.722 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -11.880 8.403 4.373 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -12.450 6.880 5.026 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -14.407 8.124 4.500 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -14.265 8.187 6.245 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -13.186 10.376 4.435 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -14.825 10.387 5.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -13.832 11.554 6.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -13.508 10.012 7.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -12.308 10.844 6.453 1.00 0.00 H new ATOM 845 N ARG A 51 -8.493 9.433 5.832 1.00 0.00 N ATOM 846 CA ARG A 51 -7.729 10.324 4.962 1.00 0.00 C ATOM 847 C ARG A 51 -6.851 9.545 3.968 1.00 0.00 C ATOM 848 O ARG A 51 -6.973 9.751 2.761 1.00 0.00 O ATOM 849 CB ARG A 51 -6.888 11.311 5.787 1.00 0.00 C ATOM 850 CG ARG A 51 -6.019 12.245 4.951 1.00 0.00 C ATOM 851 CD ARG A 51 -6.828 13.005 3.906 1.00 0.00 C ATOM 852 NE ARG A 51 -7.907 13.796 4.497 1.00 0.00 N ATOM 853 CZ ARG A 51 -8.840 14.429 3.783 1.00 0.00 C ATOM 854 NH1 ARG A 51 -8.806 14.392 2.456 1.00 0.00 N ATOM 855 NH2 ARG A 51 -9.797 15.117 4.392 1.00 0.00 N ATOM 0 H ARG A 51 -8.291 9.539 6.826 1.00 0.00 H new ATOM 0 HA ARG A 51 -8.447 10.896 4.375 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -7.556 11.911 6.405 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -6.247 10.747 6.465 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -5.518 12.956 5.607 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -5.240 11.666 4.454 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -6.164 13.664 3.346 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -7.250 12.297 3.193 1.00 0.00 H new ATOM 0 HE ARG A 51 -7.949 13.868 5.514 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -8.065 13.878 1.979 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -9.521 14.877 1.914 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -9.822 15.164 5.411 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -10.508 15.599 3.842 1.00 0.00 H new ATOM 869 N PRO A 52 -5.958 8.641 4.430 1.00 0.00 N ATOM 870 CA PRO A 52 -5.098 7.879 3.519 1.00 0.00 C ATOM 871 C PRO A 52 -5.883 6.963 2.590 1.00 0.00 C ATOM 872 O PRO A 52 -5.390 6.586 1.533 1.00 0.00 O ATOM 873 CB PRO A 52 -4.186 7.068 4.446 1.00 0.00 C ATOM 874 CG PRO A 52 -4.903 7.027 5.752 1.00 0.00 C ATOM 875 CD PRO A 52 -5.683 8.309 5.841 1.00 0.00 C ATOM 0 HA PRO A 52 -4.548 8.542 2.851 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -4.019 6.064 4.056 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -3.208 7.538 4.547 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -5.566 6.163 5.806 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -4.199 6.941 6.580 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -6.604 8.180 6.410 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.110 9.094 6.334 1.00 0.00 H new ATOM 883 N PHE A 53 -7.112 6.637 2.968 1.00 0.00 N ATOM 884 CA PHE A 53 -8.008 5.912 2.078 1.00 0.00 C ATOM 885 C PHE A 53 -8.181 6.697 0.794 1.00 0.00 C ATOM 886 O PHE A 53 -8.162 6.152 -0.312 1.00 0.00 O ATOM 887 CB PHE A 53 -9.380 5.747 2.715 1.00 0.00 C ATOM 888 CG PHE A 53 -9.551 4.517 3.544 1.00 0.00 C ATOM 889 CD1 PHE A 53 -9.176 4.505 4.873 1.00 0.00 C ATOM 890 CD2 PHE A 53 -10.119 3.381 2.996 1.00 0.00 C ATOM 891 CE1 PHE A 53 -9.364 3.378 5.646 1.00 0.00 C ATOM 892 CE2 PHE A 53 -10.308 2.252 3.762 1.00 0.00 C ATOM 893 CZ PHE A 53 -9.932 2.250 5.090 1.00 0.00 C ATOM 0 H PHE A 53 -7.509 6.862 3.880 1.00 0.00 H new ATOM 0 HA PHE A 53 -7.575 4.931 1.881 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -9.580 6.618 3.339 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -10.131 5.741 1.925 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -8.731 5.386 5.311 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -10.417 3.379 1.958 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -9.067 3.379 6.684 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -10.750 1.369 3.324 1.00 0.00 H new ATOM 0 HZ PHE A 53 -10.082 1.367 5.693 1.00 0.00 H new ATOM 903 N ILE A 54 -8.299 7.998 0.956 1.00 0.00 N ATOM 904 CA ILE A 54 -8.609 8.863 -0.155 1.00 0.00 C ATOM 905 C ILE A 54 -7.336 9.101 -0.963 1.00 0.00 C ATOM 906 O ILE A 54 -7.375 9.287 -2.176 1.00 0.00 O ATOM 907 CB ILE A 54 -9.188 10.215 0.319 1.00 0.00 C ATOM 908 CG1 ILE A 54 -10.366 9.994 1.276 1.00 0.00 C ATOM 909 CG2 ILE A 54 -9.628 11.053 -0.872 1.00 0.00 C ATOM 910 CD1 ILE A 54 -11.517 9.219 0.666 1.00 0.00 C ATOM 0 H ILE A 54 -8.184 8.477 1.849 1.00 0.00 H new ATOM 0 HA ILE A 54 -9.367 8.379 -0.771 1.00 0.00 H new ATOM 0 HB ILE A 54 -8.405 10.752 0.853 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -10.010 9.462 2.158 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -10.733 10.963 1.615 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -10.033 12.002 -0.520 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.772 11.242 -1.520 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -10.395 10.516 -1.431 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -12.310 9.104 1.405 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -11.902 9.760 -0.199 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -11.168 8.235 0.353 1.00 0.00 H new ATOM 922 N ASP A 55 -6.203 9.090 -0.264 1.00 0.00 N ATOM 923 CA ASP A 55 -4.903 9.305 -0.894 1.00 0.00 C ATOM 924 C ASP A 55 -4.531 8.129 -1.798 1.00 0.00 C ATOM 925 O ASP A 55 -3.984 8.328 -2.885 1.00 0.00 O ATOM 926 CB ASP A 55 -3.820 9.522 0.161 1.00 0.00 C ATOM 927 CG ASP A 55 -2.512 9.981 -0.450 1.00 0.00 C ATOM 928 OD1 ASP A 55 -2.455 11.129 -0.944 1.00 0.00 O ATOM 929 OD2 ASP A 55 -1.537 9.204 -0.440 1.00 0.00 O ATOM 0 H ASP A 55 -6.160 8.934 0.743 1.00 0.00 H new ATOM 0 HA ASP A 55 -4.975 10.202 -1.509 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -4.162 10.263 0.883 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.657 8.594 0.709 1.00 0.00 H new ATOM 934 N GLU A 56 -4.826 6.906 -1.351 1.00 0.00 N ATOM 935 CA GLU A 56 -4.686 5.727 -2.208 1.00 0.00 C ATOM 936 C GLU A 56 -5.510 5.944 -3.480 1.00 0.00 C ATOM 937 O GLU A 56 -5.068 5.636 -4.585 1.00 0.00 O ATOM 938 CB GLU A 56 -5.176 4.465 -1.493 1.00 0.00 C ATOM 939 CG GLU A 56 -4.555 4.237 -0.125 1.00 0.00 C ATOM 940 CD GLU A 56 -3.051 4.409 -0.117 1.00 0.00 C ATOM 941 OE1 GLU A 56 -2.371 3.768 -0.940 1.00 0.00 O ATOM 942 OE2 GLU A 56 -2.553 5.193 0.719 1.00 0.00 O ATOM 0 H GLU A 56 -5.161 6.707 -0.408 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.632 5.592 -2.453 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.259 4.522 -1.382 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.966 3.601 -2.123 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.998 4.932 0.588 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.801 3.231 0.216 1.00 0.00 H new ATOM 949 N ALA A 57 -6.715 6.500 -3.301 1.00 0.00 N ATOM 950 CA ALA A 57 -7.605 6.813 -4.422 1.00 0.00 C ATOM 951 C ALA A 57 -6.990 7.862 -5.344 1.00 0.00 C ATOM 952 O ALA A 57 -7.095 7.759 -6.568 1.00 0.00 O ATOM 953 CB ALA A 57 -8.955 7.295 -3.913 1.00 0.00 C ATOM 0 H ALA A 57 -7.095 6.742 -2.386 1.00 0.00 H new ATOM 0 HA ALA A 57 -7.747 5.897 -4.996 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -9.603 7.523 -4.759 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -9.414 6.516 -3.304 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -8.817 8.192 -3.310 1.00 0.00 H new ATOM 959 N LYS A 58 -6.355 8.874 -4.751 1.00 0.00 N ATOM 960 CA LYS A 58 -5.661 9.903 -5.523 1.00 0.00 C ATOM 961 C LYS A 58 -4.622 9.246 -6.420 1.00 0.00 C ATOM 962 O LYS A 58 -4.454 9.613 -7.587 1.00 0.00 O ATOM 963 CB LYS A 58 -4.955 10.907 -4.600 1.00 0.00 C ATOM 964 CG LYS A 58 -5.854 11.584 -3.575 1.00 0.00 C ATOM 965 CD LYS A 58 -6.909 12.473 -4.219 1.00 0.00 C ATOM 966 CE LYS A 58 -7.674 13.261 -3.165 1.00 0.00 C ATOM 967 NZ LYS A 58 -8.789 14.054 -3.746 1.00 0.00 N ATOM 0 H LYS A 58 -6.308 9.002 -3.740 1.00 0.00 H new ATOM 0 HA LYS A 58 -6.400 10.437 -6.121 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.153 10.390 -4.072 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.488 11.676 -5.215 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.346 10.823 -2.969 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.243 12.183 -2.900 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -6.433 13.161 -4.918 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -7.603 11.861 -4.796 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -8.072 12.573 -2.419 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -6.987 13.931 -2.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -9.278 14.572 -2.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -8.410 14.731 -4.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -9.460 13.415 -4.218 1.00 0.00 H new ATOM 981 N ARG A 59 -3.939 8.256 -5.857 1.00 0.00 N ATOM 982 CA ARG A 59 -2.903 7.535 -6.571 1.00 0.00 C ATOM 983 C ARG A 59 -3.498 6.692 -7.692 1.00 0.00 C ATOM 984 O ARG A 59 -2.940 6.621 -8.785 1.00 0.00 O ATOM 985 CB ARG A 59 -2.101 6.677 -5.608 1.00 0.00 C ATOM 986 CG ARG A 59 -1.366 7.535 -4.616 1.00 0.00 C ATOM 987 CD ARG A 59 -0.623 6.738 -3.577 1.00 0.00 C ATOM 988 NE ARG A 59 -0.325 7.601 -2.454 1.00 0.00 N ATOM 989 CZ ARG A 59 0.865 7.723 -1.880 1.00 0.00 C ATOM 990 NH1 ARG A 59 1.903 7.034 -2.335 1.00 0.00 N ATOM 991 NH2 ARG A 59 1.014 8.550 -0.855 1.00 0.00 N ATOM 0 H ARG A 59 -4.089 7.936 -4.900 1.00 0.00 H new ATOM 0 HA ARG A 59 -2.229 8.260 -7.027 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -2.767 5.993 -5.082 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -1.390 6.065 -6.164 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -0.660 8.172 -5.149 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -2.077 8.194 -4.119 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -1.224 5.889 -3.252 1.00 0.00 H new ATOM 0 HD3 ARG A 59 0.298 6.334 -3.998 1.00 0.00 H new ATOM 0 HE ARG A 59 -1.090 8.159 -2.074 1.00 0.00 H new ATOM 0 HH11 ARG A 59 1.789 6.406 -3.131 1.00 0.00 H new ATOM 0 HH12 ARG A 59 2.815 7.132 -1.889 1.00 0.00 H new ATOM 0 HH21 ARG A 59 0.217 9.087 -0.513 1.00 0.00 H new ATOM 0 HH22 ARG A 59 1.926 8.649 -0.408 1.00 0.00 H new ATOM 1005 N LEU A 60 -4.649 6.073 -7.414 1.00 0.00 N ATOM 1006 CA LEU A 60 -5.350 5.264 -8.412 1.00 0.00 C ATOM 1007 C LEU A 60 -5.687 6.099 -9.638 1.00 0.00 C ATOM 1008 O LEU A 60 -5.534 5.644 -10.767 1.00 0.00 O ATOM 1009 CB LEU A 60 -6.644 4.674 -7.842 1.00 0.00 C ATOM 1010 CG LEU A 60 -6.489 3.792 -6.605 1.00 0.00 C ATOM 1011 CD1 LEU A 60 -7.826 3.182 -6.219 1.00 0.00 C ATOM 1012 CD2 LEU A 60 -5.449 2.705 -6.838 1.00 0.00 C ATOM 0 H LEU A 60 -5.114 6.117 -6.507 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.683 4.450 -8.694 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.317 5.495 -7.596 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.128 4.088 -8.623 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.143 4.417 -5.782 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -7.699 2.556 -5.336 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.539 3.977 -6.001 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.200 2.575 -7.043 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.358 2.091 -5.942 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.757 2.080 -7.676 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.486 3.165 -7.063 1.00 0.00 H new ATOM 1024 N ARG A 61 -6.141 7.324 -9.403 1.00 0.00 N ATOM 1025 CA ARG A 61 -6.507 8.224 -10.488 1.00 0.00 C ATOM 1026 C ARG A 61 -5.290 8.537 -11.355 1.00 0.00 C ATOM 1027 O ARG A 61 -5.371 8.518 -12.585 1.00 0.00 O ATOM 1028 CB ARG A 61 -7.110 9.512 -9.924 1.00 0.00 C ATOM 1029 CG ARG A 61 -7.712 10.424 -10.979 1.00 0.00 C ATOM 1030 CD ARG A 61 -8.299 11.678 -10.350 1.00 0.00 C ATOM 1031 NE ARG A 61 -9.049 12.482 -11.315 1.00 0.00 N ATOM 1032 CZ ARG A 61 -9.622 13.649 -11.024 1.00 0.00 C ATOM 1033 NH1 ARG A 61 -9.480 14.175 -9.815 1.00 0.00 N ATOM 1034 NH2 ARG A 61 -10.318 14.301 -11.944 1.00 0.00 N ATOM 0 H ARG A 61 -6.264 7.717 -8.470 1.00 0.00 H new ATOM 0 HA ARG A 61 -7.255 7.734 -11.112 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -7.881 9.253 -9.199 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.336 10.058 -9.385 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -6.947 10.701 -11.704 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -8.489 9.890 -11.525 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.955 11.396 -9.527 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -7.495 12.280 -9.925 1.00 0.00 H new ATOM 0 HE ARG A 61 -9.139 12.128 -12.267 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -8.932 13.686 -9.107 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -9.919 15.069 -9.593 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -10.417 13.910 -12.881 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -10.754 15.194 -11.715 1.00 0.00 H new ATOM 1048 N ALA A 62 -4.161 8.800 -10.706 1.00 0.00 N ATOM 1049 CA ALA A 62 -2.924 9.096 -11.413 1.00 0.00 C ATOM 1050 C ALA A 62 -2.434 7.872 -12.178 1.00 0.00 C ATOM 1051 O ALA A 62 -2.109 7.959 -13.359 1.00 0.00 O ATOM 1052 CB ALA A 62 -1.859 9.576 -10.438 1.00 0.00 C ATOM 0 H ALA A 62 -4.079 8.814 -9.689 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.121 9.891 -12.132 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.940 9.793 -10.982 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -2.206 10.479 -9.936 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.668 8.800 -9.697 1.00 0.00 H new ATOM 1058 N LEU A 63 -2.408 6.732 -11.497 1.00 0.00 N ATOM 1059 CA LEU A 63 -1.969 5.473 -12.092 1.00 0.00 C ATOM 1060 C LEU A 63 -2.880 5.048 -13.224 1.00 0.00 C ATOM 1061 O LEU A 63 -2.461 4.344 -14.143 1.00 0.00 O ATOM 1062 CB LEU A 63 -1.910 4.376 -11.023 1.00 0.00 C ATOM 1063 CG LEU A 63 -0.919 4.629 -9.882 1.00 0.00 C ATOM 1064 CD1 LEU A 63 -1.145 3.643 -8.750 1.00 0.00 C ATOM 1065 CD2 LEU A 63 0.513 4.535 -10.388 1.00 0.00 C ATOM 0 H LEU A 63 -2.690 6.653 -10.520 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.972 5.628 -12.504 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.906 4.252 -10.597 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -1.650 3.434 -11.506 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.086 5.636 -9.501 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.432 3.839 -7.949 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.160 3.754 -8.368 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.006 2.627 -9.119 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.203 4.717 -9.564 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.690 3.540 -10.796 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.673 5.280 -11.167 1.00 0.00 H new ATOM 1077 N HIS A 64 -4.122 5.474 -13.154 1.00 0.00 N ATOM 1078 CA HIS A 64 -5.081 5.151 -14.183 1.00 0.00 C ATOM 1079 C HIS A 64 -4.894 6.062 -15.392 1.00 0.00 C ATOM 1080 O HIS A 64 -5.252 5.702 -16.512 1.00 0.00 O ATOM 1081 CB HIS A 64 -6.507 5.272 -13.626 1.00 0.00 C ATOM 1082 CG HIS A 64 -7.595 4.990 -14.619 1.00 0.00 C ATOM 1083 ND1 HIS A 64 -8.372 5.980 -15.178 1.00 0.00 N ATOM 1084 CD2 HIS A 64 -8.052 3.823 -15.128 1.00 0.00 C ATOM 1085 CE1 HIS A 64 -9.261 5.434 -15.987 1.00 0.00 C ATOM 1086 NE2 HIS A 64 -9.092 4.124 -15.977 1.00 0.00 N ATOM 0 H HIS A 64 -4.490 6.046 -12.394 1.00 0.00 H new ATOM 0 HA HIS A 64 -4.919 4.123 -14.506 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -6.614 4.585 -12.786 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -6.645 6.279 -13.233 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -8.276 6.979 -14.996 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -7.671 2.837 -14.908 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -10.003 5.969 -16.561 1.00 0.00 H new ATOM 1095 N MET A 65 -4.358 7.250 -15.149 1.00 0.00 N ATOM 1096 CA MET A 65 -4.134 8.229 -16.207 1.00 0.00 C ATOM 1097 C MET A 65 -2.788 8.014 -16.900 1.00 0.00 C ATOM 1098 O MET A 65 -2.723 7.893 -18.122 1.00 0.00 O ATOM 1099 CB MET A 65 -4.207 9.646 -15.628 1.00 0.00 C ATOM 1100 CG MET A 65 -3.877 10.740 -16.634 1.00 0.00 C ATOM 1101 SD MET A 65 -4.046 12.396 -15.941 1.00 0.00 S ATOM 1102 CE MET A 65 -5.800 12.430 -15.587 1.00 0.00 C ATOM 0 H MET A 65 -4.068 7.562 -14.222 1.00 0.00 H new ATOM 0 HA MET A 65 -4.916 8.099 -16.955 1.00 0.00 H new ATOM 0 HB2 MET A 65 -5.210 9.817 -15.236 1.00 0.00 H new ATOM 0 HB3 MET A 65 -3.519 9.720 -14.786 1.00 0.00 H new ATOM 0 HG2 MET A 65 -2.857 10.603 -16.992 1.00 0.00 H new ATOM 0 HG3 MET A 65 -4.534 10.643 -17.498 1.00 0.00 H new ATOM 0 HE1 MET A 65 -6.140 13.464 -15.530 1.00 0.00 H new ATOM 0 HE2 MET A 65 -6.341 11.913 -16.380 1.00 0.00 H new ATOM 0 HE3 MET A 65 -5.989 11.933 -14.635 1.00 0.00 H new ATOM 1112 N LYS A 66 -1.724 7.945 -16.107 1.00 0.00 N ATOM 1113 CA LYS A 66 -0.365 7.921 -16.639 1.00 0.00 C ATOM 1114 C LYS A 66 -0.071 6.641 -17.419 1.00 0.00 C ATOM 1115 O LYS A 66 0.801 6.627 -18.289 1.00 0.00 O ATOM 1116 CB LYS A 66 0.655 8.111 -15.502 1.00 0.00 C ATOM 1117 CG LYS A 66 0.673 6.993 -14.466 1.00 0.00 C ATOM 1118 CD LYS A 66 1.752 5.963 -14.764 1.00 0.00 C ATOM 1119 CE LYS A 66 1.679 4.789 -13.801 1.00 0.00 C ATOM 1120 NZ LYS A 66 2.790 3.824 -14.009 1.00 0.00 N ATOM 0 H LYS A 66 -1.777 7.905 -15.089 1.00 0.00 H new ATOM 0 HA LYS A 66 -0.275 8.749 -17.342 1.00 0.00 H new ATOM 0 HB2 LYS A 66 1.650 8.200 -15.937 1.00 0.00 H new ATOM 0 HB3 LYS A 66 0.443 9.053 -14.996 1.00 0.00 H new ATOM 0 HG2 LYS A 66 0.840 7.418 -13.476 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -0.300 6.503 -14.443 1.00 0.00 H new ATOM 0 HD2 LYS A 66 1.642 5.604 -15.787 1.00 0.00 H new ATOM 0 HD3 LYS A 66 2.734 6.432 -14.695 1.00 0.00 H new ATOM 0 HE2 LYS A 66 1.708 5.159 -12.776 1.00 0.00 H new ATOM 0 HE3 LYS A 66 0.726 4.276 -13.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 2.700 3.040 -13.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 2.748 3.450 -14.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 3.700 4.306 -13.863 1.00 0.00 H new ATOM 1134 N GLU A 67 -0.794 5.570 -17.124 1.00 0.00 N ATOM 1135 CA GLU A 67 -0.538 4.300 -17.781 1.00 0.00 C ATOM 1136 C GLU A 67 -1.740 3.854 -18.600 1.00 0.00 C ATOM 1137 O GLU A 67 -2.860 3.776 -18.094 1.00 0.00 O ATOM 1138 CB GLU A 67 -0.152 3.233 -16.755 1.00 0.00 C ATOM 1139 CG GLU A 67 0.313 1.930 -17.384 1.00 0.00 C ATOM 1140 CD GLU A 67 1.124 1.086 -16.428 1.00 0.00 C ATOM 1141 OE1 GLU A 67 0.528 0.322 -15.645 1.00 0.00 O ATOM 1142 OE2 GLU A 67 2.368 1.187 -16.454 1.00 0.00 O ATOM 0 H GLU A 67 -1.553 5.556 -16.443 1.00 0.00 H new ATOM 0 HA GLU A 67 0.299 4.436 -18.466 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.641 3.623 -16.117 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.008 3.032 -16.112 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.555 1.362 -17.720 1.00 0.00 H new ATOM 0 HG3 GLU A 67 0.912 2.150 -18.268 1.00 0.00 H new ATOM 1149 N HIS A 68 -1.490 3.580 -19.872 1.00 0.00 N ATOM 1150 CA HIS A 68 -2.528 3.150 -20.799 1.00 0.00 C ATOM 1151 C HIS A 68 -1.891 2.468 -22.015 1.00 0.00 C ATOM 1152 O HIS A 68 -1.603 3.109 -23.022 1.00 0.00 O ATOM 1153 CB HIS A 68 -3.423 4.338 -21.222 1.00 0.00 C ATOM 1154 CG HIS A 68 -2.715 5.477 -21.916 1.00 0.00 C ATOM 1155 ND1 HIS A 68 -3.306 6.228 -22.909 1.00 0.00 N ATOM 1156 CD2 HIS A 68 -1.472 5.993 -21.754 1.00 0.00 C ATOM 1157 CE1 HIS A 68 -2.458 7.148 -23.329 1.00 0.00 C ATOM 1158 NE2 HIS A 68 -1.338 7.030 -22.644 1.00 0.00 N ATOM 0 H HIS A 68 -0.563 3.649 -20.291 1.00 0.00 H new ATOM 0 HA HIS A 68 -3.170 2.427 -20.296 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -4.204 3.963 -21.884 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -3.919 4.730 -20.334 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -4.253 6.094 -23.264 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -0.724 5.651 -21.054 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -2.650 7.875 -24.104 1.00 0.00 H new ATOM 1167 N PRO A 69 -1.615 1.159 -21.913 1.00 0.00 N ATOM 1168 CA PRO A 69 -0.917 0.421 -22.968 1.00 0.00 C ATOM 1169 C PRO A 69 -1.803 0.152 -24.180 1.00 0.00 C ATOM 1170 O PRO A 69 -1.490 0.562 -25.299 1.00 0.00 O ATOM 1171 CB PRO A 69 -0.524 -0.903 -22.289 1.00 0.00 C ATOM 1172 CG PRO A 69 -0.853 -0.736 -20.837 1.00 0.00 C ATOM 1173 CD PRO A 69 -1.935 0.300 -20.771 1.00 0.00 C ATOM 0 HA PRO A 69 -0.069 0.985 -23.356 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -1.073 -1.740 -22.720 1.00 0.00 H new ATOM 0 HB3 PRO A 69 0.537 -1.113 -22.427 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -1.189 -1.678 -20.403 1.00 0.00 H new ATOM 0 HG3 PRO A 69 0.024 -0.420 -20.273 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -2.927 -0.142 -20.860 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -1.915 0.850 -19.830 1.00 0.00 H new ATOM 1181 N ASP A 70 -2.909 -0.528 -23.950 1.00 0.00 N ATOM 1182 CA ASP A 70 -3.885 -0.772 -25.002 1.00 0.00 C ATOM 1183 C ASP A 70 -5.192 -0.076 -24.683 1.00 0.00 C ATOM 1184 O ASP A 70 -5.990 0.217 -25.574 1.00 0.00 O ATOM 1185 CB ASP A 70 -4.127 -2.269 -25.196 1.00 0.00 C ATOM 1186 CG ASP A 70 -3.151 -2.898 -26.168 1.00 0.00 C ATOM 1187 OD1 ASP A 70 -3.295 -2.669 -27.387 1.00 0.00 O ATOM 1188 OD2 ASP A 70 -2.240 -3.626 -25.724 1.00 0.00 O ATOM 0 H ASP A 70 -3.157 -0.923 -23.043 1.00 0.00 H new ATOM 0 HA ASP A 70 -3.482 -0.367 -25.930 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -4.050 -2.773 -24.233 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.144 -2.425 -25.557 1.00 0.00 H new ATOM 1193 N TYR A 71 -5.397 0.201 -23.404 1.00 0.00 N ATOM 1194 CA TYR A 71 -6.657 0.747 -22.937 1.00 0.00 C ATOM 1195 C TYR A 71 -6.559 1.155 -21.476 1.00 0.00 C ATOM 1196 O TYR A 71 -5.584 0.834 -20.792 1.00 0.00 O ATOM 1197 CB TYR A 71 -7.785 -0.278 -23.127 1.00 0.00 C ATOM 1198 CG TYR A 71 -7.565 -1.571 -22.380 1.00 0.00 C ATOM 1199 CD1 TYR A 71 -7.825 -1.647 -21.022 1.00 0.00 C ATOM 1200 CD2 TYR A 71 -7.095 -2.711 -23.024 1.00 0.00 C ATOM 1201 CE1 TYR A 71 -7.624 -2.809 -20.322 1.00 0.00 C ATOM 1202 CE2 TYR A 71 -6.893 -3.887 -22.326 1.00 0.00 C ATOM 1203 CZ TYR A 71 -7.158 -3.930 -20.975 1.00 0.00 C ATOM 1204 OH TYR A 71 -6.957 -5.098 -20.272 1.00 0.00 O ATOM 0 H TYR A 71 -4.703 0.055 -22.671 1.00 0.00 H new ATOM 0 HA TYR A 71 -6.885 1.635 -23.527 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -8.725 0.165 -22.799 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -7.890 -0.496 -24.190 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -8.193 -0.774 -20.504 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -6.885 -2.677 -24.083 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -7.830 -2.846 -19.262 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -6.530 -4.767 -22.837 1.00 0.00 H new ATOM 0 HH TYR A 71 -6.628 -5.793 -20.880 1.00 0.00 H new ATOM 1214 N LYS A 72 -7.572 1.868 -21.013 1.00 0.00 N ATOM 1215 CA LYS A 72 -7.725 2.164 -19.603 1.00 0.00 C ATOM 1216 C LYS A 72 -8.857 1.316 -19.049 1.00 0.00 C ATOM 1217 O LYS A 72 -9.600 0.708 -19.818 1.00 0.00 O ATOM 1218 CB LYS A 72 -8.011 3.654 -19.368 1.00 0.00 C ATOM 1219 CG LYS A 72 -6.840 4.587 -19.667 1.00 0.00 C ATOM 1220 CD LYS A 72 -7.168 6.017 -19.246 1.00 0.00 C ATOM 1221 CE LYS A 72 -5.947 6.932 -19.278 1.00 0.00 C ATOM 1222 NZ LYS A 72 -5.542 7.303 -20.657 1.00 0.00 N ATOM 0 H LYS A 72 -8.308 2.256 -21.604 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.793 1.929 -19.089 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -8.859 3.949 -19.987 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -8.311 3.792 -18.329 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -5.950 4.242 -19.140 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -6.610 4.560 -20.732 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -7.936 6.419 -19.906 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -7.585 6.009 -18.239 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -6.163 7.838 -18.711 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -5.114 6.436 -18.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -4.709 7.924 -20.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -5.308 6.443 -21.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -6.325 7.802 -21.126 1.00 0.00 H new ATOM 1236 N TYR A 73 -8.968 1.266 -17.725 1.00 0.00 N ATOM 1237 CA TYR A 73 -9.993 0.459 -17.064 1.00 0.00 C ATOM 1238 C TYR A 73 -11.374 0.689 -17.661 1.00 0.00 C ATOM 1239 O TYR A 73 -11.953 1.772 -17.537 1.00 0.00 O ATOM 1240 CB TYR A 73 -10.026 0.753 -15.565 1.00 0.00 C ATOM 1241 CG TYR A 73 -9.006 -0.025 -14.765 1.00 0.00 C ATOM 1242 CD1 TYR A 73 -7.646 0.090 -15.022 1.00 0.00 C ATOM 1243 CD2 TYR A 73 -9.410 -0.874 -13.743 1.00 0.00 C ATOM 1244 CE1 TYR A 73 -6.717 -0.620 -14.281 1.00 0.00 C ATOM 1245 CE2 TYR A 73 -8.490 -1.588 -13.000 1.00 0.00 C ATOM 1246 CZ TYR A 73 -7.147 -1.459 -13.271 1.00 0.00 C ATOM 1247 OH TYR A 73 -6.230 -2.172 -12.528 1.00 0.00 O ATOM 0 H TYR A 73 -8.359 1.776 -17.085 1.00 0.00 H new ATOM 0 HA TYR A 73 -9.727 -0.586 -17.224 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -9.858 1.819 -15.410 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -11.022 0.528 -15.182 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -7.308 0.744 -15.812 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -10.463 -0.978 -13.525 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -5.662 -0.519 -14.491 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -8.823 -2.245 -12.210 1.00 0.00 H new ATOM 0 HH TYR A 73 -6.580 -2.313 -11.624 1.00 0.00 H new ATOM 1257 N ARG A 74 -11.865 -0.338 -18.333 1.00 0.00 N ATOM 1258 CA ARG A 74 -13.221 -0.351 -18.868 1.00 0.00 C ATOM 1259 C ARG A 74 -14.241 -0.573 -17.754 1.00 0.00 C ATOM 1260 O ARG A 74 -13.917 -1.147 -16.715 1.00 0.00 O ATOM 1261 CB ARG A 74 -13.371 -1.456 -19.918 1.00 0.00 C ATOM 1262 CG ARG A 74 -12.931 -2.825 -19.424 1.00 0.00 C ATOM 1263 CD ARG A 74 -13.582 -3.946 -20.215 1.00 0.00 C ATOM 1264 NE ARG A 74 -15.008 -4.064 -19.915 1.00 0.00 N ATOM 1265 CZ ARG A 74 -15.705 -5.190 -20.043 1.00 0.00 C ATOM 1266 NH1 ARG A 74 -15.125 -6.289 -20.519 1.00 0.00 N ATOM 1267 NH2 ARG A 74 -16.984 -5.213 -19.700 1.00 0.00 N ATOM 0 H ARG A 74 -11.336 -1.189 -18.525 1.00 0.00 H new ATOM 0 HA ARG A 74 -13.406 0.618 -19.332 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -14.414 -1.509 -20.232 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -12.786 -1.191 -20.799 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -11.847 -2.908 -19.501 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -13.185 -2.930 -18.369 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -13.449 -3.764 -21.281 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -13.083 -4.888 -19.988 1.00 0.00 H new ATOM 0 HE ARG A 74 -15.499 -3.232 -19.587 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -14.141 -6.271 -20.788 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -15.664 -7.150 -20.615 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -17.431 -4.370 -19.340 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -17.522 -6.074 -19.796 1.00 0.00 H new ATOM 1281 N PRO A 75 -15.488 -0.118 -17.957 1.00 0.00 N ATOM 1282 CA PRO A 75 -16.560 -0.315 -16.984 1.00 0.00 C ATOM 1283 C PRO A 75 -17.062 -1.759 -16.951 1.00 0.00 C ATOM 1284 O PRO A 75 -17.179 -2.419 -17.987 1.00 0.00 O ATOM 1285 CB PRO A 75 -17.662 0.627 -17.473 1.00 0.00 C ATOM 1286 CG PRO A 75 -17.429 0.757 -18.938 1.00 0.00 C ATOM 1287 CD PRO A 75 -15.944 0.638 -19.139 1.00 0.00 C ATOM 0 HA PRO A 75 -16.228 -0.110 -15.966 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -18.651 0.220 -17.264 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -17.604 1.595 -16.976 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -17.960 -0.021 -19.487 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -17.796 1.715 -19.307 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -15.706 0.114 -20.065 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -15.468 1.617 -19.196 1.00 0.00 H new ATOM 1295 N ARG A 76 -17.337 -2.243 -15.746 1.00 0.00 N ATOM 1296 CA ARG A 76 -17.898 -3.577 -15.555 1.00 0.00 C ATOM 1297 C ARG A 76 -19.415 -3.541 -15.719 1.00 0.00 C ATOM 1298 O ARG A 76 -20.036 -4.538 -16.094 1.00 0.00 O ATOM 1299 CB ARG A 76 -17.540 -4.105 -14.157 1.00 0.00 C ATOM 1300 CG ARG A 76 -18.229 -5.415 -13.793 1.00 0.00 C ATOM 1301 CD ARG A 76 -18.062 -5.746 -12.318 1.00 0.00 C ATOM 1302 NE ARG A 76 -18.481 -4.635 -11.457 1.00 0.00 N ATOM 1303 CZ ARG A 76 -19.445 -4.712 -10.533 1.00 0.00 C ATOM 1304 NH1 ARG A 76 -20.111 -5.847 -10.339 1.00 0.00 N ATOM 1305 NH2 ARG A 76 -19.742 -3.640 -9.803 1.00 0.00 N ATOM 0 H ARG A 76 -17.180 -1.728 -14.880 1.00 0.00 H new ATOM 0 HA ARG A 76 -17.476 -4.243 -16.308 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -16.461 -4.246 -14.099 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -17.804 -3.350 -13.416 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -19.290 -5.347 -14.033 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -17.816 -6.223 -14.397 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -18.648 -6.633 -12.077 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -17.019 -5.988 -12.116 1.00 0.00 H new ATOM 0 HE ARG A 76 -18.004 -3.741 -11.571 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -19.889 -6.671 -10.898 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -20.844 -5.894 -9.631 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -19.236 -2.767 -9.950 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -20.476 -3.691 -9.097 1.00 0.00 H new ATOM 1319 N ARG A 77 -19.995 -2.371 -15.444 1.00 0.00 N ATOM 1320 CA ARG A 77 -21.449 -2.183 -15.425 1.00 0.00 C ATOM 1321 C ARG A 77 -22.074 -2.943 -14.256 1.00 0.00 C ATOM 1322 O ARG A 77 -21.361 -3.560 -13.462 1.00 0.00 O ATOM 1323 CB ARG A 77 -22.093 -2.580 -16.759 1.00 0.00 C ATOM 1324 CG ARG A 77 -21.783 -1.601 -17.880 1.00 0.00 C ATOM 1325 CD ARG A 77 -22.482 -1.977 -19.174 1.00 0.00 C ATOM 1326 NE ARG A 77 -22.264 -0.971 -20.213 1.00 0.00 N ATOM 1327 CZ ARG A 77 -22.622 -1.126 -21.486 1.00 0.00 C ATOM 1328 NH1 ARG A 77 -23.203 -2.251 -21.881 1.00 0.00 N ATOM 1329 NH2 ARG A 77 -22.399 -0.159 -22.364 1.00 0.00 N ATOM 0 H ARG A 77 -19.469 -1.524 -15.227 1.00 0.00 H new ATOM 0 HA ARG A 77 -21.645 -1.120 -15.283 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -21.744 -3.573 -17.044 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -23.173 -2.646 -16.630 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -22.089 -0.599 -17.581 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -20.706 -1.569 -18.046 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -22.115 -2.944 -19.519 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -23.551 -2.088 -18.992 1.00 0.00 H new ATOM 0 HE ARG A 77 -21.810 -0.097 -19.946 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -23.376 -2.999 -21.209 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -23.477 -2.368 -22.857 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -21.952 0.708 -22.065 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -22.675 -0.281 -23.338 1.00 0.00 H new ATOM 1343 N LYS A 78 -23.399 -2.853 -14.134 1.00 0.00 N ATOM 1344 CA LYS A 78 -24.125 -3.397 -12.979 1.00 0.00 C ATOM 1345 C LYS A 78 -23.702 -2.702 -11.687 1.00 0.00 C ATOM 1346 O LYS A 78 -24.055 -3.129 -10.590 1.00 0.00 O ATOM 1347 CB LYS A 78 -23.942 -4.915 -12.862 1.00 0.00 C ATOM 1348 CG LYS A 78 -24.877 -5.707 -13.760 1.00 0.00 C ATOM 1349 CD LYS A 78 -26.333 -5.450 -13.398 1.00 0.00 C ATOM 1350 CE LYS A 78 -27.285 -6.227 -14.292 1.00 0.00 C ATOM 1351 NZ LYS A 78 -28.710 -5.932 -13.976 1.00 0.00 N ATOM 0 H LYS A 78 -23.999 -2.405 -14.827 1.00 0.00 H new ATOM 0 HA LYS A 78 -25.185 -3.201 -13.141 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -22.911 -5.169 -13.109 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -24.105 -5.214 -11.827 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -24.704 -5.434 -14.801 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -24.659 -6.771 -13.669 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -26.503 -5.728 -12.358 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -26.545 -4.384 -13.481 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -27.086 -5.981 -15.335 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -27.101 -7.295 -14.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -29.327 -6.482 -14.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -28.907 -6.191 -12.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -28.893 -4.917 -14.111 1.00 0.00 H new ATOM 1365 N THR A 79 -22.962 -1.613 -11.833 1.00 0.00 N ATOM 1366 CA THR A 79 -22.547 -0.809 -10.701 1.00 0.00 C ATOM 1367 C THR A 79 -23.533 0.335 -10.519 1.00 0.00 C ATOM 1368 O THR A 79 -23.392 1.397 -11.126 1.00 0.00 O ATOM 1369 CB THR A 79 -21.129 -0.249 -10.909 1.00 0.00 C ATOM 1370 OG1 THR A 79 -20.278 -1.285 -11.423 1.00 0.00 O ATOM 1371 CG2 THR A 79 -20.552 0.283 -9.603 1.00 0.00 C ATOM 0 H THR A 79 -22.636 -1.266 -12.735 1.00 0.00 H new ATOM 0 HA THR A 79 -22.532 -1.437 -9.810 1.00 0.00 H new ATOM 0 HB THR A 79 -21.185 0.576 -11.620 1.00 0.00 H new ATOM 0 HG1 THR A 79 -19.375 -0.930 -11.558 1.00 0.00 H new ATOM 0 HG21 THR A 79 -19.549 0.672 -9.780 1.00 0.00 H new ATOM 0 HG22 THR A 79 -21.189 1.081 -9.222 1.00 0.00 H new ATOM 0 HG23 THR A 79 -20.504 -0.523 -8.871 1.00 0.00 H new ATOM 1379 N LYS A 80 -24.543 0.088 -9.707 1.00 0.00 N ATOM 1380 CA LYS A 80 -25.668 0.996 -9.558 1.00 0.00 C ATOM 1381 C LYS A 80 -26.589 0.454 -8.476 1.00 0.00 C ATOM 1382 O LYS A 80 -27.053 1.185 -7.600 1.00 0.00 O ATOM 1383 CB LYS A 80 -26.434 1.106 -10.883 1.00 0.00 C ATOM 1384 CG LYS A 80 -27.570 2.117 -10.864 1.00 0.00 C ATOM 1385 CD LYS A 80 -28.434 2.009 -12.118 1.00 0.00 C ATOM 1386 CE LYS A 80 -27.628 2.228 -13.395 1.00 0.00 C ATOM 1387 NZ LYS A 80 -27.135 3.624 -13.522 1.00 0.00 N ATOM 0 H LYS A 80 -24.608 -0.750 -9.130 1.00 0.00 H new ATOM 0 HA LYS A 80 -25.308 1.987 -9.281 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -25.734 1.378 -11.673 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -26.838 0.127 -11.138 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -28.187 1.956 -9.980 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -27.161 3.124 -10.788 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -28.903 1.025 -12.151 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -29.238 2.743 -12.067 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -26.780 1.544 -13.408 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -28.247 1.984 -14.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -26.594 3.722 -14.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -27.944 4.278 -13.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -26.522 3.851 -12.713 1.00 0.00 H new ATOM 1401 N THR A 81 -26.819 -0.846 -8.544 1.00 0.00 N ATOM 1402 CA THR A 81 -27.678 -1.536 -7.604 1.00 0.00 C ATOM 1403 C THR A 81 -26.846 -2.254 -6.544 1.00 0.00 C ATOM 1404 O THR A 81 -26.803 -1.772 -5.395 1.00 0.00 O ATOM 1405 CB THR A 81 -28.573 -2.547 -8.339 1.00 0.00 C ATOM 1406 OG1 THR A 81 -27.774 -3.325 -9.241 1.00 0.00 O ATOM 1407 CG2 THR A 81 -29.674 -1.836 -9.114 1.00 0.00 C ATOM 1408 OXT THR A 81 -26.201 -3.274 -6.881 1.00 0.00 O ATOM 0 H THR A 81 -26.413 -1.453 -9.256 1.00 0.00 H new ATOM 0 HA THR A 81 -28.309 -0.796 -7.112 1.00 0.00 H new ATOM 0 HB THR A 81 -29.039 -3.199 -7.600 1.00 0.00 H new ATOM 0 HG1 THR A 81 -26.947 -3.599 -8.792 1.00 0.00 H new ATOM 0 HG21 THR A 81 -30.293 -2.573 -9.625 1.00 0.00 H new ATOM 0 HG22 THR A 81 -30.291 -1.260 -8.424 1.00 0.00 H new ATOM 0 HG23 THR A 81 -29.227 -1.166 -9.848 1.00 0.00 H new TER 1416 THR A 81