USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 770 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 26 MET CE :methyl -119:sc= -2.48 (180deg=-3.03!) USER MOD Set 1.2: A 80 CYS SG : rot -120:sc= -0.283 USER MOD Set 1.3: A 88 THR OG1 : rot 79:sc= -0.439 USER MOD Set 2.1: A 62 HIS : no HD1:sc= -0.603 K(o=-1.2,f=0.075) USER MOD Set 2.2: A 66 ASN : amide:sc= -0.629 X(o=-1.2,f=-0.88) USER MOD Set 3.1: A 48 THR OG1 : rot 180:sc= -0.0594 USER MOD Set 3.2: A 49 THR OG1 : rot 107:sc= 0.93 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0394) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot -69:sc= 1.3 USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 CYS SG : rot 71:sc= 0.838 USER MOD Single : A 35 ASN : amide:sc= 1.84 K(o=1.8,f=-4.4!) USER MOD Single : A 37 TYR OH : rot -130:sc= -2.76! USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 CYS SG : rot -97:sc= -3.58! USER MOD Single : A 43 LYS NZ :NH3+ -169:sc= -0.0232 (180deg=-0.179) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -142:sc= -1.05 (180deg=-3.24!) USER MOD Single : A 55 HIS : no HD1:sc= -0.0198 X(o=-0.02,f=-0.0017) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 66:sc= -0.253! USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 138:sc= -0.705 (180deg=-2.75!) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 CYS SG : rot -101:sc= 1.3 USER MOD Single : A 73 LYS NZ :NH3+ -156:sc= 1.25 (180deg=1.08) USER MOD Single : A 74 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 81 ASN : amide:sc= -4.56! C(o=-4.6!,f=-17!) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=-0.0073) USER MOD Single : A 87 LYS NZ :NH3+ 152:sc= -1.2! (180deg=-1.33!) USER MOD Single : A 89 LYS NZ :NH3+ -135:sc=-0.00844 (180deg=-1.78!) USER MOD Single : A 91 TYR OH : rot -82:sc= 0.892 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 MET CE :methyl 163:sc= -2.36 (180deg=-3.2!) USER MOD Single : A 97 GLN : amide:sc= 0.0334 K(o=0.033,f=-4.6!) USER MOD Single : A 98 LYS NZ :NH3+ -147:sc= -2.82! (180deg=-4.7!) USER MOD Single : A 103 TYR OH : rot 180:sc= -0.547 USER MOD Single : A 104 LYS NZ :NH3+ -124:sc= 0.783 (180deg=-0.133) USER MOD ----------------------------------------------------------------- ATOM 103 N LYS A 17 2.728 -13.621 7.293 1.00 0.00 N ATOM 104 CA LYS A 17 3.949 -13.117 6.729 1.00 0.00 C ATOM 105 C LYS A 17 3.638 -12.266 5.508 1.00 0.00 C ATOM 106 O LYS A 17 4.124 -11.150 5.381 1.00 0.00 O ATOM 107 CB LYS A 17 4.937 -14.244 6.334 1.00 0.00 C ATOM 108 CG LYS A 17 5.627 -14.968 7.494 1.00 0.00 C ATOM 109 CD LYS A 17 4.746 -15.968 8.239 1.00 0.00 C ATOM 110 CE LYS A 17 4.473 -17.232 7.417 1.00 0.00 C ATOM 111 NZ LYS A 17 3.725 -18.246 8.205 1.00 0.00 N ATOM 0 HA LYS A 17 4.432 -12.517 7.500 1.00 0.00 H new ATOM 0 HB2 LYS A 17 4.397 -14.982 5.741 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.705 -13.817 5.689 1.00 0.00 H new ATOM 0 HG2 LYS A 17 6.501 -15.492 7.108 1.00 0.00 H new ATOM 0 HG3 LYS A 17 5.989 -14.224 8.204 1.00 0.00 H new ATOM 0 HD2 LYS A 17 5.228 -16.245 9.177 1.00 0.00 H new ATOM 0 HD3 LYS A 17 3.799 -15.493 8.496 1.00 0.00 H new ATOM 0 HE2 LYS A 17 3.903 -16.971 6.525 1.00 0.00 H new ATOM 0 HE3 LYS A 17 5.418 -17.658 7.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 3.558 -19.088 7.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 4.280 -18.513 9.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 2.813 -17.848 8.507 1.00 0.00 H new ATOM 125 N SER A 18 2.756 -12.768 4.651 1.00 0.00 N ATOM 126 CA SER A 18 2.496 -12.144 3.367 1.00 0.00 C ATOM 127 C SER A 18 1.927 -10.715 3.491 1.00 0.00 C ATOM 128 O SER A 18 2.239 -9.887 2.675 1.00 0.00 O ATOM 129 CB SER A 18 1.612 -13.037 2.483 1.00 0.00 C ATOM 130 OG SER A 18 1.639 -12.629 1.117 1.00 0.00 O ATOM 0 H SER A 18 2.208 -13.610 4.827 1.00 0.00 H new ATOM 0 HA SER A 18 3.462 -12.036 2.875 1.00 0.00 H new ATOM 0 HB2 SER A 18 1.949 -14.071 2.560 1.00 0.00 H new ATOM 0 HB3 SER A 18 0.586 -13.009 2.850 1.00 0.00 H new ATOM 0 HG SER A 18 1.066 -13.222 0.587 1.00 0.00 H new ATOM 136 N LYS A 19 1.121 -10.432 4.514 1.00 0.00 N ATOM 137 CA LYS A 19 0.551 -9.086 4.685 1.00 0.00 C ATOM 138 C LYS A 19 1.619 -8.125 5.098 1.00 0.00 C ATOM 139 O LYS A 19 1.591 -6.984 4.710 1.00 0.00 O ATOM 140 CB LYS A 19 -0.605 -9.049 5.711 1.00 0.00 C ATOM 141 CG LYS A 19 -1.709 -10.096 5.496 1.00 0.00 C ATOM 142 CD LYS A 19 -2.988 -9.779 6.268 1.00 0.00 C ATOM 143 CE LYS A 19 -2.746 -9.626 7.752 1.00 0.00 C ATOM 144 NZ LYS A 19 -2.184 -10.849 8.365 1.00 0.00 N ATOM 0 H LYS A 19 0.848 -11.104 5.231 1.00 0.00 H new ATOM 0 HA LYS A 19 0.136 -8.796 3.720 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -0.188 -9.185 6.709 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -1.058 -8.058 5.688 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -1.939 -10.161 4.433 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -1.339 -11.075 5.802 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.426 -8.860 5.878 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.715 -10.574 6.102 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -2.064 -8.793 7.921 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -3.685 -9.375 8.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -2.132 -10.728 9.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -2.794 -11.661 8.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -1.230 -11.019 7.988 1.00 0.00 H new ATOM 158 N GLU A 20 2.581 -8.613 5.823 1.00 0.00 N ATOM 159 CA GLU A 20 3.654 -7.789 6.327 1.00 0.00 C ATOM 160 C GLU A 20 4.666 -7.548 5.246 1.00 0.00 C ATOM 161 O GLU A 20 5.176 -6.429 5.089 1.00 0.00 O ATOM 162 CB GLU A 20 4.264 -8.460 7.514 1.00 0.00 C ATOM 163 CG GLU A 20 3.216 -8.790 8.520 1.00 0.00 C ATOM 164 CD GLU A 20 2.608 -7.572 9.187 1.00 0.00 C ATOM 165 OE1 GLU A 20 1.674 -6.968 8.633 1.00 0.00 O ATOM 166 OE2 GLU A 20 3.039 -7.222 10.308 1.00 0.00 O ATOM 0 H GLU A 20 2.650 -9.596 6.086 1.00 0.00 H new ATOM 0 HA GLU A 20 3.270 -6.817 6.638 1.00 0.00 H new ATOM 0 HB2 GLU A 20 4.777 -9.370 7.202 1.00 0.00 H new ATOM 0 HB3 GLU A 20 5.015 -7.809 7.962 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.425 -9.360 8.034 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.649 -9.434 9.285 1.00 0.00 H new ATOM 173 N VAL A 21 4.929 -8.581 4.477 1.00 0.00 N ATOM 174 CA VAL A 21 5.787 -8.471 3.323 1.00 0.00 C ATOM 175 C VAL A 21 5.113 -7.546 2.316 1.00 0.00 C ATOM 176 O VAL A 21 5.747 -6.647 1.777 1.00 0.00 O ATOM 177 CB VAL A 21 6.083 -9.855 2.680 1.00 0.00 C ATOM 178 CG1 VAL A 21 6.932 -9.706 1.431 1.00 0.00 C ATOM 179 CG2 VAL A 21 6.789 -10.767 3.671 1.00 0.00 C ATOM 0 H VAL A 21 4.555 -9.517 4.635 1.00 0.00 H new ATOM 0 HA VAL A 21 6.748 -8.062 3.634 1.00 0.00 H new ATOM 0 HB VAL A 21 5.128 -10.301 2.402 1.00 0.00 H new ATOM 0 HG11 VAL A 21 7.124 -10.689 1.002 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.404 -9.089 0.704 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.879 -9.232 1.689 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.987 -11.731 3.201 1.00 0.00 H new ATOM 0 HG22 VAL A 21 7.731 -10.312 3.977 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.156 -10.913 4.546 1.00 0.00 H new ATOM 189 N PHE A 22 3.800 -7.702 2.168 1.00 0.00 N ATOM 190 CA PHE A 22 3.014 -6.865 1.254 1.00 0.00 C ATOM 191 C PHE A 22 3.056 -5.443 1.712 1.00 0.00 C ATOM 192 O PHE A 22 3.401 -4.547 0.943 1.00 0.00 O ATOM 193 CB PHE A 22 1.542 -7.365 1.167 1.00 0.00 C ATOM 194 CG PHE A 22 0.516 -6.296 0.830 1.00 0.00 C ATOM 195 CD1 PHE A 22 0.466 -5.700 -0.412 1.00 0.00 C ATOM 196 CD2 PHE A 22 -0.377 -5.869 1.794 1.00 0.00 C ATOM 197 CE1 PHE A 22 -0.459 -4.709 -0.682 1.00 0.00 C ATOM 198 CE2 PHE A 22 -1.289 -4.887 1.529 1.00 0.00 C ATOM 199 CZ PHE A 22 -1.340 -4.301 0.297 1.00 0.00 C ATOM 0 H PHE A 22 3.253 -8.402 2.669 1.00 0.00 H new ATOM 0 HA PHE A 22 3.450 -6.933 0.257 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.486 -8.151 0.414 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.272 -7.818 2.121 1.00 0.00 H new ATOM 0 HD1 PHE A 22 1.157 -6.011 -1.182 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.354 -6.320 2.775 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -0.492 -4.254 -1.661 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.976 -4.572 2.301 1.00 0.00 H new ATOM 0 HZ PHE A 22 -2.063 -3.526 0.091 1.00 0.00 H new ATOM 209 N ARG A 23 2.735 -5.234 2.973 1.00 0.00 N ATOM 210 CA ARG A 23 2.763 -3.900 3.516 1.00 0.00 C ATOM 211 C ARG A 23 4.169 -3.311 3.458 1.00 0.00 C ATOM 212 O ARG A 23 4.316 -2.124 3.364 1.00 0.00 O ATOM 213 CB ARG A 23 2.096 -3.801 4.903 1.00 0.00 C ATOM 214 CG ARG A 23 2.827 -4.431 6.075 1.00 0.00 C ATOM 215 CD ARG A 23 3.745 -3.462 6.798 1.00 0.00 C ATOM 216 NE ARG A 23 4.133 -3.967 8.130 1.00 0.00 N ATOM 217 CZ ARG A 23 5.268 -4.606 8.437 1.00 0.00 C ATOM 218 NH1 ARG A 23 5.995 -5.167 7.488 1.00 0.00 N ATOM 219 NH2 ARG A 23 5.597 -4.797 9.706 1.00 0.00 N ATOM 0 H ARG A 23 2.456 -5.963 3.630 1.00 0.00 H new ATOM 0 HA ARG A 23 2.143 -3.272 2.876 1.00 0.00 H new ATOM 0 HB2 ARG A 23 1.943 -2.746 5.129 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.109 -4.259 4.836 1.00 0.00 H new ATOM 0 HG2 ARG A 23 2.096 -4.825 6.781 1.00 0.00 H new ATOM 0 HG3 ARG A 23 3.413 -5.278 5.717 1.00 0.00 H new ATOM 0 HD2 ARG A 23 4.639 -3.292 6.199 1.00 0.00 H new ATOM 0 HD3 ARG A 23 3.246 -2.499 6.905 1.00 0.00 H new ATOM 0 HE ARG A 23 3.471 -3.814 8.891 1.00 0.00 H new ATOM 0 HH11 ARG A 23 5.692 -5.114 6.515 1.00 0.00 H new ATOM 0 HH12 ARG A 23 6.859 -5.653 7.728 1.00 0.00 H new ATOM 0 HH21 ARG A 23 4.985 -4.457 10.448 1.00 0.00 H new ATOM 0 HH22 ARG A 23 6.462 -5.284 9.941 1.00 0.00 H new ATOM 233 N LYS A 24 5.202 -4.157 3.468 1.00 0.00 N ATOM 234 CA LYS A 24 6.560 -3.668 3.317 1.00 0.00 C ATOM 235 C LYS A 24 6.789 -3.122 1.924 1.00 0.00 C ATOM 236 O LYS A 24 7.141 -1.951 1.763 1.00 0.00 O ATOM 237 CB LYS A 24 7.634 -4.710 3.657 1.00 0.00 C ATOM 238 CG LYS A 24 8.099 -4.708 5.099 1.00 0.00 C ATOM 239 CD LYS A 24 8.782 -3.393 5.445 1.00 0.00 C ATOM 240 CE LYS A 24 9.260 -3.357 6.882 1.00 0.00 C ATOM 241 NZ LYS A 24 9.862 -2.051 7.225 1.00 0.00 N ATOM 0 H LYS A 24 5.119 -5.168 3.578 1.00 0.00 H new ATOM 0 HA LYS A 24 6.664 -2.865 4.046 1.00 0.00 H new ATOM 0 HB2 LYS A 24 7.246 -5.700 3.418 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.497 -4.542 3.013 1.00 0.00 H new ATOM 0 HG2 LYS A 24 7.247 -4.866 5.761 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.789 -5.536 5.265 1.00 0.00 H new ATOM 0 HD2 LYS A 24 9.630 -3.240 4.778 1.00 0.00 H new ATOM 0 HD3 LYS A 24 8.089 -2.569 5.274 1.00 0.00 H new ATOM 0 HE2 LYS A 24 8.422 -3.558 7.549 1.00 0.00 H new ATOM 0 HE3 LYS A 24 9.992 -4.149 7.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 10.178 -2.064 8.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 10.677 -1.871 6.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 9.156 -1.299 7.096 1.00 0.00 H new ATOM 255 N GLU A 25 6.519 -3.925 0.917 1.00 0.00 N ATOM 256 CA GLU A 25 6.774 -3.509 -0.436 1.00 0.00 C ATOM 257 C GLU A 25 5.845 -2.417 -0.890 1.00 0.00 C ATOM 258 O GLU A 25 6.249 -1.535 -1.644 1.00 0.00 O ATOM 259 CB GLU A 25 6.822 -4.681 -1.410 1.00 0.00 C ATOM 260 CG GLU A 25 5.961 -5.860 -1.075 1.00 0.00 C ATOM 261 CD GLU A 25 6.205 -6.991 -2.026 1.00 0.00 C ATOM 262 OE1 GLU A 25 5.680 -6.966 -3.145 1.00 0.00 O ATOM 263 OE2 GLU A 25 6.975 -7.914 -1.687 1.00 0.00 O ATOM 0 H GLU A 25 6.126 -4.861 1.013 1.00 0.00 H new ATOM 0 HA GLU A 25 7.774 -3.075 -0.436 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.535 -4.317 -2.397 1.00 0.00 H new ATOM 0 HB3 GLU A 25 7.855 -5.022 -1.484 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.166 -6.187 -0.056 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.911 -5.570 -1.111 1.00 0.00 H new ATOM 270 N MET A 26 4.632 -2.436 -0.396 1.00 0.00 N ATOM 271 CA MET A 26 3.678 -1.434 -0.746 1.00 0.00 C ATOM 272 C MET A 26 3.930 -0.130 -0.015 1.00 0.00 C ATOM 273 O MET A 26 3.767 0.909 -0.579 1.00 0.00 O ATOM 274 CB MET A 26 2.271 -1.939 -0.526 1.00 0.00 C ATOM 275 CG MET A 26 1.187 -0.935 -0.914 1.00 0.00 C ATOM 276 SD MET A 26 1.543 -0.030 -2.458 1.00 0.00 S ATOM 277 CE MET A 26 1.180 -1.171 -3.775 1.00 0.00 C ATOM 0 H MET A 26 4.288 -3.143 0.254 1.00 0.00 H new ATOM 0 HA MET A 26 3.795 -1.220 -1.808 1.00 0.00 H new ATOM 0 HB2 MET A 26 2.129 -2.853 -1.102 1.00 0.00 H new ATOM 0 HB3 MET A 26 2.150 -2.202 0.525 1.00 0.00 H new ATOM 0 HG2 MET A 26 0.239 -1.462 -1.022 1.00 0.00 H new ATOM 0 HG3 MET A 26 1.062 -0.217 -0.103 1.00 0.00 H new ATOM 0 HE1 MET A 26 2.083 -1.355 -4.357 1.00 0.00 H new ATOM 0 HE2 MET A 26 0.822 -2.111 -3.354 1.00 0.00 H new ATOM 0 HE3 MET A 26 0.412 -0.747 -4.422 1.00 0.00 H new ATOM 287 N SER A 27 4.366 -0.195 1.236 1.00 0.00 N ATOM 288 CA SER A 27 4.704 1.018 1.939 1.00 0.00 C ATOM 289 C SER A 27 5.828 1.675 1.238 1.00 0.00 C ATOM 290 O SER A 27 5.829 2.855 1.058 1.00 0.00 O ATOM 291 CB SER A 27 5.055 0.803 3.403 1.00 0.00 C ATOM 292 OG SER A 27 6.056 -0.174 3.573 1.00 0.00 O ATOM 0 H SER A 27 4.489 -1.057 1.768 1.00 0.00 H new ATOM 0 HA SER A 27 3.816 1.650 1.938 1.00 0.00 H new ATOM 0 HB2 SER A 27 5.392 1.745 3.836 1.00 0.00 H new ATOM 0 HB3 SER A 27 4.161 0.503 3.949 1.00 0.00 H new ATOM 0 HG SER A 27 5.694 -1.056 3.348 1.00 0.00 H new ATOM 298 N GLN A 28 6.753 0.868 0.783 1.00 0.00 N ATOM 299 CA GLN A 28 7.904 1.370 0.032 1.00 0.00 C ATOM 300 C GLN A 28 7.463 1.952 -1.311 1.00 0.00 C ATOM 301 O GLN A 28 7.937 3.022 -1.719 1.00 0.00 O ATOM 302 CB GLN A 28 8.923 0.278 -0.184 1.00 0.00 C ATOM 303 CG GLN A 28 9.575 -0.225 1.080 1.00 0.00 C ATOM 304 CD GLN A 28 10.425 -1.446 0.821 1.00 0.00 C ATOM 305 OE1 GLN A 28 10.961 -1.625 -0.273 1.00 0.00 O ATOM 306 NE2 GLN A 28 10.560 -2.281 1.805 1.00 0.00 N ATOM 0 H GLN A 28 6.742 -0.144 0.914 1.00 0.00 H new ATOM 0 HA GLN A 28 8.366 2.163 0.620 1.00 0.00 H new ATOM 0 HB2 GLN A 28 8.439 -0.559 -0.687 1.00 0.00 H new ATOM 0 HB3 GLN A 28 9.698 0.648 -0.855 1.00 0.00 H new ATOM 0 HG2 GLN A 28 10.192 0.564 1.510 1.00 0.00 H new ATOM 0 HG3 GLN A 28 8.807 -0.465 1.815 1.00 0.00 H new ATOM 0 HE21 GLN A 28 10.100 -2.097 2.697 1.00 0.00 H new ATOM 0 HE22 GLN A 28 11.126 -3.121 1.687 1.00 0.00 H new ATOM 315 N PHE A 29 6.584 1.244 -1.986 1.00 0.00 N ATOM 316 CA PHE A 29 6.030 1.677 -3.259 1.00 0.00 C ATOM 317 C PHE A 29 5.258 2.993 -3.084 1.00 0.00 C ATOM 318 O PHE A 29 5.415 3.925 -3.863 1.00 0.00 O ATOM 319 CB PHE A 29 5.127 0.575 -3.814 1.00 0.00 C ATOM 320 CG PHE A 29 4.484 0.872 -5.131 1.00 0.00 C ATOM 321 CD1 PHE A 29 5.135 0.586 -6.314 1.00 0.00 C ATOM 322 CD2 PHE A 29 3.213 1.411 -5.183 1.00 0.00 C ATOM 323 CE1 PHE A 29 4.525 0.842 -7.520 1.00 0.00 C ATOM 324 CE2 PHE A 29 2.603 1.660 -6.380 1.00 0.00 C ATOM 325 CZ PHE A 29 3.254 1.377 -7.544 1.00 0.00 C ATOM 0 H PHE A 29 6.228 0.343 -1.667 1.00 0.00 H new ATOM 0 HA PHE A 29 6.837 1.860 -3.969 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.716 -0.337 -3.914 1.00 0.00 H new ATOM 0 HB3 PHE A 29 4.343 0.370 -3.085 1.00 0.00 H new ATOM 0 HD1 PHE A 29 6.127 0.160 -6.293 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.694 1.639 -4.264 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.039 0.625 -8.445 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.608 2.080 -6.404 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.772 1.573 -8.490 1.00 0.00 H new ATOM 335 N ILE A 30 4.442 3.052 -2.069 1.00 0.00 N ATOM 336 CA ILE A 30 3.693 4.238 -1.725 1.00 0.00 C ATOM 337 C ILE A 30 4.621 5.350 -1.328 1.00 0.00 C ATOM 338 O ILE A 30 4.431 6.478 -1.745 1.00 0.00 O ATOM 339 CB ILE A 30 2.654 3.957 -0.633 1.00 0.00 C ATOM 340 CG1 ILE A 30 1.549 3.113 -1.244 1.00 0.00 C ATOM 341 CG2 ILE A 30 2.106 5.256 -0.035 1.00 0.00 C ATOM 342 CD1 ILE A 30 0.572 2.565 -0.263 1.00 0.00 C ATOM 0 H ILE A 30 4.273 2.265 -1.443 1.00 0.00 H new ATOM 0 HA ILE A 30 3.142 4.555 -2.611 1.00 0.00 H new ATOM 0 HB ILE A 30 3.118 3.415 0.191 1.00 0.00 H new ATOM 0 HG12 ILE A 30 1.010 3.717 -1.974 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.002 2.284 -1.788 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.372 5.021 0.736 1.00 0.00 H new ATOM 0 HG22 ILE A 30 2.923 5.827 0.405 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.632 5.846 -0.819 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.180 1.976 -0.788 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.093 1.931 0.454 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.087 3.386 0.264 1.00 0.00 H new ATOM 354 N VAL A 31 5.628 5.033 -0.536 1.00 0.00 N ATOM 355 CA VAL A 31 6.687 5.992 -0.219 1.00 0.00 C ATOM 356 C VAL A 31 7.249 6.586 -1.509 1.00 0.00 C ATOM 357 O VAL A 31 7.307 7.797 -1.661 1.00 0.00 O ATOM 358 CB VAL A 31 7.815 5.322 0.647 1.00 0.00 C ATOM 359 CG1 VAL A 31 9.128 6.104 0.618 1.00 0.00 C ATOM 360 CG2 VAL A 31 7.344 5.206 2.091 1.00 0.00 C ATOM 0 H VAL A 31 5.741 4.120 -0.097 1.00 0.00 H new ATOM 0 HA VAL A 31 6.264 6.801 0.377 1.00 0.00 H new ATOM 0 HB VAL A 31 8.006 4.339 0.216 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.869 5.594 1.233 1.00 0.00 H new ATOM 0 HG12 VAL A 31 9.491 6.168 -0.408 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.962 7.108 1.008 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.125 4.741 2.692 1.00 0.00 H new ATOM 0 HG22 VAL A 31 7.126 6.199 2.484 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.443 4.594 2.132 1.00 0.00 H new ATOM 370 N GLN A 32 7.570 5.725 -2.458 1.00 0.00 N ATOM 371 CA GLN A 32 8.098 6.110 -3.766 1.00 0.00 C ATOM 372 C GLN A 32 7.119 7.051 -4.477 1.00 0.00 C ATOM 373 O GLN A 32 7.516 8.051 -5.091 1.00 0.00 O ATOM 374 CB GLN A 32 8.249 4.852 -4.599 1.00 0.00 C ATOM 375 CG GLN A 32 8.782 5.059 -5.986 1.00 0.00 C ATOM 376 CD GLN A 32 8.613 3.817 -6.830 1.00 0.00 C ATOM 377 OE1 GLN A 32 7.601 3.650 -7.499 1.00 0.00 O ATOM 378 NE2 GLN A 32 9.564 2.933 -6.781 1.00 0.00 N ATOM 0 H GLN A 32 7.471 4.716 -2.344 1.00 0.00 H new ATOM 0 HA GLN A 32 9.054 6.619 -3.640 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.911 4.165 -4.072 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.276 4.365 -4.671 1.00 0.00 H new ATOM 0 HG2 GLN A 32 8.263 5.894 -6.456 1.00 0.00 H new ATOM 0 HG3 GLN A 32 9.837 5.327 -5.936 1.00 0.00 H new ATOM 0 HE21 GLN A 32 10.393 3.107 -6.213 1.00 0.00 H new ATOM 0 HE22 GLN A 32 9.482 2.065 -7.311 1.00 0.00 H new ATOM 387 N CYS A 33 5.856 6.698 -4.388 1.00 0.00 N ATOM 388 CA CYS A 33 4.765 7.444 -4.975 1.00 0.00 C ATOM 389 C CYS A 33 4.575 8.795 -4.303 1.00 0.00 C ATOM 390 O CYS A 33 4.273 9.753 -4.955 1.00 0.00 O ATOM 391 CB CYS A 33 3.488 6.630 -4.877 1.00 0.00 C ATOM 392 SG CYS A 33 3.530 5.077 -5.792 1.00 0.00 S ATOM 0 H CYS A 33 5.551 5.861 -3.892 1.00 0.00 H new ATOM 0 HA CYS A 33 5.008 7.632 -6.021 1.00 0.00 H new ATOM 0 HB2 CYS A 33 3.287 6.415 -3.827 1.00 0.00 H new ATOM 0 HB3 CYS A 33 2.657 7.233 -5.244 1.00 0.00 H new ATOM 0 HG CYS A 33 4.329 4.243 -5.195 1.00 0.00 H new ATOM 398 N LEU A 34 4.759 8.845 -3.005 1.00 0.00 N ATOM 399 CA LEU A 34 4.616 10.087 -2.243 1.00 0.00 C ATOM 400 C LEU A 34 5.843 10.979 -2.347 1.00 0.00 C ATOM 401 O LEU A 34 5.769 12.179 -2.082 1.00 0.00 O ATOM 402 CB LEU A 34 4.310 9.814 -0.786 1.00 0.00 C ATOM 403 CG LEU A 34 3.017 9.092 -0.484 1.00 0.00 C ATOM 404 CD1 LEU A 34 2.858 8.956 1.005 1.00 0.00 C ATOM 405 CD2 LEU A 34 1.834 9.827 -1.067 1.00 0.00 C ATOM 0 H LEU A 34 5.011 8.035 -2.439 1.00 0.00 H new ATOM 0 HA LEU A 34 3.775 10.616 -2.691 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.131 9.229 -0.371 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.298 10.767 -0.257 1.00 0.00 H new ATOM 0 HG LEU A 34 3.055 8.103 -0.941 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.926 8.436 1.225 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.695 8.388 1.410 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.837 9.946 1.461 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.918 9.284 -0.834 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.781 10.828 -0.640 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.948 9.899 -2.149 1.00 0.00 H new ATOM 417 N ASN A 35 6.989 10.384 -2.663 1.00 0.00 N ATOM 418 CA ASN A 35 8.224 11.138 -2.919 1.00 0.00 C ATOM 419 C ASN A 35 8.088 12.428 -3.746 1.00 0.00 C ATOM 420 O ASN A 35 8.617 13.453 -3.342 1.00 0.00 O ATOM 421 CB ASN A 35 9.308 10.265 -3.469 1.00 0.00 C ATOM 422 CG ASN A 35 10.133 9.879 -2.339 1.00 0.00 C ATOM 423 OD1 ASN A 35 11.156 10.483 -2.064 1.00 0.00 O ATOM 424 ND2 ASN A 35 9.656 8.986 -1.605 1.00 0.00 N ATOM 0 H ASN A 35 7.094 9.373 -2.750 1.00 0.00 H new ATOM 0 HA ASN A 35 8.502 11.489 -1.925 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.888 9.388 -3.962 1.00 0.00 H new ATOM 0 HB3 ASN A 35 9.896 10.799 -4.215 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.126 8.736 -0.735 1.00 0.00 H new ATOM 0 HD22 ASN A 35 8.797 8.508 -1.876 1.00 0.00 H new ATOM 431 N PRO A 36 7.384 12.429 -4.913 1.00 0.00 N ATOM 432 CA PRO A 36 7.186 13.657 -5.702 1.00 0.00 C ATOM 433 C PRO A 36 6.266 14.672 -5.019 1.00 0.00 C ATOM 434 O PRO A 36 6.241 15.845 -5.390 1.00 0.00 O ATOM 435 CB PRO A 36 6.544 13.160 -6.995 1.00 0.00 C ATOM 436 CG PRO A 36 5.890 11.890 -6.619 1.00 0.00 C ATOM 437 CD PRO A 36 6.792 11.263 -5.604 1.00 0.00 C ATOM 0 HA PRO A 36 8.129 14.184 -5.845 1.00 0.00 H new ATOM 0 HB2 PRO A 36 5.822 13.879 -7.381 1.00 0.00 H new ATOM 0 HB3 PRO A 36 7.290 13.007 -7.775 1.00 0.00 H new ATOM 0 HG2 PRO A 36 4.897 12.067 -6.206 1.00 0.00 H new ATOM 0 HG3 PRO A 36 5.764 11.242 -7.486 1.00 0.00 H new ATOM 0 HD2 PRO A 36 6.240 10.624 -4.915 1.00 0.00 H new ATOM 0 HD3 PRO A 36 7.556 10.642 -6.073 1.00 0.00 H new ATOM 445 N TYR A 37 5.541 14.226 -4.027 1.00 0.00 N ATOM 446 CA TYR A 37 4.606 15.078 -3.325 1.00 0.00 C ATOM 447 C TYR A 37 5.290 15.827 -2.224 1.00 0.00 C ATOM 448 O TYR A 37 4.894 16.918 -1.878 1.00 0.00 O ATOM 449 CB TYR A 37 3.436 14.275 -2.768 1.00 0.00 C ATOM 450 CG TYR A 37 2.557 13.666 -3.822 1.00 0.00 C ATOM 451 CD1 TYR A 37 2.866 12.456 -4.391 1.00 0.00 C ATOM 452 CD2 TYR A 37 1.415 14.309 -4.239 1.00 0.00 C ATOM 453 CE1 TYR A 37 2.072 11.897 -5.355 1.00 0.00 C ATOM 454 CE2 TYR A 37 0.604 13.774 -5.194 1.00 0.00 C ATOM 455 CZ TYR A 37 0.933 12.565 -5.758 1.00 0.00 C ATOM 456 OH TYR A 37 0.131 12.037 -6.726 1.00 0.00 O ATOM 0 H TYR A 37 5.578 13.267 -3.681 1.00 0.00 H new ATOM 0 HA TYR A 37 4.214 15.797 -4.044 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.824 13.481 -2.130 1.00 0.00 H new ATOM 0 HB3 TYR A 37 2.831 14.925 -2.136 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.755 11.934 -4.071 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.155 15.260 -3.799 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.333 10.946 -5.795 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.289 14.295 -5.505 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.051 12.718 -7.407 1.00 0.00 H new ATOM 466 N ARG A 38 6.343 15.259 -1.692 1.00 0.00 N ATOM 467 CA ARG A 38 7.053 15.901 -0.585 1.00 0.00 C ATOM 468 C ARG A 38 8.076 16.897 -1.112 1.00 0.00 C ATOM 469 O ARG A 38 8.818 17.524 -0.350 1.00 0.00 O ATOM 470 CB ARG A 38 7.725 14.879 0.309 1.00 0.00 C ATOM 471 CG ARG A 38 8.819 14.114 -0.377 1.00 0.00 C ATOM 472 CD ARG A 38 9.519 13.201 0.590 1.00 0.00 C ATOM 473 NE ARG A 38 10.676 12.529 -0.002 1.00 0.00 N ATOM 474 CZ ARG A 38 11.861 12.367 0.608 1.00 0.00 C ATOM 475 NH1 ARG A 38 12.073 12.864 1.834 1.00 0.00 N ATOM 476 NH2 ARG A 38 12.831 11.716 -0.019 1.00 0.00 N ATOM 0 H ARG A 38 6.733 14.366 -1.993 1.00 0.00 H new ATOM 0 HA ARG A 38 6.316 16.437 0.014 1.00 0.00 H new ATOM 0 HB2 ARG A 38 8.138 15.386 1.181 1.00 0.00 H new ATOM 0 HB3 ARG A 38 6.975 14.177 0.674 1.00 0.00 H new ATOM 0 HG2 ARG A 38 8.402 13.531 -1.198 1.00 0.00 H new ATOM 0 HG3 ARG A 38 9.537 14.809 -0.813 1.00 0.00 H new ATOM 0 HD2 ARG A 38 9.843 13.777 1.457 1.00 0.00 H new ATOM 0 HD3 ARG A 38 8.814 12.452 0.950 1.00 0.00 H new ATOM 0 HE ARG A 38 10.575 12.157 -0.946 1.00 0.00 H new ATOM 0 HH11 ARG A 38 11.330 13.372 2.314 1.00 0.00 H new ATOM 0 HH12 ARG A 38 12.977 12.735 2.287 1.00 0.00 H new ATOM 0 HH21 ARG A 38 12.673 11.344 -0.956 1.00 0.00 H new ATOM 0 HH22 ARG A 38 13.735 11.587 0.435 1.00 0.00 H new ATOM 490 N LYS A 39 8.122 17.009 -2.409 1.00 0.00 N ATOM 491 CA LYS A 39 8.957 17.984 -3.071 1.00 0.00 C ATOM 492 C LYS A 39 8.342 19.361 -2.836 1.00 0.00 C ATOM 493 O LYS A 39 7.142 19.537 -3.032 1.00 0.00 O ATOM 494 CB LYS A 39 9.015 17.703 -4.581 1.00 0.00 C ATOM 495 CG LYS A 39 9.542 16.329 -4.938 1.00 0.00 C ATOM 496 CD LYS A 39 10.968 16.147 -4.484 1.00 0.00 C ATOM 497 CE LYS A 39 11.437 14.734 -4.716 1.00 0.00 C ATOM 498 NZ LYS A 39 12.844 14.558 -4.317 1.00 0.00 N ATOM 0 H LYS A 39 7.580 16.425 -3.045 1.00 0.00 H new ATOM 0 HA LYS A 39 9.971 17.936 -2.673 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.014 17.816 -4.999 1.00 0.00 H new ATOM 0 HB3 LYS A 39 9.645 18.456 -5.055 1.00 0.00 H new ATOM 0 HG2 LYS A 39 8.913 15.567 -4.478 1.00 0.00 H new ATOM 0 HG3 LYS A 39 9.482 16.184 -6.017 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.615 16.841 -5.021 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.049 16.391 -3.425 1.00 0.00 H new ATOM 0 HE2 LYS A 39 10.809 14.044 -4.152 1.00 0.00 H new ATOM 0 HE3 LYS A 39 11.322 14.480 -5.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 13.134 13.574 -4.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 13.445 15.199 -4.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 12.948 14.776 -3.306 1.00 0.00 H new ATOM 512 N PRO A 40 9.140 20.354 -2.434 1.00 0.00 N ATOM 513 CA PRO A 40 8.642 21.704 -2.129 1.00 0.00 C ATOM 514 C PRO A 40 8.013 22.424 -3.341 1.00 0.00 C ATOM 515 O PRO A 40 7.394 23.473 -3.188 1.00 0.00 O ATOM 516 CB PRO A 40 9.881 22.458 -1.627 1.00 0.00 C ATOM 517 CG PRO A 40 11.046 21.664 -2.101 1.00 0.00 C ATOM 518 CD PRO A 40 10.588 20.242 -2.209 1.00 0.00 C ATOM 0 HA PRO A 40 7.833 21.660 -1.400 1.00 0.00 H new ATOM 0 HB2 PRO A 40 9.910 23.473 -2.023 1.00 0.00 H new ATOM 0 HB3 PRO A 40 9.877 22.540 -0.540 1.00 0.00 H new ATOM 0 HG2 PRO A 40 11.397 22.031 -3.066 1.00 0.00 H new ATOM 0 HG3 PRO A 40 11.880 21.749 -1.405 1.00 0.00 H new ATOM 0 HD2 PRO A 40 11.081 19.725 -3.032 1.00 0.00 H new ATOM 0 HD3 PRO A 40 10.809 19.681 -1.301 1.00 0.00 H new ATOM 526 N ASP A 41 8.168 21.866 -4.530 1.00 0.00 N ATOM 527 CA ASP A 41 7.564 22.472 -5.725 1.00 0.00 C ATOM 528 C ASP A 41 6.420 21.576 -6.263 1.00 0.00 C ATOM 529 O ASP A 41 5.956 21.725 -7.392 1.00 0.00 O ATOM 530 CB ASP A 41 8.631 22.738 -6.804 1.00 0.00 C ATOM 531 CG ASP A 41 8.157 23.668 -7.915 1.00 0.00 C ATOM 532 OD1 ASP A 41 8.173 24.897 -7.728 1.00 0.00 O ATOM 533 OD2 ASP A 41 7.774 23.195 -8.998 1.00 0.00 O ATOM 0 H ASP A 41 8.695 21.010 -4.702 1.00 0.00 H new ATOM 0 HA ASP A 41 7.134 23.435 -5.449 1.00 0.00 H new ATOM 0 HB2 ASP A 41 9.513 23.170 -6.332 1.00 0.00 H new ATOM 0 HB3 ASP A 41 8.937 21.788 -7.243 1.00 0.00 H new ATOM 538 N CYS A 42 5.976 20.634 -5.434 1.00 0.00 N ATOM 539 CA CYS A 42 4.831 19.808 -5.777 1.00 0.00 C ATOM 540 C CYS A 42 3.615 20.709 -5.931 1.00 0.00 C ATOM 541 O CYS A 42 3.427 21.652 -5.143 1.00 0.00 O ATOM 542 CB CYS A 42 4.562 18.754 -4.710 1.00 0.00 C ATOM 543 SG CYS A 42 3.208 17.625 -5.100 1.00 0.00 S ATOM 0 H CYS A 42 6.392 20.428 -4.526 1.00 0.00 H new ATOM 0 HA CYS A 42 5.041 19.284 -6.710 1.00 0.00 H new ATOM 0 HB2 CYS A 42 5.470 18.172 -4.554 1.00 0.00 H new ATOM 0 HB3 CYS A 42 4.340 19.256 -3.768 1.00 0.00 H new ATOM 0 HG CYS A 42 2.119 18.038 -4.523 1.00 0.00 H new ATOM 549 N LYS A 43 2.839 20.468 -6.947 1.00 0.00 N ATOM 550 CA LYS A 43 1.695 21.296 -7.239 1.00 0.00 C ATOM 551 C LYS A 43 0.473 20.834 -6.487 1.00 0.00 C ATOM 552 O LYS A 43 -0.318 21.649 -6.013 1.00 0.00 O ATOM 553 CB LYS A 43 1.392 21.275 -8.730 1.00 0.00 C ATOM 554 CG LYS A 43 2.556 21.686 -9.597 1.00 0.00 C ATOM 555 CD LYS A 43 2.164 21.685 -11.054 1.00 0.00 C ATOM 556 CE LYS A 43 3.354 21.969 -11.939 1.00 0.00 C ATOM 557 NZ LYS A 43 3.992 23.265 -11.630 1.00 0.00 N ATOM 0 H LYS A 43 2.977 19.695 -7.598 1.00 0.00 H new ATOM 0 HA LYS A 43 1.940 22.310 -6.923 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.078 20.270 -9.013 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.551 21.939 -8.929 1.00 0.00 H new ATOM 0 HG2 LYS A 43 2.898 22.680 -9.308 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.391 21.004 -9.440 1.00 0.00 H new ATOM 0 HD2 LYS A 43 1.734 20.719 -11.317 1.00 0.00 H new ATOM 0 HD3 LYS A 43 1.392 22.435 -11.226 1.00 0.00 H new ATOM 0 HE2 LYS A 43 4.087 21.170 -11.824 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.037 21.963 -12.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 4.679 23.500 -12.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 3.265 24.007 -11.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 4.482 23.201 -10.715 1.00 0.00 H new ATOM 571 N VAL A 44 0.331 19.544 -6.352 1.00 0.00 N ATOM 572 CA VAL A 44 -0.860 18.990 -5.778 1.00 0.00 C ATOM 573 C VAL A 44 -0.525 17.954 -4.720 1.00 0.00 C ATOM 574 O VAL A 44 0.239 17.033 -4.966 1.00 0.00 O ATOM 575 CB VAL A 44 -1.797 18.398 -6.887 1.00 0.00 C ATOM 576 CG1 VAL A 44 -1.104 17.328 -7.718 1.00 0.00 C ATOM 577 CG2 VAL A 44 -3.102 17.882 -6.300 1.00 0.00 C ATOM 0 H VAL A 44 1.029 18.856 -6.634 1.00 0.00 H new ATOM 0 HA VAL A 44 -1.404 19.797 -5.286 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.038 19.219 -7.563 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.794 16.949 -8.472 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.230 17.757 -8.209 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.791 16.510 -7.069 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.726 17.479 -7.098 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.889 17.097 -5.574 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.627 18.700 -5.806 1.00 0.00 H new ATOM 587 N GLY A 45 -1.068 18.148 -3.539 1.00 0.00 N ATOM 588 CA GLY A 45 -0.834 17.241 -2.439 1.00 0.00 C ATOM 589 C GLY A 45 0.602 17.319 -1.942 1.00 0.00 C ATOM 590 O GLY A 45 1.219 16.312 -1.680 1.00 0.00 O ATOM 0 H GLY A 45 -1.680 18.933 -3.315 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -1.515 17.477 -1.622 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.055 16.221 -2.754 1.00 0.00 H new ATOM 594 N ARG A 46 1.138 18.517 -1.817 1.00 0.00 N ATOM 595 CA ARG A 46 2.507 18.689 -1.380 1.00 0.00 C ATOM 596 C ARG A 46 2.648 18.356 0.100 1.00 0.00 C ATOM 597 O ARG A 46 2.014 18.985 0.956 1.00 0.00 O ATOM 598 CB ARG A 46 2.952 20.118 -1.651 1.00 0.00 C ATOM 599 CG ARG A 46 4.404 20.416 -1.349 1.00 0.00 C ATOM 600 CD ARG A 46 4.766 21.787 -1.878 1.00 0.00 C ATOM 601 NE ARG A 46 3.967 22.847 -1.260 1.00 0.00 N ATOM 602 CZ ARG A 46 3.151 23.695 -1.915 1.00 0.00 C ATOM 603 NH1 ARG A 46 2.884 23.517 -3.215 1.00 0.00 N ATOM 604 NH2 ARG A 46 2.573 24.695 -1.257 1.00 0.00 N ATOM 0 H ARG A 46 0.644 19.387 -2.013 1.00 0.00 H new ATOM 0 HA ARG A 46 3.145 18.004 -1.939 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.763 20.346 -2.700 1.00 0.00 H new ATOM 0 HB3 ARG A 46 2.331 20.792 -1.061 1.00 0.00 H new ATOM 0 HG2 ARG A 46 4.578 20.373 -0.274 1.00 0.00 H new ATOM 0 HG3 ARG A 46 5.043 19.660 -1.805 1.00 0.00 H new ATOM 0 HD2 ARG A 46 5.823 21.978 -1.695 1.00 0.00 H new ATOM 0 HD3 ARG A 46 4.621 21.808 -2.958 1.00 0.00 H new ATOM 0 HE ARG A 46 4.034 22.952 -0.248 1.00 0.00 H new ATOM 0 HH11 ARG A 46 3.300 22.733 -3.718 1.00 0.00 H new ATOM 0 HH12 ARG A 46 2.265 24.165 -3.702 1.00 0.00 H new ATOM 0 HH21 ARG A 46 2.748 24.818 -0.260 1.00 0.00 H new ATOM 0 HH22 ARG A 46 1.954 25.339 -1.749 1.00 0.00 H new ATOM 618 N ILE A 47 3.447 17.370 0.385 1.00 0.00 N ATOM 619 CA ILE A 47 3.682 16.932 1.734 1.00 0.00 C ATOM 620 C ILE A 47 4.629 17.874 2.436 1.00 0.00 C ATOM 621 O ILE A 47 5.744 18.126 1.977 1.00 0.00 O ATOM 622 CB ILE A 47 4.204 15.473 1.802 1.00 0.00 C ATOM 623 CG1 ILE A 47 3.227 14.547 1.061 1.00 0.00 C ATOM 624 CG2 ILE A 47 4.385 15.048 3.246 1.00 0.00 C ATOM 625 CD1 ILE A 47 3.653 13.105 0.987 1.00 0.00 C ATOM 0 H ILE A 47 3.961 16.840 -0.319 1.00 0.00 H new ATOM 0 HA ILE A 47 2.721 16.946 2.249 1.00 0.00 H new ATOM 0 HB ILE A 47 5.177 15.407 1.316 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.256 14.599 1.553 1.00 0.00 H new ATOM 0 HG13 ILE A 47 3.091 14.923 0.047 1.00 0.00 H new ATOM 0 HG21 ILE A 47 4.752 14.022 3.280 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.105 15.707 3.732 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.429 15.109 3.766 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.901 12.531 0.446 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.608 13.034 0.466 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.759 12.705 1.995 1.00 0.00 H new ATOM 637 N THR A 48 4.146 18.409 3.505 1.00 0.00 N ATOM 638 CA THR A 48 4.839 19.351 4.336 1.00 0.00 C ATOM 639 C THR A 48 6.065 18.772 5.034 1.00 0.00 C ATOM 640 O THR A 48 7.193 19.256 4.860 1.00 0.00 O ATOM 641 CB THR A 48 3.865 19.814 5.405 1.00 0.00 C ATOM 642 OG1 THR A 48 3.218 18.648 5.938 1.00 0.00 O ATOM 643 CG2 THR A 48 2.825 20.683 4.812 1.00 0.00 C ATOM 0 H THR A 48 3.209 18.194 3.846 1.00 0.00 H new ATOM 0 HA THR A 48 5.192 20.158 3.694 1.00 0.00 H new ATOM 0 HB THR A 48 4.402 20.369 6.174 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.582 18.916 6.634 1.00 0.00 H new ATOM 0 HG21 THR A 48 2.134 21.007 5.590 1.00 0.00 H new ATOM 0 HG22 THR A 48 3.295 21.555 4.358 1.00 0.00 H new ATOM 0 HG23 THR A 48 2.278 20.128 4.050 1.00 0.00 H new ATOM 651 N THR A 49 5.848 17.749 5.806 1.00 0.00 N ATOM 652 CA THR A 49 6.873 17.262 6.682 1.00 0.00 C ATOM 653 C THR A 49 7.071 15.773 6.489 1.00 0.00 C ATOM 654 O THR A 49 6.191 15.085 5.990 1.00 0.00 O ATOM 655 CB THR A 49 6.462 17.516 8.153 1.00 0.00 C ATOM 656 OG1 THR A 49 5.603 18.669 8.223 1.00 0.00 O ATOM 657 CG2 THR A 49 7.684 17.759 9.030 1.00 0.00 C ATOM 0 H THR A 49 4.968 17.234 5.847 1.00 0.00 H new ATOM 0 HA THR A 49 7.801 17.785 6.451 1.00 0.00 H new ATOM 0 HB THR A 49 5.939 16.631 8.515 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.682 18.381 8.394 1.00 0.00 H new ATOM 0 HG21 THR A 49 7.365 17.934 10.058 1.00 0.00 H new ATOM 0 HG22 THR A 49 8.336 16.886 8.996 1.00 0.00 H new ATOM 0 HG23 THR A 49 8.227 18.631 8.665 1.00 0.00 H new ATOM 665 N THR A 50 8.212 15.300 6.882 1.00 0.00 N ATOM 666 CA THR A 50 8.555 13.909 6.845 1.00 0.00 C ATOM 667 C THR A 50 7.589 13.062 7.674 1.00 0.00 C ATOM 668 O THR A 50 7.154 12.010 7.234 1.00 0.00 O ATOM 669 CB THR A 50 10.001 13.730 7.348 1.00 0.00 C ATOM 670 OG1 THR A 50 10.417 12.366 7.273 1.00 0.00 O ATOM 671 CG2 THR A 50 10.190 14.265 8.764 1.00 0.00 C ATOM 0 H THR A 50 8.958 15.891 7.251 1.00 0.00 H new ATOM 0 HA THR A 50 8.478 13.563 5.814 1.00 0.00 H new ATOM 0 HB THR A 50 10.633 14.320 6.684 1.00 0.00 H new ATOM 0 HG1 THR A 50 11.338 12.287 7.598 1.00 0.00 H new ATOM 0 HG21 THR A 50 11.224 14.116 9.074 1.00 0.00 H new ATOM 0 HG22 THR A 50 9.954 15.329 8.785 1.00 0.00 H new ATOM 0 HG23 THR A 50 9.527 13.732 9.446 1.00 0.00 H new ATOM 679 N GLU A 51 7.230 13.547 8.857 1.00 0.00 N ATOM 680 CA GLU A 51 6.294 12.838 9.711 1.00 0.00 C ATOM 681 C GLU A 51 4.935 12.759 9.044 1.00 0.00 C ATOM 682 O GLU A 51 4.219 11.763 9.191 1.00 0.00 O ATOM 683 CB GLU A 51 6.173 13.474 11.092 1.00 0.00 C ATOM 684 CG GLU A 51 5.643 14.895 11.084 1.00 0.00 C ATOM 685 CD GLU A 51 5.319 15.381 12.458 1.00 0.00 C ATOM 686 OE1 GLU A 51 6.208 15.935 13.125 1.00 0.00 O ATOM 687 OE2 GLU A 51 4.157 15.217 12.899 1.00 0.00 O ATOM 0 H GLU A 51 7.574 14.426 9.243 1.00 0.00 H new ATOM 0 HA GLU A 51 6.685 11.831 9.856 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.516 12.858 11.706 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.153 13.468 11.569 1.00 0.00 H new ATOM 0 HG2 GLU A 51 6.383 15.555 10.632 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.749 14.945 10.462 1.00 0.00 H new ATOM 694 N ASP A 52 4.607 13.785 8.271 1.00 0.00 N ATOM 695 CA ASP A 52 3.362 13.842 7.530 1.00 0.00 C ATOM 696 C ASP A 52 3.417 12.865 6.403 1.00 0.00 C ATOM 697 O ASP A 52 2.467 12.111 6.167 1.00 0.00 O ATOM 698 CB ASP A 52 3.124 15.262 6.982 1.00 0.00 C ATOM 699 CG ASP A 52 2.652 16.262 8.021 1.00 0.00 C ATOM 700 OD1 ASP A 52 1.415 16.397 8.225 1.00 0.00 O ATOM 701 OD2 ASP A 52 3.503 16.950 8.635 1.00 0.00 O ATOM 0 H ASP A 52 5.202 14.603 8.142 1.00 0.00 H new ATOM 0 HA ASP A 52 2.538 13.589 8.197 1.00 0.00 H new ATOM 0 HB2 ASP A 52 4.050 15.627 6.538 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.385 15.211 6.182 1.00 0.00 H new ATOM 706 N PHE A 53 4.560 12.841 5.743 1.00 0.00 N ATOM 707 CA PHE A 53 4.848 11.917 4.678 1.00 0.00 C ATOM 708 C PHE A 53 4.662 10.471 5.192 1.00 0.00 C ATOM 709 O PHE A 53 3.947 9.675 4.596 1.00 0.00 O ATOM 710 CB PHE A 53 6.293 12.150 4.191 1.00 0.00 C ATOM 711 CG PHE A 53 6.800 11.157 3.206 1.00 0.00 C ATOM 712 CD1 PHE A 53 7.429 10.006 3.638 1.00 0.00 C ATOM 713 CD2 PHE A 53 6.651 11.369 1.863 1.00 0.00 C ATOM 714 CE1 PHE A 53 7.894 9.089 2.745 1.00 0.00 C ATOM 715 CE2 PHE A 53 7.117 10.456 0.958 1.00 0.00 C ATOM 716 CZ PHE A 53 7.736 9.315 1.392 1.00 0.00 C ATOM 0 H PHE A 53 5.328 13.482 5.943 1.00 0.00 H new ATOM 0 HA PHE A 53 4.167 12.074 3.842 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.353 13.143 3.745 1.00 0.00 H new ATOM 0 HB3 PHE A 53 6.955 12.149 5.057 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.554 9.831 4.696 1.00 0.00 H new ATOM 0 HD2 PHE A 53 6.161 12.266 1.514 1.00 0.00 H new ATOM 0 HE1 PHE A 53 8.383 8.191 3.093 1.00 0.00 H new ATOM 0 HE2 PHE A 53 6.997 10.635 -0.100 1.00 0.00 H new ATOM 0 HZ PHE A 53 8.100 8.592 0.677 1.00 0.00 H new ATOM 726 N LYS A 54 5.287 10.190 6.318 1.00 0.00 N ATOM 727 CA LYS A 54 5.235 8.891 6.972 1.00 0.00 C ATOM 728 C LYS A 54 3.819 8.511 7.362 1.00 0.00 C ATOM 729 O LYS A 54 3.399 7.378 7.149 1.00 0.00 O ATOM 730 CB LYS A 54 6.105 8.924 8.214 1.00 0.00 C ATOM 731 CG LYS A 54 7.594 8.981 7.927 1.00 0.00 C ATOM 732 CD LYS A 54 8.443 9.247 9.180 1.00 0.00 C ATOM 733 CE LYS A 54 8.437 8.107 10.226 1.00 0.00 C ATOM 734 NZ LYS A 54 7.122 7.880 10.898 1.00 0.00 N ATOM 0 H LYS A 54 5.859 10.871 6.817 1.00 0.00 H new ATOM 0 HA LYS A 54 5.600 8.144 6.267 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.828 9.790 8.815 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.895 8.039 8.815 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.907 8.039 7.477 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.786 9.764 7.193 1.00 0.00 H new ATOM 0 HD2 LYS A 54 9.472 9.431 8.871 1.00 0.00 H new ATOM 0 HD3 LYS A 54 8.085 10.159 9.657 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.743 7.182 9.737 1.00 0.00 H new ATOM 0 HE3 LYS A 54 9.185 8.328 10.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.279 7.649 11.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.543 8.741 10.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.627 7.092 10.435 1.00 0.00 H new ATOM 748 N HIS A 55 3.080 9.481 7.884 1.00 0.00 N ATOM 749 CA HIS A 55 1.693 9.296 8.334 1.00 0.00 C ATOM 750 C HIS A 55 0.843 8.844 7.165 1.00 0.00 C ATOM 751 O HIS A 55 0.120 7.847 7.244 1.00 0.00 O ATOM 752 CB HIS A 55 1.158 10.631 8.902 1.00 0.00 C ATOM 753 CG HIS A 55 -0.297 10.652 9.325 1.00 0.00 C ATOM 754 ND1 HIS A 55 -0.705 10.569 10.636 1.00 0.00 N ATOM 755 CD2 HIS A 55 -1.437 10.812 8.594 1.00 0.00 C ATOM 756 CE1 HIS A 55 -2.012 10.669 10.699 1.00 0.00 C ATOM 757 NE2 HIS A 55 -2.487 10.819 9.471 1.00 0.00 N ATOM 0 H HIS A 55 3.424 10.433 8.011 1.00 0.00 H new ATOM 0 HA HIS A 55 1.653 8.537 9.115 1.00 0.00 H new ATOM 0 HB2 HIS A 55 1.768 10.904 9.764 1.00 0.00 H new ATOM 0 HB3 HIS A 55 1.305 11.405 8.149 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -1.499 10.914 7.521 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -2.603 10.635 11.602 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -3.471 10.922 9.221 1.00 0.00 H new ATOM 765 N LEU A 56 0.948 9.554 6.094 1.00 0.00 N ATOM 766 CA LEU A 56 0.154 9.261 4.956 1.00 0.00 C ATOM 767 C LEU A 56 0.627 8.025 4.250 1.00 0.00 C ATOM 768 O LEU A 56 -0.195 7.239 3.808 1.00 0.00 O ATOM 769 CB LEU A 56 0.139 10.395 4.000 1.00 0.00 C ATOM 770 CG LEU A 56 -1.048 10.378 3.055 1.00 0.00 C ATOM 771 CD1 LEU A 56 -2.361 10.654 3.778 1.00 0.00 C ATOM 772 CD2 LEU A 56 -0.828 11.313 1.927 1.00 0.00 C ATOM 0 H LEU A 56 1.581 10.346 5.985 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.858 9.089 5.322 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.134 11.331 4.559 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.059 10.378 3.415 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.133 9.372 2.645 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -3.182 10.632 3.062 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.524 9.892 4.540 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.317 11.636 4.250 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.690 11.287 1.260 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.698 12.324 2.313 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.065 11.016 1.378 1.00 0.00 H new ATOM 784 N ALA A 57 1.946 7.821 4.165 1.00 0.00 N ATOM 785 CA ALA A 57 2.488 6.596 3.536 1.00 0.00 C ATOM 786 C ALA A 57 1.908 5.383 4.240 1.00 0.00 C ATOM 787 O ALA A 57 1.437 4.432 3.597 1.00 0.00 O ATOM 788 CB ALA A 57 4.011 6.565 3.547 1.00 0.00 C ATOM 0 H ALA A 57 2.652 8.470 4.514 1.00 0.00 H new ATOM 0 HA ALA A 57 2.194 6.586 2.487 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.360 5.647 3.074 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.396 7.424 2.998 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.368 6.602 4.576 1.00 0.00 H new ATOM 794 N ARG A 58 1.847 5.479 5.553 1.00 0.00 N ATOM 795 CA ARG A 58 1.261 4.431 6.384 1.00 0.00 C ATOM 796 C ARG A 58 -0.206 4.275 6.071 1.00 0.00 C ATOM 797 O ARG A 58 -0.701 3.153 5.848 1.00 0.00 O ATOM 798 CB ARG A 58 1.348 4.776 7.861 1.00 0.00 C ATOM 799 CG ARG A 58 2.695 4.659 8.514 1.00 0.00 C ATOM 800 CD ARG A 58 2.572 5.144 9.937 1.00 0.00 C ATOM 801 NE ARG A 58 3.746 4.861 10.749 1.00 0.00 N ATOM 802 CZ ARG A 58 3.857 5.168 12.041 1.00 0.00 C ATOM 803 NH1 ARG A 58 2.927 5.920 12.629 1.00 0.00 N ATOM 804 NH2 ARG A 58 4.904 4.743 12.743 1.00 0.00 N ATOM 0 H ARG A 58 2.199 6.280 6.078 1.00 0.00 H new ATOM 0 HA ARG A 58 1.819 3.519 6.172 1.00 0.00 H new ATOM 0 HB2 ARG A 58 0.998 5.800 7.990 1.00 0.00 H new ATOM 0 HB3 ARG A 58 0.654 4.131 8.400 1.00 0.00 H new ATOM 0 HG2 ARG A 58 3.039 3.625 8.493 1.00 0.00 H new ATOM 0 HG3 ARG A 58 3.433 5.251 7.973 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.394 6.219 9.932 1.00 0.00 H new ATOM 0 HD3 ARG A 58 1.701 4.679 10.397 1.00 0.00 H new ATOM 0 HE ARG A 58 4.536 4.397 10.300 1.00 0.00 H new ATOM 0 HH11 ARG A 58 2.131 6.260 12.090 1.00 0.00 H new ATOM 0 HH12 ARG A 58 3.012 6.155 13.618 1.00 0.00 H new ATOM 0 HH21 ARG A 58 5.625 4.180 12.293 1.00 0.00 H new ATOM 0 HH22 ARG A 58 4.985 4.980 13.732 1.00 0.00 H new ATOM 818 N LYS A 59 -0.888 5.405 6.014 1.00 0.00 N ATOM 819 CA LYS A 59 -2.321 5.435 5.890 1.00 0.00 C ATOM 820 C LYS A 59 -2.758 4.825 4.566 1.00 0.00 C ATOM 821 O LYS A 59 -3.703 4.038 4.504 1.00 0.00 O ATOM 822 CB LYS A 59 -2.778 6.882 6.013 1.00 0.00 C ATOM 823 CG LYS A 59 -4.247 7.069 6.258 1.00 0.00 C ATOM 824 CD LYS A 59 -4.547 8.526 6.520 1.00 0.00 C ATOM 825 CE LYS A 59 -5.953 8.715 7.025 1.00 0.00 C ATOM 826 NZ LYS A 59 -6.209 10.115 7.371 1.00 0.00 N ATOM 0 H LYS A 59 -0.455 6.328 6.053 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.780 4.841 6.680 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -2.227 7.352 6.828 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -2.508 7.411 5.099 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.815 6.722 5.395 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -4.561 6.466 7.110 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.840 8.919 7.251 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -4.408 9.098 5.603 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -6.662 8.391 6.263 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -6.115 8.086 7.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -7.185 10.215 7.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -5.547 10.415 8.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -6.077 10.711 6.529 1.00 0.00 H new ATOM 840 N LEU A 60 -2.039 5.157 3.529 1.00 0.00 N ATOM 841 CA LEU A 60 -2.341 4.691 2.192 1.00 0.00 C ATOM 842 C LEU A 60 -2.034 3.237 2.041 1.00 0.00 C ATOM 843 O LEU A 60 -2.832 2.495 1.459 1.00 0.00 O ATOM 844 CB LEU A 60 -1.581 5.529 1.217 1.00 0.00 C ATOM 845 CG LEU A 60 -1.932 6.982 1.349 1.00 0.00 C ATOM 846 CD1 LEU A 60 -0.904 7.890 0.707 1.00 0.00 C ATOM 847 CD2 LEU A 60 -3.293 7.230 0.791 1.00 0.00 C ATOM 0 H LEU A 60 -1.220 5.763 3.582 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.408 4.796 1.996 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.511 5.396 1.378 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.795 5.193 0.202 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.932 7.225 2.412 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.208 8.929 0.832 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.065 7.736 1.182 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.828 7.660 -0.356 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.540 8.287 0.891 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.311 6.951 -0.263 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.024 6.633 1.337 1.00 0.00 H new ATOM 859 N THR A 61 -0.890 2.821 2.597 1.00 0.00 N ATOM 860 CA THR A 61 -0.497 1.421 2.582 1.00 0.00 C ATOM 861 C THR A 61 -1.585 0.595 3.199 1.00 0.00 C ATOM 862 O THR A 61 -2.002 -0.431 2.665 1.00 0.00 O ATOM 863 CB THR A 61 0.824 1.196 3.377 1.00 0.00 C ATOM 864 OG1 THR A 61 1.874 1.985 2.806 1.00 0.00 O ATOM 865 CG2 THR A 61 1.241 -0.272 3.353 1.00 0.00 C ATOM 0 H THR A 61 -0.225 3.440 3.061 1.00 0.00 H new ATOM 0 HA THR A 61 -0.332 1.124 1.546 1.00 0.00 H new ATOM 0 HB THR A 61 0.647 1.494 4.410 1.00 0.00 H new ATOM 0 HG1 THR A 61 1.675 2.936 2.934 1.00 0.00 H new ATOM 0 HG21 THR A 61 2.166 -0.397 3.916 1.00 0.00 H new ATOM 0 HG22 THR A 61 0.457 -0.880 3.804 1.00 0.00 H new ATOM 0 HG23 THR A 61 1.398 -0.589 2.322 1.00 0.00 H new ATOM 873 N HIS A 62 -2.104 1.099 4.276 1.00 0.00 N ATOM 874 CA HIS A 62 -3.085 0.360 5.012 1.00 0.00 C ATOM 875 C HIS A 62 -4.466 0.449 4.341 1.00 0.00 C ATOM 876 O HIS A 62 -5.238 -0.487 4.408 1.00 0.00 O ATOM 877 CB HIS A 62 -3.103 0.807 6.478 1.00 0.00 C ATOM 878 CG HIS A 62 -3.905 -0.065 7.406 1.00 0.00 C ATOM 879 ND1 HIS A 62 -3.434 -1.253 7.936 1.00 0.00 N ATOM 880 CD2 HIS A 62 -5.142 0.091 7.899 1.00 0.00 C ATOM 881 CE1 HIS A 62 -4.351 -1.784 8.708 1.00 0.00 C ATOM 882 NE2 HIS A 62 -5.405 -0.985 8.705 1.00 0.00 N ATOM 0 H HIS A 62 -1.868 2.012 4.664 1.00 0.00 H new ATOM 0 HA HIS A 62 -2.811 -0.695 5.005 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -2.076 0.848 6.841 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -3.499 1.821 6.527 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -5.810 0.915 7.697 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -4.261 -2.713 9.252 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -6.272 -1.144 9.219 1.00 0.00 H new ATOM 890 N GLY A 63 -4.749 1.547 3.663 1.00 0.00 N ATOM 891 CA GLY A 63 -6.035 1.691 2.991 1.00 0.00 C ATOM 892 C GLY A 63 -6.149 0.837 1.734 1.00 0.00 C ATOM 893 O GLY A 63 -7.241 0.345 1.426 1.00 0.00 O ATOM 0 H GLY A 63 -4.119 2.343 3.562 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -6.832 1.418 3.682 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -6.186 2.738 2.727 1.00 0.00 H new ATOM 897 N VAL A 64 -5.038 0.659 0.997 1.00 0.00 N ATOM 898 CA VAL A 64 -5.042 -0.245 -0.183 1.00 0.00 C ATOM 899 C VAL A 64 -5.226 -1.648 0.326 1.00 0.00 C ATOM 900 O VAL A 64 -6.038 -2.411 -0.180 1.00 0.00 O ATOM 901 CB VAL A 64 -3.715 -0.171 -1.018 1.00 0.00 C ATOM 902 CG1 VAL A 64 -3.717 -1.193 -2.184 1.00 0.00 C ATOM 903 CG2 VAL A 64 -3.497 1.234 -1.560 1.00 0.00 C ATOM 0 H VAL A 64 -4.144 1.113 1.185 1.00 0.00 H new ATOM 0 HA VAL A 64 -5.848 0.063 -0.849 1.00 0.00 H new ATOM 0 HB VAL A 64 -2.895 -0.424 -0.346 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -2.783 -1.113 -2.740 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.815 -2.202 -1.783 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -4.554 -0.984 -2.850 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -2.572 1.262 -2.135 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -4.333 1.510 -2.203 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.430 1.938 -0.730 1.00 0.00 H new ATOM 913 N MET A 65 -4.558 -1.884 1.429 1.00 0.00 N ATOM 914 CA MET A 65 -4.543 -3.156 2.112 1.00 0.00 C ATOM 915 C MET A 65 -5.951 -3.531 2.537 1.00 0.00 C ATOM 916 O MET A 65 -6.409 -4.633 2.279 1.00 0.00 O ATOM 917 CB MET A 65 -3.620 -3.057 3.306 1.00 0.00 C ATOM 918 CG MET A 65 -3.581 -4.247 4.193 1.00 0.00 C ATOM 919 SD MET A 65 -2.397 -3.988 5.506 1.00 0.00 S ATOM 920 CE MET A 65 -2.768 -5.387 6.496 1.00 0.00 C ATOM 0 H MET A 65 -3.991 -1.173 1.891 1.00 0.00 H new ATOM 0 HA MET A 65 -4.177 -3.937 1.446 1.00 0.00 H new ATOM 0 HB2 MET A 65 -2.610 -2.863 2.945 1.00 0.00 H new ATOM 0 HB3 MET A 65 -3.918 -2.193 3.901 1.00 0.00 H new ATOM 0 HG2 MET A 65 -4.570 -4.430 4.614 1.00 0.00 H new ATOM 0 HG3 MET A 65 -3.311 -5.132 3.617 1.00 0.00 H new ATOM 0 HE1 MET A 65 -2.120 -5.394 7.373 1.00 0.00 H new ATOM 0 HE2 MET A 65 -3.809 -5.341 6.815 1.00 0.00 H new ATOM 0 HE3 MET A 65 -2.605 -6.296 5.917 1.00 0.00 H new ATOM 930 N ASN A 66 -6.635 -2.587 3.153 1.00 0.00 N ATOM 931 CA ASN A 66 -8.004 -2.757 3.587 1.00 0.00 C ATOM 932 C ASN A 66 -8.930 -2.999 2.421 1.00 0.00 C ATOM 933 O ASN A 66 -9.742 -3.915 2.460 1.00 0.00 O ATOM 934 CB ASN A 66 -8.474 -1.536 4.346 1.00 0.00 C ATOM 935 CG ASN A 66 -7.895 -1.401 5.710 1.00 0.00 C ATOM 936 OD1 ASN A 66 -7.551 -2.379 6.373 1.00 0.00 O ATOM 937 ND2 ASN A 66 -7.808 -0.203 6.160 1.00 0.00 N ATOM 0 H ASN A 66 -6.248 -1.668 3.368 1.00 0.00 H new ATOM 0 HA ASN A 66 -8.029 -3.630 4.239 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -8.225 -0.646 3.769 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -9.560 -1.569 4.427 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -7.443 -0.036 7.098 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -8.103 0.582 5.580 1.00 0.00 H new ATOM 944 N LYS A 67 -8.798 -2.201 1.381 1.00 0.00 N ATOM 945 CA LYS A 67 -9.678 -2.311 0.242 1.00 0.00 C ATOM 946 C LYS A 67 -9.545 -3.666 -0.431 1.00 0.00 C ATOM 947 O LYS A 67 -10.553 -4.307 -0.765 1.00 0.00 O ATOM 948 CB LYS A 67 -9.501 -1.162 -0.765 1.00 0.00 C ATOM 949 CG LYS A 67 -10.498 -1.240 -1.925 1.00 0.00 C ATOM 950 CD LYS A 67 -10.417 -0.057 -2.881 1.00 0.00 C ATOM 951 CE LYS A 67 -10.798 1.248 -2.199 1.00 0.00 C ATOM 952 NZ LYS A 67 -10.904 2.363 -3.160 1.00 0.00 N ATOM 0 H LYS A 67 -8.090 -1.471 1.304 1.00 0.00 H new ATOM 0 HA LYS A 67 -10.694 -2.225 0.628 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -9.622 -0.209 -0.249 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -8.486 -1.183 -1.161 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -10.322 -2.160 -2.483 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -11.508 -1.301 -1.521 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -9.404 0.022 -3.277 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -11.078 -0.230 -3.730 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -11.750 1.123 -1.682 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -10.054 1.492 -1.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -11.165 3.233 -2.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -9.989 2.500 -3.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -11.632 2.142 -3.869 1.00 0.00 H new ATOM 966 N GLU A 68 -8.343 -4.145 -0.579 1.00 0.00 N ATOM 967 CA GLU A 68 -8.199 -5.396 -1.182 1.00 0.00 C ATOM 968 C GLU A 68 -8.539 -6.513 -0.259 1.00 0.00 C ATOM 969 O GLU A 68 -9.188 -7.422 -0.658 1.00 0.00 O ATOM 970 CB GLU A 68 -6.915 -5.538 -1.915 1.00 0.00 C ATOM 971 CG GLU A 68 -5.650 -5.280 -1.156 1.00 0.00 C ATOM 972 CD GLU A 68 -4.516 -5.263 -2.118 1.00 0.00 C ATOM 973 OE1 GLU A 68 -4.466 -4.322 -2.945 1.00 0.00 O ATOM 974 OE2 GLU A 68 -3.739 -6.236 -2.149 1.00 0.00 O ATOM 0 H GLU A 68 -7.479 -3.685 -0.291 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.950 -5.466 -1.969 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -6.866 -6.551 -2.314 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -6.939 -4.860 -2.768 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.713 -4.328 -0.628 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -5.496 -6.053 -0.403 1.00 0.00 H new ATOM 981 N LEU A 69 -8.184 -6.421 0.989 1.00 0.00 N ATOM 982 CA LEU A 69 -8.627 -7.435 1.952 1.00 0.00 C ATOM 983 C LEU A 69 -10.152 -7.504 2.061 1.00 0.00 C ATOM 984 O LEU A 69 -10.703 -8.548 2.401 1.00 0.00 O ATOM 985 CB LEU A 69 -8.016 -7.219 3.335 1.00 0.00 C ATOM 986 CG LEU A 69 -6.549 -7.586 3.487 1.00 0.00 C ATOM 987 CD1 LEU A 69 -6.026 -7.148 4.843 1.00 0.00 C ATOM 988 CD2 LEU A 69 -6.379 -9.085 3.315 1.00 0.00 C ATOM 0 H LEU A 69 -7.602 -5.678 1.376 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.270 -8.389 1.564 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.136 -6.169 3.602 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.591 -7.799 4.057 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.974 -7.069 2.718 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.974 -7.420 4.932 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.131 -6.068 4.942 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.596 -7.642 5.630 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.327 -9.347 3.424 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.963 -9.607 4.073 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.725 -9.379 2.324 1.00 0.00 H new ATOM 1000 N LYS A 70 -10.843 -6.424 1.753 1.00 0.00 N ATOM 1001 CA LYS A 70 -12.277 -6.454 1.824 1.00 0.00 C ATOM 1002 C LYS A 70 -12.899 -6.918 0.505 1.00 0.00 C ATOM 1003 O LYS A 70 -13.971 -7.498 0.494 1.00 0.00 O ATOM 1004 CB LYS A 70 -12.840 -5.112 2.325 1.00 0.00 C ATOM 1005 CG LYS A 70 -12.723 -3.979 1.372 1.00 0.00 C ATOM 1006 CD LYS A 70 -13.107 -2.631 1.961 1.00 0.00 C ATOM 1007 CE LYS A 70 -14.596 -2.478 2.333 1.00 0.00 C ATOM 1008 NZ LYS A 70 -15.040 -3.269 3.506 1.00 0.00 N ATOM 0 H LYS A 70 -10.439 -5.535 1.458 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.563 -7.200 2.565 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -13.892 -5.249 2.574 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -12.326 -4.843 3.248 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -11.696 -3.926 1.011 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -13.355 -4.179 0.507 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -12.506 -2.458 2.854 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -12.846 -1.852 1.245 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -14.799 -1.425 2.528 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -15.200 -2.765 1.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -15.668 -2.689 4.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -15.552 -4.114 3.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -14.211 -3.560 4.063 1.00 0.00 H new ATOM 1022 N TYR A 71 -12.205 -6.694 -0.601 1.00 0.00 N ATOM 1023 CA TYR A 71 -12.703 -7.120 -1.924 1.00 0.00 C ATOM 1024 C TYR A 71 -12.203 -8.509 -2.297 1.00 0.00 C ATOM 1025 O TYR A 71 -12.904 -9.284 -2.931 1.00 0.00 O ATOM 1026 CB TYR A 71 -12.325 -6.085 -3.014 1.00 0.00 C ATOM 1027 CG TYR A 71 -13.032 -4.734 -2.861 1.00 0.00 C ATOM 1028 CD1 TYR A 71 -13.771 -4.451 -1.732 1.00 0.00 C ATOM 1029 CD2 TYR A 71 -12.948 -3.757 -3.840 1.00 0.00 C ATOM 1030 CE1 TYR A 71 -14.407 -3.261 -1.559 1.00 0.00 C ATOM 1031 CE2 TYR A 71 -13.590 -2.535 -3.682 1.00 0.00 C ATOM 1032 CZ TYR A 71 -14.321 -2.293 -2.534 1.00 0.00 C ATOM 1033 OH TYR A 71 -14.975 -1.078 -2.367 1.00 0.00 O ATOM 0 H TYR A 71 -11.300 -6.224 -0.621 1.00 0.00 H new ATOM 0 HA TYR A 71 -13.790 -7.173 -1.862 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -11.247 -5.924 -2.990 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -12.564 -6.500 -3.993 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -13.848 -5.200 -0.958 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -12.377 -3.948 -4.736 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -14.977 -3.076 -0.660 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -13.518 -1.780 -4.451 1.00 0.00 H new ATOM 0 HH TYR A 71 -14.810 -0.508 -3.147 1.00 0.00 H new ATOM 1043 N CYS A 72 -11.022 -8.821 -1.861 1.00 0.00 N ATOM 1044 CA CYS A 72 -10.388 -10.104 -2.120 1.00 0.00 C ATOM 1045 C CYS A 72 -10.755 -11.097 -1.049 1.00 0.00 C ATOM 1046 O CYS A 72 -10.843 -12.301 -1.309 1.00 0.00 O ATOM 1047 CB CYS A 72 -8.865 -9.935 -2.151 1.00 0.00 C ATOM 1048 SG CYS A 72 -8.243 -8.997 -3.558 1.00 0.00 S ATOM 0 H CYS A 72 -10.449 -8.188 -1.303 1.00 0.00 H new ATOM 0 HA CYS A 72 -10.737 -10.474 -3.084 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -8.549 -9.440 -1.233 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -8.403 -10.922 -2.156 1.00 0.00 H new ATOM 0 HG CYS A 72 -7.782 -9.816 -4.456 1.00 0.00 H new ATOM 1054 N LYS A 73 -10.947 -10.582 0.174 1.00 0.00 N ATOM 1055 CA LYS A 73 -11.280 -11.363 1.382 1.00 0.00 C ATOM 1056 C LYS A 73 -10.085 -12.182 1.874 1.00 0.00 C ATOM 1057 O LYS A 73 -9.692 -12.095 3.032 1.00 0.00 O ATOM 1058 CB LYS A 73 -12.528 -12.248 1.187 1.00 0.00 C ATOM 1059 CG LYS A 73 -13.830 -11.477 0.916 1.00 0.00 C ATOM 1060 CD LYS A 73 -14.209 -10.568 2.077 1.00 0.00 C ATOM 1061 CE LYS A 73 -15.640 -10.040 1.941 1.00 0.00 C ATOM 1062 NZ LYS A 73 -15.891 -9.372 0.643 1.00 0.00 N ATOM 0 H LYS A 73 -10.874 -9.582 0.359 1.00 0.00 H new ATOM 0 HA LYS A 73 -11.526 -10.639 2.159 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -12.346 -12.930 0.356 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -12.664 -12.861 2.078 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -13.716 -10.880 0.011 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -14.638 -12.185 0.731 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -14.111 -11.115 3.014 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -13.515 -9.729 2.124 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -16.339 -10.868 2.058 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -15.840 -9.337 2.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -16.681 -8.703 0.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -15.037 -8.857 0.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -16.131 -10.086 -0.074 1.00 0.00 H new ATOM 1076 N ASN A 74 -9.496 -12.916 0.981 1.00 0.00 N ATOM 1077 CA ASN A 74 -8.374 -13.782 1.272 1.00 0.00 C ATOM 1078 C ASN A 74 -7.067 -13.050 1.027 1.00 0.00 C ATOM 1079 O ASN A 74 -6.834 -12.545 -0.069 1.00 0.00 O ATOM 1080 CB ASN A 74 -8.425 -15.034 0.376 1.00 0.00 C ATOM 1081 CG ASN A 74 -9.604 -15.939 0.665 1.00 0.00 C ATOM 1082 OD1 ASN A 74 -10.039 -16.070 1.811 1.00 0.00 O ATOM 1083 ND2 ASN A 74 -10.138 -16.551 -0.357 1.00 0.00 N ATOM 0 H ASN A 74 -9.783 -12.936 0.002 1.00 0.00 H new ATOM 0 HA ASN A 74 -8.432 -14.079 2.319 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -8.464 -14.722 -0.668 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -7.503 -15.600 0.505 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -10.943 -17.162 -0.222 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -9.750 -16.418 -1.291 1.00 0.00 H new ATOM 1090 N PRO A 75 -6.169 -12.976 2.036 1.00 0.00 N ATOM 1091 CA PRO A 75 -4.850 -12.351 1.872 1.00 0.00 C ATOM 1092 C PRO A 75 -3.911 -13.166 1.066 1.00 0.00 C ATOM 1093 O PRO A 75 -2.773 -12.795 0.845 1.00 0.00 O ATOM 1094 CB PRO A 75 -4.287 -12.236 3.220 1.00 0.00 C ATOM 1095 CG PRO A 75 -5.047 -13.220 4.079 1.00 0.00 C ATOM 1096 CD PRO A 75 -6.380 -13.454 3.411 1.00 0.00 C ATOM 0 HA PRO A 75 -4.977 -11.400 1.355 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -3.221 -12.464 3.217 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -4.395 -11.221 3.602 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -4.495 -14.155 4.175 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -5.184 -12.826 5.086 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -6.658 -14.508 3.430 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -7.179 -12.904 3.908 1.00 0.00 H new ATOM 1104 N GLU A 76 -4.399 -14.263 0.629 1.00 0.00 N ATOM 1105 CA GLU A 76 -3.713 -15.157 -0.249 1.00 0.00 C ATOM 1106 C GLU A 76 -3.567 -14.472 -1.624 1.00 0.00 C ATOM 1107 O GLU A 76 -2.851 -14.924 -2.515 1.00 0.00 O ATOM 1108 CB GLU A 76 -4.543 -16.413 -0.338 1.00 0.00 C ATOM 1109 CG GLU A 76 -3.916 -17.540 -1.075 1.00 0.00 C ATOM 1110 CD GLU A 76 -4.848 -18.695 -1.181 1.00 0.00 C ATOM 1111 OE1 GLU A 76 -4.993 -19.454 -0.206 1.00 0.00 O ATOM 1112 OE2 GLU A 76 -5.483 -18.846 -2.237 1.00 0.00 O ATOM 0 H GLU A 76 -5.333 -14.587 0.880 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.715 -15.410 0.109 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -4.776 -16.747 0.673 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.490 -16.169 -0.819 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -3.626 -17.210 -2.073 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -3.004 -17.850 -0.564 1.00 0.00 H new ATOM 1119 N ASP A 77 -4.234 -13.356 -1.741 1.00 0.00 N ATOM 1120 CA ASP A 77 -4.242 -12.558 -2.953 1.00 0.00 C ATOM 1121 C ASP A 77 -3.809 -11.137 -2.611 1.00 0.00 C ATOM 1122 O ASP A 77 -3.774 -10.243 -3.448 1.00 0.00 O ATOM 1123 CB ASP A 77 -5.625 -12.601 -3.597 1.00 0.00 C ATOM 1124 CG ASP A 77 -5.728 -11.831 -4.898 1.00 0.00 C ATOM 1125 OD1 ASP A 77 -4.923 -12.080 -5.837 1.00 0.00 O ATOM 1126 OD2 ASP A 77 -6.638 -10.999 -5.027 1.00 0.00 O ATOM 0 H ASP A 77 -4.799 -12.963 -0.988 1.00 0.00 H new ATOM 0 HA ASP A 77 -3.538 -12.962 -3.681 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -5.896 -13.641 -3.781 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -6.354 -12.201 -2.892 1.00 0.00 H new ATOM 1131 N LEU A 78 -3.423 -10.960 -1.371 1.00 0.00 N ATOM 1132 CA LEU A 78 -2.937 -9.727 -0.894 1.00 0.00 C ATOM 1133 C LEU A 78 -1.442 -9.763 -1.111 1.00 0.00 C ATOM 1134 O LEU A 78 -0.697 -10.414 -0.363 1.00 0.00 O ATOM 1135 CB LEU A 78 -3.242 -9.625 0.575 1.00 0.00 C ATOM 1136 CG LEU A 78 -2.827 -8.371 1.249 1.00 0.00 C ATOM 1137 CD1 LEU A 78 -3.733 -7.231 0.928 1.00 0.00 C ATOM 1138 CD2 LEU A 78 -2.665 -8.546 2.708 1.00 0.00 C ATOM 0 H LEU A 78 -3.446 -11.696 -0.665 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.390 -8.875 -1.401 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -4.317 -9.746 0.710 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -2.761 -10.461 1.083 1.00 0.00 H new ATOM 0 HG LEU A 78 -1.845 -8.119 0.849 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.388 -6.335 1.445 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -3.728 -7.054 -0.148 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -4.746 -7.469 1.252 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -2.360 -7.600 3.156 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.612 -8.866 3.143 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -1.903 -9.301 2.902 1.00 0.00 H new ATOM 1150 N GLU A 79 -1.045 -9.182 -2.168 1.00 0.00 N ATOM 1151 CA GLU A 79 0.285 -9.173 -2.613 1.00 0.00 C ATOM 1152 C GLU A 79 0.521 -7.842 -3.249 1.00 0.00 C ATOM 1153 O GLU A 79 -0.361 -7.331 -3.914 1.00 0.00 O ATOM 1154 CB GLU A 79 0.371 -10.221 -3.682 1.00 0.00 C ATOM 1155 CG GLU A 79 1.705 -10.400 -4.294 1.00 0.00 C ATOM 1156 CD GLU A 79 2.737 -10.900 -3.321 1.00 0.00 C ATOM 1157 OE1 GLU A 79 2.920 -12.136 -3.197 1.00 0.00 O ATOM 1158 OE2 GLU A 79 3.416 -10.066 -2.702 1.00 0.00 O ATOM 0 H GLU A 79 -1.677 -8.669 -2.783 1.00 0.00 H new ATOM 0 HA GLU A 79 1.001 -9.354 -1.811 1.00 0.00 H new ATOM 0 HB2 GLU A 79 0.055 -11.174 -3.258 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -0.340 -9.971 -4.469 1.00 0.00 H new ATOM 0 HG2 GLU A 79 1.626 -11.102 -5.124 1.00 0.00 H new ATOM 0 HG3 GLU A 79 2.038 -9.449 -4.711 1.00 0.00 H new ATOM 1165 N CYS A 80 1.700 -7.309 -3.109 1.00 0.00 N ATOM 1166 CA CYS A 80 2.019 -6.040 -3.717 1.00 0.00 C ATOM 1167 C CYS A 80 2.425 -6.308 -5.140 1.00 0.00 C ATOM 1168 O CYS A 80 3.604 -6.290 -5.507 1.00 0.00 O ATOM 1169 CB CYS A 80 3.103 -5.262 -2.931 1.00 0.00 C ATOM 1170 SG CYS A 80 3.674 -3.723 -3.695 1.00 0.00 S ATOM 0 H CYS A 80 2.462 -7.731 -2.578 1.00 0.00 H new ATOM 0 HA CYS A 80 1.144 -5.391 -3.697 1.00 0.00 H new ATOM 0 HB2 CYS A 80 2.712 -5.031 -1.940 1.00 0.00 H new ATOM 0 HB3 CYS A 80 3.963 -5.917 -2.789 1.00 0.00 H new ATOM 0 HG CYS A 80 4.952 -3.799 -3.921 1.00 0.00 H new ATOM 1176 N ASN A 81 1.451 -6.664 -5.918 1.00 0.00 N ATOM 1177 CA ASN A 81 1.710 -7.039 -7.278 1.00 0.00 C ATOM 1178 C ASN A 81 1.365 -5.878 -8.168 1.00 0.00 C ATOM 1179 O ASN A 81 0.964 -4.842 -7.694 1.00 0.00 O ATOM 1180 CB ASN A 81 0.897 -8.251 -7.705 1.00 0.00 C ATOM 1181 CG ASN A 81 -0.596 -7.915 -7.770 1.00 0.00 C ATOM 1182 OD1 ASN A 81 -1.061 -7.395 -8.689 1.00 0.00 O ATOM 1183 ND2 ASN A 81 -1.303 -8.190 -6.808 1.00 0.00 N ATOM 0 H ASN A 81 0.471 -6.704 -5.638 1.00 0.00 H new ATOM 0 HA ASN A 81 2.764 -7.303 -7.362 1.00 0.00 H new ATOM 0 HB2 ASN A 81 1.238 -8.597 -8.681 1.00 0.00 H new ATOM 0 HB3 ASN A 81 1.059 -9.068 -7.002 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -2.296 -7.959 -6.823 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -0.898 -8.650 -5.992 1.00 0.00 H new ATOM 1190 N GLU A 82 1.479 -6.107 -9.438 1.00 0.00 N ATOM 1191 CA GLU A 82 1.152 -5.168 -10.496 1.00 0.00 C ATOM 1192 C GLU A 82 -0.234 -4.544 -10.353 1.00 0.00 C ATOM 1193 O GLU A 82 -0.362 -3.338 -10.324 1.00 0.00 O ATOM 1194 CB GLU A 82 1.222 -5.923 -11.753 1.00 0.00 C ATOM 1195 CG GLU A 82 2.639 -6.173 -12.203 1.00 0.00 C ATOM 1196 CD GLU A 82 3.348 -4.893 -12.597 1.00 0.00 C ATOM 1197 OE1 GLU A 82 3.113 -4.385 -13.714 1.00 0.00 O ATOM 1198 OE2 GLU A 82 4.141 -4.350 -11.797 1.00 0.00 O ATOM 0 H GLU A 82 1.820 -6.999 -9.797 1.00 0.00 H new ATOM 0 HA GLU A 82 1.855 -4.336 -10.458 1.00 0.00 H new ATOM 0 HB2 GLU A 82 0.711 -6.878 -11.628 1.00 0.00 H new ATOM 0 HB3 GLU A 82 0.689 -5.376 -12.531 1.00 0.00 H new ATOM 0 HG2 GLU A 82 3.193 -6.661 -11.401 1.00 0.00 H new ATOM 0 HG3 GLU A 82 2.634 -6.859 -13.050 1.00 0.00 H new ATOM 1205 N ASN A 83 -1.241 -5.402 -10.253 1.00 0.00 N ATOM 1206 CA ASN A 83 -2.644 -5.036 -10.029 1.00 0.00 C ATOM 1207 C ASN A 83 -2.712 -4.122 -8.859 1.00 0.00 C ATOM 1208 O ASN A 83 -3.275 -3.017 -8.937 1.00 0.00 O ATOM 1209 CB ASN A 83 -3.481 -6.295 -9.666 1.00 0.00 C ATOM 1210 CG ASN A 83 -4.945 -5.981 -9.349 1.00 0.00 C ATOM 1211 OD1 ASN A 83 -5.547 -5.061 -9.920 1.00 0.00 O ATOM 1212 ND2 ASN A 83 -5.519 -6.713 -8.428 1.00 0.00 N ATOM 0 H ASN A 83 -1.104 -6.410 -10.328 1.00 0.00 H new ATOM 0 HA ASN A 83 -3.033 -4.572 -10.936 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -3.440 -7.001 -10.495 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -3.028 -6.788 -8.805 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -6.487 -6.533 -8.163 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -4.998 -7.464 -7.975 1.00 0.00 H new ATOM 1219 N VAL A 84 -2.093 -4.561 -7.768 1.00 0.00 N ATOM 1220 CA VAL A 84 -2.128 -3.778 -6.559 1.00 0.00 C ATOM 1221 C VAL A 84 -1.402 -2.447 -6.729 1.00 0.00 C ATOM 1222 O VAL A 84 -1.924 -1.404 -6.348 1.00 0.00 O ATOM 1223 CB VAL A 84 -1.623 -4.576 -5.366 1.00 0.00 C ATOM 1224 CG1 VAL A 84 -1.505 -3.723 -4.133 1.00 0.00 C ATOM 1225 CG2 VAL A 84 -2.572 -5.695 -5.107 1.00 0.00 C ATOM 0 H VAL A 84 -1.574 -5.437 -7.704 1.00 0.00 H new ATOM 0 HA VAL A 84 -3.170 -3.533 -6.351 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.629 -4.956 -5.600 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -1.141 -4.330 -3.304 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.806 -2.908 -4.320 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.482 -3.312 -3.880 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.224 -6.277 -4.254 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.561 -5.291 -4.891 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.626 -6.337 -5.986 1.00 0.00 H new ATOM 1235 N LYS A 85 -0.239 -2.483 -7.347 1.00 0.00 N ATOM 1236 CA LYS A 85 0.543 -1.272 -7.613 1.00 0.00 C ATOM 1237 C LYS A 85 -0.227 -0.294 -8.427 1.00 0.00 C ATOM 1238 O LYS A 85 -0.329 0.859 -8.059 1.00 0.00 O ATOM 1239 CB LYS A 85 1.841 -1.614 -8.297 1.00 0.00 C ATOM 1240 CG LYS A 85 2.730 -2.398 -7.409 1.00 0.00 C ATOM 1241 CD LYS A 85 3.956 -2.881 -8.102 1.00 0.00 C ATOM 1242 CE LYS A 85 4.627 -3.841 -7.196 1.00 0.00 C ATOM 1243 NZ LYS A 85 5.893 -4.365 -7.724 1.00 0.00 N ATOM 0 H LYS A 85 0.197 -3.343 -7.681 1.00 0.00 H new ATOM 0 HA LYS A 85 0.765 -0.808 -6.652 1.00 0.00 H new ATOM 0 HB2 LYS A 85 1.637 -2.183 -9.204 1.00 0.00 H new ATOM 0 HB3 LYS A 85 2.346 -0.697 -8.602 1.00 0.00 H new ATOM 0 HG2 LYS A 85 3.018 -1.783 -6.556 1.00 0.00 H new ATOM 0 HG3 LYS A 85 2.180 -3.253 -7.015 1.00 0.00 H new ATOM 0 HD2 LYS A 85 3.699 -3.360 -9.047 1.00 0.00 H new ATOM 0 HD3 LYS A 85 4.618 -2.047 -8.337 1.00 0.00 H new ATOM 0 HE2 LYS A 85 4.817 -3.353 -6.240 1.00 0.00 H new ATOM 0 HE3 LYS A 85 3.952 -4.675 -7.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 6.306 -5.029 -7.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 5.717 -4.859 -8.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 6.554 -3.578 -7.885 1.00 0.00 H new ATOM 1257 N HIS A 86 -0.813 -0.790 -9.481 1.00 0.00 N ATOM 1258 CA HIS A 86 -1.616 0.004 -10.416 1.00 0.00 C ATOM 1259 C HIS A 86 -2.705 0.734 -9.643 1.00 0.00 C ATOM 1260 O HIS A 86 -2.833 1.970 -9.695 1.00 0.00 O ATOM 1261 CB HIS A 86 -2.231 -0.924 -11.490 1.00 0.00 C ATOM 1262 CG HIS A 86 -3.049 -0.231 -12.539 1.00 0.00 C ATOM 1263 ND1 HIS A 86 -4.265 -0.700 -12.985 1.00 0.00 N ATOM 1264 CD2 HIS A 86 -2.798 0.877 -13.249 1.00 0.00 C ATOM 1265 CE1 HIS A 86 -4.723 0.090 -13.926 1.00 0.00 C ATOM 1266 NE2 HIS A 86 -3.851 1.061 -14.109 1.00 0.00 N ATOM 0 H HIS A 86 -0.755 -1.776 -9.734 1.00 0.00 H new ATOM 0 HA HIS A 86 -0.987 0.740 -10.918 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -1.425 -1.469 -11.982 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -2.858 -1.664 -10.992 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -1.927 1.509 -13.161 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -5.654 -0.034 -14.459 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -3.944 1.824 -14.780 1.00 0.00 H new ATOM 1274 N LYS A 87 -3.406 -0.040 -8.872 1.00 0.00 N ATOM 1275 CA LYS A 87 -4.488 0.400 -8.022 1.00 0.00 C ATOM 1276 C LYS A 87 -3.988 1.458 -7.060 1.00 0.00 C ATOM 1277 O LYS A 87 -4.623 2.493 -6.868 1.00 0.00 O ATOM 1278 CB LYS A 87 -4.999 -0.785 -7.253 1.00 0.00 C ATOM 1279 CG LYS A 87 -6.224 -0.539 -6.427 1.00 0.00 C ATOM 1280 CD LYS A 87 -6.314 -1.562 -5.321 1.00 0.00 C ATOM 1281 CE LYS A 87 -6.287 -3.003 -5.842 1.00 0.00 C ATOM 1282 NZ LYS A 87 -6.351 -3.993 -4.752 1.00 0.00 N ATOM 0 H LYS A 87 -3.237 -1.044 -8.810 1.00 0.00 H new ATOM 0 HA LYS A 87 -5.288 0.828 -8.627 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -5.213 -1.589 -7.958 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -4.205 -1.140 -6.596 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -6.192 0.465 -6.003 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -7.113 -0.591 -7.055 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -5.485 -1.415 -4.628 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -7.233 -1.401 -4.757 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -7.126 -3.158 -6.520 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -5.377 -3.161 -6.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -6.794 -4.867 -5.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -5.389 -4.203 -4.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -6.915 -3.609 -3.967 1.00 0.00 H new ATOM 1296 N THR A 88 -2.836 1.236 -6.579 1.00 0.00 N ATOM 1297 CA THR A 88 -2.280 1.991 -5.569 1.00 0.00 C ATOM 1298 C THR A 88 -1.864 3.322 -6.050 1.00 0.00 C ATOM 1299 O THR A 88 -2.385 4.299 -5.597 1.00 0.00 O ATOM 1300 CB THR A 88 -1.129 1.244 -4.975 1.00 0.00 C ATOM 1301 OG1 THR A 88 -1.630 0.153 -4.209 1.00 0.00 O ATOM 1302 CG2 THR A 88 -0.253 2.145 -4.168 1.00 0.00 C ATOM 0 H THR A 88 -2.233 0.480 -6.904 1.00 0.00 H new ATOM 0 HA THR A 88 -3.034 2.160 -4.800 1.00 0.00 H new ATOM 0 HB THR A 88 -0.501 0.849 -5.774 1.00 0.00 H new ATOM 0 HG1 THR A 88 -1.876 -0.582 -4.809 1.00 0.00 H new ATOM 0 HG21 THR A 88 0.574 1.570 -3.750 1.00 0.00 H new ATOM 0 HG22 THR A 88 0.141 2.936 -4.806 1.00 0.00 H new ATOM 0 HG23 THR A 88 -0.833 2.587 -3.358 1.00 0.00 H new ATOM 1310 N LYS A 89 -0.979 3.361 -7.001 1.00 0.00 N ATOM 1311 CA LYS A 89 -0.490 4.610 -7.463 1.00 0.00 C ATOM 1312 C LYS A 89 -1.599 5.478 -8.080 1.00 0.00 C ATOM 1313 O LYS A 89 -1.589 6.703 -7.927 1.00 0.00 O ATOM 1314 CB LYS A 89 0.764 4.444 -8.337 1.00 0.00 C ATOM 1315 CG LYS A 89 0.720 3.291 -9.322 1.00 0.00 C ATOM 1316 CD LYS A 89 -0.258 3.476 -10.418 1.00 0.00 C ATOM 1317 CE LYS A 89 0.079 4.710 -11.281 1.00 0.00 C ATOM 1318 NZ LYS A 89 -0.870 4.928 -12.395 1.00 0.00 N ATOM 0 H LYS A 89 -0.587 2.542 -7.466 1.00 0.00 H new ATOM 0 HA LYS A 89 -0.153 5.180 -6.597 1.00 0.00 H new ATOM 0 HB2 LYS A 89 0.925 5.368 -8.892 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.627 4.310 -7.684 1.00 0.00 H new ATOM 0 HG2 LYS A 89 1.712 3.156 -9.752 1.00 0.00 H new ATOM 0 HG3 LYS A 89 0.478 2.375 -8.783 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -0.273 2.586 -11.046 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -1.258 3.587 -9.999 1.00 0.00 H new ATOM 0 HE2 LYS A 89 0.091 5.596 -10.646 1.00 0.00 H new ATOM 0 HE3 LYS A 89 1.084 4.596 -11.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -0.341 5.144 -13.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -1.439 4.069 -12.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -1.498 5.724 -12.165 1.00 0.00 H new ATOM 1332 N GLU A 90 -2.592 4.822 -8.728 1.00 0.00 N ATOM 1333 CA GLU A 90 -3.757 5.567 -9.249 1.00 0.00 C ATOM 1334 C GLU A 90 -4.572 6.127 -8.100 1.00 0.00 C ATOM 1335 O GLU A 90 -5.023 7.295 -8.147 1.00 0.00 O ATOM 1336 CB GLU A 90 -4.685 4.732 -10.134 1.00 0.00 C ATOM 1337 CG GLU A 90 -4.073 4.211 -11.408 1.00 0.00 C ATOM 1338 CD GLU A 90 -5.116 3.685 -12.351 1.00 0.00 C ATOM 1339 OE1 GLU A 90 -5.872 2.763 -11.980 1.00 0.00 O ATOM 1340 OE2 GLU A 90 -5.206 4.199 -13.486 1.00 0.00 O ATOM 0 H GLU A 90 -2.610 3.816 -8.897 1.00 0.00 H new ATOM 0 HA GLU A 90 -3.342 6.361 -9.870 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -5.047 3.884 -9.552 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -5.555 5.337 -10.390 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -3.512 5.009 -11.895 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -3.362 3.419 -11.173 1.00 0.00 H new ATOM 1347 N TYR A 91 -4.681 5.332 -7.032 1.00 0.00 N ATOM 1348 CA TYR A 91 -5.447 5.715 -5.874 1.00 0.00 C ATOM 1349 C TYR A 91 -4.771 6.851 -5.206 1.00 0.00 C ATOM 1350 O TYR A 91 -5.385 7.819 -4.926 1.00 0.00 O ATOM 1351 CB TYR A 91 -5.578 4.542 -4.902 1.00 0.00 C ATOM 1352 CG TYR A 91 -5.950 4.902 -3.474 1.00 0.00 C ATOM 1353 CD1 TYR A 91 -7.191 5.422 -3.151 1.00 0.00 C ATOM 1354 CD2 TYR A 91 -5.048 4.667 -2.442 1.00 0.00 C ATOM 1355 CE1 TYR A 91 -7.523 5.694 -1.835 1.00 0.00 C ATOM 1356 CE2 TYR A 91 -5.364 4.944 -1.134 1.00 0.00 C ATOM 1357 CZ TYR A 91 -6.603 5.451 -0.832 1.00 0.00 C ATOM 1358 OH TYR A 91 -6.930 5.713 0.485 1.00 0.00 O ATOM 0 H TYR A 91 -4.240 4.415 -6.959 1.00 0.00 H new ATOM 0 HA TYR A 91 -6.448 6.010 -6.188 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -6.330 3.855 -5.291 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -4.631 4.002 -4.885 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -7.908 5.618 -3.934 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -4.076 4.257 -2.674 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -8.496 6.094 -1.593 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -4.643 4.764 -0.350 1.00 0.00 H new ATOM 0 HH TYR A 91 -6.803 6.667 0.670 1.00 0.00 H new ATOM 1368 N ILE A 92 -3.490 6.690 -4.964 1.00 0.00 N ATOM 1369 CA ILE A 92 -2.636 7.703 -4.334 1.00 0.00 C ATOM 1370 C ILE A 92 -2.750 9.031 -5.009 1.00 0.00 C ATOM 1371 O ILE A 92 -3.030 10.027 -4.346 1.00 0.00 O ATOM 1372 CB ILE A 92 -1.163 7.278 -4.371 1.00 0.00 C ATOM 1373 CG1 ILE A 92 -0.958 5.990 -3.584 1.00 0.00 C ATOM 1374 CG2 ILE A 92 -0.253 8.412 -3.869 1.00 0.00 C ATOM 1375 CD1 ILE A 92 -0.686 6.172 -2.158 1.00 0.00 C ATOM 0 H ILE A 92 -2.989 5.834 -5.201 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.980 7.793 -3.304 1.00 0.00 H new ATOM 0 HB ILE A 92 -0.884 7.077 -5.405 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -1.848 5.370 -3.692 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -0.130 5.438 -4.029 1.00 0.00 H new ATOM 0 HG21 ILE A 92 0.787 8.087 -3.905 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -0.381 9.289 -4.504 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -0.519 8.665 -2.843 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -0.555 5.199 -1.685 1.00 0.00 H new ATOM 0 HD12 ILE A 92 0.223 6.761 -2.033 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -1.523 6.692 -1.691 1.00 0.00 H new ATOM 1387 N LYS A 93 -2.521 9.056 -6.300 1.00 0.00 N ATOM 1388 CA LYS A 93 -2.596 10.285 -7.019 1.00 0.00 C ATOM 1389 C LYS A 93 -3.963 10.897 -6.855 1.00 0.00 C ATOM 1390 O LYS A 93 -4.086 12.029 -6.357 1.00 0.00 O ATOM 1391 CB LYS A 93 -2.191 10.105 -8.487 1.00 0.00 C ATOM 1392 CG LYS A 93 -0.714 9.752 -8.633 1.00 0.00 C ATOM 1393 CD LYS A 93 -0.260 9.646 -10.075 1.00 0.00 C ATOM 1394 CE LYS A 93 1.256 9.503 -10.135 1.00 0.00 C ATOM 1395 NZ LYS A 93 1.767 9.402 -11.515 1.00 0.00 N ATOM 0 H LYS A 93 -2.283 8.239 -6.863 1.00 0.00 H new ATOM 0 HA LYS A 93 -1.874 10.985 -6.598 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -2.798 9.319 -8.937 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -2.400 11.023 -9.036 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -0.115 10.509 -8.126 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -0.523 8.804 -8.129 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -0.734 8.788 -10.552 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -0.572 10.531 -10.629 1.00 0.00 H new ATOM 0 HE2 LYS A 93 1.717 10.360 -9.644 1.00 0.00 H new ATOM 0 HE3 LYS A 93 1.555 8.616 -9.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 2.802 9.307 -11.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 1.351 8.569 -11.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 1.508 10.259 -12.045 1.00 0.00 H new ATOM 1409 N LYS A 94 -4.986 10.090 -7.058 1.00 0.00 N ATOM 1410 CA LYS A 94 -6.341 10.595 -7.006 1.00 0.00 C ATOM 1411 C LYS A 94 -6.652 11.060 -5.590 1.00 0.00 C ATOM 1412 O LYS A 94 -7.361 12.052 -5.382 1.00 0.00 O ATOM 1413 CB LYS A 94 -7.346 9.528 -7.451 1.00 0.00 C ATOM 1414 CG LYS A 94 -8.782 10.012 -7.476 1.00 0.00 C ATOM 1415 CD LYS A 94 -9.743 8.904 -7.847 1.00 0.00 C ATOM 1416 CE LYS A 94 -11.163 9.426 -7.878 1.00 0.00 C ATOM 1417 NZ LYS A 94 -12.156 8.391 -8.236 1.00 0.00 N ATOM 0 H LYS A 94 -4.906 9.093 -7.258 1.00 0.00 H new ATOM 0 HA LYS A 94 -6.428 11.437 -7.693 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -7.073 9.178 -8.447 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -7.273 8.671 -6.781 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -9.048 10.411 -6.497 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -8.877 10.830 -8.190 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -9.478 8.495 -8.822 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -9.664 8.089 -7.127 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -11.413 9.838 -6.900 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -11.227 10.245 -8.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -13.108 8.810 -8.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -11.939 8.014 -9.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -12.120 7.620 -7.539 1.00 0.00 H new ATOM 1431 N TYR A 95 -6.097 10.350 -4.644 1.00 0.00 N ATOM 1432 CA TYR A 95 -6.234 10.637 -3.278 1.00 0.00 C ATOM 1433 C TYR A 95 -5.659 12.000 -2.983 1.00 0.00 C ATOM 1434 O TYR A 95 -6.350 12.862 -2.543 1.00 0.00 O ATOM 1435 CB TYR A 95 -5.506 9.553 -2.509 1.00 0.00 C ATOM 1436 CG TYR A 95 -5.557 9.663 -1.019 1.00 0.00 C ATOM 1437 CD1 TYR A 95 -4.913 10.672 -0.334 1.00 0.00 C ATOM 1438 CD2 TYR A 95 -6.251 8.745 -0.313 1.00 0.00 C ATOM 1439 CE1 TYR A 95 -4.960 10.750 1.028 1.00 0.00 C ATOM 1440 CE2 TYR A 95 -6.324 8.795 1.052 1.00 0.00 C ATOM 1441 CZ TYR A 95 -5.681 9.790 1.727 1.00 0.00 C ATOM 1442 OH TYR A 95 -5.728 9.801 3.089 1.00 0.00 O ATOM 0 H TYR A 95 -5.520 9.530 -4.831 1.00 0.00 H new ATOM 0 HA TYR A 95 -7.283 10.655 -2.982 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -5.923 8.588 -2.797 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -4.461 9.554 -2.819 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -4.360 11.416 -0.887 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -6.761 7.952 -0.839 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -4.447 11.543 1.552 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -6.888 8.050 1.593 1.00 0.00 H new ATOM 0 HH TYR A 95 -6.280 9.055 3.403 1.00 0.00 H new ATOM 1452 N MET A 96 -4.399 12.195 -3.284 1.00 0.00 N ATOM 1453 CA MET A 96 -3.728 13.408 -2.953 1.00 0.00 C ATOM 1454 C MET A 96 -4.318 14.619 -3.643 1.00 0.00 C ATOM 1455 O MET A 96 -4.149 15.753 -3.174 1.00 0.00 O ATOM 1456 CB MET A 96 -2.256 13.306 -3.195 1.00 0.00 C ATOM 1457 CG MET A 96 -1.617 12.125 -2.487 1.00 0.00 C ATOM 1458 SD MET A 96 -0.005 12.483 -1.837 1.00 0.00 S ATOM 1459 CE MET A 96 -0.406 13.884 -0.841 1.00 0.00 C ATOM 0 H MET A 96 -3.817 11.510 -3.766 1.00 0.00 H new ATOM 0 HA MET A 96 -3.884 13.558 -1.885 1.00 0.00 H new ATOM 0 HB2 MET A 96 -2.075 13.221 -4.266 1.00 0.00 H new ATOM 0 HB3 MET A 96 -1.774 14.226 -2.862 1.00 0.00 H new ATOM 0 HG2 MET A 96 -2.266 11.804 -1.672 1.00 0.00 H new ATOM 0 HG3 MET A 96 -1.543 11.290 -3.183 1.00 0.00 H new ATOM 0 HE1 MET A 96 0.398 14.066 -0.128 1.00 0.00 H new ATOM 0 HE2 MET A 96 -0.531 14.760 -1.478 1.00 0.00 H new ATOM 0 HE3 MET A 96 -1.334 13.693 -0.301 1.00 0.00 H new ATOM 1469 N GLN A 97 -5.053 14.380 -4.735 1.00 0.00 N ATOM 1470 CA GLN A 97 -5.736 15.471 -5.427 1.00 0.00 C ATOM 1471 C GLN A 97 -6.783 16.132 -4.525 1.00 0.00 C ATOM 1472 O GLN A 97 -7.198 17.248 -4.774 1.00 0.00 O ATOM 1473 CB GLN A 97 -6.394 15.032 -6.741 1.00 0.00 C ATOM 1474 CG GLN A 97 -5.495 14.257 -7.690 1.00 0.00 C ATOM 1475 CD GLN A 97 -4.118 14.858 -7.857 1.00 0.00 C ATOM 1476 OE1 GLN A 97 -3.885 15.702 -8.712 1.00 0.00 O ATOM 1477 NE2 GLN A 97 -3.187 14.376 -7.056 1.00 0.00 N ATOM 0 H GLN A 97 -5.187 13.458 -5.150 1.00 0.00 H new ATOM 0 HA GLN A 97 -4.959 16.195 -5.674 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -7.262 14.417 -6.506 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -6.762 15.918 -7.258 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -5.393 13.235 -7.325 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -5.977 14.200 -8.666 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -3.429 13.673 -6.358 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -2.225 14.706 -7.135 1.00 0.00 H new ATOM 1486 N LYS A 98 -7.183 15.442 -3.468 1.00 0.00 N ATOM 1487 CA LYS A 98 -8.192 15.945 -2.553 1.00 0.00 C ATOM 1488 C LYS A 98 -7.623 17.041 -1.645 1.00 0.00 C ATOM 1489 O LYS A 98 -8.378 17.845 -1.096 1.00 0.00 O ATOM 1490 CB LYS A 98 -8.780 14.775 -1.721 1.00 0.00 C ATOM 1491 CG LYS A 98 -7.881 14.240 -0.587 1.00 0.00 C ATOM 1492 CD LYS A 98 -8.051 14.985 0.741 1.00 0.00 C ATOM 1493 CE LYS A 98 -9.442 14.845 1.390 1.00 0.00 C ATOM 1494 NZ LYS A 98 -10.578 15.443 0.645 1.00 0.00 N ATOM 0 H LYS A 98 -6.818 14.522 -3.222 1.00 0.00 H new ATOM 0 HA LYS A 98 -8.995 16.396 -3.136 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -9.725 15.102 -1.287 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -9.008 13.951 -2.398 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -8.099 13.184 -0.431 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -6.839 14.307 -0.900 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -7.300 14.622 1.443 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -7.848 16.043 0.576 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -9.647 13.784 1.534 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -9.405 15.299 2.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -11.287 15.798 1.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -10.233 16.230 0.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -11.011 14.721 0.035 1.00 0.00 H new ATOM 1508 N PHE A 99 -6.301 17.055 -1.468 1.00 0.00 N ATOM 1509 CA PHE A 99 -5.676 18.034 -0.574 1.00 0.00 C ATOM 1510 C PHE A 99 -5.557 19.388 -1.226 1.00 0.00 C ATOM 1511 O PHE A 99 -5.631 20.417 -0.560 1.00 0.00 O ATOM 1512 CB PHE A 99 -4.306 17.577 -0.054 1.00 0.00 C ATOM 1513 CG PHE A 99 -4.354 16.382 0.838 1.00 0.00 C ATOM 1514 CD1 PHE A 99 -4.924 16.477 2.097 1.00 0.00 C ATOM 1515 CD2 PHE A 99 -3.842 15.158 0.418 1.00 0.00 C ATOM 1516 CE1 PHE A 99 -4.991 15.370 2.915 1.00 0.00 C ATOM 1517 CE2 PHE A 99 -3.893 14.047 1.244 1.00 0.00 C ATOM 1518 CZ PHE A 99 -4.474 14.157 2.492 1.00 0.00 C ATOM 0 H PHE A 99 -5.651 16.413 -1.922 1.00 0.00 H new ATOM 0 HA PHE A 99 -6.342 18.116 0.285 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -3.663 17.354 -0.906 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -3.843 18.402 0.488 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -5.318 17.423 2.439 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -3.400 15.073 -0.564 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -5.449 15.449 3.890 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -3.482 13.104 0.915 1.00 0.00 H new ATOM 0 HZ PHE A 99 -4.525 13.294 3.140 1.00 0.00 H new ATOM 1528 N GLY A 100 -5.381 19.390 -2.509 1.00 0.00 N ATOM 1529 CA GLY A 100 -5.231 20.606 -3.209 1.00 0.00 C ATOM 1530 C GLY A 100 -3.791 20.857 -3.431 1.00 0.00 C ATOM 1531 O GLY A 100 -3.108 20.030 -4.000 1.00 0.00 O ATOM 0 H GLY A 100 -5.339 18.552 -3.088 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -5.757 20.559 -4.163 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -5.673 21.425 -2.641 1.00 0.00 H new ATOM 1535 N ALA A 101 -3.309 21.927 -2.922 1.00 0.00 N ATOM 1536 CA ALA A 101 -1.929 22.275 -3.112 1.00 0.00 C ATOM 1537 C ALA A 101 -1.052 21.615 -2.064 1.00 0.00 C ATOM 1538 O ALA A 101 0.005 21.074 -2.381 1.00 0.00 O ATOM 1539 CB ALA A 101 -1.750 23.780 -3.095 1.00 0.00 C ATOM 0 H ALA A 101 -3.845 22.591 -2.363 1.00 0.00 H new ATOM 0 HA ALA A 101 -1.618 21.905 -4.089 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -0.697 24.023 -3.241 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.339 24.226 -3.896 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -2.084 24.175 -2.136 1.00 0.00 H new ATOM 1545 N VAL A 102 -1.504 21.604 -0.826 1.00 0.00 N ATOM 1546 CA VAL A 102 -0.677 21.085 0.253 1.00 0.00 C ATOM 1547 C VAL A 102 -1.425 19.967 0.945 1.00 0.00 C ATOM 1548 O VAL A 102 -2.652 19.953 0.979 1.00 0.00 O ATOM 1549 CB VAL A 102 -0.314 22.160 1.300 1.00 0.00 C ATOM 1550 CG1 VAL A 102 0.966 21.839 2.027 1.00 0.00 C ATOM 1551 CG2 VAL A 102 -0.296 23.554 0.720 1.00 0.00 C ATOM 0 H VAL A 102 -2.423 21.942 -0.541 1.00 0.00 H new ATOM 0 HA VAL A 102 0.254 20.732 -0.190 1.00 0.00 H new ATOM 0 HB VAL A 102 -1.114 22.142 2.040 1.00 0.00 H new ATOM 0 HG11 VAL A 102 1.179 22.624 2.753 1.00 0.00 H new ATOM 0 HG12 VAL A 102 0.861 20.885 2.544 1.00 0.00 H new ATOM 0 HG13 VAL A 102 1.785 21.775 1.311 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -0.035 24.269 1.500 1.00 0.00 H new ATOM 0 HG22 VAL A 102 0.442 23.605 -0.081 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -1.282 23.795 0.322 1.00 0.00 H new ATOM 1561 N TYR A 103 -0.679 19.067 1.501 1.00 0.00 N ATOM 1562 CA TYR A 103 -1.181 17.928 2.183 1.00 0.00 C ATOM 1563 C TYR A 103 -1.574 18.295 3.596 1.00 0.00 C ATOM 1564 O TYR A 103 -0.737 18.477 4.479 1.00 0.00 O ATOM 1565 CB TYR A 103 -0.167 16.761 2.110 1.00 0.00 C ATOM 1566 CG TYR A 103 -0.352 15.660 3.138 1.00 0.00 C ATOM 1567 CD1 TYR A 103 -1.584 15.149 3.425 1.00 0.00 C ATOM 1568 CD2 TYR A 103 0.720 15.176 3.836 1.00 0.00 C ATOM 1569 CE1 TYR A 103 -1.755 14.186 4.377 1.00 0.00 C ATOM 1570 CE2 TYR A 103 0.565 14.212 4.801 1.00 0.00 C ATOM 1571 CZ TYR A 103 -0.670 13.722 5.071 1.00 0.00 C ATOM 1572 OH TYR A 103 -0.825 12.776 6.060 1.00 0.00 O ATOM 0 H TYR A 103 0.340 19.112 1.489 1.00 0.00 H new ATOM 0 HA TYR A 103 -2.087 17.576 1.691 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -0.223 16.317 1.116 1.00 0.00 H new ATOM 0 HB3 TYR A 103 0.837 17.170 2.220 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -2.445 15.515 2.886 1.00 0.00 H new ATOM 0 HD2 TYR A 103 1.707 15.559 3.624 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -2.740 13.793 4.581 1.00 0.00 H new ATOM 0 HE2 TYR A 103 1.424 13.845 5.343 1.00 0.00 H new ATOM 0 HH TYR A 103 0.049 12.561 6.447 1.00 0.00 H new ATOM 1582 N LYS A 104 -2.839 18.450 3.759 1.00 0.00 N ATOM 1583 CA LYS A 104 -3.465 18.758 5.015 1.00 0.00 C ATOM 1584 C LYS A 104 -4.412 17.637 5.469 1.00 0.00 C ATOM 1585 O LYS A 104 -5.586 17.609 5.108 1.00 0.00 O ATOM 1586 CB LYS A 104 -4.145 20.107 4.901 1.00 0.00 C ATOM 1587 CG LYS A 104 -4.824 20.367 3.576 1.00 0.00 C ATOM 1588 CD LYS A 104 -5.206 21.834 3.460 1.00 0.00 C ATOM 1589 CE LYS A 104 -5.648 22.189 2.057 1.00 0.00 C ATOM 1590 NZ LYS A 104 -6.932 21.559 1.691 1.00 0.00 N ATOM 0 H LYS A 104 -3.505 18.364 2.991 1.00 0.00 H new ATOM 0 HA LYS A 104 -2.710 18.822 5.799 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -4.886 20.192 5.696 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -3.403 20.887 5.072 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -4.159 20.091 2.758 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -5.714 19.744 3.487 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -6.010 22.057 4.162 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -4.355 22.455 3.741 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -5.741 23.272 1.972 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -4.880 21.879 1.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -6.810 21.001 0.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -7.245 20.935 2.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -7.648 22.297 1.531 1.00 0.00 H new ATOM 1604 N PRO A 105 -3.872 16.667 6.239 1.00 0.00 N ATOM 1605 CA PRO A 105 -4.603 15.465 6.689 1.00 0.00 C ATOM 1606 C PRO A 105 -5.831 15.757 7.550 1.00 0.00 C ATOM 1607 O PRO A 105 -6.718 14.917 7.689 1.00 0.00 O ATOM 1608 CB PRO A 105 -3.575 14.646 7.463 1.00 0.00 C ATOM 1609 CG PRO A 105 -2.450 15.578 7.739 1.00 0.00 C ATOM 1610 CD PRO A 105 -2.486 16.657 6.699 1.00 0.00 C ATOM 0 HA PRO A 105 -5.014 14.939 5.827 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -3.999 14.258 8.389 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -3.239 13.787 6.882 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -2.544 16.006 8.737 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -1.498 15.048 7.708 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -2.198 17.622 7.116 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -1.797 16.445 5.882 1.00 0.00 H new