USER MOD reduce.3.24.130724 H: found=0, std=0, add=737, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 737 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 79 THR OG1 : rot -60:sc= 0.661 USER MOD Set 1.2: A 82 THR OG1 : rot 84:sc= 0.356 USER MOD Set 2.1: A 68 ASN : amide:sc= -0.115 X(o=0.0062,f=0.15) USER MOD Set 2.2: A 72 GLN : amide:sc= 0.149 K(o=0.0062,f=-2) USER MOD Set 2.3: A 78 MET CE :methyl -137:sc= -0.0279 (180deg=0) USER MOD Set 3.1: A 64 ASN : amide:sc= -3.31 K(o=-10,f=-13!) USER MOD Set 3.2: A 87 GLN : amide:sc= -6.76! C(o=-10!,f=-11!) USER MOD Set 4.1: A 18 GLN : amide:sc= 0 X(o=-5,f=-5.3) USER MOD Set 4.2: A 21 GLN : amide:sc= -4.98! C(o=-5!,f=-5.2!) USER MOD Single : A 9 GLN : amide:sc= -0.558 X(o=-0.56,f=-0.064) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot -140:sc= -2.8! USER MOD Single : A 22 SER OG : rot -112:sc= -1.2 USER MOD Single : A 24 MET CE :methyl -168:sc= -1.67 (180deg=-2.55) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 ASN : amide:sc= -32.2! C(o=-32!,f=-33!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 CYS SG : rot -41:sc= -0.28! USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.0031 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -96:sc= 1.26 USER MOD Single : A 85 SER OG : rot 60:sc= -1.53 USER MOD Single : A 93 SER OG : rot -131:sc= 0.963 USER MOD Single : A 94 MET CE :methyl -115:sc= -8.45! (180deg=-10.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 3.819 13.909 -5.037 1.00 0.00 N ATOM 2 CA PRO A 1 4.382 13.923 -3.655 1.00 0.00 C ATOM 3 C PRO A 1 5.673 13.153 -3.527 1.00 0.00 C ATOM 4 O PRO A 1 6.329 12.809 -4.509 1.00 0.00 O ATOM 5 CB PRO A 1 3.351 13.260 -2.768 1.00 0.00 C ATOM 6 CG PRO A 1 2.110 13.449 -3.519 1.00 0.00 C ATOM 7 CD PRO A 1 2.524 13.196 -4.939 1.00 0.00 C ATOM 0 H2 PRO A 1 4.449 13.435 -5.684 1.00 0.00 H new ATOM 0 H3 PRO A 1 3.689 14.858 -5.388 1.00 0.00 H new ATOM 0 HA PRO A 1 4.601 14.955 -3.380 1.00 0.00 H new ATOM 0 HB2 PRO A 1 3.572 12.204 -2.610 1.00 0.00 H new ATOM 0 HB3 PRO A 1 3.304 13.726 -1.784 1.00 0.00 H new ATOM 0 HG2 PRO A 1 1.335 12.754 -3.196 1.00 0.00 H new ATOM 0 HG3 PRO A 1 1.711 14.455 -3.390 1.00 0.00 H new ATOM 0 HD2 PRO A 1 2.632 12.131 -5.145 1.00 0.00 H new ATOM 0 HD3 PRO A 1 1.794 13.585 -5.648 1.00 0.00 H new ATOM 17 N ARG A 2 5.983 12.856 -2.280 1.00 0.00 N ATOM 18 CA ARG A 2 7.160 12.071 -1.926 1.00 0.00 C ATOM 19 C ARG A 2 6.672 10.799 -1.266 1.00 0.00 C ATOM 20 O ARG A 2 5.502 10.731 -0.893 1.00 0.00 O ATOM 21 CB ARG A 2 8.073 12.843 -0.974 1.00 0.00 C ATOM 22 CG ARG A 2 8.998 11.944 -0.174 1.00 0.00 C ATOM 23 CD ARG A 2 9.896 12.743 0.756 1.00 0.00 C ATOM 24 NE ARG A 2 10.814 13.614 0.027 1.00 0.00 N ATOM 25 CZ ARG A 2 10.526 14.863 -0.326 1.00 0.00 C ATOM 26 NH1 ARG A 2 9.336 15.377 -0.045 1.00 0.00 N ATOM 27 NH2 ARG A 2 11.426 15.598 -0.964 1.00 0.00 N ATOM 0 H ARG A 2 5.427 13.151 -1.478 1.00 0.00 H new ATOM 0 HA ARG A 2 7.743 11.849 -2.820 1.00 0.00 H new ATOM 0 HB2 ARG A 2 8.671 13.551 -1.548 1.00 0.00 H new ATOM 0 HB3 ARG A 2 7.461 13.427 -0.287 1.00 0.00 H new ATOM 0 HG2 ARG A 2 8.405 11.240 0.410 1.00 0.00 H new ATOM 0 HG3 ARG A 2 9.612 11.356 -0.856 1.00 0.00 H new ATOM 0 HD2 ARG A 2 9.280 13.346 1.423 1.00 0.00 H new ATOM 0 HD3 ARG A 2 10.468 12.058 1.382 1.00 0.00 H new ATOM 0 HE ARG A 2 11.730 13.242 -0.226 1.00 0.00 H new ATOM 0 HH11 ARG A 2 8.640 14.814 0.443 1.00 0.00 H new ATOM 0 HH12 ARG A 2 9.117 16.335 -0.317 1.00 0.00 H new ATOM 0 HH21 ARG A 2 12.341 15.205 -1.185 1.00 0.00 H new ATOM 0 HH22 ARG A 2 11.203 16.556 -1.234 1.00 0.00 H new ATOM 41 N VAL A 3 7.503 9.775 -1.128 1.00 0.00 N ATOM 42 CA VAL A 3 6.998 8.572 -0.526 1.00 0.00 C ATOM 43 C VAL A 3 8.094 7.663 -0.025 1.00 0.00 C ATOM 44 O VAL A 3 9.264 7.813 -0.362 1.00 0.00 O ATOM 45 CB VAL A 3 6.087 7.871 -1.546 1.00 0.00 C ATOM 46 CG1 VAL A 3 6.134 6.377 -1.507 1.00 0.00 C ATOM 47 CG2 VAL A 3 4.680 8.265 -1.320 1.00 0.00 C ATOM 0 H VAL A 3 8.482 9.758 -1.413 1.00 0.00 H new ATOM 0 HA VAL A 3 6.424 8.834 0.363 1.00 0.00 H new ATOM 0 HB VAL A 3 6.464 8.190 -2.518 1.00 0.00 H new ATOM 0 HG11 VAL A 3 5.459 5.972 -2.261 1.00 0.00 H new ATOM 0 HG12 VAL A 3 7.150 6.040 -1.710 1.00 0.00 H new ATOM 0 HG13 VAL A 3 5.827 6.029 -0.521 1.00 0.00 H new ATOM 0 HG21 VAL A 3 4.041 7.764 -2.047 1.00 0.00 H new ATOM 0 HG22 VAL A 3 4.379 7.977 -0.313 1.00 0.00 H new ATOM 0 HG23 VAL A 3 4.582 9.345 -1.434 1.00 0.00 H new ATOM 57 N VAL A 4 7.699 6.705 0.784 1.00 0.00 N ATOM 58 CA VAL A 4 8.655 5.761 1.317 1.00 0.00 C ATOM 59 C VAL A 4 8.016 4.429 1.619 1.00 0.00 C ATOM 60 O VAL A 4 7.229 4.286 2.547 1.00 0.00 O ATOM 61 CB VAL A 4 9.391 6.296 2.557 1.00 0.00 C ATOM 62 CG1 VAL A 4 10.065 5.163 3.317 1.00 0.00 C ATOM 63 CG2 VAL A 4 10.413 7.329 2.127 1.00 0.00 C ATOM 0 H VAL A 4 6.735 6.560 1.084 1.00 0.00 H new ATOM 0 HA VAL A 4 9.400 5.617 0.534 1.00 0.00 H new ATOM 0 HB VAL A 4 8.667 6.761 3.226 1.00 0.00 H new ATOM 0 HG11 VAL A 4 10.579 5.566 4.190 1.00 0.00 H new ATOM 0 HG12 VAL A 4 9.313 4.443 3.639 1.00 0.00 H new ATOM 0 HG13 VAL A 4 10.787 4.668 2.667 1.00 0.00 H new ATOM 0 HG21 VAL A 4 10.936 7.710 3.004 1.00 0.00 H new ATOM 0 HG22 VAL A 4 11.131 6.870 1.447 1.00 0.00 H new ATOM 0 HG23 VAL A 4 9.908 8.151 1.620 1.00 0.00 H new ATOM 73 N PHE A 5 8.404 3.461 0.821 1.00 0.00 N ATOM 74 CA PHE A 5 7.926 2.099 0.945 1.00 0.00 C ATOM 75 C PHE A 5 8.882 1.308 1.832 1.00 0.00 C ATOM 76 O PHE A 5 9.963 1.784 2.169 1.00 0.00 O ATOM 77 CB PHE A 5 7.918 1.441 -0.420 1.00 0.00 C ATOM 78 CG PHE A 5 6.836 1.864 -1.379 1.00 0.00 C ATOM 79 CD1 PHE A 5 6.305 3.159 -1.419 1.00 0.00 C ATOM 80 CD2 PHE A 5 6.379 0.939 -2.295 1.00 0.00 C ATOM 81 CE1 PHE A 5 5.346 3.491 -2.356 1.00 0.00 C ATOM 82 CE2 PHE A 5 5.433 1.263 -3.227 1.00 0.00 C ATOM 83 CZ PHE A 5 4.910 2.540 -3.268 1.00 0.00 C ATOM 0 H PHE A 5 9.068 3.596 0.058 1.00 0.00 H new ATOM 0 HA PHE A 5 6.923 2.112 1.372 1.00 0.00 H new ATOM 0 HB2 PHE A 5 8.882 1.630 -0.893 1.00 0.00 H new ATOM 0 HB3 PHE A 5 7.840 0.363 -0.276 1.00 0.00 H new ATOM 0 HD1 PHE A 5 6.647 3.902 -0.714 1.00 0.00 H new ATOM 0 HD2 PHE A 5 6.778 -0.064 -2.275 1.00 0.00 H new ATOM 0 HE1 PHE A 5 4.936 4.490 -2.379 1.00 0.00 H new ATOM 0 HE2 PHE A 5 5.094 0.519 -3.932 1.00 0.00 H new ATOM 0 HZ PHE A 5 4.165 2.798 -4.006 1.00 0.00 H new ATOM 93 N ILE A 6 8.489 0.095 2.183 1.00 0.00 N ATOM 94 CA ILE A 6 9.301 -0.777 3.001 1.00 0.00 C ATOM 95 C ILE A 6 9.045 -2.238 2.650 1.00 0.00 C ATOM 96 O ILE A 6 8.036 -2.567 2.024 1.00 0.00 O ATOM 97 CB ILE A 6 9.000 -0.582 4.482 1.00 0.00 C ATOM 98 CG1 ILE A 6 8.825 0.899 4.801 1.00 0.00 C ATOM 99 CG2 ILE A 6 10.117 -1.181 5.288 1.00 0.00 C ATOM 100 CD1 ILE A 6 10.119 1.654 4.884 1.00 0.00 C ATOM 0 H ILE A 6 7.595 -0.310 1.906 1.00 0.00 H new ATOM 0 HA ILE A 6 10.342 -0.522 2.804 1.00 0.00 H new ATOM 0 HB ILE A 6 8.067 -1.084 4.737 1.00 0.00 H new ATOM 0 HG12 ILE A 6 8.197 1.355 4.036 1.00 0.00 H new ATOM 0 HG13 ILE A 6 8.295 0.998 5.749 1.00 0.00 H new ATOM 0 HG21 ILE A 6 9.912 -1.047 6.350 1.00 0.00 H new ATOM 0 HG22 ILE A 6 10.196 -2.245 5.065 1.00 0.00 H new ATOM 0 HG23 ILE A 6 11.055 -0.686 5.034 1.00 0.00 H new ATOM 0 HD11 ILE A 6 9.916 2.700 5.114 1.00 0.00 H new ATOM 0 HD12 ILE A 6 10.741 1.224 5.669 1.00 0.00 H new ATOM 0 HD13 ILE A 6 10.641 1.587 3.930 1.00 0.00 H new ATOM 112 N ASP A 7 9.955 -3.113 3.059 1.00 0.00 N ATOM 113 CA ASP A 7 9.810 -4.535 2.791 1.00 0.00 C ATOM 114 C ASP A 7 10.859 -5.342 3.548 1.00 0.00 C ATOM 115 O ASP A 7 11.600 -4.800 4.362 1.00 0.00 O ATOM 116 CB ASP A 7 9.905 -4.792 1.288 1.00 0.00 C ATOM 117 CG ASP A 7 9.169 -6.046 0.859 1.00 0.00 C ATOM 118 OD1 ASP A 7 9.534 -7.141 1.336 1.00 0.00 O ATOM 119 OD2 ASP A 7 8.230 -5.933 0.043 1.00 0.00 O ATOM 0 H ASP A 7 10.798 -2.863 3.576 1.00 0.00 H new ATOM 0 HA ASP A 7 8.830 -4.858 3.141 1.00 0.00 H new ATOM 0 HB2 ASP A 7 9.498 -3.935 0.751 1.00 0.00 H new ATOM 0 HB3 ASP A 7 10.954 -4.877 1.004 1.00 0.00 H new ATOM 124 N GLU A 8 10.906 -6.640 3.285 1.00 0.00 N ATOM 125 CA GLU A 8 11.853 -7.520 3.948 1.00 0.00 C ATOM 126 C GLU A 8 13.071 -7.793 3.066 1.00 0.00 C ATOM 127 O GLU A 8 14.034 -8.422 3.503 1.00 0.00 O ATOM 128 CB GLU A 8 11.167 -8.837 4.314 1.00 0.00 C ATOM 129 CG GLU A 8 12.131 -9.906 4.782 1.00 0.00 C ATOM 130 CD GLU A 8 11.611 -10.679 5.979 1.00 0.00 C ATOM 131 OE1 GLU A 8 10.797 -11.605 5.779 1.00 0.00 O ATOM 132 OE2 GLU A 8 12.018 -10.358 7.116 1.00 0.00 O ATOM 0 H GLU A 8 10.296 -7.107 2.614 1.00 0.00 H new ATOM 0 HA GLU A 8 12.200 -7.024 4.855 1.00 0.00 H new ATOM 0 HB2 GLU A 8 10.434 -8.651 5.099 1.00 0.00 H new ATOM 0 HB3 GLU A 8 10.619 -9.206 3.447 1.00 0.00 H new ATOM 0 HG2 GLU A 8 12.324 -10.599 3.963 1.00 0.00 H new ATOM 0 HG3 GLU A 8 13.084 -9.443 5.039 1.00 0.00 H new ATOM 139 N GLN A 9 13.028 -7.314 1.825 1.00 0.00 N ATOM 140 CA GLN A 9 14.135 -7.514 0.896 1.00 0.00 C ATOM 141 C GLN A 9 15.150 -6.380 1.005 1.00 0.00 C ATOM 142 O GLN A 9 16.349 -6.588 0.818 1.00 0.00 O ATOM 143 CB GLN A 9 13.622 -7.613 -0.543 1.00 0.00 C ATOM 144 CG GLN A 9 12.195 -8.127 -0.648 1.00 0.00 C ATOM 145 CD GLN A 9 11.886 -8.714 -2.013 1.00 0.00 C ATOM 146 OE1 GLN A 9 11.069 -9.626 -2.138 1.00 0.00 O ATOM 147 NE2 GLN A 9 12.541 -8.193 -3.043 1.00 0.00 N ATOM 0 H GLN A 9 12.243 -6.788 1.442 1.00 0.00 H new ATOM 0 HA GLN A 9 14.627 -8.450 1.162 1.00 0.00 H new ATOM 0 HB2 GLN A 9 13.680 -6.629 -1.009 1.00 0.00 H new ATOM 0 HB3 GLN A 9 14.279 -8.273 -1.109 1.00 0.00 H new ATOM 0 HG2 GLN A 9 12.029 -8.886 0.116 1.00 0.00 H new ATOM 0 HG3 GLN A 9 11.502 -7.311 -0.442 1.00 0.00 H new ATOM 0 HE21 GLN A 9 13.210 -7.438 -2.893 1.00 0.00 H new ATOM 0 HE22 GLN A 9 12.376 -8.548 -3.985 1.00 0.00 H new ATOM 156 N SER A 10 14.664 -5.183 1.312 1.00 0.00 N ATOM 157 CA SER A 10 15.533 -4.018 1.449 1.00 0.00 C ATOM 158 C SER A 10 15.225 -3.247 2.729 1.00 0.00 C ATOM 159 O SER A 10 15.840 -2.218 3.007 1.00 0.00 O ATOM 160 CB SER A 10 15.382 -3.095 0.238 1.00 0.00 C ATOM 161 OG SER A 10 16.648 -2.704 -0.266 1.00 0.00 O ATOM 0 H SER A 10 13.675 -4.993 1.471 1.00 0.00 H new ATOM 0 HA SER A 10 16.562 -4.375 1.502 1.00 0.00 H new ATOM 0 HB2 SER A 10 14.817 -3.604 -0.543 1.00 0.00 H new ATOM 0 HB3 SER A 10 14.810 -2.211 0.520 1.00 0.00 H new ATOM 0 HG SER A 10 16.524 -2.116 -1.040 1.00 0.00 H new ATOM 167 N GLY A 11 14.270 -3.749 3.506 1.00 0.00 N ATOM 168 CA GLY A 11 13.900 -3.093 4.748 1.00 0.00 C ATOM 169 C GLY A 11 13.552 -1.632 4.559 1.00 0.00 C ATOM 170 O GLY A 11 13.534 -0.859 5.516 1.00 0.00 O ATOM 0 H GLY A 11 13.745 -4.599 3.298 1.00 0.00 H new ATOM 0 HA2 GLY A 11 13.047 -3.611 5.187 1.00 0.00 H new ATOM 0 HA3 GLY A 11 14.724 -3.177 5.457 1.00 0.00 H new ATOM 174 N GLU A 12 13.268 -1.261 3.321 1.00 0.00 N ATOM 175 CA GLU A 12 12.905 0.111 2.991 1.00 0.00 C ATOM 176 C GLU A 12 12.916 0.330 1.494 1.00 0.00 C ATOM 177 O GLU A 12 13.723 -0.252 0.769 1.00 0.00 O ATOM 178 CB GLU A 12 13.844 1.104 3.667 1.00 0.00 C ATOM 179 CG GLU A 12 13.742 2.508 3.091 1.00 0.00 C ATOM 180 CD GLU A 12 14.574 3.516 3.860 1.00 0.00 C ATOM 181 OE1 GLU A 12 15.158 3.137 4.897 1.00 0.00 O ATOM 182 OE2 GLU A 12 14.641 4.685 3.425 1.00 0.00 O ATOM 0 H GLU A 12 13.282 -1.895 2.522 1.00 0.00 H new ATOM 0 HA GLU A 12 11.894 0.280 3.361 1.00 0.00 H new ATOM 0 HB2 GLU A 12 13.621 1.138 4.733 1.00 0.00 H new ATOM 0 HB3 GLU A 12 14.870 0.750 3.567 1.00 0.00 H new ATOM 0 HG2 GLU A 12 14.066 2.494 2.050 1.00 0.00 H new ATOM 0 HG3 GLU A 12 12.699 2.824 3.096 1.00 0.00 H new ATOM 189 N TYR A 13 12.006 1.169 1.039 1.00 0.00 N ATOM 190 CA TYR A 13 11.890 1.469 -0.370 1.00 0.00 C ATOM 191 C TYR A 13 11.453 2.911 -0.587 1.00 0.00 C ATOM 192 O TYR A 13 10.415 3.179 -1.192 1.00 0.00 O ATOM 193 CB TYR A 13 10.913 0.496 -0.999 1.00 0.00 C ATOM 194 CG TYR A 13 11.495 -0.880 -1.130 1.00 0.00 C ATOM 195 CD1 TYR A 13 11.622 -1.710 -0.021 1.00 0.00 C ATOM 196 CD2 TYR A 13 11.920 -1.350 -2.358 1.00 0.00 C ATOM 197 CE1 TYR A 13 12.161 -2.981 -0.140 1.00 0.00 C ATOM 198 CE2 TYR A 13 12.460 -2.609 -2.492 1.00 0.00 C ATOM 199 CZ TYR A 13 12.582 -3.426 -1.381 1.00 0.00 C ATOM 200 OH TYR A 13 13.121 -4.684 -1.513 1.00 0.00 O ATOM 0 H TYR A 13 11.333 1.656 1.631 1.00 0.00 H new ATOM 0 HA TYR A 13 12.864 1.357 -0.847 1.00 0.00 H new ATOM 0 HB2 TYR A 13 10.007 0.450 -0.394 1.00 0.00 H new ATOM 0 HB3 TYR A 13 10.621 0.861 -1.984 1.00 0.00 H new ATOM 0 HD1 TYR A 13 11.296 -1.359 0.947 1.00 0.00 H new ATOM 0 HD2 TYR A 13 11.827 -0.718 -3.229 1.00 0.00 H new ATOM 0 HE1 TYR A 13 12.252 -3.618 0.727 1.00 0.00 H new ATOM 0 HE2 TYR A 13 12.787 -2.958 -3.460 1.00 0.00 H new ATOM 0 HH TYR A 13 13.878 -4.652 -2.134 1.00 0.00 H new ATOM 210 N ALA A 14 12.266 3.834 -0.085 1.00 0.00 N ATOM 211 CA ALA A 14 11.984 5.257 -0.213 1.00 0.00 C ATOM 212 C ALA A 14 11.648 5.609 -1.649 1.00 0.00 C ATOM 213 O ALA A 14 12.211 5.043 -2.586 1.00 0.00 O ATOM 214 CB ALA A 14 13.166 6.080 0.276 1.00 0.00 C ATOM 0 H ALA A 14 13.128 3.620 0.416 1.00 0.00 H new ATOM 0 HA ALA A 14 11.119 5.492 0.408 1.00 0.00 H new ATOM 0 HB1 ALA A 14 12.938 7.141 0.173 1.00 0.00 H new ATOM 0 HB2 ALA A 14 13.361 5.851 1.324 1.00 0.00 H new ATOM 0 HB3 ALA A 14 14.048 5.839 -0.318 1.00 0.00 H new ATOM 220 N VAL A 15 10.708 6.525 -1.818 1.00 0.00 N ATOM 221 CA VAL A 15 10.282 6.922 -3.142 1.00 0.00 C ATOM 222 C VAL A 15 9.445 8.184 -3.109 1.00 0.00 C ATOM 223 O VAL A 15 9.566 9.019 -2.216 1.00 0.00 O ATOM 224 CB VAL A 15 9.512 5.759 -3.804 1.00 0.00 C ATOM 225 CG1 VAL A 15 8.091 5.618 -3.274 1.00 0.00 C ATOM 226 CG2 VAL A 15 9.519 5.877 -5.318 1.00 0.00 C ATOM 0 H VAL A 15 10.229 7.004 -1.055 1.00 0.00 H new ATOM 0 HA VAL A 15 11.167 7.150 -3.736 1.00 0.00 H new ATOM 0 HB VAL A 15 10.043 4.847 -3.532 1.00 0.00 H new ATOM 0 HG11 VAL A 15 7.597 4.785 -3.774 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.120 5.431 -2.201 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.538 6.537 -3.467 1.00 0.00 H new ATOM 0 HG21 VAL A 15 8.968 5.042 -5.751 1.00 0.00 H new ATOM 0 HG22 VAL A 15 9.047 6.814 -5.612 1.00 0.00 H new ATOM 0 HG23 VAL A 15 10.547 5.860 -5.680 1.00 0.00 H new ATOM 236 N ASP A 16 8.622 8.317 -4.107 1.00 0.00 N ATOM 237 CA ASP A 16 7.759 9.444 -4.260 1.00 0.00 C ATOM 238 C ASP A 16 6.651 9.070 -5.191 1.00 0.00 C ATOM 239 O ASP A 16 6.735 8.079 -5.908 1.00 0.00 O ATOM 240 CB ASP A 16 8.492 10.604 -4.870 1.00 0.00 C ATOM 241 CG ASP A 16 9.918 10.730 -4.374 1.00 0.00 C ATOM 242 OD1 ASP A 16 10.757 9.890 -4.759 1.00 0.00 O ATOM 243 OD2 ASP A 16 10.196 11.669 -3.597 1.00 0.00 O ATOM 0 H ASP A 16 8.532 7.627 -4.853 1.00 0.00 H new ATOM 0 HA ASP A 16 7.384 9.729 -3.277 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.499 10.493 -5.954 1.00 0.00 H new ATOM 0 HB3 ASP A 16 7.953 11.525 -4.647 1.00 0.00 H new ATOM 248 N ALA A 17 5.620 9.853 -5.174 1.00 0.00 N ATOM 249 CA ALA A 17 4.491 9.588 -6.011 1.00 0.00 C ATOM 250 C ALA A 17 3.879 10.869 -6.543 1.00 0.00 C ATOM 251 O ALA A 17 4.396 11.961 -6.314 1.00 0.00 O ATOM 252 CB ALA A 17 3.515 8.810 -5.184 1.00 0.00 C ATOM 0 H ALA A 17 5.535 10.684 -4.588 1.00 0.00 H new ATOM 0 HA ALA A 17 4.789 9.017 -6.891 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.632 8.583 -5.781 1.00 0.00 H new ATOM 0 HB2 ALA A 17 3.978 7.881 -4.853 1.00 0.00 H new ATOM 0 HB3 ALA A 17 3.223 9.400 -4.315 1.00 0.00 H new ATOM 258 N GLN A 18 2.771 10.729 -7.251 1.00 0.00 N ATOM 259 CA GLN A 18 2.069 11.874 -7.815 1.00 0.00 C ATOM 260 C GLN A 18 0.564 11.682 -7.686 1.00 0.00 C ATOM 261 O GLN A 18 0.029 10.650 -8.090 1.00 0.00 O ATOM 262 CB GLN A 18 2.450 12.070 -9.283 1.00 0.00 C ATOM 263 CG GLN A 18 3.903 11.741 -9.586 1.00 0.00 C ATOM 264 CD GLN A 18 4.289 12.068 -11.015 1.00 0.00 C ATOM 265 OE1 GLN A 18 3.486 11.915 -11.937 1.00 0.00 O ATOM 266 NE2 GLN A 18 5.522 12.521 -11.208 1.00 0.00 N ATOM 0 H GLN A 18 2.335 9.829 -7.451 1.00 0.00 H new ATOM 0 HA GLN A 18 2.362 12.765 -7.260 1.00 0.00 H new ATOM 0 HB2 GLN A 18 1.808 11.444 -9.903 1.00 0.00 H new ATOM 0 HB3 GLN A 18 2.254 13.105 -9.565 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.547 12.296 -8.904 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.078 10.681 -9.400 1.00 0.00 H new ATOM 0 HE21 GLN A 18 6.154 12.632 -10.415 1.00 0.00 H new ATOM 0 HE22 GLN A 18 5.837 12.758 -12.149 1.00 0.00 H new ATOM 275 N ASP A 19 -0.115 12.675 -7.115 1.00 0.00 N ATOM 276 CA ASP A 19 -1.560 12.596 -6.932 1.00 0.00 C ATOM 277 C ASP A 19 -2.207 11.872 -8.096 1.00 0.00 C ATOM 278 O ASP A 19 -2.214 12.354 -9.229 1.00 0.00 O ATOM 279 CB ASP A 19 -2.159 13.989 -6.748 1.00 0.00 C ATOM 280 CG ASP A 19 -1.348 14.847 -5.796 1.00 0.00 C ATOM 281 OD1 ASP A 19 -1.004 14.356 -4.700 1.00 0.00 O ATOM 282 OD2 ASP A 19 -1.056 16.009 -6.147 1.00 0.00 O ATOM 0 H ASP A 19 0.310 13.537 -6.774 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.761 12.024 -6.026 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -2.221 14.485 -7.716 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -3.178 13.896 -6.371 1.00 0.00 H new ATOM 287 N GLY A 20 -2.730 10.690 -7.800 1.00 0.00 N ATOM 288 CA GLY A 20 -3.356 9.875 -8.813 1.00 0.00 C ATOM 289 C GLY A 20 -2.693 8.518 -8.935 1.00 0.00 C ATOM 290 O GLY A 20 -3.062 7.718 -9.794 1.00 0.00 O ATOM 0 H GLY A 20 -2.730 10.281 -6.866 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -4.411 9.743 -8.572 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.310 10.389 -9.773 1.00 0.00 H new ATOM 294 N GLN A 21 -1.716 8.246 -8.063 1.00 0.00 N ATOM 295 CA GLN A 21 -1.024 6.964 -8.085 1.00 0.00 C ATOM 296 C GLN A 21 -1.092 6.298 -6.720 1.00 0.00 C ATOM 297 O GLN A 21 -1.087 6.969 -5.689 1.00 0.00 O ATOM 298 CB GLN A 21 0.433 7.146 -8.495 1.00 0.00 C ATOM 299 CG GLN A 21 0.613 7.832 -9.839 1.00 0.00 C ATOM 300 CD GLN A 21 1.883 8.657 -9.912 1.00 0.00 C ATOM 301 OE1 GLN A 21 2.020 9.533 -10.766 1.00 0.00 O ATOM 302 NE2 GLN A 21 2.824 8.379 -9.020 1.00 0.00 N ATOM 0 H GLN A 21 -1.393 8.892 -7.343 1.00 0.00 H new ATOM 0 HA GLN A 21 -1.520 6.326 -8.817 1.00 0.00 H new ATOM 0 HB2 GLN A 21 0.946 7.728 -7.729 1.00 0.00 H new ATOM 0 HB3 GLN A 21 0.915 6.169 -8.529 1.00 0.00 H new ATOM 0 HG2 GLN A 21 0.629 7.079 -10.627 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -0.245 8.476 -10.031 1.00 0.00 H new ATOM 0 HE21 GLN A 21 2.670 7.645 -8.329 1.00 0.00 H new ATOM 0 HE22 GLN A 21 3.701 8.899 -9.025 1.00 0.00 H new ATOM 311 N SER A 22 -1.156 4.975 -6.720 1.00 0.00 N ATOM 312 CA SER A 22 -1.229 4.223 -5.478 1.00 0.00 C ATOM 313 C SER A 22 0.154 3.761 -5.029 1.00 0.00 C ATOM 314 O SER A 22 1.162 4.084 -5.657 1.00 0.00 O ATOM 315 CB SER A 22 -2.142 3.011 -5.657 1.00 0.00 C ATOM 316 OG SER A 22 -1.969 2.424 -6.935 1.00 0.00 O ATOM 0 H SER A 22 -1.159 4.402 -7.564 1.00 0.00 H new ATOM 0 HA SER A 22 -1.637 4.880 -4.709 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.928 2.274 -4.883 1.00 0.00 H new ATOM 0 HB3 SER A 22 -3.182 3.313 -5.530 1.00 0.00 H new ATOM 0 HG SER A 22 -2.781 2.554 -7.467 1.00 0.00 H new ATOM 322 N LEU A 23 0.191 2.985 -3.947 1.00 0.00 N ATOM 323 CA LEU A 23 1.456 2.458 -3.426 1.00 0.00 C ATOM 324 C LEU A 23 1.785 1.127 -4.082 1.00 0.00 C ATOM 325 O LEU A 23 2.637 0.378 -3.607 1.00 0.00 O ATOM 326 CB LEU A 23 1.391 2.292 -1.907 1.00 0.00 C ATOM 327 CG LEU A 23 1.253 3.595 -1.116 1.00 0.00 C ATOM 328 CD1 LEU A 23 1.879 4.755 -1.874 1.00 0.00 C ATOM 329 CD2 LEU A 23 -0.210 3.886 -0.813 1.00 0.00 C ATOM 0 H LEU A 23 -0.634 2.707 -3.415 1.00 0.00 H new ATOM 0 HA LEU A 23 2.244 3.173 -3.662 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.547 1.646 -1.664 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.292 1.777 -1.575 1.00 0.00 H new ATOM 0 HG LEU A 23 1.784 3.476 -0.172 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.769 5.671 -1.293 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.938 4.554 -2.038 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.379 4.873 -2.836 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.287 4.816 -0.250 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.763 3.980 -1.747 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.629 3.070 -0.224 1.00 0.00 H new ATOM 341 N MET A 24 1.114 0.856 -5.193 1.00 0.00 N ATOM 342 CA MET A 24 1.337 -0.364 -5.947 1.00 0.00 C ATOM 343 C MET A 24 2.142 -0.042 -7.194 1.00 0.00 C ATOM 344 O MET A 24 2.882 -0.879 -7.710 1.00 0.00 O ATOM 345 CB MET A 24 0.007 -1.010 -6.341 1.00 0.00 C ATOM 346 CG MET A 24 -0.715 -0.279 -7.461 1.00 0.00 C ATOM 347 SD MET A 24 -0.149 -0.787 -9.096 1.00 0.00 S ATOM 348 CE MET A 24 -1.699 -0.847 -9.991 1.00 0.00 C ATOM 0 H MET A 24 0.406 1.472 -5.592 1.00 0.00 H new ATOM 0 HA MET A 24 1.887 -1.068 -5.323 1.00 0.00 H new ATOM 0 HB2 MET A 24 0.190 -2.040 -6.649 1.00 0.00 H new ATOM 0 HB3 MET A 24 -0.642 -1.049 -5.466 1.00 0.00 H new ATOM 0 HG2 MET A 24 -1.786 -0.462 -7.378 1.00 0.00 H new ATOM 0 HG3 MET A 24 -0.565 0.794 -7.346 1.00 0.00 H new ATOM 0 HE1 MET A 24 -1.547 -1.346 -10.948 1.00 0.00 H new ATOM 0 HE2 MET A 24 -2.435 -1.399 -9.407 1.00 0.00 H new ATOM 0 HE3 MET A 24 -2.059 0.167 -10.164 1.00 0.00 H new ATOM 358 N GLU A 25 1.985 1.190 -7.668 1.00 0.00 N ATOM 359 CA GLU A 25 2.692 1.644 -8.853 1.00 0.00 C ATOM 360 C GLU A 25 4.017 2.268 -8.497 1.00 0.00 C ATOM 361 O GLU A 25 5.016 2.008 -9.166 1.00 0.00 O ATOM 362 CB GLU A 25 1.842 2.628 -9.658 1.00 0.00 C ATOM 363 CG GLU A 25 0.393 2.201 -9.815 1.00 0.00 C ATOM 364 CD GLU A 25 -0.452 3.257 -10.497 1.00 0.00 C ATOM 365 OE1 GLU A 25 0.092 4.334 -10.822 1.00 0.00 O ATOM 366 OE2 GLU A 25 -1.658 3.009 -10.708 1.00 0.00 O ATOM 0 H GLU A 25 1.373 1.889 -7.247 1.00 0.00 H new ATOM 0 HA GLU A 25 2.884 0.767 -9.472 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.873 3.603 -9.171 1.00 0.00 H new ATOM 0 HB3 GLU A 25 2.284 2.751 -10.647 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.350 1.277 -10.392 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.027 1.983 -8.833 1.00 0.00 H new ATOM 373 N VAL A 26 4.066 3.072 -7.441 1.00 0.00 N ATOM 374 CA VAL A 26 5.342 3.649 -7.087 1.00 0.00 C ATOM 375 C VAL A 26 6.351 2.531 -7.030 1.00 0.00 C ATOM 376 O VAL A 26 7.351 2.521 -7.736 1.00 0.00 O ATOM 377 CB VAL A 26 5.378 4.379 -5.739 1.00 0.00 C ATOM 378 CG1 VAL A 26 6.200 5.616 -5.901 1.00 0.00 C ATOM 379 CG2 VAL A 26 4.024 4.745 -5.224 1.00 0.00 C ATOM 0 H VAL A 26 3.277 3.326 -6.846 1.00 0.00 H new ATOM 0 HA VAL A 26 5.557 4.401 -7.846 1.00 0.00 H new ATOM 0 HB VAL A 26 5.811 3.698 -5.006 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.240 6.153 -4.953 1.00 0.00 H new ATOM 0 HG12 VAL A 26 7.210 5.344 -6.207 1.00 0.00 H new ATOM 0 HG13 VAL A 26 5.750 6.255 -6.661 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.125 5.258 -4.268 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.529 5.403 -5.938 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.429 3.841 -5.090 1.00 0.00 H new ATOM 389 N ALA A 27 6.038 1.581 -6.176 1.00 0.00 N ATOM 390 CA ALA A 27 6.865 0.407 -5.969 1.00 0.00 C ATOM 391 C ALA A 27 7.663 0.042 -7.203 1.00 0.00 C ATOM 392 O ALA A 27 8.871 0.264 -7.270 1.00 0.00 O ATOM 393 CB ALA A 27 6.010 -0.787 -5.580 1.00 0.00 C ATOM 0 H ALA A 27 5.196 1.600 -5.600 1.00 0.00 H new ATOM 0 HA ALA A 27 7.558 0.656 -5.166 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.648 -1.658 -5.429 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.474 -0.566 -4.657 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.293 -0.996 -6.374 1.00 0.00 H new ATOM 399 N THR A 28 6.976 -0.540 -8.173 1.00 0.00 N ATOM 400 CA THR A 28 7.621 -0.962 -9.401 1.00 0.00 C ATOM 401 C THR A 28 8.487 0.163 -9.945 1.00 0.00 C ATOM 402 O THR A 28 9.498 -0.078 -10.606 1.00 0.00 O ATOM 403 CB THR A 28 6.588 -1.398 -10.444 1.00 0.00 C ATOM 404 OG1 THR A 28 6.306 -0.344 -11.347 1.00 0.00 O ATOM 405 CG2 THR A 28 5.272 -1.859 -9.851 1.00 0.00 C ATOM 0 H THR A 28 5.975 -0.730 -8.132 1.00 0.00 H new ATOM 0 HA THR A 28 8.254 -1.821 -9.180 1.00 0.00 H new ATOM 0 HB THR A 28 7.048 -2.245 -10.953 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.645 -0.645 -12.005 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.594 -2.151 -10.653 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.447 -2.712 -9.195 1.00 0.00 H new ATOM 0 HG23 THR A 28 4.827 -1.046 -9.277 1.00 0.00 H new ATOM 413 N GLN A 29 8.099 1.394 -9.638 1.00 0.00 N ATOM 414 CA GLN A 29 8.861 2.559 -10.071 1.00 0.00 C ATOM 415 C GLN A 29 10.050 2.792 -9.141 1.00 0.00 C ATOM 416 O GLN A 29 11.100 3.271 -9.566 1.00 0.00 O ATOM 417 CB GLN A 29 7.972 3.804 -10.131 1.00 0.00 C ATOM 418 CG GLN A 29 6.770 3.649 -11.050 1.00 0.00 C ATOM 419 CD GLN A 29 6.844 4.551 -12.267 1.00 0.00 C ATOM 420 OE1 GLN A 29 6.345 5.676 -12.252 1.00 0.00 O ATOM 421 NE2 GLN A 29 7.469 4.060 -13.330 1.00 0.00 N ATOM 0 H GLN A 29 7.265 1.612 -9.093 1.00 0.00 H new ATOM 0 HA GLN A 29 9.238 2.366 -11.075 1.00 0.00 H new ATOM 0 HB2 GLN A 29 7.623 4.040 -9.126 1.00 0.00 H new ATOM 0 HB3 GLN A 29 8.570 4.651 -10.468 1.00 0.00 H new ATOM 0 HG2 GLN A 29 6.698 2.611 -11.376 1.00 0.00 H new ATOM 0 HG3 GLN A 29 5.860 3.872 -10.492 1.00 0.00 H new ATOM 0 HE21 GLN A 29 7.868 3.122 -13.299 1.00 0.00 H new ATOM 0 HE22 GLN A 29 7.550 4.621 -14.178 1.00 0.00 H new ATOM 430 N ASN A 30 9.875 2.439 -7.871 1.00 0.00 N ATOM 431 CA ASN A 30 10.933 2.596 -6.871 1.00 0.00 C ATOM 432 C ASN A 30 11.824 1.357 -6.826 1.00 0.00 C ATOM 433 O ASN A 30 12.691 1.236 -5.960 1.00 0.00 O ATOM 434 CB ASN A 30 10.320 2.816 -5.482 1.00 0.00 C ATOM 435 CG ASN A 30 8.851 3.180 -5.558 1.00 0.00 C ATOM 436 OD1 ASN A 30 8.439 3.903 -6.456 1.00 0.00 O ATOM 437 ND2 ASN A 30 8.066 2.706 -4.602 1.00 0.00 N ATOM 0 H ASN A 30 9.009 2.041 -7.507 1.00 0.00 H new ATOM 0 HA ASN A 30 11.534 3.461 -7.152 1.00 0.00 H new ATOM 0 HB2 ASN A 30 10.438 1.911 -4.887 1.00 0.00 H new ATOM 0 HB3 ASN A 30 10.863 3.609 -4.968 1.00 0.00 H new ATOM 0 HD21 ASN A 30 7.073 2.940 -4.594 1.00 0.00 H new ATOM 0 HD22 ASN A 30 8.454 2.107 -3.874 1.00 0.00 H new ATOM 444 N GLY A 31 11.586 0.426 -7.745 1.00 0.00 N ATOM 445 CA GLY A 31 12.359 -0.804 -7.768 1.00 0.00 C ATOM 446 C GLY A 31 11.915 -1.750 -6.670 1.00 0.00 C ATOM 447 O GLY A 31 12.577 -2.748 -6.383 1.00 0.00 O ATOM 0 H GLY A 31 10.874 0.500 -8.472 1.00 0.00 H new ATOM 0 HA2 GLY A 31 12.247 -1.289 -8.737 1.00 0.00 H new ATOM 0 HA3 GLY A 31 13.418 -0.574 -7.648 1.00 0.00 H new ATOM 451 N VAL A 32 10.787 -1.414 -6.052 1.00 0.00 N ATOM 452 CA VAL A 32 10.215 -2.190 -4.970 1.00 0.00 C ATOM 453 C VAL A 32 9.762 -3.570 -5.432 1.00 0.00 C ATOM 454 O VAL A 32 9.260 -3.742 -6.542 1.00 0.00 O ATOM 455 CB VAL A 32 9.018 -1.430 -4.385 1.00 0.00 C ATOM 456 CG1 VAL A 32 8.541 -2.000 -3.069 1.00 0.00 C ATOM 457 CG2 VAL A 32 9.352 0.032 -4.212 1.00 0.00 C ATOM 0 H VAL A 32 10.243 -0.586 -6.295 1.00 0.00 H new ATOM 0 HA VAL A 32 10.987 -2.332 -4.214 1.00 0.00 H new ATOM 0 HB VAL A 32 8.204 -1.544 -5.101 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.693 -1.419 -2.707 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.237 -3.037 -3.211 1.00 0.00 H new ATOM 0 HG13 VAL A 32 9.349 -1.956 -2.339 1.00 0.00 H new ATOM 0 HG21 VAL A 32 8.491 0.555 -3.796 1.00 0.00 H new ATOM 0 HG22 VAL A 32 10.200 0.134 -3.535 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.606 0.464 -5.180 1.00 0.00 H new ATOM 467 N PRO A 33 9.943 -4.569 -4.559 1.00 0.00 N ATOM 468 CA PRO A 33 9.578 -5.954 -4.809 1.00 0.00 C ATOM 469 C PRO A 33 8.368 -6.089 -5.723 1.00 0.00 C ATOM 470 O PRO A 33 8.251 -7.050 -6.483 1.00 0.00 O ATOM 471 CB PRO A 33 9.276 -6.486 -3.398 1.00 0.00 C ATOM 472 CG PRO A 33 9.867 -5.488 -2.431 1.00 0.00 C ATOM 473 CD PRO A 33 10.535 -4.418 -3.240 1.00 0.00 C ATOM 0 HA PRO A 33 10.363 -6.504 -5.328 1.00 0.00 H new ATOM 0 HB2 PRO A 33 8.202 -6.588 -3.243 1.00 0.00 H new ATOM 0 HB3 PRO A 33 9.714 -7.474 -3.253 1.00 0.00 H new ATOM 0 HG2 PRO A 33 9.089 -5.061 -1.798 1.00 0.00 H new ATOM 0 HG3 PRO A 33 10.585 -5.973 -1.770 1.00 0.00 H new ATOM 0 HD2 PRO A 33 10.347 -3.427 -2.827 1.00 0.00 H new ATOM 0 HD3 PRO A 33 11.616 -4.552 -3.268 1.00 0.00 H new ATOM 481 N GLY A 34 7.477 -5.116 -5.645 1.00 0.00 N ATOM 482 CA GLY A 34 6.286 -5.125 -6.474 1.00 0.00 C ATOM 483 C GLY A 34 5.382 -6.308 -6.190 1.00 0.00 C ATOM 484 O GLY A 34 4.976 -7.022 -7.106 1.00 0.00 O ATOM 0 H GLY A 34 7.555 -4.314 -5.020 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.730 -4.202 -6.313 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.579 -5.141 -7.524 1.00 0.00 H new ATOM 488 N ILE A 35 5.062 -6.512 -4.918 1.00 0.00 N ATOM 489 CA ILE A 35 4.195 -7.611 -4.518 1.00 0.00 C ATOM 490 C ILE A 35 2.731 -7.191 -4.577 1.00 0.00 C ATOM 491 O ILE A 35 1.996 -7.325 -3.598 1.00 0.00 O ATOM 492 CB ILE A 35 4.526 -8.096 -3.094 1.00 0.00 C ATOM 493 CG1 ILE A 35 6.025 -8.366 -2.962 1.00 0.00 C ATOM 494 CG2 ILE A 35 3.725 -9.347 -2.761 1.00 0.00 C ATOM 495 CD1 ILE A 35 6.578 -8.052 -1.589 1.00 0.00 C ATOM 0 H ILE A 35 5.390 -5.931 -4.147 1.00 0.00 H new ATOM 0 HA ILE A 35 4.367 -8.430 -5.217 1.00 0.00 H new ATOM 0 HB ILE A 35 4.252 -7.314 -2.386 1.00 0.00 H new ATOM 0 HG12 ILE A 35 6.219 -9.414 -3.192 1.00 0.00 H new ATOM 0 HG13 ILE A 35 6.559 -7.773 -3.704 1.00 0.00 H new ATOM 0 HG21 ILE A 35 3.970 -9.678 -1.752 1.00 0.00 H new ATOM 0 HG22 ILE A 35 2.660 -9.124 -2.821 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.971 -10.136 -3.471 1.00 0.00 H new ATOM 0 HD11 ILE A 35 7.646 -8.268 -1.569 1.00 0.00 H new ATOM 0 HD12 ILE A 35 6.416 -6.998 -1.364 1.00 0.00 H new ATOM 0 HD13 ILE A 35 6.070 -8.664 -0.844 1.00 0.00 H new ATOM 507 N VAL A 36 2.316 -6.673 -5.729 1.00 0.00 N ATOM 508 CA VAL A 36 0.942 -6.224 -5.907 1.00 0.00 C ATOM 509 C VAL A 36 0.281 -6.907 -7.106 1.00 0.00 C ATOM 510 O VAL A 36 -0.627 -6.354 -7.727 1.00 0.00 O ATOM 511 CB VAL A 36 0.880 -4.683 -6.058 1.00 0.00 C ATOM 512 CG1 VAL A 36 0.827 -4.253 -7.520 1.00 0.00 C ATOM 513 CG2 VAL A 36 -0.306 -4.129 -5.283 1.00 0.00 C ATOM 0 H VAL A 36 2.910 -6.555 -6.550 1.00 0.00 H new ATOM 0 HA VAL A 36 0.387 -6.507 -5.013 1.00 0.00 H new ATOM 0 HB VAL A 36 1.798 -4.270 -5.641 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.784 -3.165 -7.578 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.718 -4.609 -8.037 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.060 -4.676 -7.992 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.340 -3.045 -5.396 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.228 -4.563 -5.669 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.201 -4.381 -4.228 1.00 0.00 H new ATOM 523 N ALA A 37 0.738 -8.115 -7.417 1.00 0.00 N ATOM 524 CA ALA A 37 0.191 -8.881 -8.532 1.00 0.00 C ATOM 525 C ALA A 37 0.257 -8.093 -9.836 1.00 0.00 C ATOM 526 O ALA A 37 0.758 -6.970 -9.873 1.00 0.00 O ATOM 527 CB ALA A 37 -1.242 -9.293 -8.236 1.00 0.00 C ATOM 0 H ALA A 37 1.488 -8.586 -6.911 1.00 0.00 H new ATOM 0 HA ALA A 37 0.801 -9.777 -8.653 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.637 -9.864 -9.076 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.265 -9.908 -7.336 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -1.852 -8.403 -8.083 1.00 0.00 H new ATOM 533 N GLU A 38 -0.244 -8.701 -10.909 1.00 0.00 N ATOM 534 CA GLU A 38 -0.235 -8.069 -12.223 1.00 0.00 C ATOM 535 C GLU A 38 -1.554 -7.360 -12.522 1.00 0.00 C ATOM 536 O GLU A 38 -1.609 -6.485 -13.387 1.00 0.00 O ATOM 537 CB GLU A 38 0.045 -9.112 -13.305 1.00 0.00 C ATOM 538 CG GLU A 38 0.659 -8.530 -14.567 1.00 0.00 C ATOM 539 CD GLU A 38 2.144 -8.265 -14.422 1.00 0.00 C ATOM 540 OE1 GLU A 38 2.685 -8.506 -13.323 1.00 0.00 O ATOM 541 OE2 GLU A 38 2.767 -7.816 -15.408 1.00 0.00 O ATOM 0 H GLU A 38 -0.661 -9.632 -10.893 1.00 0.00 H new ATOM 0 HA GLU A 38 0.556 -7.319 -12.220 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.715 -9.871 -12.901 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.887 -9.615 -13.563 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.495 -9.217 -15.397 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.150 -7.599 -14.819 1.00 0.00 H new ATOM 548 N CYS A 39 -2.618 -7.740 -11.819 1.00 0.00 N ATOM 549 CA CYS A 39 -3.923 -7.125 -12.044 1.00 0.00 C ATOM 550 C CYS A 39 -3.837 -5.611 -11.862 1.00 0.00 C ATOM 551 O CYS A 39 -4.586 -4.855 -12.482 1.00 0.00 O ATOM 552 CB CYS A 39 -4.987 -7.743 -11.115 1.00 0.00 C ATOM 553 SG CYS A 39 -5.670 -6.627 -9.838 1.00 0.00 S ATOM 0 H CYS A 39 -2.604 -8.461 -11.098 1.00 0.00 H new ATOM 0 HA CYS A 39 -4.228 -7.324 -13.071 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -5.810 -8.109 -11.729 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -4.550 -8.609 -10.618 1.00 0.00 H new ATOM 558 N GLY A 40 -2.911 -5.177 -11.016 1.00 0.00 N ATOM 559 CA GLY A 40 -2.732 -3.758 -10.772 1.00 0.00 C ATOM 560 C GLY A 40 -4.036 -2.981 -10.799 1.00 0.00 C ATOM 561 O GLY A 40 -4.222 -2.101 -11.639 1.00 0.00 O ATOM 0 H GLY A 40 -2.279 -5.784 -10.493 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.253 -3.619 -9.803 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.056 -3.349 -11.523 1.00 0.00 H new ATOM 565 N GLY A 41 -4.932 -3.295 -9.869 1.00 0.00 N ATOM 566 CA GLY A 41 -6.203 -2.597 -9.801 1.00 0.00 C ATOM 567 C GLY A 41 -7.328 -3.322 -10.517 1.00 0.00 C ATOM 568 O GLY A 41 -8.494 -2.950 -10.381 1.00 0.00 O ATOM 0 H GLY A 41 -4.801 -4.019 -9.162 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -6.478 -2.459 -8.755 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -6.087 -1.604 -10.234 1.00 0.00 H new ATOM 572 N SER A 42 -6.987 -4.355 -11.280 1.00 0.00 N ATOM 573 CA SER A 42 -7.991 -5.121 -12.012 1.00 0.00 C ATOM 574 C SER A 42 -8.991 -5.765 -11.057 1.00 0.00 C ATOM 575 O SER A 42 -10.039 -6.253 -11.478 1.00 0.00 O ATOM 576 CB SER A 42 -7.327 -6.197 -12.873 1.00 0.00 C ATOM 577 OG SER A 42 -7.844 -6.186 -14.193 1.00 0.00 O ATOM 0 H SER A 42 -6.029 -4.680 -11.408 1.00 0.00 H new ATOM 0 HA SER A 42 -8.528 -4.430 -12.662 1.00 0.00 H new ATOM 0 HB2 SER A 42 -6.250 -6.032 -12.900 1.00 0.00 H new ATOM 0 HB3 SER A 42 -7.488 -7.177 -12.424 1.00 0.00 H new ATOM 0 HG SER A 42 -7.402 -6.882 -14.723 1.00 0.00 H new ATOM 583 N CYS A 43 -8.659 -5.763 -9.770 1.00 0.00 N ATOM 584 CA CYS A 43 -9.525 -6.346 -8.751 1.00 0.00 C ATOM 585 C CYS A 43 -9.736 -7.836 -9.007 1.00 0.00 C ATOM 586 O CYS A 43 -10.641 -8.451 -8.444 1.00 0.00 O ATOM 587 CB CYS A 43 -10.873 -5.613 -8.709 1.00 0.00 C ATOM 588 SG CYS A 43 -12.162 -6.334 -9.758 1.00 0.00 S ATOM 0 H CYS A 43 -7.794 -5.363 -9.407 1.00 0.00 H new ATOM 0 HA CYS A 43 -9.037 -6.232 -7.783 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -11.230 -5.596 -7.679 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -10.717 -4.577 -9.009 1.00 0.00 H new ATOM 0 HG CYS A 43 -11.647 -6.685 -10.899 1.00 0.00 H new ATOM 594 N VAL A 44 -8.893 -8.407 -9.859 1.00 0.00 N ATOM 595 CA VAL A 44 -8.985 -9.824 -10.189 1.00 0.00 C ATOM 596 C VAL A 44 -8.044 -10.653 -9.321 1.00 0.00 C ATOM 597 O VAL A 44 -7.986 -11.876 -9.447 1.00 0.00 O ATOM 598 CB VAL A 44 -8.661 -10.078 -11.675 1.00 0.00 C ATOM 599 CG1 VAL A 44 -9.358 -9.053 -12.555 1.00 0.00 C ATOM 600 CG2 VAL A 44 -7.158 -10.055 -11.908 1.00 0.00 C ATOM 0 H VAL A 44 -8.139 -7.911 -10.334 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.013 -10.129 -9.995 1.00 0.00 H new ATOM 0 HB VAL A 44 -9.031 -11.068 -11.943 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -9.118 -9.248 -13.600 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -10.436 -9.123 -12.411 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -9.020 -8.052 -12.285 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -6.950 -10.236 -12.963 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.760 -9.081 -11.622 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.685 -10.831 -11.307 1.00 0.00 H new ATOM 610 N CYS A 45 -7.309 -9.982 -8.436 1.00 0.00 N ATOM 611 CA CYS A 45 -6.375 -10.666 -7.550 1.00 0.00 C ATOM 612 C CYS A 45 -6.529 -10.179 -6.112 1.00 0.00 C ATOM 613 O CYS A 45 -7.414 -9.381 -5.806 1.00 0.00 O ATOM 614 CB CYS A 45 -4.931 -10.467 -8.032 1.00 0.00 C ATOM 615 SG CYS A 45 -4.030 -9.097 -7.229 1.00 0.00 S ATOM 0 H CYS A 45 -7.343 -8.970 -8.315 1.00 0.00 H new ATOM 0 HA CYS A 45 -6.606 -11.731 -7.574 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -4.378 -11.392 -7.866 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -4.944 -10.292 -9.108 1.00 0.00 H new ATOM 620 N ALA A 46 -5.656 -10.666 -5.238 1.00 0.00 N ATOM 621 CA ALA A 46 -5.686 -10.283 -3.832 1.00 0.00 C ATOM 622 C ALA A 46 -4.327 -10.510 -3.178 1.00 0.00 C ATOM 623 O ALA A 46 -4.227 -10.648 -1.958 1.00 0.00 O ATOM 624 CB ALA A 46 -6.766 -11.061 -3.098 1.00 0.00 C ATOM 0 H ALA A 46 -4.918 -11.328 -5.479 1.00 0.00 H new ATOM 0 HA ALA A 46 -5.918 -9.220 -3.771 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.778 -10.766 -2.049 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.736 -10.848 -3.546 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.559 -12.129 -3.172 1.00 0.00 H new ATOM 630 N THR A 47 -3.281 -10.546 -3.998 1.00 0.00 N ATOM 631 CA THR A 47 -1.926 -10.755 -3.502 1.00 0.00 C ATOM 632 C THR A 47 -1.218 -9.423 -3.278 1.00 0.00 C ATOM 633 O THR A 47 -0.004 -9.380 -3.077 1.00 0.00 O ATOM 634 CB THR A 47 -1.125 -11.611 -4.484 1.00 0.00 C ATOM 635 OG1 THR A 47 -1.967 -12.129 -5.499 1.00 0.00 O ATOM 636 CG2 THR A 47 -0.426 -12.781 -3.826 1.00 0.00 C ATOM 0 H THR A 47 -3.346 -10.433 -5.010 1.00 0.00 H new ATOM 0 HA THR A 47 -1.993 -11.277 -2.548 1.00 0.00 H new ATOM 0 HB THR A 47 -0.369 -10.944 -4.899 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.436 -12.672 -6.118 1.00 0.00 H new ATOM 0 HG21 THR A 47 0.124 -13.346 -4.578 1.00 0.00 H new ATOM 0 HG22 THR A 47 0.268 -12.412 -3.071 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.165 -13.428 -3.354 1.00 0.00 H new ATOM 644 N CYS A 48 -1.984 -8.339 -3.316 1.00 0.00 N ATOM 645 CA CYS A 48 -1.432 -7.005 -3.115 1.00 0.00 C ATOM 646 C CYS A 48 -1.519 -6.595 -1.651 1.00 0.00 C ATOM 647 O CYS A 48 -1.960 -5.491 -1.331 1.00 0.00 O ATOM 648 CB CYS A 48 -2.169 -5.987 -3.985 1.00 0.00 C ATOM 649 SG CYS A 48 -3.977 -6.192 -4.006 1.00 0.00 S ATOM 0 H CYS A 48 -2.990 -8.358 -3.484 1.00 0.00 H new ATOM 0 HA CYS A 48 -0.382 -7.028 -3.406 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -1.933 -4.984 -3.630 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -1.795 -6.060 -5.006 1.00 0.00 H new ATOM 654 N ARG A 49 -1.097 -7.489 -0.766 1.00 0.00 N ATOM 655 CA ARG A 49 -1.129 -7.219 0.665 1.00 0.00 C ATOM 656 C ARG A 49 -0.023 -6.248 1.062 1.00 0.00 C ATOM 657 O ARG A 49 1.087 -6.658 1.402 1.00 0.00 O ATOM 658 CB ARG A 49 -0.992 -8.520 1.456 1.00 0.00 C ATOM 659 CG ARG A 49 -2.235 -9.393 1.404 1.00 0.00 C ATOM 660 CD ARG A 49 -3.411 -8.727 2.098 1.00 0.00 C ATOM 661 NE ARG A 49 -3.535 -9.152 3.489 1.00 0.00 N ATOM 662 CZ ARG A 49 -3.888 -10.380 3.855 1.00 0.00 C ATOM 663 NH1 ARG A 49 -4.157 -11.297 2.936 1.00 0.00 N ATOM 664 NH2 ARG A 49 -3.973 -10.692 5.142 1.00 0.00 N ATOM 0 H ARG A 49 -0.729 -8.407 -1.014 1.00 0.00 H new ATOM 0 HA ARG A 49 -2.090 -6.761 0.900 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -0.144 -9.085 1.068 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -0.768 -8.282 2.496 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -2.493 -9.599 0.365 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -2.027 -10.353 1.877 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -3.290 -7.644 2.059 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -4.330 -8.965 1.563 1.00 0.00 H new ATOM 0 HE ARG A 49 -3.340 -8.469 4.221 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -4.093 -11.061 1.946 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -4.428 -12.239 3.219 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -3.767 -9.989 5.852 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -4.244 -11.635 5.421 1.00 0.00 H new ATOM 678 N ILE A 50 -0.340 -4.959 1.026 1.00 0.00 N ATOM 679 CA ILE A 50 0.617 -3.925 1.390 1.00 0.00 C ATOM 680 C ILE A 50 0.141 -3.175 2.624 1.00 0.00 C ATOM 681 O ILE A 50 -1.061 -3.068 2.870 1.00 0.00 O ATOM 682 CB ILE A 50 0.837 -2.926 0.237 1.00 0.00 C ATOM 683 CG1 ILE A 50 0.903 -3.667 -1.099 1.00 0.00 C ATOM 684 CG2 ILE A 50 2.110 -2.122 0.464 1.00 0.00 C ATOM 685 CD1 ILE A 50 1.291 -2.781 -2.261 1.00 0.00 C ATOM 0 H ILE A 50 -1.255 -4.606 0.747 1.00 0.00 H new ATOM 0 HA ILE A 50 1.565 -4.418 1.604 1.00 0.00 H new ATOM 0 HB ILE A 50 -0.005 -2.235 0.210 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.622 -4.482 -1.018 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.068 -4.117 -1.304 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.250 -1.422 -0.360 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.029 -1.570 1.400 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.963 -2.798 0.514 1.00 0.00 H new ATOM 0 HD11 ILE A 50 1.318 -3.372 -3.176 1.00 0.00 H new ATOM 0 HD12 ILE A 50 0.559 -1.980 -2.368 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.276 -2.351 -2.078 1.00 0.00 H new ATOM 697 N GLU A 51 1.082 -2.668 3.409 1.00 0.00 N ATOM 698 CA GLU A 51 0.738 -1.947 4.624 1.00 0.00 C ATOM 699 C GLU A 51 1.352 -0.552 4.651 1.00 0.00 C ATOM 700 O GLU A 51 2.573 -0.398 4.610 1.00 0.00 O ATOM 701 CB GLU A 51 1.210 -2.732 5.852 1.00 0.00 C ATOM 702 CG GLU A 51 0.112 -3.542 6.521 1.00 0.00 C ATOM 703 CD GLU A 51 0.505 -4.022 7.904 1.00 0.00 C ATOM 704 OE1 GLU A 51 1.106 -3.229 8.660 1.00 0.00 O ATOM 705 OE2 GLU A 51 0.211 -5.191 8.232 1.00 0.00 O ATOM 0 H GLU A 51 2.083 -2.742 3.227 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.347 -1.840 4.643 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.015 -3.404 5.555 1.00 0.00 H new ATOM 0 HB3 GLU A 51 1.629 -2.035 6.578 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.790 -2.935 6.594 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.132 -4.402 5.897 1.00 0.00 H new ATOM 712 N ILE A 52 0.498 0.461 4.761 1.00 0.00 N ATOM 713 CA ILE A 52 0.953 1.839 4.843 1.00 0.00 C ATOM 714 C ILE A 52 1.668 2.030 6.164 1.00 0.00 C ATOM 715 O ILE A 52 1.277 1.416 7.157 1.00 0.00 O ATOM 716 CB ILE A 52 -0.236 2.813 4.799 1.00 0.00 C ATOM 717 CG1 ILE A 52 -0.958 2.715 3.462 1.00 0.00 C ATOM 718 CG2 ILE A 52 0.230 4.237 5.057 1.00 0.00 C ATOM 719 CD1 ILE A 52 -0.300 3.532 2.386 1.00 0.00 C ATOM 0 H ILE A 52 -0.515 0.350 4.795 1.00 0.00 H new ATOM 0 HA ILE A 52 1.612 2.041 3.998 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.937 2.536 5.586 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.994 1.672 3.149 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.989 3.047 3.585 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.625 4.912 5.022 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.697 4.294 6.040 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.953 4.527 4.294 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.857 3.424 1.455 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.287 4.581 2.682 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.723 3.184 2.239 1.00 0.00 H new ATOM 731 N GLU A 53 2.704 2.861 6.223 1.00 0.00 N ATOM 732 CA GLU A 53 3.366 3.020 7.516 1.00 0.00 C ATOM 733 C GLU A 53 2.300 3.413 8.550 1.00 0.00 C ATOM 734 O GLU A 53 1.209 3.839 8.174 1.00 0.00 O ATOM 735 CB GLU A 53 4.533 4.017 7.450 1.00 0.00 C ATOM 736 CG GLU A 53 4.251 5.360 8.086 1.00 0.00 C ATOM 737 CD GLU A 53 4.791 5.466 9.501 1.00 0.00 C ATOM 738 OE1 GLU A 53 4.120 4.983 10.435 1.00 0.00 O ATOM 739 OE2 GLU A 53 5.889 6.036 9.673 1.00 0.00 O ATOM 0 H GLU A 53 3.085 3.403 5.448 1.00 0.00 H new ATOM 0 HA GLU A 53 3.824 2.078 7.817 1.00 0.00 H new ATOM 0 HB2 GLU A 53 5.401 3.573 7.939 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.801 4.174 6.405 1.00 0.00 H new ATOM 0 HG2 GLU A 53 4.692 6.147 7.474 1.00 0.00 H new ATOM 0 HG3 GLU A 53 3.175 5.532 8.099 1.00 0.00 H new ATOM 746 N ASP A 54 2.581 3.236 9.840 1.00 0.00 N ATOM 747 CA ASP A 54 1.588 3.543 10.882 1.00 0.00 C ATOM 748 C ASP A 54 1.450 5.039 11.173 1.00 0.00 C ATOM 749 O ASP A 54 0.939 5.431 12.221 1.00 0.00 O ATOM 750 CB ASP A 54 1.923 2.789 12.170 1.00 0.00 C ATOM 751 CG ASP A 54 1.345 1.387 12.186 1.00 0.00 C ATOM 752 OD1 ASP A 54 0.119 1.249 11.994 1.00 0.00 O ATOM 753 OD2 ASP A 54 2.118 0.428 12.391 1.00 0.00 O ATOM 0 H ASP A 54 3.473 2.887 10.191 1.00 0.00 H new ATOM 0 HA ASP A 54 0.625 3.212 10.493 1.00 0.00 H new ATOM 0 HB2 ASP A 54 3.006 2.734 12.285 1.00 0.00 H new ATOM 0 HB3 ASP A 54 1.540 3.347 13.025 1.00 0.00 H new ATOM 758 N ALA A 55 1.878 5.862 10.235 1.00 0.00 N ATOM 759 CA ALA A 55 1.780 7.303 10.364 1.00 0.00 C ATOM 760 C ALA A 55 0.801 7.852 9.347 1.00 0.00 C ATOM 761 O ALA A 55 0.268 8.950 9.502 1.00 0.00 O ATOM 762 CB ALA A 55 3.138 7.944 10.139 1.00 0.00 C ATOM 0 H ALA A 55 2.303 5.550 9.362 1.00 0.00 H new ATOM 0 HA ALA A 55 1.431 7.535 11.370 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.051 9.026 10.239 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.845 7.567 10.878 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.495 7.699 9.138 1.00 0.00 H new ATOM 768 N TRP A 56 0.629 7.100 8.267 1.00 0.00 N ATOM 769 CA TRP A 56 -0.216 7.528 7.170 1.00 0.00 C ATOM 770 C TRP A 56 -1.490 6.748 7.018 1.00 0.00 C ATOM 771 O TRP A 56 -2.265 7.025 6.119 1.00 0.00 O ATOM 772 CB TRP A 56 0.573 7.433 5.897 1.00 0.00 C ATOM 773 CG TRP A 56 1.810 8.217 6.017 1.00 0.00 C ATOM 774 CD1 TRP A 56 2.863 7.913 6.808 1.00 0.00 C ATOM 775 CD2 TRP A 56 2.115 9.440 5.370 1.00 0.00 C ATOM 776 NE1 TRP A 56 3.817 8.877 6.716 1.00 0.00 N ATOM 777 CE2 TRP A 56 3.393 9.824 5.824 1.00 0.00 C ATOM 778 CE3 TRP A 56 1.443 10.251 4.441 1.00 0.00 C ATOM 779 CZ2 TRP A 56 4.013 10.983 5.389 1.00 0.00 C ATOM 780 CZ3 TRP A 56 2.073 11.401 4.004 1.00 0.00 C ATOM 781 CH2 TRP A 56 3.341 11.757 4.475 1.00 0.00 C ATOM 0 H TRP A 56 1.067 6.189 8.131 1.00 0.00 H new ATOM 0 HA TRP A 56 -0.519 8.551 7.394 1.00 0.00 H new ATOM 0 HB2 TRP A 56 0.812 6.391 5.683 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -0.022 7.802 5.061 1.00 0.00 H new ATOM 0 HD1 TRP A 56 2.936 7.030 7.425 1.00 0.00 H new ATOM 0 HE1 TRP A 56 4.700 8.892 7.226 1.00 0.00 H new ATOM 0 HE3 TRP A 56 0.462 9.984 4.078 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 4.988 11.268 5.755 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 1.577 12.037 3.285 1.00 0.00 H new ATOM 0 HH2 TRP A 56 3.803 12.663 4.111 1.00 0.00 H new ATOM 792 N VAL A 57 -1.739 5.797 7.871 1.00 0.00 N ATOM 793 CA VAL A 57 -2.965 5.062 7.755 1.00 0.00 C ATOM 794 C VAL A 57 -4.122 5.996 7.989 1.00 0.00 C ATOM 795 O VAL A 57 -5.156 5.922 7.325 1.00 0.00 O ATOM 796 CB VAL A 57 -3.028 3.936 8.757 1.00 0.00 C ATOM 797 CG1 VAL A 57 -4.282 3.137 8.520 1.00 0.00 C ATOM 798 CG2 VAL A 57 -1.773 3.117 8.629 1.00 0.00 C ATOM 0 H VAL A 57 -1.127 5.517 8.637 1.00 0.00 H new ATOM 0 HA VAL A 57 -3.014 4.632 6.754 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.077 4.307 9.781 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.335 2.321 9.241 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -5.152 3.782 8.638 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.268 2.729 7.510 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.799 2.297 9.346 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.703 2.714 7.619 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.906 3.746 8.829 1.00 0.00 H new ATOM 808 N GLU A 58 -3.910 6.906 8.922 1.00 0.00 N ATOM 809 CA GLU A 58 -4.908 7.906 9.234 1.00 0.00 C ATOM 810 C GLU A 58 -4.847 9.005 8.186 1.00 0.00 C ATOM 811 O GLU A 58 -5.686 9.905 8.153 1.00 0.00 O ATOM 812 CB GLU A 58 -4.680 8.485 10.632 1.00 0.00 C ATOM 813 CG GLU A 58 -5.152 7.574 11.753 1.00 0.00 C ATOM 814 CD GLU A 58 -6.642 7.301 11.695 1.00 0.00 C ATOM 815 OE1 GLU A 58 -7.059 6.461 10.870 1.00 0.00 O ATOM 816 OE2 GLU A 58 -7.391 7.927 12.474 1.00 0.00 O ATOM 0 H GLU A 58 -3.056 6.971 9.475 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.896 7.445 9.225 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -3.617 8.688 10.763 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.199 9.441 10.709 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -4.611 6.629 11.700 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -4.907 8.028 12.713 1.00 0.00 H new ATOM 823 N ILE A 59 -3.847 8.899 7.310 1.00 0.00 N ATOM 824 CA ILE A 59 -3.665 9.860 6.228 1.00 0.00 C ATOM 825 C ILE A 59 -4.152 9.253 4.928 1.00 0.00 C ATOM 826 O ILE A 59 -4.726 9.926 4.071 1.00 0.00 O ATOM 827 CB ILE A 59 -2.181 10.243 6.050 1.00 0.00 C ATOM 828 CG1 ILE A 59 -1.777 11.281 7.078 1.00 0.00 C ATOM 829 CG2 ILE A 59 -1.906 10.770 4.645 1.00 0.00 C ATOM 830 CD1 ILE A 59 -0.360 11.119 7.554 1.00 0.00 C ATOM 0 H ILE A 59 -3.150 8.154 7.331 1.00 0.00 H new ATOM 0 HA ILE A 59 -4.233 10.754 6.483 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.587 9.341 6.197 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -1.898 12.275 6.649 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.451 11.219 7.933 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -0.851 11.030 4.554 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.154 10.002 3.913 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -2.515 11.655 4.463 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.132 11.892 8.288 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.240 10.137 8.012 1.00 0.00 H new ATOM 0 HD13 ILE A 59 0.321 11.210 6.708 1.00 0.00 H new ATOM 842 N VAL A 60 -3.878 7.970 4.798 1.00 0.00 N ATOM 843 CA VAL A 60 -4.228 7.213 3.623 1.00 0.00 C ATOM 844 C VAL A 60 -5.598 6.560 3.786 1.00 0.00 C ATOM 845 O VAL A 60 -6.607 7.171 3.442 1.00 0.00 O ATOM 846 CB VAL A 60 -3.142 6.161 3.327 1.00 0.00 C ATOM 847 CG1 VAL A 60 -3.445 5.420 2.035 1.00 0.00 C ATOM 848 CG2 VAL A 60 -1.763 6.824 3.268 1.00 0.00 C ATOM 0 H VAL A 60 -3.401 7.423 5.515 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.286 7.894 2.774 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.138 5.431 4.136 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.665 4.683 1.847 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.407 4.916 2.122 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.481 6.130 1.208 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.005 6.069 3.058 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.754 7.576 2.479 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.547 7.299 4.225 1.00 0.00 H new ATOM 858 N GLY A 61 -5.622 5.336 4.335 1.00 0.00 N ATOM 859 CA GLY A 61 -6.880 4.620 4.556 1.00 0.00 C ATOM 860 C GLY A 61 -8.028 5.158 3.722 1.00 0.00 C ATOM 861 O GLY A 61 -9.110 5.430 4.244 1.00 0.00 O ATOM 0 H GLY A 61 -4.789 4.827 4.631 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.735 3.565 4.325 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -7.146 4.682 5.611 1.00 0.00 H new ATOM 865 N GLU A 62 -7.781 5.347 2.430 1.00 0.00 N ATOM 866 CA GLU A 62 -8.787 5.896 1.530 1.00 0.00 C ATOM 867 C GLU A 62 -9.642 4.821 0.878 1.00 0.00 C ATOM 868 O GLU A 62 -10.725 5.108 0.368 1.00 0.00 O ATOM 869 CB GLU A 62 -8.108 6.733 0.451 1.00 0.00 C ATOM 870 CG GLU A 62 -7.740 8.134 0.906 1.00 0.00 C ATOM 871 CD GLU A 62 -8.707 9.184 0.396 1.00 0.00 C ATOM 872 OE1 GLU A 62 -9.929 8.999 0.569 1.00 0.00 O ATOM 873 OE2 GLU A 62 -8.240 10.191 -0.177 1.00 0.00 O ATOM 0 H GLU A 62 -6.891 5.127 1.983 1.00 0.00 H new ATOM 0 HA GLU A 62 -9.452 6.516 2.131 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.205 6.219 0.120 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.770 6.803 -0.412 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -7.718 8.164 1.995 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.734 8.372 0.560 1.00 0.00 H new ATOM 880 N ALA A 63 -9.158 3.590 0.875 1.00 0.00 N ATOM 881 CA ALA A 63 -9.909 2.505 0.253 1.00 0.00 C ATOM 882 C ALA A 63 -11.353 2.508 0.714 1.00 0.00 C ATOM 883 O ALA A 63 -11.653 2.817 1.868 1.00 0.00 O ATOM 884 CB ALA A 63 -9.311 1.139 0.539 1.00 0.00 C ATOM 0 H ALA A 63 -8.266 3.317 1.287 1.00 0.00 H new ATOM 0 HA ALA A 63 -9.858 2.685 -0.821 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -9.910 0.370 0.052 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -8.291 1.101 0.156 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -9.301 0.964 1.615 1.00 0.00 H new ATOM 890 N ASN A 64 -12.240 2.132 -0.189 1.00 0.00 N ATOM 891 CA ASN A 64 -13.639 2.052 0.101 1.00 0.00 C ATOM 892 C ASN A 64 -13.913 0.761 0.850 1.00 0.00 C ATOM 893 O ASN A 64 -13.021 -0.066 1.042 1.00 0.00 O ATOM 894 CB ASN A 64 -14.429 2.096 -1.215 1.00 0.00 C ATOM 895 CG ASN A 64 -13.805 1.233 -2.295 1.00 0.00 C ATOM 896 OD1 ASN A 64 -13.057 0.299 -2.006 1.00 0.00 O ATOM 897 ND2 ASN A 64 -14.111 1.544 -3.550 1.00 0.00 N ATOM 0 H ASN A 64 -11.998 1.875 -1.146 1.00 0.00 H new ATOM 0 HA ASN A 64 -13.949 2.892 0.722 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -15.451 1.763 -1.033 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -14.487 3.126 -1.566 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -13.721 1.000 -4.320 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -14.736 2.327 -3.744 1.00 0.00 H new ATOM 904 N PRO A 65 -15.153 0.572 1.267 1.00 0.00 N ATOM 905 CA PRO A 65 -15.590 -0.619 1.988 1.00 0.00 C ATOM 906 C PRO A 65 -15.668 -1.839 1.069 1.00 0.00 C ATOM 907 O PRO A 65 -16.204 -2.880 1.451 1.00 0.00 O ATOM 908 CB PRO A 65 -16.991 -0.236 2.500 1.00 0.00 C ATOM 909 CG PRO A 65 -17.131 1.230 2.228 1.00 0.00 C ATOM 910 CD PRO A 65 -16.237 1.515 1.059 1.00 0.00 C ATOM 0 HA PRO A 65 -14.900 -0.898 2.784 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -17.765 -0.806 1.987 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -17.091 -0.449 3.564 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -18.165 1.489 2.002 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -16.838 1.819 3.097 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -16.744 1.350 0.108 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -15.885 2.547 1.057 1.00 0.00 H new ATOM 918 N ASP A 66 -15.124 -1.704 -0.145 1.00 0.00 N ATOM 919 CA ASP A 66 -15.127 -2.792 -1.113 1.00 0.00 C ATOM 920 C ASP A 66 -13.855 -3.616 -0.993 1.00 0.00 C ATOM 921 O ASP A 66 -13.899 -4.841 -0.873 1.00 0.00 O ATOM 922 CB ASP A 66 -15.262 -2.237 -2.533 1.00 0.00 C ATOM 923 CG ASP A 66 -16.555 -1.471 -2.732 1.00 0.00 C ATOM 924 OD1 ASP A 66 -16.985 -0.776 -1.789 1.00 0.00 O ATOM 925 OD2 ASP A 66 -17.138 -1.566 -3.834 1.00 0.00 O ATOM 0 H ASP A 66 -14.677 -0.849 -0.475 1.00 0.00 H new ATOM 0 HA ASP A 66 -15.980 -3.437 -0.904 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -14.418 -1.581 -2.746 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -15.216 -3.059 -3.248 1.00 0.00 H new ATOM 930 N GLU A 67 -12.718 -2.928 -1.026 1.00 0.00 N ATOM 931 CA GLU A 67 -11.423 -3.588 -0.920 1.00 0.00 C ATOM 932 C GLU A 67 -11.261 -4.241 0.447 1.00 0.00 C ATOM 933 O GLU A 67 -10.549 -5.235 0.591 1.00 0.00 O ATOM 934 CB GLU A 67 -10.295 -2.582 -1.159 1.00 0.00 C ATOM 935 CG GLU A 67 -10.621 -1.542 -2.217 1.00 0.00 C ATOM 936 CD GLU A 67 -11.499 -2.091 -3.324 1.00 0.00 C ATOM 937 OE1 GLU A 67 -11.237 -3.223 -3.783 1.00 0.00 O ATOM 938 OE2 GLU A 67 -12.448 -1.389 -3.733 1.00 0.00 O ATOM 0 H GLU A 67 -12.668 -1.914 -1.125 1.00 0.00 H new ATOM 0 HA GLU A 67 -11.372 -4.365 -1.682 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -10.067 -2.075 -0.221 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.396 -3.121 -1.457 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.122 -0.696 -1.747 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -9.694 -1.164 -2.648 1.00 0.00 H new ATOM 945 N ASN A 68 -11.928 -3.676 1.448 1.00 0.00 N ATOM 946 CA ASN A 68 -11.861 -4.204 2.806 1.00 0.00 C ATOM 947 C ASN A 68 -12.837 -5.363 2.991 1.00 0.00 C ATOM 948 O ASN A 68 -12.590 -6.274 3.781 1.00 0.00 O ATOM 949 CB ASN A 68 -12.159 -3.100 3.821 1.00 0.00 C ATOM 950 CG ASN A 68 -12.241 -3.624 5.242 1.00 0.00 C ATOM 951 OD1 ASN A 68 -13.181 -3.321 5.975 1.00 0.00 O ATOM 952 ND2 ASN A 68 -11.252 -4.417 5.638 1.00 0.00 N ATOM 0 H ASN A 68 -12.521 -2.853 1.344 1.00 0.00 H new ATOM 0 HA ASN A 68 -10.851 -4.577 2.974 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -11.382 -2.338 3.763 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -13.100 -2.616 3.561 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -11.253 -4.800 6.583 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -10.491 -4.643 4.997 1.00 0.00 H new ATOM 959 N ASP A 69 -13.946 -5.324 2.256 1.00 0.00 N ATOM 960 CA ASP A 69 -14.955 -6.376 2.341 1.00 0.00 C ATOM 961 C ASP A 69 -14.571 -7.566 1.468 1.00 0.00 C ATOM 962 O ASP A 69 -14.609 -8.713 1.914 1.00 0.00 O ATOM 963 CB ASP A 69 -16.325 -5.839 1.920 1.00 0.00 C ATOM 964 CG ASP A 69 -17.114 -5.285 3.090 1.00 0.00 C ATOM 965 OD1 ASP A 69 -16.520 -5.100 4.174 1.00 0.00 O ATOM 966 OD2 ASP A 69 -18.326 -5.036 2.924 1.00 0.00 O ATOM 0 H ASP A 69 -14.168 -4.578 1.597 1.00 0.00 H new ATOM 0 HA ASP A 69 -15.010 -6.709 3.377 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -16.191 -5.057 1.173 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -16.895 -6.638 1.447 1.00 0.00 H new ATOM 971 N LEU A 70 -14.199 -7.287 0.222 1.00 0.00 N ATOM 972 CA LEU A 70 -13.805 -8.337 -0.711 1.00 0.00 C ATOM 973 C LEU A 70 -12.749 -9.241 -0.085 1.00 0.00 C ATOM 974 O LEU A 70 -12.730 -10.449 -0.321 1.00 0.00 O ATOM 975 CB LEU A 70 -13.267 -7.726 -2.006 1.00 0.00 C ATOM 976 CG LEU A 70 -12.718 -8.733 -3.020 1.00 0.00 C ATOM 977 CD1 LEU A 70 -11.272 -9.077 -2.701 1.00 0.00 C ATOM 978 CD2 LEU A 70 -13.575 -9.989 -3.042 1.00 0.00 C ATOM 0 H LEU A 70 -14.162 -6.344 -0.164 1.00 0.00 H new ATOM 0 HA LEU A 70 -14.686 -8.936 -0.943 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -14.066 -7.156 -2.480 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -12.476 -7.019 -1.755 1.00 0.00 H new ATOM 0 HG LEU A 70 -12.751 -8.278 -4.010 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -10.899 -9.794 -3.432 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -10.666 -8.172 -2.738 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -11.213 -9.512 -1.703 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -13.170 -10.693 -3.768 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -13.574 -10.447 -2.053 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -14.596 -9.728 -3.320 1.00 0.00 H new ATOM 990 N LEU A 71 -11.874 -8.647 0.719 1.00 0.00 N ATOM 991 CA LEU A 71 -10.817 -9.396 1.387 1.00 0.00 C ATOM 992 C LEU A 71 -11.362 -10.099 2.624 1.00 0.00 C ATOM 993 O LEU A 71 -11.100 -11.282 2.846 1.00 0.00 O ATOM 994 CB LEU A 71 -9.669 -8.464 1.779 1.00 0.00 C ATOM 995 CG LEU A 71 -8.306 -8.837 1.194 1.00 0.00 C ATOM 996 CD1 LEU A 71 -8.096 -8.153 -0.148 1.00 0.00 C ATOM 997 CD2 LEU A 71 -7.192 -8.469 2.164 1.00 0.00 C ATOM 0 H LEU A 71 -11.876 -7.648 0.924 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.439 -10.148 0.694 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.919 -7.451 1.462 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -9.589 -8.448 2.866 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.281 -9.915 1.036 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.121 -8.430 -0.549 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.876 -8.466 -0.842 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.140 -7.072 -0.016 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.229 -8.741 1.732 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.214 -7.396 2.354 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.334 -9.006 3.102 1.00 0.00 H new ATOM 1009 N GLN A 72 -12.127 -9.365 3.425 1.00 0.00 N ATOM 1010 CA GLN A 72 -12.714 -9.918 4.638 1.00 0.00 C ATOM 1011 C GLN A 72 -13.500 -11.186 4.325 1.00 0.00 C ATOM 1012 O GLN A 72 -13.626 -12.076 5.166 1.00 0.00 O ATOM 1013 CB GLN A 72 -13.629 -8.886 5.302 1.00 0.00 C ATOM 1014 CG GLN A 72 -12.983 -8.154 6.469 1.00 0.00 C ATOM 1015 CD GLN A 72 -11.469 -8.122 6.382 1.00 0.00 C ATOM 1016 OE1 GLN A 72 -10.775 -8.671 7.239 1.00 0.00 O ATOM 1017 NE2 GLN A 72 -10.947 -7.477 5.346 1.00 0.00 N ATOM 0 H GLN A 72 -12.355 -8.385 3.255 1.00 0.00 H new ATOM 0 HA GLN A 72 -11.906 -10.170 5.325 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -13.940 -8.156 4.555 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -14.531 -9.387 5.654 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -13.361 -7.132 6.504 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -13.278 -8.636 7.401 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -11.559 -7.036 4.659 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -9.934 -7.422 5.237 1.00 0.00 H new ATOM 1026 N SER A 73 -14.024 -11.262 3.105 1.00 0.00 N ATOM 1027 CA SER A 73 -14.791 -12.425 2.676 1.00 0.00 C ATOM 1028 C SER A 73 -13.947 -13.690 2.774 1.00 0.00 C ATOM 1029 O SER A 73 -14.475 -14.800 2.844 1.00 0.00 O ATOM 1030 CB SER A 73 -15.285 -12.235 1.240 1.00 0.00 C ATOM 1031 OG SER A 73 -16.671 -12.511 1.134 1.00 0.00 O ATOM 0 H SER A 73 -13.931 -10.533 2.398 1.00 0.00 H new ATOM 0 HA SER A 73 -15.653 -12.530 3.336 1.00 0.00 H new ATOM 0 HB2 SER A 73 -15.090 -11.212 0.918 1.00 0.00 H new ATOM 0 HB3 SER A 73 -14.729 -12.892 0.571 1.00 0.00 H new ATOM 0 HG SER A 73 -16.961 -12.380 0.207 1.00 0.00 H new ATOM 1037 N THR A 74 -12.628 -13.511 2.783 1.00 0.00 N ATOM 1038 CA THR A 74 -11.703 -14.635 2.875 1.00 0.00 C ATOM 1039 C THR A 74 -11.554 -15.096 4.320 1.00 0.00 C ATOM 1040 O THR A 74 -11.406 -16.287 4.591 1.00 0.00 O ATOM 1041 CB THR A 74 -10.336 -14.242 2.311 1.00 0.00 C ATOM 1042 OG1 THR A 74 -9.641 -13.407 3.220 1.00 0.00 O ATOM 1043 CG2 THR A 74 -10.423 -13.511 0.989 1.00 0.00 C ATOM 0 H THR A 74 -12.177 -12.598 2.728 1.00 0.00 H new ATOM 0 HA THR A 74 -12.109 -15.459 2.288 1.00 0.00 H new ATOM 0 HB THR A 74 -9.806 -15.181 2.154 1.00 0.00 H new ATOM 0 HG1 THR A 74 -9.786 -12.468 2.978 1.00 0.00 H new ATOM 0 HG21 THR A 74 -9.419 -13.261 0.645 1.00 0.00 H new ATOM 0 HG22 THR A 74 -10.911 -14.149 0.252 1.00 0.00 H new ATOM 0 HG23 THR A 74 -11.001 -12.596 1.117 1.00 0.00 H new ATOM 1051 N GLY A 75 -11.594 -14.142 5.245 1.00 0.00 N ATOM 1052 CA GLY A 75 -11.462 -14.466 6.653 1.00 0.00 C ATOM 1053 C GLY A 75 -10.016 -14.581 7.093 1.00 0.00 C ATOM 1054 O GLY A 75 -9.680 -15.415 7.935 1.00 0.00 O ATOM 0 H GLY A 75 -11.716 -13.149 5.044 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -11.958 -13.698 7.247 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -11.975 -15.406 6.855 1.00 0.00 H new ATOM 1058 N GLU A 76 -9.157 -13.742 6.524 1.00 0.00 N ATOM 1059 CA GLU A 76 -7.737 -13.753 6.864 1.00 0.00 C ATOM 1060 C GLU A 76 -7.427 -12.723 7.945 1.00 0.00 C ATOM 1061 O GLU A 76 -8.172 -11.761 8.133 1.00 0.00 O ATOM 1062 CB GLU A 76 -6.894 -13.473 5.619 1.00 0.00 C ATOM 1063 CG GLU A 76 -6.531 -14.727 4.840 1.00 0.00 C ATOM 1064 CD GLU A 76 -5.289 -15.407 5.379 1.00 0.00 C ATOM 1065 OE1 GLU A 76 -4.176 -15.028 4.959 1.00 0.00 O ATOM 1066 OE2 GLU A 76 -5.429 -16.319 6.220 1.00 0.00 O ATOM 0 H GLU A 76 -9.418 -13.046 5.826 1.00 0.00 H new ATOM 0 HA GLU A 76 -7.488 -14.742 7.250 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.440 -12.793 4.965 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.979 -12.962 5.917 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -7.367 -15.426 4.873 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -6.374 -14.467 3.793 1.00 0.00 H new ATOM 1073 N PRO A 77 -6.315 -12.915 8.671 1.00 0.00 N ATOM 1074 CA PRO A 77 -5.898 -12.003 9.742 1.00 0.00 C ATOM 1075 C PRO A 77 -5.703 -10.575 9.244 1.00 0.00 C ATOM 1076 O PRO A 77 -5.461 -10.347 8.059 1.00 0.00 O ATOM 1077 CB PRO A 77 -4.565 -12.589 10.227 1.00 0.00 C ATOM 1078 CG PRO A 77 -4.122 -13.515 9.144 1.00 0.00 C ATOM 1079 CD PRO A 77 -5.378 -14.034 8.506 1.00 0.00 C ATOM 0 HA PRO A 77 -6.652 -11.932 10.526 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.829 -11.803 10.397 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -4.689 -13.119 11.171 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -3.500 -12.995 8.415 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -3.524 -14.331 9.549 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -5.225 -14.282 7.456 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -5.737 -14.938 8.998 1.00 0.00 H new ATOM 1087 N MET A 78 -5.810 -9.618 10.159 1.00 0.00 N ATOM 1088 CA MET A 78 -5.646 -8.209 9.819 1.00 0.00 C ATOM 1089 C MET A 78 -4.806 -7.491 10.869 1.00 0.00 C ATOM 1090 O MET A 78 -4.585 -8.010 11.963 1.00 0.00 O ATOM 1091 CB MET A 78 -7.010 -7.529 9.692 1.00 0.00 C ATOM 1092 CG MET A 78 -7.487 -7.380 8.258 1.00 0.00 C ATOM 1093 SD MET A 78 -7.571 -5.656 7.732 1.00 0.00 S ATOM 1094 CE MET A 78 -7.720 -5.848 5.957 1.00 0.00 C ATOM 0 H MET A 78 -6.010 -9.793 11.144 1.00 0.00 H new ATOM 0 HA MET A 78 -5.129 -8.152 8.861 1.00 0.00 H new ATOM 0 HB2 MET A 78 -7.747 -8.105 10.253 1.00 0.00 H new ATOM 0 HB3 MET A 78 -6.959 -6.543 10.153 1.00 0.00 H new ATOM 0 HG2 MET A 78 -6.814 -7.926 7.596 1.00 0.00 H new ATOM 0 HG3 MET A 78 -8.472 -7.835 8.157 1.00 0.00 H new ATOM 0 HE1 MET A 78 -7.076 -5.125 5.457 1.00 0.00 H new ATOM 0 HE2 MET A 78 -7.420 -6.857 5.674 1.00 0.00 H new ATOM 0 HE3 MET A 78 -8.755 -5.679 5.658 1.00 0.00 H new ATOM 1104 N THR A 79 -4.338 -6.294 10.530 1.00 0.00 N ATOM 1105 CA THR A 79 -3.523 -5.505 11.447 1.00 0.00 C ATOM 1106 C THR A 79 -3.816 -4.015 11.296 1.00 0.00 C ATOM 1107 O THR A 79 -4.844 -3.627 10.742 1.00 0.00 O ATOM 1108 CB THR A 79 -2.037 -5.769 11.198 1.00 0.00 C ATOM 1109 OG1 THR A 79 -1.524 -4.866 10.235 1.00 0.00 O ATOM 1110 CG2 THR A 79 -1.751 -7.173 10.710 1.00 0.00 C ATOM 0 H THR A 79 -4.509 -5.849 9.628 1.00 0.00 H new ATOM 0 HA THR A 79 -3.775 -5.805 12.464 1.00 0.00 H new ATOM 0 HB THR A 79 -1.553 -5.634 12.165 1.00 0.00 H new ATOM 0 HG1 THR A 79 -2.011 -4.975 9.392 1.00 0.00 H new ATOM 0 HG21 THR A 79 -0.679 -7.292 10.553 1.00 0.00 H new ATOM 0 HG22 THR A 79 -2.092 -7.893 11.454 1.00 0.00 H new ATOM 0 HG23 THR A 79 -2.276 -7.346 9.771 1.00 0.00 H new ATOM 1118 N ALA A 80 -2.902 -3.187 11.792 1.00 0.00 N ATOM 1119 CA ALA A 80 -3.058 -1.739 11.714 1.00 0.00 C ATOM 1120 C ALA A 80 -2.435 -1.183 10.438 1.00 0.00 C ATOM 1121 O ALA A 80 -1.266 -1.434 10.144 1.00 0.00 O ATOM 1122 CB ALA A 80 -2.439 -1.076 12.936 1.00 0.00 C ATOM 0 H ALA A 80 -2.045 -3.494 12.252 1.00 0.00 H new ATOM 0 HA ALA A 80 -4.125 -1.516 11.691 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -2.562 0.005 12.865 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -2.934 -1.439 13.837 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -1.377 -1.318 12.982 1.00 0.00 H new ATOM 1128 N GLY A 81 -3.223 -0.421 9.687 1.00 0.00 N ATOM 1129 CA GLY A 81 -2.735 0.167 8.454 1.00 0.00 C ATOM 1130 C GLY A 81 -2.919 -0.741 7.255 1.00 0.00 C ATOM 1131 O GLY A 81 -2.854 -0.287 6.112 1.00 0.00 O ATOM 0 H GLY A 81 -4.193 -0.200 9.911 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -3.256 1.107 8.275 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -1.677 0.405 8.564 1.00 0.00 H new ATOM 1135 N THR A 82 -3.153 -2.021 7.511 1.00 0.00 N ATOM 1136 CA THR A 82 -3.354 -2.986 6.435 1.00 0.00 C ATOM 1137 C THR A 82 -4.545 -2.582 5.574 1.00 0.00 C ATOM 1138 O THR A 82 -5.635 -2.331 6.086 1.00 0.00 O ATOM 1139 CB THR A 82 -3.565 -4.389 7.005 1.00 0.00 C ATOM 1140 OG1 THR A 82 -3.128 -4.454 8.351 1.00 0.00 O ATOM 1141 CG2 THR A 82 -2.831 -5.461 6.230 1.00 0.00 C ATOM 0 H THR A 82 -3.208 -2.416 8.450 1.00 0.00 H new ATOM 0 HA THR A 82 -2.460 -2.996 5.811 1.00 0.00 H new ATOM 0 HB THR A 82 -4.636 -4.577 6.930 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.843 -4.138 8.943 1.00 0.00 H new ATOM 0 HG21 THR A 82 -3.021 -6.433 6.685 1.00 0.00 H new ATOM 0 HG22 THR A 82 -3.181 -5.468 5.198 1.00 0.00 H new ATOM 0 HG23 THR A 82 -1.761 -5.255 6.248 1.00 0.00 H new ATOM 1149 N ARG A 83 -4.328 -2.508 4.265 1.00 0.00 N ATOM 1150 CA ARG A 83 -5.386 -2.116 3.342 1.00 0.00 C ATOM 1151 C ARG A 83 -4.987 -2.412 1.899 1.00 0.00 C ATOM 1152 O ARG A 83 -3.852 -2.803 1.627 1.00 0.00 O ATOM 1153 CB ARG A 83 -5.676 -0.623 3.502 1.00 0.00 C ATOM 1154 CG ARG A 83 -7.149 -0.258 3.419 1.00 0.00 C ATOM 1155 CD ARG A 83 -7.334 1.245 3.267 1.00 0.00 C ATOM 1156 NE ARG A 83 -6.681 1.748 2.057 1.00 0.00 N ATOM 1157 CZ ARG A 83 -5.394 2.092 2.009 1.00 0.00 C ATOM 1158 NH1 ARG A 83 -4.660 2.087 3.114 1.00 0.00 N ATOM 1159 NH2 ARG A 83 -4.836 2.436 0.857 1.00 0.00 N ATOM 0 H ARG A 83 -3.433 -2.713 3.821 1.00 0.00 H new ATOM 0 HA ARG A 83 -6.281 -2.692 3.575 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -5.285 -0.290 4.464 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -5.134 -0.075 2.731 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -7.607 -0.771 2.573 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -7.663 -0.602 4.317 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -8.398 1.480 3.231 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -6.925 1.753 4.140 1.00 0.00 H new ATOM 0 HE ARG A 83 -7.239 1.840 1.208 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -5.080 1.819 4.004 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -3.676 2.351 3.074 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -5.392 2.438 0.002 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -3.851 2.698 0.826 1.00 0.00 H new ATOM 1173 N LEU A 84 -5.923 -2.213 0.975 1.00 0.00 N ATOM 1174 CA LEU A 84 -5.659 -2.450 -0.440 1.00 0.00 C ATOM 1175 C LEU A 84 -4.799 -1.327 -1.012 1.00 0.00 C ATOM 1176 O LEU A 84 -5.271 -0.206 -1.204 1.00 0.00 O ATOM 1177 CB LEU A 84 -6.972 -2.559 -1.220 1.00 0.00 C ATOM 1178 CG LEU A 84 -6.988 -3.632 -2.312 1.00 0.00 C ATOM 1179 CD1 LEU A 84 -7.674 -4.894 -1.813 1.00 0.00 C ATOM 1180 CD2 LEU A 84 -7.677 -3.108 -3.563 1.00 0.00 C ATOM 0 H LEU A 84 -6.868 -1.889 1.180 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.119 -3.392 -0.537 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -7.779 -2.765 -0.517 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -7.187 -1.593 -1.677 1.00 0.00 H new ATOM 0 HG LEU A 84 -5.957 -3.880 -2.565 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -7.675 -5.644 -2.604 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -7.138 -5.281 -0.946 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -8.701 -4.663 -1.531 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -7.679 -3.884 -4.329 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -8.704 -2.831 -3.324 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -7.142 -2.234 -3.934 1.00 0.00 H new ATOM 1192 N SER A 85 -3.532 -1.632 -1.268 1.00 0.00 N ATOM 1193 CA SER A 85 -2.600 -0.645 -1.800 1.00 0.00 C ATOM 1194 C SER A 85 -2.951 -0.253 -3.232 1.00 0.00 C ATOM 1195 O SER A 85 -2.704 0.875 -3.646 1.00 0.00 O ATOM 1196 CB SER A 85 -1.172 -1.187 -1.748 1.00 0.00 C ATOM 1197 OG SER A 85 -0.314 -0.298 -1.053 1.00 0.00 O ATOM 0 H SER A 85 -3.126 -2.555 -1.116 1.00 0.00 H new ATOM 0 HA SER A 85 -2.675 0.247 -1.178 1.00 0.00 H new ATOM 0 HB2 SER A 85 -1.167 -2.160 -1.257 1.00 0.00 H new ATOM 0 HB3 SER A 85 -0.800 -1.339 -2.761 1.00 0.00 H new ATOM 0 HG SER A 85 -0.639 -0.179 -0.136 1.00 0.00 H new ATOM 1203 N CYS A 86 -3.521 -1.187 -3.985 1.00 0.00 N ATOM 1204 CA CYS A 86 -3.890 -0.923 -5.374 1.00 0.00 C ATOM 1205 C CYS A 86 -5.278 -0.297 -5.476 1.00 0.00 C ATOM 1206 O CYS A 86 -5.989 -0.511 -6.458 1.00 0.00 O ATOM 1207 CB CYS A 86 -3.836 -2.212 -6.201 1.00 0.00 C ATOM 1208 SG CYS A 86 -5.345 -3.235 -6.106 1.00 0.00 S ATOM 0 H CYS A 86 -3.737 -2.130 -3.661 1.00 0.00 H new ATOM 0 HA CYS A 86 -3.167 -0.212 -5.774 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -3.653 -1.952 -7.244 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -2.987 -2.808 -5.867 1.00 0.00 H new ATOM 1213 N GLN A 87 -5.668 0.471 -4.462 1.00 0.00 N ATOM 1214 CA GLN A 87 -6.980 1.107 -4.465 1.00 0.00 C ATOM 1215 C GLN A 87 -6.910 2.593 -4.116 1.00 0.00 C ATOM 1216 O GLN A 87 -7.828 3.346 -4.442 1.00 0.00 O ATOM 1217 CB GLN A 87 -7.918 0.394 -3.491 1.00 0.00 C ATOM 1218 CG GLN A 87 -9.334 0.950 -3.498 1.00 0.00 C ATOM 1219 CD GLN A 87 -10.221 0.272 -4.525 1.00 0.00 C ATOM 1220 OE1 GLN A 87 -9.820 -0.701 -5.162 1.00 0.00 O ATOM 1221 NE2 GLN A 87 -11.435 0.785 -4.688 1.00 0.00 N ATOM 0 H GLN A 87 -5.101 0.666 -3.637 1.00 0.00 H new ATOM 0 HA GLN A 87 -7.369 1.025 -5.480 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -7.951 -0.666 -3.741 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -7.510 0.472 -2.483 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -9.773 0.829 -2.508 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -9.299 2.020 -3.703 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -11.725 1.593 -4.138 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -12.077 0.371 -5.364 1.00 0.00 H new ATOM 1230 N VAL A 88 -5.842 3.022 -3.444 1.00 0.00 N ATOM 1231 CA VAL A 88 -5.718 4.416 -3.063 1.00 0.00 C ATOM 1232 C VAL A 88 -4.672 5.137 -3.893 1.00 0.00 C ATOM 1233 O VAL A 88 -3.545 4.673 -4.026 1.00 0.00 O ATOM 1234 CB VAL A 88 -5.368 4.540 -1.577 1.00 0.00 C ATOM 1235 CG1 VAL A 88 -4.835 5.925 -1.265 1.00 0.00 C ATOM 1236 CG2 VAL A 88 -6.588 4.210 -0.745 1.00 0.00 C ATOM 0 H VAL A 88 -5.063 2.428 -3.158 1.00 0.00 H new ATOM 0 HA VAL A 88 -6.684 4.886 -3.249 1.00 0.00 H new ATOM 0 HB VAL A 88 -4.579 3.830 -1.329 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -4.593 5.991 -0.204 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -3.937 6.111 -1.855 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -5.591 6.670 -1.512 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -6.341 4.298 0.313 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -7.393 4.903 -0.989 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -6.910 3.191 -0.959 1.00 0.00 H new ATOM 1246 N PHE A 89 -5.063 6.275 -4.453 1.00 0.00 N ATOM 1247 CA PHE A 89 -4.173 7.070 -5.283 1.00 0.00 C ATOM 1248 C PHE A 89 -3.779 8.378 -4.614 1.00 0.00 C ATOM 1249 O PHE A 89 -4.617 9.114 -4.093 1.00 0.00 O ATOM 1250 CB PHE A 89 -4.840 7.343 -6.624 1.00 0.00 C ATOM 1251 CG PHE A 89 -5.325 6.090 -7.275 1.00 0.00 C ATOM 1252 CD1 PHE A 89 -4.818 4.870 -6.863 1.00 0.00 C ATOM 1253 CD2 PHE A 89 -6.279 6.120 -8.282 1.00 0.00 C ATOM 1254 CE1 PHE A 89 -5.251 3.688 -7.442 1.00 0.00 C ATOM 1255 CE2 PHE A 89 -6.721 4.944 -8.869 1.00 0.00 C ATOM 1256 CZ PHE A 89 -6.205 3.725 -8.449 1.00 0.00 C ATOM 0 H PHE A 89 -5.998 6.668 -4.345 1.00 0.00 H new ATOM 0 HA PHE A 89 -3.256 6.500 -5.434 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.679 8.024 -6.479 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -4.133 7.844 -7.285 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -4.075 4.839 -6.080 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -6.681 7.067 -8.611 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.848 2.742 -7.111 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -7.465 4.976 -9.651 1.00 0.00 H new ATOM 0 HZ PHE A 89 -6.546 2.807 -8.905 1.00 0.00 H new ATOM 1266 N ILE A 90 -2.487 8.648 -4.654 1.00 0.00 N ATOM 1267 CA ILE A 90 -1.909 9.845 -4.086 1.00 0.00 C ATOM 1268 C ILE A 90 -2.808 11.067 -4.273 1.00 0.00 C ATOM 1269 O ILE A 90 -3.702 11.078 -5.119 1.00 0.00 O ATOM 1270 CB ILE A 90 -0.540 10.088 -4.741 1.00 0.00 C ATOM 1271 CG1 ILE A 90 0.434 8.993 -4.318 1.00 0.00 C ATOM 1272 CG2 ILE A 90 0.026 11.439 -4.375 1.00 0.00 C ATOM 1273 CD1 ILE A 90 1.307 9.397 -3.146 1.00 0.00 C ATOM 0 H ILE A 90 -1.802 8.030 -5.089 1.00 0.00 H new ATOM 0 HA ILE A 90 -1.798 9.697 -3.012 1.00 0.00 H new ATOM 0 HB ILE A 90 -0.680 10.066 -5.822 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -0.128 8.097 -4.054 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.069 8.733 -5.165 1.00 0.00 H new ATOM 0 HG21 ILE A 90 0.994 11.571 -4.858 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -0.656 12.221 -4.708 1.00 0.00 H new ATOM 0 HG23 ILE A 90 0.149 11.501 -3.294 1.00 0.00 H new ATOM 0 HD11 ILE A 90 1.978 8.576 -2.892 1.00 0.00 H new ATOM 0 HD12 ILE A 90 1.893 10.276 -3.415 1.00 0.00 H new ATOM 0 HD13 ILE A 90 0.678 9.630 -2.287 1.00 0.00 H new ATOM 1285 N ASP A 91 -2.554 12.092 -3.466 1.00 0.00 N ATOM 1286 CA ASP A 91 -3.302 13.328 -3.494 1.00 0.00 C ATOM 1287 C ASP A 91 -2.689 14.226 -2.427 1.00 0.00 C ATOM 1288 O ASP A 91 -1.887 13.747 -1.625 1.00 0.00 O ATOM 1289 CB ASP A 91 -4.787 13.033 -3.203 1.00 0.00 C ATOM 1290 CG ASP A 91 -5.203 13.371 -1.781 1.00 0.00 C ATOM 1291 OD1 ASP A 91 -5.291 14.574 -1.457 1.00 0.00 O ATOM 1292 OD2 ASP A 91 -5.441 12.432 -0.992 1.00 0.00 O ATOM 0 H ASP A 91 -1.811 12.080 -2.767 1.00 0.00 H new ATOM 0 HA ASP A 91 -3.256 13.818 -4.467 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -5.405 13.600 -3.899 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -4.983 11.977 -3.390 1.00 0.00 H new ATOM 1297 N PRO A 92 -3.034 15.514 -2.369 1.00 0.00 N ATOM 1298 CA PRO A 92 -2.491 16.431 -1.357 1.00 0.00 C ATOM 1299 C PRO A 92 -2.945 16.033 0.048 1.00 0.00 C ATOM 1300 O PRO A 92 -3.368 16.865 0.850 1.00 0.00 O ATOM 1301 CB PRO A 92 -3.060 17.797 -1.767 1.00 0.00 C ATOM 1302 CG PRO A 92 -3.510 17.611 -3.181 1.00 0.00 C ATOM 1303 CD PRO A 92 -3.959 16.182 -3.270 1.00 0.00 C ATOM 0 HA PRO A 92 -1.402 16.425 -1.318 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -3.889 18.090 -1.123 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -2.305 18.580 -1.691 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -4.322 18.294 -3.428 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -2.699 17.813 -3.881 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -4.995 16.060 -2.954 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -3.888 15.795 -4.287 1.00 0.00 H new ATOM 1311 N SER A 93 -2.850 14.734 0.312 1.00 0.00 N ATOM 1312 CA SER A 93 -3.234 14.137 1.579 1.00 0.00 C ATOM 1313 C SER A 93 -2.236 13.042 1.959 1.00 0.00 C ATOM 1314 O SER A 93 -1.911 12.851 3.131 1.00 0.00 O ATOM 1315 CB SER A 93 -4.623 13.520 1.442 1.00 0.00 C ATOM 1316 OG SER A 93 -4.540 12.112 1.298 1.00 0.00 O ATOM 0 H SER A 93 -2.497 14.057 -0.364 1.00 0.00 H new ATOM 0 HA SER A 93 -3.241 14.905 2.352 1.00 0.00 H new ATOM 0 HB2 SER A 93 -5.222 13.765 2.319 1.00 0.00 H new ATOM 0 HB3 SER A 93 -5.132 13.948 0.579 1.00 0.00 H new ATOM 0 HG SER A 93 -5.091 11.828 0.539 1.00 0.00 H new ATOM 1322 N MET A 94 -1.765 12.322 0.939 1.00 0.00 N ATOM 1323 CA MET A 94 -0.817 11.236 1.101 1.00 0.00 C ATOM 1324 C MET A 94 0.490 11.594 0.417 1.00 0.00 C ATOM 1325 O MET A 94 1.074 10.782 -0.301 1.00 0.00 O ATOM 1326 CB MET A 94 -1.393 9.968 0.475 1.00 0.00 C ATOM 1327 CG MET A 94 -2.542 9.375 1.267 1.00 0.00 C ATOM 1328 SD MET A 94 -3.644 8.365 0.258 1.00 0.00 S ATOM 1329 CE MET A 94 -2.464 7.488 -0.764 1.00 0.00 C ATOM 0 H MET A 94 -2.039 12.484 -0.030 1.00 0.00 H new ATOM 0 HA MET A 94 -0.632 11.068 2.162 1.00 0.00 H new ATOM 0 HB2 MET A 94 -1.735 10.193 -0.535 1.00 0.00 H new ATOM 0 HB3 MET A 94 -0.601 9.224 0.385 1.00 0.00 H new ATOM 0 HG2 MET A 94 -2.142 8.767 2.078 1.00 0.00 H new ATOM 0 HG3 MET A 94 -3.115 10.181 1.725 1.00 0.00 H new ATOM 0 HE1 MET A 94 -2.593 7.784 -1.805 1.00 0.00 H new ATOM 0 HE2 MET A 94 -1.452 7.731 -0.441 1.00 0.00 H new ATOM 0 HE3 MET A 94 -2.628 6.415 -0.669 1.00 0.00 H new ATOM 1339 N ASP A 95 0.938 12.819 0.642 1.00 0.00 N ATOM 1340 CA ASP A 95 2.148 13.303 0.061 1.00 0.00 C ATOM 1341 C ASP A 95 3.293 13.001 0.997 1.00 0.00 C ATOM 1342 O ASP A 95 3.218 13.293 2.189 1.00 0.00 O ATOM 1343 CB ASP A 95 2.019 14.805 -0.214 1.00 0.00 C ATOM 1344 CG ASP A 95 0.580 15.224 -0.439 1.00 0.00 C ATOM 1345 OD1 ASP A 95 0.069 15.002 -1.556 1.00 0.00 O ATOM 1346 OD2 ASP A 95 -0.035 15.771 0.500 1.00 0.00 O ATOM 0 H ASP A 95 0.460 13.496 1.237 1.00 0.00 H new ATOM 0 HA ASP A 95 2.343 12.808 -0.890 1.00 0.00 H new ATOM 0 HB2 ASP A 95 2.431 15.363 0.627 1.00 0.00 H new ATOM 0 HB3 ASP A 95 2.613 15.064 -1.091 1.00 0.00 H new ATOM 1351 N GLY A 96 4.327 12.360 0.483 1.00 0.00 N ATOM 1352 CA GLY A 96 5.408 11.984 1.348 1.00 0.00 C ATOM 1353 C GLY A 96 4.958 10.836 2.209 1.00 0.00 C ATOM 1354 O GLY A 96 5.451 10.656 3.319 1.00 0.00 O ATOM 0 H GLY A 96 4.433 12.100 -0.498 1.00 0.00 H new ATOM 0 HA2 GLY A 96 6.280 11.697 0.760 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.706 12.828 1.969 1.00 0.00 H new ATOM 1358 N LEU A 97 3.981 10.071 1.699 1.00 0.00 N ATOM 1359 CA LEU A 97 3.437 8.958 2.452 1.00 0.00 C ATOM 1360 C LEU A 97 4.372 7.770 2.437 1.00 0.00 C ATOM 1361 O LEU A 97 5.212 7.618 1.552 1.00 0.00 O ATOM 1362 CB LEU A 97 1.981 8.625 2.027 1.00 0.00 C ATOM 1363 CG LEU A 97 1.718 7.368 1.186 1.00 0.00 C ATOM 1364 CD1 LEU A 97 2.252 7.548 -0.213 1.00 0.00 C ATOM 1365 CD2 LEU A 97 2.282 6.113 1.837 1.00 0.00 C ATOM 0 H LEU A 97 3.563 10.209 0.779 1.00 0.00 H new ATOM 0 HA LEU A 97 3.364 9.260 3.497 1.00 0.00 H new ATOM 0 HB2 LEU A 97 1.384 8.543 2.935 1.00 0.00 H new ATOM 0 HB3 LEU A 97 1.598 9.480 1.469 1.00 0.00 H new ATOM 0 HG LEU A 97 0.638 7.231 1.128 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.057 6.648 -0.795 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.759 8.399 -0.684 1.00 0.00 H new ATOM 0 HD13 LEU A 97 3.326 7.728 -0.172 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.072 5.250 1.206 1.00 0.00 H new ATOM 0 HD22 LEU A 97 3.360 6.219 1.959 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.819 5.970 2.813 1.00 0.00 H new ATOM 1377 N ILE A 98 4.259 6.971 3.480 1.00 0.00 N ATOM 1378 CA ILE A 98 5.132 5.829 3.662 1.00 0.00 C ATOM 1379 C ILE A 98 4.394 4.517 3.528 1.00 0.00 C ATOM 1380 O ILE A 98 3.299 4.343 4.063 1.00 0.00 O ATOM 1381 CB ILE A 98 5.827 5.870 5.035 1.00 0.00 C ATOM 1382 CG1 ILE A 98 6.638 7.154 5.182 1.00 0.00 C ATOM 1383 CG2 ILE A 98 6.714 4.654 5.233 1.00 0.00 C ATOM 1384 CD1 ILE A 98 5.787 8.382 5.037 1.00 0.00 C ATOM 0 H ILE A 98 3.566 7.093 4.219 1.00 0.00 H new ATOM 0 HA ILE A 98 5.879 5.891 2.871 1.00 0.00 H new ATOM 0 HB ILE A 98 5.057 5.854 5.806 1.00 0.00 H new ATOM 0 HG12 ILE A 98 7.125 7.165 6.157 1.00 0.00 H new ATOM 0 HG13 ILE A 98 7.428 7.171 4.431 1.00 0.00 H new ATOM 0 HG21 ILE A 98 7.193 4.708 6.211 1.00 0.00 H new ATOM 0 HG22 ILE A 98 6.109 3.749 5.175 1.00 0.00 H new ATOM 0 HG23 ILE A 98 7.478 4.630 4.456 1.00 0.00 H new ATOM 0 HD11 ILE A 98 6.408 9.271 5.149 1.00 0.00 H new ATOM 0 HD12 ILE A 98 5.321 8.387 4.052 1.00 0.00 H new ATOM 0 HD13 ILE A 98 5.013 8.381 5.805 1.00 0.00 H new ATOM 1396 N VAL A 99 5.014 3.592 2.821 1.00 0.00 N ATOM 1397 CA VAL A 99 4.440 2.287 2.622 1.00 0.00 C ATOM 1398 C VAL A 99 5.348 1.201 3.171 1.00 0.00 C ATOM 1399 O VAL A 99 6.551 1.382 3.224 1.00 0.00 O ATOM 1400 CB VAL A 99 4.149 2.015 1.157 1.00 0.00 C ATOM 1401 CG1 VAL A 99 2.868 1.233 1.080 1.00 0.00 C ATOM 1402 CG2 VAL A 99 4.054 3.312 0.366 1.00 0.00 C ATOM 0 H VAL A 99 5.921 3.727 2.375 1.00 0.00 H new ATOM 0 HA VAL A 99 3.496 2.273 3.167 1.00 0.00 H new ATOM 0 HB VAL A 99 4.962 1.440 0.714 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.633 1.022 0.037 1.00 0.00 H new ATOM 0 HG12 VAL A 99 2.981 0.295 1.623 1.00 0.00 H new ATOM 0 HG13 VAL A 99 2.060 1.814 1.524 1.00 0.00 H new ATOM 0 HG21 VAL A 99 3.845 3.086 -0.680 1.00 0.00 H new ATOM 0 HG22 VAL A 99 3.251 3.928 0.772 1.00 0.00 H new ATOM 0 HG23 VAL A 99 4.998 3.852 0.439 1.00 0.00 H new ATOM 1412 N ARG A 100 4.782 0.076 3.595 1.00 0.00 N ATOM 1413 CA ARG A 100 5.603 -0.998 4.148 1.00 0.00 C ATOM 1414 C ARG A 100 5.043 -2.382 3.839 1.00 0.00 C ATOM 1415 O ARG A 100 3.852 -2.545 3.574 1.00 0.00 O ATOM 1416 CB ARG A 100 5.742 -0.825 5.664 1.00 0.00 C ATOM 1417 CG ARG A 100 5.771 0.628 6.113 1.00 0.00 C ATOM 1418 CD ARG A 100 6.205 0.758 7.565 1.00 0.00 C ATOM 1419 NE ARG A 100 7.454 1.507 7.700 1.00 0.00 N ATOM 1420 CZ ARG A 100 8.595 1.004 8.176 1.00 0.00 C ATOM 1421 NH1 ARG A 100 8.676 -0.264 8.567 1.00 0.00 N ATOM 1422 NH2 ARG A 100 9.669 1.779 8.259 1.00 0.00 N ATOM 0 H ARG A 100 3.780 -0.115 3.569 1.00 0.00 H new ATOM 0 HA ARG A 100 6.581 -0.929 3.672 1.00 0.00 H new ATOM 0 HB2 ARG A 100 4.912 -1.332 6.156 1.00 0.00 H new ATOM 0 HB3 ARG A 100 6.657 -1.317 5.995 1.00 0.00 H new ATOM 0 HG2 ARG A 100 6.453 1.192 5.477 1.00 0.00 H new ATOM 0 HG3 ARG A 100 4.781 1.068 5.988 1.00 0.00 H new ATOM 0 HD2 ARG A 100 5.420 1.256 8.134 1.00 0.00 H new ATOM 0 HD3 ARG A 100 6.330 -0.235 7.996 1.00 0.00 H new ATOM 0 HE ARG A 100 7.453 2.485 7.409 1.00 0.00 H new ATOM 0 HH11 ARG A 100 7.858 -0.870 8.506 1.00 0.00 H new ATOM 0 HH12 ARG A 100 9.556 -0.631 8.928 1.00 0.00 H new ATOM 0 HH21 ARG A 100 9.619 2.753 7.960 1.00 0.00 H new ATOM 0 HH22 ARG A 100 10.544 1.401 8.622 1.00 0.00 H new ATOM 1436 N VAL A 101 5.926 -3.379 3.894 1.00 0.00 N ATOM 1437 CA VAL A 101 5.553 -4.764 3.641 1.00 0.00 C ATOM 1438 C VAL A 101 5.993 -5.644 4.806 1.00 0.00 C ATOM 1439 O VAL A 101 7.139 -6.088 4.860 1.00 0.00 O ATOM 1440 CB VAL A 101 6.194 -5.292 2.344 1.00 0.00 C ATOM 1441 CG1 VAL A 101 5.581 -6.623 1.946 1.00 0.00 C ATOM 1442 CG2 VAL A 101 6.058 -4.273 1.224 1.00 0.00 C ATOM 0 H VAL A 101 6.913 -3.247 4.114 1.00 0.00 H new ATOM 0 HA VAL A 101 4.469 -4.799 3.533 1.00 0.00 H new ATOM 0 HB VAL A 101 7.257 -5.452 2.527 1.00 0.00 H new ATOM 0 HG11 VAL A 101 6.048 -6.978 1.027 1.00 0.00 H new ATOM 0 HG12 VAL A 101 5.744 -7.351 2.741 1.00 0.00 H new ATOM 0 HG13 VAL A 101 4.511 -6.497 1.784 1.00 0.00 H new ATOM 0 HG21 VAL A 101 6.517 -4.666 0.317 1.00 0.00 H new ATOM 0 HG22 VAL A 101 5.002 -4.074 1.039 1.00 0.00 H new ATOM 0 HG23 VAL A 101 6.557 -3.347 1.512 1.00 0.00 H new ATOM 1452 N PRO A 102 5.090 -5.883 5.768 1.00 0.00 N ATOM 1453 CA PRO A 102 5.376 -6.690 6.958 1.00 0.00 C ATOM 1454 C PRO A 102 6.145 -7.966 6.676 1.00 0.00 C ATOM 1455 O PRO A 102 6.586 -8.225 5.557 1.00 0.00 O ATOM 1456 CB PRO A 102 3.986 -7.033 7.474 1.00 0.00 C ATOM 1457 CG PRO A 102 3.173 -5.849 7.116 1.00 0.00 C ATOM 1458 CD PRO A 102 3.709 -5.363 5.791 1.00 0.00 C ATOM 0 HA PRO A 102 6.012 -6.144 7.655 1.00 0.00 H new ATOM 0 HB2 PRO A 102 3.599 -7.939 7.008 1.00 0.00 H new ATOM 0 HB3 PRO A 102 3.990 -7.205 8.550 1.00 0.00 H new ATOM 0 HG2 PRO A 102 2.117 -6.109 7.038 1.00 0.00 H new ATOM 0 HG3 PRO A 102 3.255 -5.074 7.878 1.00 0.00 H new ATOM 0 HD2 PRO A 102 3.122 -5.745 4.956 1.00 0.00 H new ATOM 0 HD3 PRO A 102 3.688 -4.275 5.724 1.00 0.00 H new ATOM 1466 N LEU A 103 6.293 -8.757 7.726 1.00 0.00 N ATOM 1467 CA LEU A 103 7.003 -10.021 7.651 1.00 0.00 C ATOM 1468 C LEU A 103 6.594 -10.943 8.795 1.00 0.00 C ATOM 1469 O LEU A 103 6.073 -10.493 9.816 1.00 0.00 O ATOM 1470 CB LEU A 103 8.510 -9.766 7.681 1.00 0.00 C ATOM 1471 CG LEU A 103 9.145 -9.672 9.073 1.00 0.00 C ATOM 1472 CD1 LEU A 103 8.379 -8.701 9.953 1.00 0.00 C ATOM 1473 CD2 LEU A 103 9.221 -11.042 9.728 1.00 0.00 C ATOM 0 H LEU A 103 5.925 -8.541 8.652 1.00 0.00 H new ATOM 0 HA LEU A 103 6.742 -10.515 6.715 1.00 0.00 H new ATOM 0 HB2 LEU A 103 9.005 -10.565 7.130 1.00 0.00 H new ATOM 0 HB3 LEU A 103 8.713 -8.838 7.147 1.00 0.00 H new ATOM 0 HG LEU A 103 10.161 -9.295 8.953 1.00 0.00 H new ATOM 0 HD11 LEU A 103 8.849 -8.652 10.935 1.00 0.00 H new ATOM 0 HD12 LEU A 103 8.388 -7.711 9.496 1.00 0.00 H new ATOM 0 HD13 LEU A 103 7.349 -9.042 10.060 1.00 0.00 H new ATOM 0 HD21 LEU A 103 9.675 -10.949 10.714 1.00 0.00 H new ATOM 0 HD22 LEU A 103 8.217 -11.454 9.828 1.00 0.00 H new ATOM 0 HD23 LEU A 103 9.826 -11.707 9.111 1.00 0.00 H new ATOM 1485 N PRO A 104 6.835 -12.251 8.639 1.00 0.00 N ATOM 1486 CA PRO A 104 6.505 -13.253 9.652 1.00 0.00 C ATOM 1487 C PRO A 104 6.890 -12.801 11.058 1.00 0.00 C ATOM 1488 O PRO A 104 7.993 -13.077 11.528 1.00 0.00 O ATOM 1489 CB PRO A 104 7.335 -14.481 9.238 1.00 0.00 C ATOM 1490 CG PRO A 104 8.154 -14.051 8.059 1.00 0.00 C ATOM 1491 CD PRO A 104 7.454 -12.865 7.465 1.00 0.00 C ATOM 0 HA PRO A 104 5.433 -13.446 9.695 1.00 0.00 H new ATOM 0 HB2 PRO A 104 7.974 -14.813 10.056 1.00 0.00 H new ATOM 0 HB3 PRO A 104 6.688 -15.319 8.978 1.00 0.00 H new ATOM 0 HG2 PRO A 104 9.167 -13.791 8.365 1.00 0.00 H new ATOM 0 HG3 PRO A 104 8.238 -14.857 7.330 1.00 0.00 H new ATOM 0 HD2 PRO A 104 8.150 -12.187 6.970 1.00 0.00 H new ATOM 0 HD3 PRO A 104 6.713 -13.160 6.722 1.00 0.00 H new ATOM 1499 N ALA A 105 5.976 -12.101 11.723 1.00 0.00 N ATOM 1500 CA ALA A 105 6.223 -11.612 13.075 1.00 0.00 C ATOM 1501 C ALA A 105 4.955 -11.669 13.922 1.00 0.00 C ATOM 1502 O ALA A 105 3.938 -12.202 13.428 1.00 0.00 O ATOM 1503 CB ALA A 105 6.767 -10.191 13.032 1.00 0.00 C ATOM 1504 OXT ALA A 105 4.990 -11.180 15.071 1.00 0.00 O ATOM 0 H ALA A 105 5.059 -11.860 11.348 1.00 0.00 H new ATOM 0 HA ALA A 105 6.967 -12.261 13.538 1.00 0.00 H new ATOM 0 HB1 ALA A 105 6.947 -9.839 14.048 1.00 0.00 H new ATOM 0 HB2 ALA A 105 7.702 -10.176 12.472 1.00 0.00 H new ATOM 0 HB3 ALA A 105 6.042 -9.539 12.545 1.00 0.00 H new TER 1510 ALA A 105 HETATM 1511 FE1 FES A 106 -4.871 -7.163 -7.861 1.00 0.00 FE HETATM 1512 FE2 FES A 106 -4.779 -5.351 -5.874 1.00 0.00 FE HETATM 1513 S1 FES A 106 -6.473 -6.631 -6.445 1.00 0.00 S HETATM 1514 S2 FES A 106 -3.273 -5.709 -7.437 1.00 0.00 S