USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 679 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -134:sc= 0.0749 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 40:sc= 0.755 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 41:sc= 0.155 USER MOD Single : A 9 MET CE :methyl -157:sc= -0.159 (180deg=-0.72) USER MOD Single : A 14 LYS NZ :NH3+ -148:sc= -1.52 (180deg=-4.61!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 HIS :FLIP no HD1:sc= -0.0788 F(o=-0.98,f=-0.079) USER MOD Single : A 23 THR OG1 : rot -140:sc= -0.849 USER MOD Single : A 38 HIS : no HD1:sc= -0.0216 X(o=-0.022,f=-0.46) USER MOD Single : A 41 MET CE :methyl 151:sc= -0.93 (180deg=-2.81!) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 HIS :FLIP no HE2:sc= -0.537 F(o=-2.1!,f=-0.54) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -0.419 X(o=-0.42,f=-0.91) USER MOD Single : A 60 GLN : amide:sc= -0.61 K(o=-0.61,f=-1.6) USER MOD Single : A 64 SER OG : rot 180:sc= -0.0307 USER MOD Single : A 70 GLN : amide:sc= -0.762 K(o=-0.76,f=-1.4) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 77 SER OG : rot 180:sc= 0.0749 USER MOD Single : A 79 SER OG : rot 40:sc= 0.813 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 39:sc= 0.164 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.774 -10.303 -16.692 1.00 0.00 N ATOM 2 CA GLY A 1 9.533 -8.891 -16.924 1.00 0.00 C ATOM 3 C GLY A 1 8.846 -8.219 -15.751 1.00 0.00 C ATOM 4 O GLY A 1 8.871 -8.732 -14.633 1.00 0.00 O ATOM 0 H1 GLY A 1 10.747 -10.540 -16.971 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.642 -10.516 -15.683 1.00 0.00 H new ATOM 0 H3 GLY A 1 9.106 -10.866 -17.255 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.482 -8.391 -17.120 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.919 -8.772 -17.817 1.00 0.00 H new ATOM 8 N SER A 2 8.234 -7.068 -16.007 1.00 0.00 N ATOM 9 CA SER A 2 7.542 -6.322 -14.962 1.00 0.00 C ATOM 10 C SER A 2 6.031 -6.386 -15.158 1.00 0.00 C ATOM 11 O SER A 2 5.264 -5.931 -14.310 1.00 0.00 O ATOM 12 CB SER A 2 8.005 -4.864 -14.955 1.00 0.00 C ATOM 13 OG SER A 2 7.878 -4.282 -16.241 1.00 0.00 O ATOM 0 H SER A 2 8.203 -6.631 -16.928 1.00 0.00 H new ATOM 0 HA SER A 2 7.786 -6.778 -14.003 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.416 -4.296 -14.235 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.044 -4.811 -14.629 1.00 0.00 H new ATOM 0 HG SER A 2 8.179 -3.350 -16.209 1.00 0.00 H new ATOM 19 N SER A 3 5.610 -6.955 -16.283 1.00 0.00 N ATOM 20 CA SER A 3 4.190 -7.077 -16.594 1.00 0.00 C ATOM 21 C SER A 3 3.580 -8.281 -15.884 1.00 0.00 C ATOM 22 O SER A 3 3.750 -9.421 -16.315 1.00 0.00 O ATOM 23 CB SER A 3 3.987 -7.203 -18.105 1.00 0.00 C ATOM 24 OG SER A 3 4.676 -8.329 -18.620 1.00 0.00 O ATOM 0 H SER A 3 6.232 -7.339 -16.995 1.00 0.00 H new ATOM 0 HA SER A 3 3.687 -6.177 -16.241 1.00 0.00 H new ATOM 0 HB2 SER A 3 2.923 -7.291 -18.326 1.00 0.00 H new ATOM 0 HB3 SER A 3 4.341 -6.298 -18.599 1.00 0.00 H new ATOM 0 HG SER A 3 4.588 -9.080 -17.996 1.00 0.00 H new ATOM 30 N GLY A 4 2.867 -8.019 -14.793 1.00 0.00 N ATOM 31 CA GLY A 4 2.242 -9.091 -14.040 1.00 0.00 C ATOM 32 C GLY A 4 0.740 -9.138 -14.237 1.00 0.00 C ATOM 33 O GLY A 4 0.042 -8.157 -13.978 1.00 0.00 O ATOM 0 H GLY A 4 2.711 -7.084 -14.417 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.675 -10.044 -14.343 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.463 -8.963 -12.980 1.00 0.00 H new ATOM 37 N SER A 5 0.240 -10.280 -14.699 1.00 0.00 N ATOM 38 CA SER A 5 -1.188 -10.449 -14.936 1.00 0.00 C ATOM 39 C SER A 5 -1.946 -10.583 -13.618 1.00 0.00 C ATOM 40 O SER A 5 -3.001 -9.977 -13.431 1.00 0.00 O ATOM 41 CB SER A 5 -1.440 -11.679 -15.809 1.00 0.00 C ATOM 42 OG SER A 5 -0.808 -11.547 -17.071 1.00 0.00 O ATOM 0 H SER A 5 0.804 -11.102 -14.916 1.00 0.00 H new ATOM 0 HA SER A 5 -1.552 -9.563 -15.456 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.067 -12.570 -15.304 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.512 -11.816 -15.948 1.00 0.00 H new ATOM 0 HG SER A 5 -0.983 -12.347 -17.610 1.00 0.00 H new ATOM 48 N SER A 6 -1.399 -11.382 -12.707 1.00 0.00 N ATOM 49 CA SER A 6 -2.023 -11.600 -11.408 1.00 0.00 C ATOM 50 C SER A 6 -1.503 -10.600 -10.380 1.00 0.00 C ATOM 51 O SER A 6 -0.313 -10.577 -10.067 1.00 0.00 O ATOM 52 CB SER A 6 -1.761 -13.028 -10.925 1.00 0.00 C ATOM 53 OG SER A 6 -0.387 -13.357 -11.032 1.00 0.00 O ATOM 0 H SER A 6 -0.525 -11.889 -12.845 1.00 0.00 H new ATOM 0 HA SER A 6 -3.097 -11.454 -11.520 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.083 -13.130 -9.889 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.353 -13.729 -11.513 1.00 0.00 H new ATOM 0 HG SER A 6 0.156 -12.592 -10.748 1.00 0.00 H new ATOM 59 N GLY A 7 -2.404 -9.773 -9.858 1.00 0.00 N ATOM 60 CA GLY A 7 -2.018 -8.782 -8.872 1.00 0.00 C ATOM 61 C GLY A 7 -1.768 -7.419 -9.486 1.00 0.00 C ATOM 62 O GLY A 7 -2.340 -7.084 -10.523 1.00 0.00 O ATOM 0 H GLY A 7 -3.395 -9.772 -10.101 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.801 -8.699 -8.119 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.116 -9.117 -8.359 1.00 0.00 H new ATOM 66 N ARG A 8 -0.911 -6.631 -8.845 1.00 0.00 N ATOM 67 CA ARG A 8 -0.588 -5.296 -9.334 1.00 0.00 C ATOM 68 C ARG A 8 0.865 -4.942 -9.030 1.00 0.00 C ATOM 69 O ARG A 8 1.460 -5.474 -8.094 1.00 0.00 O ATOM 70 CB ARG A 8 -1.519 -4.259 -8.702 1.00 0.00 C ATOM 71 CG ARG A 8 -2.956 -4.735 -8.563 1.00 0.00 C ATOM 72 CD ARG A 8 -3.850 -3.648 -7.988 1.00 0.00 C ATOM 73 NE ARG A 8 -5.241 -3.805 -8.406 1.00 0.00 N ATOM 74 CZ ARG A 8 -6.032 -4.782 -7.975 1.00 0.00 C ATOM 75 NH1 ARG A 8 -5.571 -5.683 -7.118 1.00 0.00 N ATOM 76 NH2 ARG A 8 -7.286 -4.858 -8.401 1.00 0.00 N ATOM 0 H ARG A 8 -0.428 -6.894 -7.986 1.00 0.00 H new ATOM 0 HA ARG A 8 -0.727 -5.289 -10.415 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -1.137 -3.992 -7.717 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -1.502 -3.352 -9.306 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -3.335 -5.041 -9.538 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -2.989 -5.613 -7.918 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -3.794 -3.671 -6.900 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -3.484 -2.672 -8.306 1.00 0.00 H new ATOM 0 HE ARG A 8 -5.626 -3.128 -9.065 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -4.607 -5.627 -6.788 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -6.180 -6.432 -6.789 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -7.644 -4.166 -9.060 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -7.893 -5.608 -8.070 1.00 0.00 H new ATOM 90 N MET A 9 1.429 -4.042 -9.829 1.00 0.00 N ATOM 91 CA MET A 9 2.812 -3.618 -9.645 1.00 0.00 C ATOM 92 C MET A 9 2.926 -2.098 -9.703 1.00 0.00 C ATOM 93 O MET A 9 2.982 -1.510 -10.783 1.00 0.00 O ATOM 94 CB MET A 9 3.708 -4.249 -10.712 1.00 0.00 C ATOM 95 CG MET A 9 4.273 -5.601 -10.309 1.00 0.00 C ATOM 96 SD MET A 9 5.849 -5.962 -11.107 1.00 0.00 S ATOM 97 CE MET A 9 6.564 -7.115 -9.938 1.00 0.00 C ATOM 0 H MET A 9 0.950 -3.593 -10.609 1.00 0.00 H new ATOM 0 HA MET A 9 3.141 -3.953 -8.661 1.00 0.00 H new ATOM 0 HB2 MET A 9 3.137 -4.363 -11.633 1.00 0.00 H new ATOM 0 HB3 MET A 9 4.532 -3.570 -10.930 1.00 0.00 H new ATOM 0 HG2 MET A 9 4.404 -5.628 -9.227 1.00 0.00 H new ATOM 0 HG3 MET A 9 3.555 -6.381 -10.563 1.00 0.00 H new ATOM 0 HE1 MET A 9 7.648 -7.119 -10.048 1.00 0.00 H new ATOM 0 HE2 MET A 9 6.303 -6.813 -8.924 1.00 0.00 H new ATOM 0 HE3 MET A 9 6.176 -8.115 -10.130 1.00 0.00 H new ATOM 107 N VAL A 10 2.959 -1.466 -8.534 1.00 0.00 N ATOM 108 CA VAL A 10 3.067 -0.014 -8.452 1.00 0.00 C ATOM 109 C VAL A 10 4.510 0.416 -8.214 1.00 0.00 C ATOM 110 O VAL A 10 5.135 0.016 -7.233 1.00 0.00 O ATOM 111 CB VAL A 10 2.182 0.552 -7.326 1.00 0.00 C ATOM 112 CG1 VAL A 10 2.160 2.072 -7.376 1.00 0.00 C ATOM 113 CG2 VAL A 10 0.773 -0.013 -7.422 1.00 0.00 C ATOM 0 H VAL A 10 2.912 -1.937 -7.630 1.00 0.00 H new ATOM 0 HA VAL A 10 2.725 0.384 -9.407 1.00 0.00 H new ATOM 0 HB VAL A 10 2.606 0.250 -6.368 1.00 0.00 H new ATOM 0 HG11 VAL A 10 1.530 2.453 -6.573 1.00 0.00 H new ATOM 0 HG12 VAL A 10 3.173 2.455 -7.255 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.761 2.399 -8.336 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.161 0.397 -6.619 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.338 0.257 -8.384 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.809 -1.099 -7.332 1.00 0.00 H new ATOM 123 N GLY A 11 5.034 1.236 -9.120 1.00 0.00 N ATOM 124 CA GLY A 11 6.400 1.709 -8.991 1.00 0.00 C ATOM 125 C GLY A 11 6.474 3.152 -8.533 1.00 0.00 C ATOM 126 O GLY A 11 5.737 4.005 -9.027 1.00 0.00 O ATOM 0 H GLY A 11 4.537 1.581 -9.941 1.00 0.00 H new ATOM 0 HA2 GLY A 11 6.934 1.078 -8.281 1.00 0.00 H new ATOM 0 HA3 GLY A 11 6.908 1.609 -9.950 1.00 0.00 H new ATOM 130 N ILE A 12 7.363 3.425 -7.584 1.00 0.00 N ATOM 131 CA ILE A 12 7.529 4.775 -7.059 1.00 0.00 C ATOM 132 C ILE A 12 8.975 5.241 -7.188 1.00 0.00 C ATOM 133 O ILE A 12 9.909 4.469 -6.971 1.00 0.00 O ATOM 134 CB ILE A 12 7.104 4.860 -5.581 1.00 0.00 C ATOM 135 CG1 ILE A 12 5.666 4.364 -5.412 1.00 0.00 C ATOM 136 CG2 ILE A 12 7.241 6.288 -5.073 1.00 0.00 C ATOM 137 CD1 ILE A 12 5.566 2.874 -5.173 1.00 0.00 C ATOM 0 H ILE A 12 7.979 2.730 -7.163 1.00 0.00 H new ATOM 0 HA ILE A 12 6.886 5.426 -7.652 1.00 0.00 H new ATOM 0 HB ILE A 12 7.760 4.220 -4.991 1.00 0.00 H new ATOM 0 HG12 ILE A 12 5.205 4.890 -4.576 1.00 0.00 H new ATOM 0 HG13 ILE A 12 5.095 4.620 -6.304 1.00 0.00 H new ATOM 0 HG21 ILE A 12 6.937 6.333 -4.027 1.00 0.00 H new ATOM 0 HG22 ILE A 12 8.279 6.608 -5.163 1.00 0.00 H new ATOM 0 HG23 ILE A 12 6.605 6.947 -5.664 1.00 0.00 H new ATOM 0 HD11 ILE A 12 4.519 2.593 -5.062 1.00 0.00 H new ATOM 0 HD12 ILE A 12 5.998 2.340 -6.019 1.00 0.00 H new ATOM 0 HD13 ILE A 12 6.109 2.614 -4.265 1.00 0.00 H new ATOM 149 N ARG A 13 9.153 6.510 -7.541 1.00 0.00 N ATOM 150 CA ARG A 13 10.486 7.080 -7.698 1.00 0.00 C ATOM 151 C ARG A 13 10.859 7.932 -6.488 1.00 0.00 C ATOM 152 O ARG A 13 11.416 9.021 -6.629 1.00 0.00 O ATOM 153 CB ARG A 13 10.555 7.926 -8.971 1.00 0.00 C ATOM 154 CG ARG A 13 9.699 9.180 -8.916 1.00 0.00 C ATOM 155 CD ARG A 13 9.347 9.676 -10.310 1.00 0.00 C ATOM 156 NE ARG A 13 10.513 10.206 -11.013 1.00 0.00 N ATOM 157 CZ ARG A 13 10.452 10.778 -12.210 1.00 0.00 C ATOM 158 NH1 ARG A 13 9.288 10.893 -12.835 1.00 0.00 N ATOM 159 NH2 ARG A 13 11.556 11.236 -12.785 1.00 0.00 N ATOM 0 H ARG A 13 8.391 7.163 -7.724 1.00 0.00 H new ATOM 0 HA ARG A 13 11.198 6.259 -7.776 1.00 0.00 H new ATOM 0 HB2 ARG A 13 11.591 8.211 -9.152 1.00 0.00 H new ATOM 0 HB3 ARG A 13 10.239 7.318 -9.819 1.00 0.00 H new ATOM 0 HG2 ARG A 13 8.784 8.973 -8.360 1.00 0.00 H new ATOM 0 HG3 ARG A 13 10.231 9.962 -8.374 1.00 0.00 H new ATOM 0 HD2 ARG A 13 8.916 8.858 -10.888 1.00 0.00 H new ATOM 0 HD3 ARG A 13 8.584 10.451 -10.237 1.00 0.00 H new ATOM 0 HE ARG A 13 11.424 10.133 -10.560 1.00 0.00 H new ATOM 0 HH11 ARG A 13 8.437 10.542 -12.396 1.00 0.00 H new ATOM 0 HH12 ARG A 13 9.244 11.333 -13.754 1.00 0.00 H new ATOM 0 HH21 ARG A 13 12.453 11.149 -12.308 1.00 0.00 H new ATOM 0 HH22 ARG A 13 11.508 11.675 -13.704 1.00 0.00 H new ATOM 173 N LYS A 14 10.548 7.428 -5.298 1.00 0.00 N ATOM 174 CA LYS A 14 10.851 8.141 -4.062 1.00 0.00 C ATOM 175 C LYS A 14 12.356 8.317 -3.891 1.00 0.00 C ATOM 176 O LYS A 14 13.139 7.943 -4.764 1.00 0.00 O ATOM 177 CB LYS A 14 10.275 7.388 -2.861 1.00 0.00 C ATOM 178 CG LYS A 14 10.848 5.992 -2.686 1.00 0.00 C ATOM 179 CD LYS A 14 9.943 5.120 -1.832 1.00 0.00 C ATOM 180 CE LYS A 14 10.019 5.509 -0.363 1.00 0.00 C ATOM 181 NZ LYS A 14 9.765 4.347 0.532 1.00 0.00 N ATOM 0 H LYS A 14 10.086 6.529 -5.163 1.00 0.00 H new ATOM 0 HA LYS A 14 10.392 9.128 -4.119 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.464 7.965 -1.956 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.193 7.316 -2.973 1.00 0.00 H new ATOM 0 HG2 LYS A 14 10.984 5.529 -3.663 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.833 6.057 -2.224 1.00 0.00 H new ATOM 0 HD2 LYS A 14 8.914 5.210 -2.181 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.228 4.074 -1.948 1.00 0.00 H new ATOM 0 HE2 LYS A 14 11.003 5.925 -0.148 1.00 0.00 H new ATOM 0 HE3 LYS A 14 9.290 6.293 -0.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 9.299 4.674 1.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 9.150 3.663 0.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 10.668 3.891 0.773 1.00 0.00 H new ATOM 195 N THR A 15 12.755 8.889 -2.759 1.00 0.00 N ATOM 196 CA THR A 15 14.166 9.114 -2.473 1.00 0.00 C ATOM 197 C THR A 15 14.538 8.590 -1.090 1.00 0.00 C ATOM 198 O THR A 15 13.742 8.663 -0.154 1.00 0.00 O ATOM 199 CB THR A 15 14.524 10.610 -2.556 1.00 0.00 C ATOM 200 OG1 THR A 15 13.995 11.175 -3.761 1.00 0.00 O ATOM 201 CG2 THR A 15 16.032 10.809 -2.516 1.00 0.00 C ATOM 0 H THR A 15 12.120 9.205 -2.026 1.00 0.00 H new ATOM 0 HA THR A 15 14.732 8.570 -3.229 1.00 0.00 H new ATOM 0 HB THR A 15 14.084 11.114 -1.696 1.00 0.00 H new ATOM 0 HG1 THR A 15 14.226 12.126 -3.805 1.00 0.00 H new ATOM 0 HG21 THR A 15 16.260 11.873 -2.576 1.00 0.00 H new ATOM 0 HG22 THR A 15 16.428 10.405 -1.584 1.00 0.00 H new ATOM 0 HG23 THR A 15 16.490 10.292 -3.359 1.00 0.00 H new ATOM 209 N ALA A 16 15.752 8.063 -0.969 1.00 0.00 N ATOM 210 CA ALA A 16 16.229 7.530 0.301 1.00 0.00 C ATOM 211 C ALA A 16 15.875 8.460 1.455 1.00 0.00 C ATOM 212 O ALA A 16 16.519 9.489 1.656 1.00 0.00 O ATOM 213 CB ALA A 16 17.733 7.302 0.246 1.00 0.00 C ATOM 0 H ALA A 16 16.423 7.994 -1.734 1.00 0.00 H new ATOM 0 HA ALA A 16 15.734 6.575 0.475 1.00 0.00 H new ATOM 0 HB1 ALA A 16 18.076 6.904 1.201 1.00 0.00 H new ATOM 0 HB2 ALA A 16 17.965 6.591 -0.548 1.00 0.00 H new ATOM 0 HB3 ALA A 16 18.237 8.247 0.045 1.00 0.00 H new ATOM 219 N GLY A 17 14.846 8.092 2.212 1.00 0.00 N ATOM 220 CA GLY A 17 14.423 8.906 3.337 1.00 0.00 C ATOM 221 C GLY A 17 13.027 9.467 3.155 1.00 0.00 C ATOM 222 O GLY A 17 12.736 10.579 3.595 1.00 0.00 O ATOM 0 H GLY A 17 14.297 7.244 2.066 1.00 0.00 H new ATOM 0 HA2 GLY A 17 14.455 8.307 4.247 1.00 0.00 H new ATOM 0 HA3 GLY A 17 15.127 9.728 3.472 1.00 0.00 H new ATOM 226 N GLU A 18 12.162 8.697 2.503 1.00 0.00 N ATOM 227 CA GLU A 18 10.789 9.126 2.261 1.00 0.00 C ATOM 228 C GLU A 18 9.797 8.072 2.743 1.00 0.00 C ATOM 229 O GLU A 18 9.652 7.013 2.131 1.00 0.00 O ATOM 230 CB GLU A 18 10.572 9.403 0.772 1.00 0.00 C ATOM 231 CG GLU A 18 11.162 10.724 0.307 1.00 0.00 C ATOM 232 CD GLU A 18 10.493 11.921 0.955 1.00 0.00 C ATOM 233 OE1 GLU A 18 9.264 11.872 1.168 1.00 0.00 O ATOM 234 OE2 GLU A 18 11.201 12.908 1.248 1.00 0.00 O ATOM 0 H GLU A 18 12.387 7.774 2.133 1.00 0.00 H new ATOM 0 HA GLU A 18 10.619 10.045 2.822 1.00 0.00 H new ATOM 0 HB2 GLU A 18 11.014 8.593 0.192 1.00 0.00 H new ATOM 0 HB3 GLU A 18 9.502 9.398 0.562 1.00 0.00 H new ATOM 0 HG2 GLU A 18 12.228 10.741 0.533 1.00 0.00 H new ATOM 0 HG3 GLU A 18 11.065 10.800 -0.776 1.00 0.00 H new ATOM 241 N HIS A 19 9.116 8.369 3.846 1.00 0.00 N ATOM 242 CA HIS A 19 8.136 7.447 4.411 1.00 0.00 C ATOM 243 C HIS A 19 6.845 7.461 3.598 1.00 0.00 C ATOM 244 O HIS A 19 6.415 8.508 3.114 1.00 0.00 O ATOM 245 CB HIS A 19 7.841 7.813 5.866 1.00 0.00 C ATOM 246 CG HIS A 19 7.449 6.640 6.711 1.00 0.00 C ATOM 247 ND1 HIS A 19 6.257 6.299 7.253 1.00 0.00 N flip ATOM 248 CD2 HIS A 19 8.337 5.655 7.088 1.00 0.00 C flip ATOM 249 CE1 HIS A 19 6.444 5.125 7.941 1.00 0.00 C flip ATOM 250 NE2 HIS A 19 7.707 4.757 7.825 1.00 0.00 N flip ATOM 0 H HIS A 19 9.225 9.240 4.366 1.00 0.00 H new ATOM 0 HA HIS A 19 8.556 6.442 4.375 1.00 0.00 H new ATOM 0 HB2 HIS A 19 8.723 8.284 6.300 1.00 0.00 H new ATOM 0 HB3 HIS A 19 7.040 8.552 5.891 1.00 0.00 H new ATOM 0 HD2 HIS A 19 9.383 5.622 6.823 1.00 0.00 H new ATOM 0 HE1 HIS A 19 5.682 4.590 8.488 1.00 0.00 H new ATOM 0 HE2 HIS A 19 8.125 3.922 8.235 1.00 0.00 H new ATOM 259 N LEU A 20 6.232 6.291 3.451 1.00 0.00 N ATOM 260 CA LEU A 20 4.990 6.168 2.696 1.00 0.00 C ATOM 261 C LEU A 20 3.825 6.790 3.459 1.00 0.00 C ATOM 262 O LEU A 20 3.108 7.639 2.933 1.00 0.00 O ATOM 263 CB LEU A 20 4.694 4.697 2.401 1.00 0.00 C ATOM 264 CG LEU A 20 5.344 4.121 1.142 1.00 0.00 C ATOM 265 CD1 LEU A 20 4.747 4.755 -0.105 1.00 0.00 C ATOM 266 CD2 LEU A 20 6.851 4.327 1.178 1.00 0.00 C ATOM 0 H LEU A 20 6.575 5.415 3.845 1.00 0.00 H new ATOM 0 HA LEU A 20 5.111 6.704 1.755 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.017 4.104 3.256 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.614 4.574 2.317 1.00 0.00 H new ATOM 0 HG LEU A 20 5.144 3.050 1.111 1.00 0.00 H new ATOM 0 HD11 LEU A 20 5.222 4.333 -0.991 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.676 4.555 -0.137 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.915 5.832 -0.082 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.297 3.911 0.274 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.071 5.393 1.234 1.00 0.00 H new ATOM 0 HD23 LEU A 20 7.266 3.825 2.052 1.00 0.00 H new ATOM 278 N GLY A 21 3.644 6.361 4.705 1.00 0.00 N ATOM 279 CA GLY A 21 2.566 6.888 5.521 1.00 0.00 C ATOM 280 C GLY A 21 1.329 6.013 5.484 1.00 0.00 C ATOM 281 O GLY A 21 0.260 6.454 5.060 1.00 0.00 O ATOM 0 H GLY A 21 4.224 5.658 5.163 1.00 0.00 H new ATOM 0 HA2 GLY A 21 2.908 6.984 6.551 1.00 0.00 H new ATOM 0 HA3 GLY A 21 2.309 7.889 5.175 1.00 0.00 H new ATOM 285 N VAL A 22 1.473 4.767 5.926 1.00 0.00 N ATOM 286 CA VAL A 22 0.359 3.827 5.940 1.00 0.00 C ATOM 287 C VAL A 22 0.519 2.802 7.057 1.00 0.00 C ATOM 288 O VAL A 22 1.636 2.471 7.456 1.00 0.00 O ATOM 289 CB VAL A 22 0.231 3.088 4.595 1.00 0.00 C ATOM 290 CG1 VAL A 22 -0.152 4.058 3.487 1.00 0.00 C ATOM 291 CG2 VAL A 22 1.526 2.366 4.258 1.00 0.00 C ATOM 0 H VAL A 22 2.351 4.386 6.279 1.00 0.00 H new ATOM 0 HA VAL A 22 -0.545 4.411 6.113 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.560 2.344 4.684 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.238 3.518 2.544 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.108 4.525 3.726 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.615 4.827 3.396 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.417 1.849 3.304 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.338 3.089 4.188 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.752 1.641 5.040 1.00 0.00 H new ATOM 301 N THR A 23 -0.605 2.301 7.559 1.00 0.00 N ATOM 302 CA THR A 23 -0.591 1.314 8.631 1.00 0.00 C ATOM 303 C THR A 23 -1.136 -0.027 8.151 1.00 0.00 C ATOM 304 O THR A 23 -2.275 -0.116 7.693 1.00 0.00 O ATOM 305 CB THR A 23 -1.416 1.787 9.842 1.00 0.00 C ATOM 306 OG1 THR A 23 -2.500 2.614 9.403 1.00 0.00 O ATOM 307 CG2 THR A 23 -0.545 2.560 10.821 1.00 0.00 C ATOM 0 H THR A 23 -1.538 2.563 7.240 1.00 0.00 H new ATOM 0 HA THR A 23 0.449 1.193 8.935 1.00 0.00 H new ATOM 0 HB THR A 23 -1.813 0.908 10.350 1.00 0.00 H new ATOM 0 HG1 THR A 23 -2.611 3.365 10.023 1.00 0.00 H new ATOM 0 HG21 THR A 23 -1.149 2.884 11.668 1.00 0.00 H new ATOM 0 HG22 THR A 23 0.262 1.918 11.175 1.00 0.00 H new ATOM 0 HG23 THR A 23 -0.123 3.432 10.322 1.00 0.00 H new ATOM 315 N PHE A 24 -0.316 -1.067 8.260 1.00 0.00 N ATOM 316 CA PHE A 24 -0.717 -2.403 7.836 1.00 0.00 C ATOM 317 C PHE A 24 -1.120 -3.256 9.036 1.00 0.00 C ATOM 318 O PHE A 24 -0.493 -3.195 10.094 1.00 0.00 O ATOM 319 CB PHE A 24 0.423 -3.083 7.074 1.00 0.00 C ATOM 320 CG PHE A 24 0.969 -2.253 5.948 1.00 0.00 C ATOM 321 CD1 PHE A 24 0.404 -2.320 4.684 1.00 0.00 C ATOM 322 CD2 PHE A 24 2.046 -1.407 6.152 1.00 0.00 C ATOM 323 CE1 PHE A 24 0.905 -1.558 3.645 1.00 0.00 C ATOM 324 CE2 PHE A 24 2.552 -0.642 5.117 1.00 0.00 C ATOM 325 CZ PHE A 24 1.979 -0.717 3.862 1.00 0.00 C ATOM 0 H PHE A 24 0.630 -1.010 8.638 1.00 0.00 H new ATOM 0 HA PHE A 24 -1.579 -2.304 7.176 1.00 0.00 H new ATOM 0 HB2 PHE A 24 1.230 -3.312 7.771 1.00 0.00 H new ATOM 0 HB3 PHE A 24 0.067 -4.033 6.675 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -0.437 -2.975 4.509 1.00 0.00 H new ATOM 0 HD2 PHE A 24 2.496 -1.344 7.132 1.00 0.00 H new ATOM 0 HE1 PHE A 24 0.457 -1.620 2.664 1.00 0.00 H new ATOM 0 HE2 PHE A 24 3.393 0.013 5.289 1.00 0.00 H new ATOM 0 HZ PHE A 24 2.370 -0.119 3.052 1.00 0.00 H new ATOM 335 N ARG A 25 -2.173 -4.049 8.864 1.00 0.00 N ATOM 336 CA ARG A 25 -2.662 -4.912 9.932 1.00 0.00 C ATOM 337 C ARG A 25 -2.554 -6.382 9.535 1.00 0.00 C ATOM 338 O ARG A 25 -2.681 -6.730 8.361 1.00 0.00 O ATOM 339 CB ARG A 25 -4.114 -4.569 10.269 1.00 0.00 C ATOM 340 CG ARG A 25 -5.063 -4.714 9.090 1.00 0.00 C ATOM 341 CD ARG A 25 -6.516 -4.617 9.530 1.00 0.00 C ATOM 342 NE ARG A 25 -6.776 -3.401 10.297 1.00 0.00 N ATOM 343 CZ ARG A 25 -7.982 -2.864 10.435 1.00 0.00 C ATOM 344 NH1 ARG A 25 -9.034 -3.431 9.861 1.00 0.00 N ATOM 345 NH2 ARG A 25 -8.138 -1.756 11.148 1.00 0.00 N ATOM 0 H ARG A 25 -2.704 -4.111 7.995 1.00 0.00 H new ATOM 0 HA ARG A 25 -2.043 -4.745 10.813 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -4.453 -5.215 11.079 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.160 -3.544 10.638 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -4.852 -3.938 8.354 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.893 -5.673 8.600 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -7.163 -4.637 8.653 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.771 -5.488 10.134 1.00 0.00 H new ATOM 0 HE ARG A 25 -5.988 -2.940 10.751 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -8.918 -4.282 9.311 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -9.959 -3.016 9.969 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -7.331 -1.316 11.590 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -9.065 -1.344 11.254 1.00 0.00 H new ATOM 359 N VAL A 26 -2.318 -7.240 10.523 1.00 0.00 N ATOM 360 CA VAL A 26 -2.193 -8.672 10.278 1.00 0.00 C ATOM 361 C VAL A 26 -3.493 -9.400 10.601 1.00 0.00 C ATOM 362 O VAL A 26 -3.810 -9.636 11.767 1.00 0.00 O ATOM 363 CB VAL A 26 -1.053 -9.287 11.111 1.00 0.00 C ATOM 364 CG1 VAL A 26 -0.928 -10.776 10.828 1.00 0.00 C ATOM 365 CG2 VAL A 26 0.259 -8.570 10.827 1.00 0.00 C ATOM 0 H VAL A 26 -2.210 -6.968 11.500 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.965 -8.793 9.219 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.289 -9.161 12.168 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -0.117 -11.193 11.426 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.862 -11.275 11.085 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.714 -10.929 9.770 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.054 -9.017 11.424 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.503 -8.663 9.769 1.00 0.00 H new ATOM 0 HG23 VAL A 26 0.161 -7.516 11.085 1.00 0.00 H new ATOM 375 N GLU A 27 -4.242 -9.753 9.561 1.00 0.00 N ATOM 376 CA GLU A 27 -5.508 -10.455 9.735 1.00 0.00 C ATOM 377 C GLU A 27 -5.527 -11.752 8.931 1.00 0.00 C ATOM 378 O GLU A 27 -5.317 -11.746 7.719 1.00 0.00 O ATOM 379 CB GLU A 27 -6.675 -9.561 9.310 1.00 0.00 C ATOM 380 CG GLU A 27 -6.617 -9.138 7.851 1.00 0.00 C ATOM 381 CD GLU A 27 -7.398 -7.867 7.581 1.00 0.00 C ATOM 382 OE1 GLU A 27 -8.634 -7.881 7.753 1.00 0.00 O ATOM 383 OE2 GLU A 27 -6.771 -6.857 7.197 1.00 0.00 O ATOM 0 H GLU A 27 -3.994 -9.564 8.590 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.615 -10.702 10.791 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.611 -10.090 9.489 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.687 -8.670 9.938 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -5.577 -8.990 7.561 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -7.010 -9.941 7.228 1.00 0.00 H new ATOM 390 N GLY A 28 -5.781 -12.863 9.616 1.00 0.00 N ATOM 391 CA GLY A 28 -5.822 -14.151 8.951 1.00 0.00 C ATOM 392 C GLY A 28 -4.439 -14.720 8.703 1.00 0.00 C ATOM 393 O GLY A 28 -4.208 -15.914 8.891 1.00 0.00 O ATOM 0 H GLY A 28 -5.959 -12.893 10.620 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -6.396 -14.851 9.557 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -6.345 -14.049 8.000 1.00 0.00 H new ATOM 397 N GLY A 29 -3.516 -13.864 8.277 1.00 0.00 N ATOM 398 CA GLY A 29 -2.160 -14.307 8.008 1.00 0.00 C ATOM 399 C GLY A 29 -1.529 -13.568 6.845 1.00 0.00 C ATOM 400 O GLY A 29 -0.731 -14.136 6.100 1.00 0.00 O ATOM 0 H GLY A 29 -3.683 -12.871 8.113 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.550 -14.163 8.900 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -2.166 -15.376 7.795 1.00 0.00 H new ATOM 404 N GLU A 30 -1.888 -12.298 6.687 1.00 0.00 N ATOM 405 CA GLU A 30 -1.352 -11.482 5.604 1.00 0.00 C ATOM 406 C GLU A 30 -1.292 -10.011 6.009 1.00 0.00 C ATOM 407 O GLU A 30 -1.858 -9.613 7.028 1.00 0.00 O ATOM 408 CB GLU A 30 -2.207 -11.640 4.345 1.00 0.00 C ATOM 409 CG GLU A 30 -3.699 -11.506 4.601 1.00 0.00 C ATOM 410 CD GLU A 30 -4.350 -12.826 4.964 1.00 0.00 C ATOM 411 OE1 GLU A 30 -3.614 -13.809 5.191 1.00 0.00 O ATOM 412 OE2 GLU A 30 -5.596 -12.876 5.022 1.00 0.00 O ATOM 0 H GLU A 30 -2.547 -11.812 7.295 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.339 -11.825 5.393 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.904 -10.891 3.614 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.009 -12.616 3.902 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.863 -10.791 5.407 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.181 -11.100 3.712 1.00 0.00 H new ATOM 419 N LEU A 31 -0.602 -9.210 5.205 1.00 0.00 N ATOM 420 CA LEU A 31 -0.466 -7.784 5.479 1.00 0.00 C ATOM 421 C LEU A 31 -1.448 -6.973 4.640 1.00 0.00 C ATOM 422 O LEU A 31 -1.337 -6.918 3.415 1.00 0.00 O ATOM 423 CB LEU A 31 0.965 -7.324 5.196 1.00 0.00 C ATOM 424 CG LEU A 31 1.948 -7.432 6.363 1.00 0.00 C ATOM 425 CD1 LEU A 31 3.292 -6.829 5.986 1.00 0.00 C ATOM 426 CD2 LEU A 31 1.383 -6.750 7.600 1.00 0.00 C ATOM 0 H LEU A 31 -0.128 -9.524 4.358 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.692 -7.618 6.532 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.355 -7.909 4.363 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.933 -6.285 4.869 1.00 0.00 H new ATOM 0 HG LEU A 31 2.098 -8.487 6.591 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.978 -6.915 6.828 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.702 -7.362 5.128 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.160 -5.777 5.731 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.095 -6.836 8.421 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.204 -5.697 7.385 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.445 -7.228 7.882 1.00 0.00 H new ATOM 438 N VAL A 32 -2.409 -6.342 5.307 1.00 0.00 N ATOM 439 CA VAL A 32 -3.409 -5.530 4.624 1.00 0.00 C ATOM 440 C VAL A 32 -3.402 -4.097 5.143 1.00 0.00 C ATOM 441 O VAL A 32 -3.369 -3.864 6.352 1.00 0.00 O ATOM 442 CB VAL A 32 -4.822 -6.119 4.794 1.00 0.00 C ATOM 443 CG1 VAL A 32 -5.769 -5.545 3.752 1.00 0.00 C ATOM 444 CG2 VAL A 32 -4.780 -7.637 4.709 1.00 0.00 C ATOM 0 H VAL A 32 -2.516 -6.378 6.321 1.00 0.00 H new ATOM 0 HA VAL A 32 -3.148 -5.531 3.566 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.195 -5.843 5.780 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.762 -5.973 3.888 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.822 -4.462 3.865 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.403 -5.788 2.754 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.787 -8.036 4.831 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.386 -7.936 3.738 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -4.137 -8.028 5.497 1.00 0.00 H new ATOM 454 N ILE A 33 -3.433 -3.140 4.222 1.00 0.00 N ATOM 455 CA ILE A 33 -3.432 -1.728 4.587 1.00 0.00 C ATOM 456 C ILE A 33 -4.706 -1.353 5.336 1.00 0.00 C ATOM 457 O ILE A 33 -5.788 -1.297 4.751 1.00 0.00 O ATOM 458 CB ILE A 33 -3.294 -0.826 3.347 1.00 0.00 C ATOM 459 CG1 ILE A 33 -1.899 -0.972 2.735 1.00 0.00 C ATOM 460 CG2 ILE A 33 -3.568 0.625 3.714 1.00 0.00 C ATOM 461 CD1 ILE A 33 -1.788 -0.401 1.339 1.00 0.00 C ATOM 0 H ILE A 33 -3.459 -3.316 3.218 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.572 -1.571 5.237 1.00 0.00 H new ATOM 0 HB ILE A 33 -4.030 -1.138 2.606 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.174 -0.475 3.380 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -1.631 -2.028 2.709 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.466 1.250 2.827 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.580 0.716 4.108 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.854 0.950 4.471 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.772 -0.540 0.969 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -2.488 -0.914 0.679 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.024 0.663 1.361 1.00 0.00 H new ATOM 473 N ALA A 34 -4.570 -1.095 6.632 1.00 0.00 N ATOM 474 CA ALA A 34 -5.710 -0.721 7.460 1.00 0.00 C ATOM 475 C ALA A 34 -6.064 0.750 7.274 1.00 0.00 C ATOM 476 O ALA A 34 -7.213 1.091 6.992 1.00 0.00 O ATOM 477 CB ALA A 34 -5.417 -1.014 8.924 1.00 0.00 C ATOM 0 H ALA A 34 -3.682 -1.138 7.132 1.00 0.00 H new ATOM 0 HA ALA A 34 -6.567 -1.317 7.146 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.277 -0.730 9.531 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -5.220 -2.079 9.050 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -4.544 -0.444 9.242 1.00 0.00 H new ATOM 483 N ARG A 35 -5.071 1.619 7.434 1.00 0.00 N ATOM 484 CA ARG A 35 -5.279 3.054 7.285 1.00 0.00 C ATOM 485 C ARG A 35 -4.156 3.684 6.467 1.00 0.00 C ATOM 486 O ARG A 35 -3.075 3.110 6.333 1.00 0.00 O ATOM 487 CB ARG A 35 -5.362 3.724 8.658 1.00 0.00 C ATOM 488 CG ARG A 35 -5.046 5.210 8.631 1.00 0.00 C ATOM 489 CD ARG A 35 -4.983 5.792 10.034 1.00 0.00 C ATOM 490 NE ARG A 35 -5.198 7.237 10.038 1.00 0.00 N ATOM 491 CZ ARG A 35 -5.148 7.984 11.135 1.00 0.00 C ATOM 492 NH1 ARG A 35 -4.891 7.427 12.310 1.00 0.00 N ATOM 493 NH2 ARG A 35 -5.355 9.293 11.057 1.00 0.00 N ATOM 0 H ARG A 35 -4.114 1.354 7.667 1.00 0.00 H new ATOM 0 HA ARG A 35 -6.220 3.206 6.756 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -6.364 3.582 9.062 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -4.670 3.226 9.338 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -4.094 5.371 8.126 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -5.806 5.734 8.052 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -5.736 5.312 10.660 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -4.012 5.569 10.476 1.00 0.00 H new ATOM 0 HE ARG A 35 -5.397 7.697 9.150 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -4.731 6.422 12.374 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -4.853 8.004 13.150 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -5.553 9.725 10.154 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -5.317 9.867 11.900 1.00 0.00 H new ATOM 507 N ILE A 36 -4.419 4.867 5.922 1.00 0.00 N ATOM 508 CA ILE A 36 -3.431 5.575 5.118 1.00 0.00 C ATOM 509 C ILE A 36 -3.248 7.007 5.608 1.00 0.00 C ATOM 510 O ILE A 36 -4.048 7.889 5.294 1.00 0.00 O ATOM 511 CB ILE A 36 -3.828 5.600 3.631 1.00 0.00 C ATOM 512 CG1 ILE A 36 -3.691 4.203 3.020 1.00 0.00 C ATOM 513 CG2 ILE A 36 -2.973 6.602 2.871 1.00 0.00 C ATOM 514 CD1 ILE A 36 -4.664 3.939 1.893 1.00 0.00 C ATOM 0 H ILE A 36 -5.309 5.355 6.023 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.491 5.034 5.225 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.870 5.909 3.554 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.674 4.076 2.649 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.841 3.457 3.801 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.266 6.608 1.821 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.116 7.597 3.293 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -1.923 6.321 2.953 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -4.510 2.931 1.508 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.685 4.034 2.264 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.500 4.662 1.094 1.00 0.00 H new ATOM 526 N LEU A 37 -2.188 7.233 6.377 1.00 0.00 N ATOM 527 CA LEU A 37 -1.898 8.560 6.909 1.00 0.00 C ATOM 528 C LEU A 37 -2.097 9.630 5.841 1.00 0.00 C ATOM 529 O LEU A 37 -1.400 9.646 4.826 1.00 0.00 O ATOM 530 CB LEU A 37 -0.465 8.615 7.442 1.00 0.00 C ATOM 531 CG LEU A 37 -0.276 8.204 8.903 1.00 0.00 C ATOM 532 CD1 LEU A 37 -0.569 6.723 9.084 1.00 0.00 C ATOM 533 CD2 LEU A 37 1.135 8.532 9.371 1.00 0.00 C ATOM 0 H LEU A 37 -1.516 6.515 6.646 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.591 8.756 7.727 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.157 7.971 6.821 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.092 9.632 7.320 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.981 8.769 9.513 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.429 6.450 10.130 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.598 6.517 8.790 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.110 6.139 8.462 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.252 8.233 10.413 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.857 7.994 8.756 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.309 9.604 9.280 1.00 0.00 H new ATOM 545 N HIS A 38 -3.050 10.526 6.079 1.00 0.00 N ATOM 546 CA HIS A 38 -3.339 11.603 5.138 1.00 0.00 C ATOM 547 C HIS A 38 -2.158 12.563 5.033 1.00 0.00 C ATOM 548 O HIS A 38 -1.555 12.934 6.040 1.00 0.00 O ATOM 549 CB HIS A 38 -4.593 12.363 5.570 1.00 0.00 C ATOM 550 CG HIS A 38 -5.136 13.273 4.512 1.00 0.00 C ATOM 551 ND1 HIS A 38 -4.574 14.497 4.212 1.00 0.00 N ATOM 552 CD2 HIS A 38 -6.194 13.133 3.680 1.00 0.00 C ATOM 553 CE1 HIS A 38 -5.265 15.070 3.242 1.00 0.00 C ATOM 554 NE2 HIS A 38 -6.253 14.262 2.901 1.00 0.00 N ATOM 0 H HIS A 38 -3.635 10.528 6.915 1.00 0.00 H new ATOM 0 HA HIS A 38 -3.512 11.160 4.157 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -5.364 11.645 5.851 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -4.364 12.950 6.460 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -6.867 12.290 3.637 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -5.057 16.035 2.803 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -6.947 14.447 2.177 1.00 0.00 H new ATOM 563 N GLY A 39 -1.833 12.963 3.807 1.00 0.00 N ATOM 564 CA GLY A 39 -0.726 13.876 3.594 1.00 0.00 C ATOM 565 C GLY A 39 0.603 13.157 3.471 1.00 0.00 C ATOM 566 O GLY A 39 1.489 13.327 4.308 1.00 0.00 O ATOM 0 H GLY A 39 -2.317 12.671 2.958 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.907 14.456 2.689 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.678 14.583 4.422 1.00 0.00 H new ATOM 570 N GLY A 40 0.743 12.349 2.424 1.00 0.00 N ATOM 571 CA GLY A 40 1.975 11.612 2.215 1.00 0.00 C ATOM 572 C GLY A 40 2.172 11.212 0.766 1.00 0.00 C ATOM 573 O GLY A 40 2.056 12.041 -0.135 1.00 0.00 O ATOM 0 H GLY A 40 0.025 12.192 1.717 1.00 0.00 H new ATOM 0 HA2 GLY A 40 2.819 12.221 2.539 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.970 10.718 2.838 1.00 0.00 H new ATOM 577 N MET A 41 2.473 9.937 0.542 1.00 0.00 N ATOM 578 CA MET A 41 2.687 9.428 -0.807 1.00 0.00 C ATOM 579 C MET A 41 1.415 8.790 -1.356 1.00 0.00 C ATOM 580 O MET A 41 0.950 9.142 -2.440 1.00 0.00 O ATOM 581 CB MET A 41 3.828 8.409 -0.816 1.00 0.00 C ATOM 582 CG MET A 41 3.993 7.693 -2.147 1.00 0.00 C ATOM 583 SD MET A 41 4.903 8.675 -3.355 1.00 0.00 S ATOM 584 CE MET A 41 6.572 8.534 -2.719 1.00 0.00 C ATOM 0 H MET A 41 2.574 9.238 1.278 1.00 0.00 H new ATOM 0 HA MET A 41 2.956 10.269 -1.447 1.00 0.00 H new ATOM 0 HB2 MET A 41 4.760 8.917 -0.568 1.00 0.00 H new ATOM 0 HB3 MET A 41 3.650 7.670 -0.035 1.00 0.00 H new ATOM 0 HG2 MET A 41 4.514 6.749 -1.985 1.00 0.00 H new ATOM 0 HG3 MET A 41 3.009 7.450 -2.549 1.00 0.00 H new ATOM 0 HE1 MET A 41 7.283 8.610 -3.542 1.00 0.00 H new ATOM 0 HE2 MET A 41 6.758 9.335 -2.004 1.00 0.00 H new ATOM 0 HE3 MET A 41 6.692 7.571 -2.223 1.00 0.00 H new ATOM 594 N VAL A 42 0.857 7.849 -0.601 1.00 0.00 N ATOM 595 CA VAL A 42 -0.362 7.162 -1.012 1.00 0.00 C ATOM 596 C VAL A 42 -1.578 8.071 -0.872 1.00 0.00 C ATOM 597 O VAL A 42 -2.496 8.026 -1.691 1.00 0.00 O ATOM 598 CB VAL A 42 -0.592 5.884 -0.184 1.00 0.00 C ATOM 599 CG1 VAL A 42 -1.864 5.180 -0.631 1.00 0.00 C ATOM 600 CG2 VAL A 42 0.608 4.955 -0.295 1.00 0.00 C ATOM 0 H VAL A 42 1.230 7.545 0.298 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.234 6.889 -2.060 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.710 6.166 0.862 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -2.010 4.279 -0.035 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.716 5.847 -0.496 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.779 4.909 -1.683 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.429 4.057 0.296 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.759 4.679 -1.339 1.00 0.00 H new ATOM 0 HG23 VAL A 42 1.497 5.463 0.078 1.00 0.00 H new ATOM 610 N ALA A 43 -1.577 8.895 0.170 1.00 0.00 N ATOM 611 CA ALA A 43 -2.680 9.817 0.416 1.00 0.00 C ATOM 612 C ALA A 43 -2.931 10.708 -0.796 1.00 0.00 C ATOM 613 O ALA A 43 -4.073 11.053 -1.097 1.00 0.00 O ATOM 614 CB ALA A 43 -2.395 10.664 1.647 1.00 0.00 C ATOM 0 H ALA A 43 -0.825 8.943 0.858 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.580 9.229 0.594 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.226 11.348 1.819 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.273 10.016 2.515 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.481 11.237 1.491 1.00 0.00 H new ATOM 620 N GLN A 44 -1.856 11.077 -1.486 1.00 0.00 N ATOM 621 CA GLN A 44 -1.962 11.930 -2.664 1.00 0.00 C ATOM 622 C GLN A 44 -2.082 11.093 -3.933 1.00 0.00 C ATOM 623 O GLN A 44 -2.900 11.385 -4.805 1.00 0.00 O ATOM 624 CB GLN A 44 -0.746 12.853 -2.761 1.00 0.00 C ATOM 625 CG GLN A 44 -0.603 13.798 -1.579 1.00 0.00 C ATOM 626 CD GLN A 44 -1.571 14.964 -1.643 1.00 0.00 C ATOM 627 OE1 GLN A 44 -2.613 14.957 -0.987 1.00 0.00 O ATOM 628 NE2 GLN A 44 -1.230 15.973 -2.435 1.00 0.00 N ATOM 0 H GLN A 44 -0.903 10.799 -1.250 1.00 0.00 H new ATOM 0 HA GLN A 44 -2.863 12.536 -2.564 1.00 0.00 H new ATOM 0 HB2 GLN A 44 0.155 12.245 -2.841 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -0.817 13.439 -3.677 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -0.767 13.245 -0.654 1.00 0.00 H new ATOM 0 HG3 GLN A 44 0.418 14.179 -1.545 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -0.357 15.936 -2.960 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -1.841 16.785 -2.518 1.00 0.00 H new ATOM 637 N GLN A 45 -1.262 10.051 -4.029 1.00 0.00 N ATOM 638 CA GLN A 45 -1.276 9.173 -5.192 1.00 0.00 C ATOM 639 C GLN A 45 -2.389 8.136 -5.078 1.00 0.00 C ATOM 640 O GLN A 45 -2.538 7.482 -4.046 1.00 0.00 O ATOM 641 CB GLN A 45 0.075 8.473 -5.346 1.00 0.00 C ATOM 642 CG GLN A 45 1.265 9.409 -5.208 1.00 0.00 C ATOM 643 CD GLN A 45 1.665 10.043 -6.526 1.00 0.00 C ATOM 644 OE1 GLN A 45 0.976 10.924 -7.040 1.00 0.00 O ATOM 645 NE2 GLN A 45 2.786 9.596 -7.081 1.00 0.00 N ATOM 0 H GLN A 45 -0.580 9.795 -3.315 1.00 0.00 H new ATOM 0 HA GLN A 45 -1.463 9.785 -6.075 1.00 0.00 H new ATOM 0 HB2 GLN A 45 0.154 7.685 -4.597 1.00 0.00 H new ATOM 0 HB3 GLN A 45 0.115 7.989 -6.322 1.00 0.00 H new ATOM 0 HG2 GLN A 45 1.024 10.193 -4.490 1.00 0.00 H new ATOM 0 HG3 GLN A 45 2.113 8.856 -4.803 1.00 0.00 H new ATOM 0 HE21 GLN A 45 3.327 8.864 -6.620 1.00 0.00 H new ATOM 0 HE22 GLN A 45 3.106 9.985 -7.968 1.00 0.00 H new ATOM 654 N GLY A 46 -3.168 7.991 -6.145 1.00 0.00 N ATOM 655 CA GLY A 46 -4.258 7.032 -6.143 1.00 0.00 C ATOM 656 C GLY A 46 -3.802 5.635 -6.513 1.00 0.00 C ATOM 657 O GLY A 46 -4.499 4.915 -7.229 1.00 0.00 O ATOM 0 H GLY A 46 -3.064 8.520 -7.011 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -4.717 7.011 -5.155 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.026 7.358 -6.845 1.00 0.00 H new ATOM 661 N LEU A 47 -2.627 5.250 -6.026 1.00 0.00 N ATOM 662 CA LEU A 47 -2.077 3.929 -6.310 1.00 0.00 C ATOM 663 C LEU A 47 -2.701 2.872 -5.405 1.00 0.00 C ATOM 664 O LEU A 47 -3.437 1.999 -5.867 1.00 0.00 O ATOM 665 CB LEU A 47 -0.558 3.938 -6.130 1.00 0.00 C ATOM 666 CG LEU A 47 0.173 5.174 -6.657 1.00 0.00 C ATOM 667 CD1 LEU A 47 1.615 5.187 -6.175 1.00 0.00 C ATOM 668 CD2 LEU A 47 0.117 5.218 -8.178 1.00 0.00 C ATOM 0 H LEU A 47 -2.037 5.834 -5.433 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.313 3.680 -7.344 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.337 3.836 -5.067 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.148 3.059 -6.627 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.327 6.061 -6.268 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.119 6.073 -6.560 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.634 5.203 -5.085 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.127 4.294 -6.534 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.642 6.104 -8.536 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.592 4.325 -8.586 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.923 5.256 -8.503 1.00 0.00 H new ATOM 680 N LEU A 48 -2.405 2.958 -4.113 1.00 0.00 N ATOM 681 CA LEU A 48 -2.939 2.011 -3.141 1.00 0.00 C ATOM 682 C LEU A 48 -4.126 2.609 -2.392 1.00 0.00 C ATOM 683 O LEU A 48 -4.405 3.803 -2.502 1.00 0.00 O ATOM 684 CB LEU A 48 -1.850 1.599 -2.148 1.00 0.00 C ATOM 685 CG LEU A 48 -0.466 1.334 -2.742 1.00 0.00 C ATOM 686 CD1 LEU A 48 0.616 1.577 -1.702 1.00 0.00 C ATOM 687 CD2 LEU A 48 -0.381 -0.086 -3.283 1.00 0.00 C ATOM 0 H LEU A 48 -1.798 3.674 -3.714 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.282 1.129 -3.682 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.757 2.382 -1.396 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.180 0.698 -1.631 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.307 2.026 -3.569 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.594 1.384 -2.142 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.569 2.612 -1.363 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.462 0.910 -0.854 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.611 -0.257 -3.702 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.561 -0.795 -2.475 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.132 -0.225 -4.061 1.00 0.00 H new ATOM 699 N HIS A 49 -4.820 1.772 -1.628 1.00 0.00 N ATOM 700 CA HIS A 49 -5.975 2.219 -0.858 1.00 0.00 C ATOM 701 C HIS A 49 -6.328 1.208 0.229 1.00 0.00 C ATOM 702 O HIS A 49 -5.934 0.044 0.160 1.00 0.00 O ATOM 703 CB HIS A 49 -7.176 2.435 -1.779 1.00 0.00 C ATOM 704 CG HIS A 49 -8.006 1.205 -1.980 1.00 0.00 C ATOM 705 ND1 HIS A 49 -7.651 -0.099 -2.054 1.00 0.00 N flip ATOM 706 CD2 HIS A 49 -9.376 1.237 -2.135 1.00 0.00 C flip ATOM 707 CE1 HIS A 49 -8.802 -0.824 -2.249 1.00 0.00 C flip ATOM 708 NE2 HIS A 49 -9.828 0.006 -2.293 1.00 0.00 N flip ATOM 0 H HIS A 49 -4.603 0.781 -1.526 1.00 0.00 H new ATOM 0 HA HIS A 49 -5.718 3.165 -0.380 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -7.804 3.223 -1.364 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -6.822 2.786 -2.748 1.00 0.00 H new ATOM 0 HD1 HIS A 49 -6.705 -0.474 -1.979 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -9.984 2.129 -2.128 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -8.858 -1.898 -2.350 1.00 0.00 H new ATOM 717 N VAL A 50 -7.073 1.661 1.233 1.00 0.00 N ATOM 718 CA VAL A 50 -7.479 0.796 2.334 1.00 0.00 C ATOM 719 C VAL A 50 -8.032 -0.528 1.818 1.00 0.00 C ATOM 720 O VAL A 50 -9.127 -0.579 1.260 1.00 0.00 O ATOM 721 CB VAL A 50 -8.543 1.475 3.218 1.00 0.00 C ATOM 722 CG1 VAL A 50 -9.117 0.483 4.218 1.00 0.00 C ATOM 723 CG2 VAL A 50 -7.952 2.682 3.930 1.00 0.00 C ATOM 0 H VAL A 50 -7.407 2.622 1.306 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.588 0.605 2.932 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.355 1.821 2.579 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -9.867 0.980 4.834 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -9.579 -0.347 3.683 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -8.317 0.104 4.855 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.717 3.149 4.550 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -7.121 2.363 4.559 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.594 3.400 3.192 1.00 0.00 H new ATOM 733 N GLY A 51 -7.267 -1.598 2.010 1.00 0.00 N ATOM 734 CA GLY A 51 -7.697 -2.908 1.558 1.00 0.00 C ATOM 735 C GLY A 51 -6.797 -3.473 0.477 1.00 0.00 C ATOM 736 O GLY A 51 -7.276 -4.060 -0.494 1.00 0.00 O ATOM 0 H GLY A 51 -6.357 -1.581 2.471 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -7.716 -3.593 2.406 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -8.717 -2.841 1.179 1.00 0.00 H new ATOM 740 N ASP A 52 -5.492 -3.294 0.643 1.00 0.00 N ATOM 741 CA ASP A 52 -4.522 -3.790 -0.328 1.00 0.00 C ATOM 742 C ASP A 52 -3.585 -4.809 0.313 1.00 0.00 C ATOM 743 O ASP A 52 -2.914 -4.513 1.302 1.00 0.00 O ATOM 744 CB ASP A 52 -3.714 -2.630 -0.911 1.00 0.00 C ATOM 745 CG ASP A 52 -4.366 -2.032 -2.142 1.00 0.00 C ATOM 746 OD1 ASP A 52 -5.544 -2.353 -2.405 1.00 0.00 O ATOM 747 OD2 ASP A 52 -3.698 -1.243 -2.844 1.00 0.00 O ATOM 0 H ASP A 52 -5.080 -2.809 1.440 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.068 -4.282 -1.133 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -3.597 -1.856 -0.153 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.714 -2.980 -1.167 1.00 0.00 H new ATOM 752 N ILE A 53 -3.544 -6.008 -0.257 1.00 0.00 N ATOM 753 CA ILE A 53 -2.688 -7.070 0.258 1.00 0.00 C ATOM 754 C ILE A 53 -1.339 -7.082 -0.453 1.00 0.00 C ATOM 755 O ILE A 53 -1.274 -7.110 -1.682 1.00 0.00 O ATOM 756 CB ILE A 53 -3.350 -8.451 0.103 1.00 0.00 C ATOM 757 CG1 ILE A 53 -4.760 -8.436 0.698 1.00 0.00 C ATOM 758 CG2 ILE A 53 -2.501 -9.524 0.768 1.00 0.00 C ATOM 759 CD1 ILE A 53 -5.551 -9.692 0.411 1.00 0.00 C ATOM 0 H ILE A 53 -4.093 -6.269 -1.076 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.535 -6.867 1.318 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.427 -8.682 -0.959 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.689 -8.300 1.777 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -5.303 -7.577 0.304 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.983 -10.495 0.650 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.516 -9.549 0.302 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.395 -9.299 1.829 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -6.540 -9.611 0.863 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.654 -9.819 -0.667 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -5.030 -10.553 0.830 1.00 0.00 H new ATOM 771 N ILE A 54 -0.265 -7.063 0.329 1.00 0.00 N ATOM 772 CA ILE A 54 1.083 -7.075 -0.225 1.00 0.00 C ATOM 773 C ILE A 54 1.694 -8.471 -0.154 1.00 0.00 C ATOM 774 O ILE A 54 1.698 -9.106 0.900 1.00 0.00 O ATOM 775 CB ILE A 54 2.004 -6.085 0.512 1.00 0.00 C ATOM 776 CG1 ILE A 54 1.374 -4.691 0.538 1.00 0.00 C ATOM 777 CG2 ILE A 54 3.373 -6.042 -0.150 1.00 0.00 C ATOM 778 CD1 ILE A 54 0.487 -4.451 1.739 1.00 0.00 C ATOM 0 H ILE A 54 -0.302 -7.039 1.348 1.00 0.00 H new ATOM 0 HA ILE A 54 0.998 -6.771 -1.268 1.00 0.00 H new ATOM 0 HB ILE A 54 2.130 -6.425 1.540 1.00 0.00 H new ATOM 0 HG12 ILE A 54 2.167 -3.943 0.527 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.788 -4.549 -0.370 1.00 0.00 H new ATOM 0 HG21 ILE A 54 4.013 -5.338 0.382 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.823 -7.034 -0.121 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.266 -5.723 -1.187 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.075 -3.443 1.691 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.327 -5.176 1.741 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.073 -4.561 2.652 1.00 0.00 H new ATOM 790 N LYS A 55 2.212 -8.942 -1.283 1.00 0.00 N ATOM 791 CA LYS A 55 2.830 -10.261 -1.350 1.00 0.00 C ATOM 792 C LYS A 55 4.348 -10.157 -1.244 1.00 0.00 C ATOM 793 O LYS A 55 4.957 -10.737 -0.345 1.00 0.00 O ATOM 794 CB LYS A 55 2.446 -10.961 -2.656 1.00 0.00 C ATOM 795 CG LYS A 55 1.155 -11.756 -2.563 1.00 0.00 C ATOM 796 CD LYS A 55 1.415 -13.196 -2.154 1.00 0.00 C ATOM 797 CE LYS A 55 0.383 -14.140 -2.752 1.00 0.00 C ATOM 798 NZ LYS A 55 -0.784 -14.330 -1.848 1.00 0.00 N ATOM 0 H LYS A 55 2.216 -8.430 -2.165 1.00 0.00 H new ATOM 0 HA LYS A 55 2.464 -10.849 -0.508 1.00 0.00 H new ATOM 0 HB2 LYS A 55 2.347 -10.214 -3.443 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.254 -11.630 -2.951 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.489 -11.286 -1.840 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.645 -11.737 -3.526 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.412 -13.493 -2.478 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.396 -13.276 -1.067 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.041 -13.745 -3.709 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.847 -15.105 -2.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.464 -14.980 -2.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -0.461 -14.731 -0.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -1.243 -13.413 -1.676 1.00 0.00 H new ATOM 812 N GLU A 56 4.952 -9.413 -2.166 1.00 0.00 N ATOM 813 CA GLU A 56 6.399 -9.234 -2.174 1.00 0.00 C ATOM 814 C GLU A 56 6.769 -7.821 -2.615 1.00 0.00 C ATOM 815 O GLU A 56 5.957 -7.110 -3.208 1.00 0.00 O ATOM 816 CB GLU A 56 7.057 -10.259 -3.100 1.00 0.00 C ATOM 817 CG GLU A 56 8.569 -10.325 -2.958 1.00 0.00 C ATOM 818 CD GLU A 56 9.185 -11.431 -3.791 1.00 0.00 C ATOM 819 OE1 GLU A 56 8.548 -11.857 -4.777 1.00 0.00 O ATOM 820 OE2 GLU A 56 10.305 -11.871 -3.457 1.00 0.00 O ATOM 0 H GLU A 56 4.462 -8.925 -2.916 1.00 0.00 H new ATOM 0 HA GLU A 56 6.764 -9.386 -1.158 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.638 -11.244 -2.894 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.808 -10.016 -4.133 1.00 0.00 H new ATOM 0 HG2 GLU A 56 9.000 -9.369 -3.255 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.825 -10.479 -1.910 1.00 0.00 H new ATOM 827 N VAL A 57 8.002 -7.420 -2.322 1.00 0.00 N ATOM 828 CA VAL A 57 8.482 -6.092 -2.689 1.00 0.00 C ATOM 829 C VAL A 57 9.942 -6.137 -3.124 1.00 0.00 C ATOM 830 O VAL A 57 10.813 -6.564 -2.367 1.00 0.00 O ATOM 831 CB VAL A 57 8.335 -5.100 -1.520 1.00 0.00 C ATOM 832 CG1 VAL A 57 8.943 -3.754 -1.883 1.00 0.00 C ATOM 833 CG2 VAL A 57 6.872 -4.947 -1.132 1.00 0.00 C ATOM 0 H VAL A 57 8.687 -7.995 -1.832 1.00 0.00 H new ATOM 0 HA VAL A 57 7.868 -5.752 -3.523 1.00 0.00 H new ATOM 0 HB VAL A 57 8.875 -5.496 -0.660 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.830 -3.066 -1.045 1.00 0.00 H new ATOM 0 HG12 VAL A 57 10.002 -3.882 -2.107 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.433 -3.348 -2.757 1.00 0.00 H new ATOM 0 HG21 VAL A 57 6.787 -4.243 -0.305 1.00 0.00 H new ATOM 0 HG22 VAL A 57 6.306 -4.574 -1.986 1.00 0.00 H new ATOM 0 HG23 VAL A 57 6.473 -5.915 -0.827 1.00 0.00 H new ATOM 843 N ASN A 58 10.203 -5.691 -4.348 1.00 0.00 N ATOM 844 CA ASN A 58 11.559 -5.680 -4.885 1.00 0.00 C ATOM 845 C ASN A 58 12.195 -7.063 -4.785 1.00 0.00 C ATOM 846 O ASN A 58 13.417 -7.192 -4.720 1.00 0.00 O ATOM 847 CB ASN A 58 12.417 -4.657 -4.137 1.00 0.00 C ATOM 848 CG ASN A 58 12.368 -3.283 -4.778 1.00 0.00 C ATOM 849 OD1 ASN A 58 12.355 -3.156 -6.002 1.00 0.00 O ATOM 850 ND2 ASN A 58 12.341 -2.245 -3.950 1.00 0.00 N ATOM 0 H ASN A 58 9.493 -5.332 -4.987 1.00 0.00 H new ATOM 0 HA ASN A 58 11.504 -5.400 -5.937 1.00 0.00 H new ATOM 0 HB2 ASN A 58 12.075 -4.586 -3.104 1.00 0.00 H new ATOM 0 HB3 ASN A 58 13.450 -5.005 -4.108 1.00 0.00 H new ATOM 0 HD21 ASN A 58 12.308 -1.296 -4.323 1.00 0.00 H new ATOM 0 HD22 ASN A 58 12.353 -2.397 -2.941 1.00 0.00 H new ATOM 857 N GLY A 59 11.357 -8.095 -4.776 1.00 0.00 N ATOM 858 CA GLY A 59 11.855 -9.455 -4.685 1.00 0.00 C ATOM 859 C GLY A 59 12.235 -9.839 -3.269 1.00 0.00 C ATOM 860 O GLY A 59 13.155 -10.630 -3.060 1.00 0.00 O ATOM 0 H GLY A 59 10.342 -8.013 -4.830 1.00 0.00 H new ATOM 0 HA2 GLY A 59 11.094 -10.143 -5.053 1.00 0.00 H new ATOM 0 HA3 GLY A 59 12.724 -9.565 -5.334 1.00 0.00 H new ATOM 864 N GLN A 60 11.527 -9.278 -2.294 1.00 0.00 N ATOM 865 CA GLN A 60 11.798 -9.565 -0.891 1.00 0.00 C ATOM 866 C GLN A 60 10.499 -9.747 -0.112 1.00 0.00 C ATOM 867 O GLN A 60 9.497 -9.077 -0.364 1.00 0.00 O ATOM 868 CB GLN A 60 12.627 -8.440 -0.268 1.00 0.00 C ATOM 869 CG GLN A 60 14.107 -8.518 -0.604 1.00 0.00 C ATOM 870 CD GLN A 60 14.440 -7.864 -1.930 1.00 0.00 C ATOM 871 OE1 GLN A 60 14.053 -6.724 -2.188 1.00 0.00 O ATOM 872 NE2 GLN A 60 15.162 -8.585 -2.781 1.00 0.00 N ATOM 0 H GLN A 60 10.762 -8.622 -2.450 1.00 0.00 H new ATOM 0 HA GLN A 60 12.365 -10.495 -0.840 1.00 0.00 H new ATOM 0 HB2 GLN A 60 12.236 -7.481 -0.607 1.00 0.00 H new ATOM 0 HB3 GLN A 60 12.507 -8.468 0.815 1.00 0.00 H new ATOM 0 HG2 GLN A 60 14.681 -8.037 0.188 1.00 0.00 H new ATOM 0 HG3 GLN A 60 14.415 -9.563 -0.631 1.00 0.00 H new ATOM 0 HE21 GLN A 60 15.462 -9.526 -2.526 1.00 0.00 H new ATOM 0 HE22 GLN A 60 15.417 -8.197 -3.689 1.00 0.00 H new ATOM 881 N PRO A 61 10.514 -10.674 0.857 1.00 0.00 N ATOM 882 CA PRO A 61 9.346 -10.965 1.693 1.00 0.00 C ATOM 883 C PRO A 61 9.021 -9.825 2.653 1.00 0.00 C ATOM 884 O PRO A 61 9.855 -9.431 3.469 1.00 0.00 O ATOM 885 CB PRO A 61 9.767 -12.215 2.470 1.00 0.00 C ATOM 886 CG PRO A 61 11.256 -12.155 2.504 1.00 0.00 C ATOM 887 CD PRO A 61 11.674 -11.509 1.213 1.00 0.00 C ATOM 0 HA PRO A 61 8.443 -11.101 1.098 1.00 0.00 H new ATOM 0 HB2 PRO A 61 9.348 -12.216 3.476 1.00 0.00 H new ATOM 0 HB3 PRO A 61 9.418 -13.123 1.978 1.00 0.00 H new ATOM 0 HG2 PRO A 61 11.604 -11.577 3.360 1.00 0.00 H new ATOM 0 HG3 PRO A 61 11.685 -13.153 2.598 1.00 0.00 H new ATOM 0 HD2 PRO A 61 12.577 -10.911 1.337 1.00 0.00 H new ATOM 0 HD3 PRO A 61 11.886 -12.251 0.443 1.00 0.00 H new ATOM 895 N VAL A 62 7.805 -9.300 2.551 1.00 0.00 N ATOM 896 CA VAL A 62 7.369 -8.206 3.411 1.00 0.00 C ATOM 897 C VAL A 62 7.174 -8.681 4.846 1.00 0.00 C ATOM 898 O VAL A 62 7.091 -7.875 5.772 1.00 0.00 O ATOM 899 CB VAL A 62 6.055 -7.582 2.905 1.00 0.00 C ATOM 900 CG1 VAL A 62 6.242 -7.001 1.511 1.00 0.00 C ATOM 901 CG2 VAL A 62 4.937 -8.614 2.915 1.00 0.00 C ATOM 0 H VAL A 62 7.103 -9.615 1.881 1.00 0.00 H new ATOM 0 HA VAL A 62 8.154 -7.450 3.384 1.00 0.00 H new ATOM 0 HB VAL A 62 5.776 -6.770 3.577 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.303 -6.565 1.170 1.00 0.00 H new ATOM 0 HG12 VAL A 62 7.012 -6.230 1.538 1.00 0.00 H new ATOM 0 HG13 VAL A 62 6.545 -7.792 0.825 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.016 -8.156 2.555 1.00 0.00 H new ATOM 0 HG22 VAL A 62 5.206 -9.448 2.266 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.787 -8.979 3.931 1.00 0.00 H new ATOM 911 N GLY A 63 7.100 -9.997 5.024 1.00 0.00 N ATOM 912 CA GLY A 63 6.915 -10.557 6.350 1.00 0.00 C ATOM 913 C GLY A 63 5.563 -10.212 6.941 1.00 0.00 C ATOM 914 O GLY A 63 4.813 -9.418 6.374 1.00 0.00 O ATOM 0 H GLY A 63 7.165 -10.685 4.274 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.021 -11.641 6.301 1.00 0.00 H new ATOM 0 HA3 GLY A 63 7.701 -10.189 7.009 1.00 0.00 H new ATOM 918 N SER A 64 5.248 -10.813 8.085 1.00 0.00 N ATOM 919 CA SER A 64 3.973 -10.570 8.750 1.00 0.00 C ATOM 920 C SER A 64 3.992 -9.235 9.488 1.00 0.00 C ATOM 921 O SER A 64 3.066 -8.433 9.368 1.00 0.00 O ATOM 922 CB SER A 64 3.661 -11.703 9.730 1.00 0.00 C ATOM 923 OG SER A 64 4.696 -11.848 10.687 1.00 0.00 O ATOM 0 H SER A 64 5.858 -11.471 8.570 1.00 0.00 H new ATOM 0 HA SER A 64 3.194 -10.534 7.988 1.00 0.00 H new ATOM 0 HB2 SER A 64 2.718 -11.500 10.237 1.00 0.00 H new ATOM 0 HB3 SER A 64 3.534 -12.637 9.183 1.00 0.00 H new ATOM 0 HG SER A 64 4.472 -12.577 11.303 1.00 0.00 H new ATOM 929 N ASP A 65 5.054 -9.003 10.252 1.00 0.00 N ATOM 930 CA ASP A 65 5.196 -7.765 11.010 1.00 0.00 C ATOM 931 C ASP A 65 4.974 -6.551 10.113 1.00 0.00 C ATOM 932 O ASP A 65 5.805 -6.209 9.272 1.00 0.00 O ATOM 933 CB ASP A 65 6.581 -7.692 11.654 1.00 0.00 C ATOM 934 CG ASP A 65 6.916 -8.937 12.451 1.00 0.00 C ATOM 935 OD1 ASP A 65 6.551 -8.994 13.644 1.00 0.00 O ATOM 936 OD2 ASP A 65 7.540 -9.856 11.881 1.00 0.00 O ATOM 0 H ASP A 65 5.829 -9.656 10.363 1.00 0.00 H new ATOM 0 HA ASP A 65 4.439 -7.759 11.794 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.332 -7.548 10.877 1.00 0.00 H new ATOM 0 HB3 ASP A 65 6.629 -6.822 12.308 1.00 0.00 H new ATOM 941 N PRO A 66 3.824 -5.884 10.294 1.00 0.00 N ATOM 942 CA PRO A 66 3.465 -4.698 9.511 1.00 0.00 C ATOM 943 C PRO A 66 4.333 -3.492 9.854 1.00 0.00 C ATOM 944 O PRO A 66 4.841 -2.808 8.965 1.00 0.00 O ATOM 945 CB PRO A 66 2.009 -4.439 9.907 1.00 0.00 C ATOM 946 CG PRO A 66 1.872 -5.042 11.262 1.00 0.00 C ATOM 947 CD PRO A 66 2.787 -6.235 11.279 1.00 0.00 C ATOM 0 HA PRO A 66 3.609 -4.856 8.442 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.787 -3.372 9.924 1.00 0.00 H new ATOM 0 HB3 PRO A 66 1.319 -4.897 9.198 1.00 0.00 H new ATOM 0 HG2 PRO A 66 2.148 -4.327 12.037 1.00 0.00 H new ATOM 0 HG3 PRO A 66 0.841 -5.338 11.455 1.00 0.00 H new ATOM 0 HD2 PRO A 66 3.213 -6.401 12.269 1.00 0.00 H new ATOM 0 HD3 PRO A 66 2.261 -7.149 11.001 1.00 0.00 H new ATOM 955 N ARG A 67 4.499 -3.237 11.148 1.00 0.00 N ATOM 956 CA ARG A 67 5.306 -2.113 11.607 1.00 0.00 C ATOM 957 C ARG A 67 6.729 -2.207 11.066 1.00 0.00 C ATOM 958 O ARG A 67 7.367 -1.192 10.790 1.00 0.00 O ATOM 959 CB ARG A 67 5.332 -2.068 13.136 1.00 0.00 C ATOM 960 CG ARG A 67 3.950 -2.049 13.769 1.00 0.00 C ATOM 961 CD ARG A 67 4.024 -2.240 15.275 1.00 0.00 C ATOM 962 NE ARG A 67 4.269 -0.982 15.975 1.00 0.00 N ATOM 963 CZ ARG A 67 4.505 -0.901 17.280 1.00 0.00 C ATOM 964 NH1 ARG A 67 4.529 -1.999 18.022 1.00 0.00 N ATOM 965 NH2 ARG A 67 4.718 0.281 17.845 1.00 0.00 N ATOM 0 H ARG A 67 4.086 -3.793 11.896 1.00 0.00 H new ATOM 0 HA ARG A 67 4.853 -1.196 11.230 1.00 0.00 H new ATOM 0 HB2 ARG A 67 5.880 -2.934 13.507 1.00 0.00 H new ATOM 0 HB3 ARG A 67 5.881 -1.182 13.456 1.00 0.00 H new ATOM 0 HG2 ARG A 67 3.459 -1.102 13.545 1.00 0.00 H new ATOM 0 HG3 ARG A 67 3.337 -2.837 13.331 1.00 0.00 H new ATOM 0 HD2 ARG A 67 3.091 -2.677 15.631 1.00 0.00 H new ATOM 0 HD3 ARG A 67 4.819 -2.947 15.512 1.00 0.00 H new ATOM 0 HE ARG A 67 4.258 -0.118 15.432 1.00 0.00 H new ATOM 0 HH11 ARG A 67 4.366 -2.909 17.591 1.00 0.00 H new ATOM 0 HH12 ARG A 67 4.710 -1.934 19.024 1.00 0.00 H new ATOM 0 HH21 ARG A 67 4.701 1.128 17.277 1.00 0.00 H new ATOM 0 HH22 ARG A 67 4.899 0.342 18.847 1.00 0.00 H new ATOM 979 N ALA A 68 7.220 -3.434 10.918 1.00 0.00 N ATOM 980 CA ALA A 68 8.567 -3.661 10.409 1.00 0.00 C ATOM 981 C ALA A 68 8.646 -3.366 8.915 1.00 0.00 C ATOM 982 O ALA A 68 9.701 -2.992 8.400 1.00 0.00 O ATOM 983 CB ALA A 68 9.003 -5.091 10.690 1.00 0.00 C ATOM 0 H ALA A 68 6.705 -4.285 11.143 1.00 0.00 H new ATOM 0 HA ALA A 68 9.243 -2.979 10.924 1.00 0.00 H new ATOM 0 HB1 ALA A 68 10.011 -5.247 10.305 1.00 0.00 H new ATOM 0 HB2 ALA A 68 8.994 -5.269 11.765 1.00 0.00 H new ATOM 0 HB3 ALA A 68 8.317 -5.783 10.202 1.00 0.00 H new ATOM 989 N LEU A 69 7.525 -3.536 8.223 1.00 0.00 N ATOM 990 CA LEU A 69 7.467 -3.289 6.786 1.00 0.00 C ATOM 991 C LEU A 69 7.517 -1.794 6.489 1.00 0.00 C ATOM 992 O LEU A 69 8.246 -1.352 5.601 1.00 0.00 O ATOM 993 CB LEU A 69 6.194 -3.896 6.195 1.00 0.00 C ATOM 994 CG LEU A 69 5.628 -3.196 4.958 1.00 0.00 C ATOM 995 CD1 LEU A 69 6.507 -3.463 3.746 1.00 0.00 C ATOM 996 CD2 LEU A 69 4.200 -3.651 4.695 1.00 0.00 C ATOM 0 H LEU A 69 6.644 -3.844 8.634 1.00 0.00 H new ATOM 0 HA LEU A 69 8.334 -3.762 6.325 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.396 -4.936 5.939 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.425 -3.902 6.968 1.00 0.00 H new ATOM 0 HG LEU A 69 5.617 -2.122 5.144 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.089 -2.958 2.875 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.513 -3.088 3.936 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.550 -4.536 3.557 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.813 -3.143 3.812 1.00 0.00 H new ATOM 0 HD22 LEU A 69 4.186 -4.728 4.529 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.576 -3.408 5.555 1.00 0.00 H new ATOM 1008 N GLN A 70 6.739 -1.020 7.239 1.00 0.00 N ATOM 1009 CA GLN A 70 6.696 0.426 7.056 1.00 0.00 C ATOM 1010 C GLN A 70 8.077 1.041 7.255 1.00 0.00 C ATOM 1011 O GLN A 70 8.321 2.182 6.863 1.00 0.00 O ATOM 1012 CB GLN A 70 5.699 1.055 8.031 1.00 0.00 C ATOM 1013 CG GLN A 70 4.284 0.519 7.886 1.00 0.00 C ATOM 1014 CD GLN A 70 3.409 0.852 9.078 1.00 0.00 C ATOM 1015 OE1 GLN A 70 3.253 2.018 9.442 1.00 0.00 O ATOM 1016 NE2 GLN A 70 2.831 -0.174 9.692 1.00 0.00 N ATOM 0 H GLN A 70 6.130 -1.370 7.979 1.00 0.00 H new ATOM 0 HA GLN A 70 6.372 0.628 6.035 1.00 0.00 H new ATOM 0 HB2 GLN A 70 6.042 0.880 9.051 1.00 0.00 H new ATOM 0 HB3 GLN A 70 5.687 2.134 7.879 1.00 0.00 H new ATOM 0 HG2 GLN A 70 3.834 0.932 6.983 1.00 0.00 H new ATOM 0 HG3 GLN A 70 4.321 -0.563 7.758 1.00 0.00 H new ATOM 0 HE21 GLN A 70 2.988 -1.124 9.356 1.00 0.00 H new ATOM 0 HE22 GLN A 70 2.230 -0.012 10.500 1.00 0.00 H new ATOM 1025 N GLU A 71 8.977 0.277 7.866 1.00 0.00 N ATOM 1026 CA GLU A 71 10.334 0.749 8.117 1.00 0.00 C ATOM 1027 C GLU A 71 11.271 0.340 6.985 1.00 0.00 C ATOM 1028 O GLU A 71 12.245 1.033 6.687 1.00 0.00 O ATOM 1029 CB GLU A 71 10.852 0.197 9.447 1.00 0.00 C ATOM 1030 CG GLU A 71 12.319 0.500 9.702 1.00 0.00 C ATOM 1031 CD GLU A 71 12.682 0.429 11.173 1.00 0.00 C ATOM 1032 OE1 GLU A 71 12.993 -0.681 11.653 1.00 0.00 O ATOM 1033 OE2 GLU A 71 12.655 1.482 11.843 1.00 0.00 O ATOM 0 H GLU A 71 8.791 -0.670 8.196 1.00 0.00 H new ATOM 0 HA GLU A 71 10.308 1.837 8.169 1.00 0.00 H new ATOM 0 HB2 GLU A 71 10.257 0.613 10.260 1.00 0.00 H new ATOM 0 HB3 GLU A 71 10.704 -0.883 9.465 1.00 0.00 H new ATOM 0 HG2 GLU A 71 12.934 -0.207 9.145 1.00 0.00 H new ATOM 0 HG3 GLU A 71 12.552 1.494 9.322 1.00 0.00 H new ATOM 1040 N LEU A 72 10.971 -0.792 6.356 1.00 0.00 N ATOM 1041 CA LEU A 72 11.785 -1.296 5.256 1.00 0.00 C ATOM 1042 C LEU A 72 11.770 -0.326 4.079 1.00 0.00 C ATOM 1043 O LEU A 72 12.799 -0.083 3.447 1.00 0.00 O ATOM 1044 CB LEU A 72 11.280 -2.668 4.808 1.00 0.00 C ATOM 1045 CG LEU A 72 10.247 -2.668 3.682 1.00 0.00 C ATOM 1046 CD1 LEU A 72 10.904 -2.323 2.354 1.00 0.00 C ATOM 1047 CD2 LEU A 72 9.548 -4.018 3.599 1.00 0.00 C ATOM 0 H LEU A 72 10.169 -1.378 6.590 1.00 0.00 H new ATOM 0 HA LEU A 72 12.811 -1.392 5.611 1.00 0.00 H new ATOM 0 HB2 LEU A 72 12.137 -3.261 4.488 1.00 0.00 H new ATOM 0 HB3 LEU A 72 10.847 -3.173 5.671 1.00 0.00 H new ATOM 0 HG LEU A 72 9.499 -1.907 3.902 1.00 0.00 H new ATOM 0 HD11 LEU A 72 10.153 -2.328 1.564 1.00 0.00 H new ATOM 0 HD12 LEU A 72 11.357 -1.333 2.418 1.00 0.00 H new ATOM 0 HD13 LEU A 72 11.674 -3.060 2.127 1.00 0.00 H new ATOM 0 HD21 LEU A 72 8.816 -4.000 2.792 1.00 0.00 H new ATOM 0 HD22 LEU A 72 10.284 -4.798 3.403 1.00 0.00 H new ATOM 0 HD23 LEU A 72 9.043 -4.225 4.542 1.00 0.00 H new ATOM 1059 N LEU A 73 10.597 0.227 3.790 1.00 0.00 N ATOM 1060 CA LEU A 73 10.447 1.172 2.689 1.00 0.00 C ATOM 1061 C LEU A 73 11.254 2.440 2.947 1.00 0.00 C ATOM 1062 O LEU A 73 11.890 2.978 2.040 1.00 0.00 O ATOM 1063 CB LEU A 73 8.971 1.525 2.491 1.00 0.00 C ATOM 1064 CG LEU A 73 8.089 0.420 1.911 1.00 0.00 C ATOM 1065 CD1 LEU A 73 6.638 0.627 2.315 1.00 0.00 C ATOM 1066 CD2 LEU A 73 8.221 0.373 0.395 1.00 0.00 C ATOM 0 H LEU A 73 9.736 0.037 4.303 1.00 0.00 H new ATOM 0 HA LEU A 73 10.826 0.700 1.783 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.557 1.825 3.454 1.00 0.00 H new ATOM 0 HB3 LEU A 73 8.911 2.393 1.834 1.00 0.00 H new ATOM 0 HG LEU A 73 8.424 -0.535 2.315 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.026 -0.170 1.893 1.00 0.00 H new ATOM 0 HD12 LEU A 73 6.557 0.610 3.402 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.290 1.590 1.941 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.586 -0.420 -0.001 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.913 1.330 -0.027 1.00 0.00 H new ATOM 0 HD23 LEU A 73 9.259 0.175 0.126 1.00 0.00 H new ATOM 1078 N ARG A 74 11.227 2.911 4.189 1.00 0.00 N ATOM 1079 CA ARG A 74 11.957 4.115 4.567 1.00 0.00 C ATOM 1080 C ARG A 74 13.354 4.119 3.952 1.00 0.00 C ATOM 1081 O ARG A 74 13.874 5.168 3.575 1.00 0.00 O ATOM 1082 CB ARG A 74 12.059 4.220 6.089 1.00 0.00 C ATOM 1083 CG ARG A 74 12.253 5.641 6.591 1.00 0.00 C ATOM 1084 CD ARG A 74 12.098 5.726 8.101 1.00 0.00 C ATOM 1085 NE ARG A 74 11.789 7.082 8.545 1.00 0.00 N ATOM 1086 CZ ARG A 74 11.571 7.409 9.814 1.00 0.00 C ATOM 1087 NH1 ARG A 74 11.629 6.481 10.760 1.00 0.00 N ATOM 1088 NH2 ARG A 74 11.295 8.665 10.139 1.00 0.00 N ATOM 0 H ARG A 74 10.707 2.477 4.951 1.00 0.00 H new ATOM 0 HA ARG A 74 11.408 4.976 4.187 1.00 0.00 H new ATOM 0 HB2 ARG A 74 11.154 3.807 6.534 1.00 0.00 H new ATOM 0 HB3 ARG A 74 12.892 3.606 6.432 1.00 0.00 H new ATOM 0 HG2 ARG A 74 13.243 5.997 6.306 1.00 0.00 H new ATOM 0 HG3 ARG A 74 11.528 6.299 6.112 1.00 0.00 H new ATOM 0 HD2 ARG A 74 11.306 5.050 8.422 1.00 0.00 H new ATOM 0 HD3 ARG A 74 13.018 5.389 8.579 1.00 0.00 H new ATOM 0 HE ARG A 74 11.738 7.819 7.842 1.00 0.00 H new ATOM 0 HH11 ARG A 74 11.841 5.514 10.514 1.00 0.00 H new ATOM 0 HH12 ARG A 74 11.461 6.734 11.734 1.00 0.00 H new ATOM 0 HH21 ARG A 74 11.250 9.381 9.414 1.00 0.00 H new ATOM 0 HH22 ARG A 74 11.128 8.915 11.114 1.00 0.00 H new ATOM 1102 N ASN A 75 13.955 2.938 3.853 1.00 0.00 N ATOM 1103 CA ASN A 75 15.291 2.805 3.285 1.00 0.00 C ATOM 1104 C ASN A 75 15.242 2.084 1.942 1.00 0.00 C ATOM 1105 O ASN A 75 16.073 1.222 1.657 1.00 0.00 O ATOM 1106 CB ASN A 75 16.205 2.047 4.250 1.00 0.00 C ATOM 1107 CG ASN A 75 16.772 2.944 5.334 1.00 0.00 C ATOM 1108 OD1 ASN A 75 17.490 3.903 5.049 1.00 0.00 O ATOM 1109 ND2 ASN A 75 16.451 2.635 6.585 1.00 0.00 N ATOM 0 H ASN A 75 13.538 2.059 4.159 1.00 0.00 H new ATOM 0 HA ASN A 75 15.692 3.806 3.126 1.00 0.00 H new ATOM 0 HB2 ASN A 75 15.646 1.233 4.711 1.00 0.00 H new ATOM 0 HB3 ASN A 75 17.024 1.595 3.691 1.00 0.00 H new ATOM 0 HD21 ASN A 75 16.803 3.202 7.357 1.00 0.00 H new ATOM 0 HD22 ASN A 75 15.853 1.831 6.774 1.00 0.00 H new ATOM 1116 N ALA A 76 14.262 2.443 1.119 1.00 0.00 N ATOM 1117 CA ALA A 76 14.106 1.833 -0.195 1.00 0.00 C ATOM 1118 C ALA A 76 14.081 2.892 -1.293 1.00 0.00 C ATOM 1119 O ALA A 76 13.014 3.313 -1.738 1.00 0.00 O ATOM 1120 CB ALA A 76 12.837 0.994 -0.240 1.00 0.00 C ATOM 0 H ALA A 76 13.564 3.154 1.340 1.00 0.00 H new ATOM 0 HA ALA A 76 14.964 1.185 -0.371 1.00 0.00 H new ATOM 0 HB1 ALA A 76 12.733 0.544 -1.227 1.00 0.00 H new ATOM 0 HB2 ALA A 76 12.894 0.208 0.513 1.00 0.00 H new ATOM 0 HB3 ALA A 76 11.974 1.628 -0.038 1.00 0.00 H new ATOM 1126 N SER A 77 15.264 3.318 -1.724 1.00 0.00 N ATOM 1127 CA SER A 77 15.378 4.332 -2.766 1.00 0.00 C ATOM 1128 C SER A 77 15.189 3.713 -4.148 1.00 0.00 C ATOM 1129 O SER A 77 14.893 2.525 -4.274 1.00 0.00 O ATOM 1130 CB SER A 77 16.739 5.025 -2.687 1.00 0.00 C ATOM 1131 OG SER A 77 16.774 6.177 -3.511 1.00 0.00 O ATOM 0 H SER A 77 16.157 2.977 -1.368 1.00 0.00 H new ATOM 0 HA SER A 77 14.593 5.071 -2.607 1.00 0.00 H new ATOM 0 HB2 SER A 77 16.948 5.306 -1.655 1.00 0.00 H new ATOM 0 HB3 SER A 77 17.522 4.331 -2.993 1.00 0.00 H new ATOM 0 HG SER A 77 17.654 6.603 -3.441 1.00 0.00 H new ATOM 1137 N GLY A 78 15.363 4.528 -5.184 1.00 0.00 N ATOM 1138 CA GLY A 78 15.208 4.045 -6.543 1.00 0.00 C ATOM 1139 C GLY A 78 13.784 3.629 -6.852 1.00 0.00 C ATOM 1140 O GLY A 78 12.864 3.925 -6.089 1.00 0.00 O ATOM 0 H GLY A 78 15.609 5.515 -5.106 1.00 0.00 H new ATOM 0 HA2 GLY A 78 15.514 4.825 -7.240 1.00 0.00 H new ATOM 0 HA3 GLY A 78 15.874 3.197 -6.702 1.00 0.00 H new ATOM 1144 N SER A 79 13.599 2.943 -7.976 1.00 0.00 N ATOM 1145 CA SER A 79 12.275 2.491 -8.387 1.00 0.00 C ATOM 1146 C SER A 79 11.809 1.321 -7.526 1.00 0.00 C ATOM 1147 O SER A 79 12.176 0.171 -7.770 1.00 0.00 O ATOM 1148 CB SER A 79 12.288 2.082 -9.861 1.00 0.00 C ATOM 1149 OG SER A 79 13.217 1.038 -10.092 1.00 0.00 O ATOM 0 H SER A 79 14.350 2.688 -8.618 1.00 0.00 H new ATOM 0 HA SER A 79 11.577 3.318 -8.253 1.00 0.00 H new ATOM 0 HB2 SER A 79 11.291 1.759 -10.161 1.00 0.00 H new ATOM 0 HB3 SER A 79 12.543 2.943 -10.478 1.00 0.00 H new ATOM 0 HG SER A 79 13.178 0.396 -9.353 1.00 0.00 H new ATOM 1155 N VAL A 80 10.998 1.622 -6.517 1.00 0.00 N ATOM 1156 CA VAL A 80 10.480 0.597 -5.620 1.00 0.00 C ATOM 1157 C VAL A 80 9.190 -0.007 -6.162 1.00 0.00 C ATOM 1158 O VAL A 80 8.233 0.710 -6.457 1.00 0.00 O ATOM 1159 CB VAL A 80 10.217 1.163 -4.212 1.00 0.00 C ATOM 1160 CG1 VAL A 80 9.593 0.103 -3.317 1.00 0.00 C ATOM 1161 CG2 VAL A 80 11.506 1.695 -3.603 1.00 0.00 C ATOM 0 H VAL A 80 10.685 2.568 -6.300 1.00 0.00 H new ATOM 0 HA VAL A 80 11.242 -0.180 -5.554 1.00 0.00 H new ATOM 0 HB VAL A 80 9.513 1.991 -4.298 1.00 0.00 H new ATOM 0 HG11 VAL A 80 9.415 0.522 -2.327 1.00 0.00 H new ATOM 0 HG12 VAL A 80 8.647 -0.226 -3.748 1.00 0.00 H new ATOM 0 HG13 VAL A 80 10.269 -0.748 -3.235 1.00 0.00 H new ATOM 0 HG21 VAL A 80 11.302 2.091 -2.608 1.00 0.00 H new ATOM 0 HG22 VAL A 80 12.234 0.887 -3.530 1.00 0.00 H new ATOM 0 HG23 VAL A 80 11.906 2.488 -4.234 1.00 0.00 H new ATOM 1171 N ILE A 81 9.170 -1.329 -6.290 1.00 0.00 N ATOM 1172 CA ILE A 81 7.996 -2.030 -6.795 1.00 0.00 C ATOM 1173 C ILE A 81 7.217 -2.688 -5.661 1.00 0.00 C ATOM 1174 O ILE A 81 7.804 -3.253 -4.737 1.00 0.00 O ATOM 1175 CB ILE A 81 8.382 -3.105 -7.829 1.00 0.00 C ATOM 1176 CG1 ILE A 81 8.902 -2.448 -9.109 1.00 0.00 C ATOM 1177 CG2 ILE A 81 7.191 -4.001 -8.132 1.00 0.00 C ATOM 1178 CD1 ILE A 81 9.909 -1.348 -8.859 1.00 0.00 C ATOM 0 H ILE A 81 9.954 -1.937 -6.051 1.00 0.00 H new ATOM 0 HA ILE A 81 7.367 -1.282 -7.278 1.00 0.00 H new ATOM 0 HB ILE A 81 9.177 -3.722 -7.411 1.00 0.00 H new ATOM 0 HG12 ILE A 81 9.359 -3.211 -9.739 1.00 0.00 H new ATOM 0 HG13 ILE A 81 8.059 -2.038 -9.665 1.00 0.00 H new ATOM 0 HG21 ILE A 81 7.480 -4.755 -8.864 1.00 0.00 H new ATOM 0 HG22 ILE A 81 6.863 -4.492 -7.216 1.00 0.00 H new ATOM 0 HG23 ILE A 81 6.376 -3.399 -8.534 1.00 0.00 H new ATOM 0 HD11 ILE A 81 10.233 -0.928 -9.811 1.00 0.00 H new ATOM 0 HD12 ILE A 81 9.450 -0.565 -8.255 1.00 0.00 H new ATOM 0 HD13 ILE A 81 10.770 -1.756 -8.330 1.00 0.00 H new ATOM 1190 N LEU A 82 5.893 -2.613 -5.738 1.00 0.00 N ATOM 1191 CA LEU A 82 5.033 -3.203 -4.718 1.00 0.00 C ATOM 1192 C LEU A 82 4.011 -4.145 -5.347 1.00 0.00 C ATOM 1193 O LEU A 82 3.152 -3.720 -6.120 1.00 0.00 O ATOM 1194 CB LEU A 82 4.315 -2.106 -3.931 1.00 0.00 C ATOM 1195 CG LEU A 82 5.200 -0.986 -3.382 1.00 0.00 C ATOM 1196 CD1 LEU A 82 4.389 0.285 -3.181 1.00 0.00 C ATOM 1197 CD2 LEU A 82 5.854 -1.415 -2.076 1.00 0.00 C ATOM 0 H LEU A 82 5.392 -2.150 -6.496 1.00 0.00 H new ATOM 0 HA LEU A 82 5.660 -3.778 -4.037 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.557 -1.660 -4.576 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.790 -2.570 -3.096 1.00 0.00 H new ATOM 0 HG LEU A 82 5.986 -0.780 -4.109 1.00 0.00 H new ATOM 0 HD11 LEU A 82 5.035 1.071 -2.790 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.968 0.603 -4.135 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.582 0.094 -2.474 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.480 -0.606 -1.700 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.083 -1.648 -1.342 1.00 0.00 H new ATOM 0 HD23 LEU A 82 6.468 -2.298 -2.250 1.00 0.00 H new ATOM 1209 N LYS A 83 4.108 -5.426 -5.009 1.00 0.00 N ATOM 1210 CA LYS A 83 3.191 -6.429 -5.536 1.00 0.00 C ATOM 1211 C LYS A 83 1.927 -6.512 -4.686 1.00 0.00 C ATOM 1212 O LYS A 83 1.958 -7.009 -3.560 1.00 0.00 O ATOM 1213 CB LYS A 83 3.874 -7.798 -5.588 1.00 0.00 C ATOM 1214 CG LYS A 83 3.171 -8.795 -6.493 1.00 0.00 C ATOM 1215 CD LYS A 83 4.125 -9.869 -6.986 1.00 0.00 C ATOM 1216 CE LYS A 83 3.694 -10.419 -8.338 1.00 0.00 C ATOM 1217 NZ LYS A 83 4.107 -11.838 -8.516 1.00 0.00 N ATOM 0 H LYS A 83 4.814 -5.794 -4.371 1.00 0.00 H new ATOM 0 HA LYS A 83 2.909 -6.131 -6.546 1.00 0.00 H new ATOM 0 HB2 LYS A 83 4.901 -7.670 -5.931 1.00 0.00 H new ATOM 0 HB3 LYS A 83 3.924 -8.208 -4.579 1.00 0.00 H new ATOM 0 HG2 LYS A 83 2.346 -9.260 -5.953 1.00 0.00 H new ATOM 0 HG3 LYS A 83 2.739 -8.272 -7.346 1.00 0.00 H new ATOM 0 HD2 LYS A 83 5.131 -9.456 -7.064 1.00 0.00 H new ATOM 0 HD3 LYS A 83 4.169 -10.680 -6.259 1.00 0.00 H new ATOM 0 HE2 LYS A 83 2.611 -10.341 -8.433 1.00 0.00 H new ATOM 0 HE3 LYS A 83 4.128 -9.812 -9.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 3.795 -12.176 -9.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 5.143 -11.909 -8.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 3.672 -12.422 -7.773 1.00 0.00 H new ATOM 1231 N ILE A 84 0.819 -6.023 -5.232 1.00 0.00 N ATOM 1232 CA ILE A 84 -0.454 -6.044 -4.523 1.00 0.00 C ATOM 1233 C ILE A 84 -1.378 -7.119 -5.086 1.00 0.00 C ATOM 1234 O ILE A 84 -1.214 -7.561 -6.224 1.00 0.00 O ATOM 1235 CB ILE A 84 -1.165 -4.680 -4.602 1.00 0.00 C ATOM 1236 CG1 ILE A 84 -0.138 -3.550 -4.694 1.00 0.00 C ATOM 1237 CG2 ILE A 84 -2.070 -4.484 -3.394 1.00 0.00 C ATOM 1238 CD1 ILE A 84 0.712 -3.403 -3.452 1.00 0.00 C ATOM 0 H ILE A 84 0.777 -5.608 -6.163 1.00 0.00 H new ATOM 0 HA ILE A 84 -0.231 -6.268 -3.480 1.00 0.00 H new ATOM 0 HB ILE A 84 -1.782 -4.659 -5.501 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.512 -3.730 -5.550 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.659 -2.611 -4.881 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.566 -3.516 -3.464 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.820 -5.275 -3.369 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.473 -4.521 -2.483 1.00 0.00 H new ATOM 0 HD11 ILE A 84 1.417 -2.583 -3.589 1.00 0.00 H new ATOM 0 HD12 ILE A 84 0.072 -3.192 -2.596 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.261 -4.328 -3.275 1.00 0.00 H new ATOM 1250 N LEU A 85 -2.350 -7.536 -4.282 1.00 0.00 N ATOM 1251 CA LEU A 85 -3.303 -8.559 -4.699 1.00 0.00 C ATOM 1252 C LEU A 85 -4.673 -8.315 -4.074 1.00 0.00 C ATOM 1253 O LEU A 85 -4.774 -7.894 -2.922 1.00 0.00 O ATOM 1254 CB LEU A 85 -2.793 -9.948 -4.312 1.00 0.00 C ATOM 1255 CG LEU A 85 -1.955 -10.673 -5.366 1.00 0.00 C ATOM 1256 CD1 LEU A 85 -0.503 -10.229 -5.292 1.00 0.00 C ATOM 1257 CD2 LEU A 85 -2.063 -12.181 -5.188 1.00 0.00 C ATOM 0 H LEU A 85 -2.499 -7.181 -3.337 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.404 -8.505 -5.783 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.197 -9.854 -3.404 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.652 -10.573 -4.066 1.00 0.00 H new ATOM 0 HG LEU A 85 -2.343 -10.414 -6.351 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.078 -10.756 -6.049 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.441 -9.155 -5.469 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.103 -10.457 -4.304 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.461 -12.681 -5.946 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.702 -12.457 -4.197 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -3.104 -12.486 -5.293 1.00 0.00 H new ATOM 1269 N SER A 86 -5.724 -8.584 -4.841 1.00 0.00 N ATOM 1270 CA SER A 86 -7.088 -8.392 -4.363 1.00 0.00 C ATOM 1271 C SER A 86 -7.407 -9.361 -3.228 1.00 0.00 C ATOM 1272 O SER A 86 -6.811 -10.432 -3.125 1.00 0.00 O ATOM 1273 CB SER A 86 -8.084 -8.585 -5.508 1.00 0.00 C ATOM 1274 OG SER A 86 -8.336 -7.361 -6.177 1.00 0.00 O ATOM 0 H SER A 86 -5.657 -8.936 -5.796 1.00 0.00 H new ATOM 0 HA SER A 86 -7.174 -7.374 -3.984 1.00 0.00 H new ATOM 0 HB2 SER A 86 -7.692 -9.316 -6.216 1.00 0.00 H new ATOM 0 HB3 SER A 86 -9.018 -8.989 -5.117 1.00 0.00 H new ATOM 0 HG SER A 86 -8.974 -7.512 -6.905 1.00 0.00 H new ATOM 1280 N GLY A 87 -8.354 -8.975 -2.378 1.00 0.00 N ATOM 1281 CA GLY A 87 -8.736 -9.819 -1.261 1.00 0.00 C ATOM 1282 C GLY A 87 -10.235 -9.838 -1.035 1.00 0.00 C ATOM 1283 O GLY A 87 -11.023 -9.542 -1.933 1.00 0.00 O ATOM 0 H GLY A 87 -8.863 -8.093 -2.443 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -8.386 -10.835 -1.441 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -8.240 -9.466 -0.357 1.00 0.00 H new ATOM 1287 N PRO A 88 -10.648 -10.196 0.190 1.00 0.00 N ATOM 1288 CA PRO A 88 -12.066 -10.262 0.559 1.00 0.00 C ATOM 1289 C PRO A 88 -12.709 -8.882 0.637 1.00 0.00 C ATOM 1290 O PRO A 88 -12.053 -7.899 0.981 1.00 0.00 O ATOM 1291 CB PRO A 88 -12.042 -10.920 1.940 1.00 0.00 C ATOM 1292 CG PRO A 88 -10.695 -10.600 2.490 1.00 0.00 C ATOM 1293 CD PRO A 88 -9.764 -10.562 1.309 1.00 0.00 C ATOM 0 HA PRO A 88 -12.655 -10.808 -0.178 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -12.834 -10.528 2.579 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -12.194 -11.997 1.868 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -10.704 -9.643 3.011 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -10.379 -11.353 3.212 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -8.968 -9.831 1.448 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -9.285 -11.527 1.144 1.00 0.00 H new ATOM 1301 N SER A 89 -13.998 -8.816 0.317 1.00 0.00 N ATOM 1302 CA SER A 89 -14.729 -7.555 0.348 1.00 0.00 C ATOM 1303 C SER A 89 -14.560 -6.862 1.697 1.00 0.00 C ATOM 1304 O SER A 89 -14.896 -7.421 2.741 1.00 0.00 O ATOM 1305 CB SER A 89 -16.214 -7.795 0.068 1.00 0.00 C ATOM 1306 OG SER A 89 -16.746 -8.775 0.942 1.00 0.00 O ATOM 0 H SER A 89 -14.557 -9.621 0.034 1.00 0.00 H new ATOM 0 HA SER A 89 -14.320 -6.907 -0.428 1.00 0.00 H new ATOM 0 HB2 SER A 89 -16.765 -6.862 0.185 1.00 0.00 H new ATOM 0 HB3 SER A 89 -16.345 -8.115 -0.966 1.00 0.00 H new ATOM 0 HG SER A 89 -16.358 -8.662 1.835 1.00 0.00 H new ATOM 1312 N SER A 90 -14.037 -5.640 1.666 1.00 0.00 N ATOM 1313 CA SER A 90 -13.819 -4.871 2.886 1.00 0.00 C ATOM 1314 C SER A 90 -14.396 -3.465 2.752 1.00 0.00 C ATOM 1315 O SER A 90 -13.983 -2.692 1.889 1.00 0.00 O ATOM 1316 CB SER A 90 -12.325 -4.793 3.205 1.00 0.00 C ATOM 1317 OG SER A 90 -12.097 -4.076 4.405 1.00 0.00 O ATOM 0 H SER A 90 -13.757 -5.162 0.810 1.00 0.00 H new ATOM 0 HA SER A 90 -14.331 -5.379 3.703 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.916 -5.799 3.296 1.00 0.00 H new ATOM 0 HB3 SER A 90 -11.799 -4.308 2.382 1.00 0.00 H new ATOM 0 HG SER A 90 -11.135 -4.042 4.588 1.00 0.00 H new ATOM 1323 N GLY A 91 -15.356 -3.141 3.613 1.00 0.00 N ATOM 1324 CA GLY A 91 -15.976 -1.830 3.575 1.00 0.00 C ATOM 1325 C GLY A 91 -17.148 -1.714 4.529 1.00 0.00 C ATOM 1326 O GLY A 91 -17.055 -1.046 5.559 1.00 0.00 O ATOM 0 H GLY A 91 -15.715 -3.764 4.336 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -15.233 -1.073 3.824 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -16.316 -1.622 2.560 1.00 0.00 H new TER 1330 GLY A 91