USER MOD reduce.3.24.130724 H: found=0, std=0, add=388, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 390 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 28 MET CE :methyl 178:sc= -0.0835 (180deg=-0.0898) USER MOD Set 1.2: A 45 CYS SG : rot 84:sc= 0.138 USER MOD Set 2.1: A 4 THR OG1 : rot 180:sc= -1.82! USER MOD Set 2.2: A 7 MET CE :methyl -126:sc= 0 (180deg=-0.0311) USER MOD Single : A 5 LYS NZ :NH3+ -119:sc= 0.209 (180deg=-0.106) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot -81:sc= -0.938! USER MOD Single : A 25 ASN : amide:sc= 0.396 K(o=0.4,f=-0.18) USER MOD Single : A 26 ASN : amide:sc= -0.436 K(o=-0.44,f=-1.1) USER MOD Single : A 40 SER OG : rot -106:sc= 0.412 USER MOD Single : A 48 HIS : no HD1:sc= -0.907 K(o=-0.91,f=-4.9!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 164:sc= 1.15 (180deg=0.796) USER MOD Single : A 60 ASN : amide:sc= 0.306 X(o=0.31,f=0.072) USER MOD Single : A 62 TYR OH : rot 180:sc= -0.43 USER MOD ----------------------------------------------------------------- ATOM 42 N ILE A 3 9.532 -1.316 2.459 1.00 53.11 N ATOM 43 CA ILE A 3 8.267 -2.053 2.563 1.00 31.21 C ATOM 44 C ILE A 3 8.333 -3.443 1.906 1.00 42.44 C ATOM 45 O ILE A 3 8.997 -3.635 0.885 1.00 42.21 O ATOM 46 CB ILE A 3 7.110 -1.241 1.921 1.00 44.32 C ATOM 47 CG1 ILE A 3 7.017 0.157 2.557 1.00 71.22 C ATOM 48 CG2 ILE A 3 5.776 -1.980 2.049 1.00 33.32 C ATOM 49 CD1 ILE A 3 6.754 0.141 4.050 1.00 4.43 C ATOM 0 HA ILE A 3 8.081 -2.195 3.627 1.00 31.21 H new ATOM 0 HB ILE A 3 7.328 -1.127 0.859 1.00 44.32 H new ATOM 0 HG12 ILE A 3 7.947 0.693 2.368 1.00 71.22 H new ATOM 0 HG13 ILE A 3 6.221 0.716 2.065 1.00 71.22 H new ATOM 0 HG21 ILE A 3 4.986 -1.386 1.590 1.00 33.32 H new ATOM 0 HG22 ILE A 3 5.844 -2.944 1.545 1.00 33.32 H new ATOM 0 HG23 ILE A 3 5.547 -2.137 3.103 1.00 33.32 H new ATOM 0 HD11 ILE A 3 6.703 1.164 4.421 1.00 4.43 H new ATOM 0 HD12 ILE A 3 5.809 -0.365 4.248 1.00 4.43 H new ATOM 0 HD13 ILE A 3 7.561 -0.388 4.556 1.00 4.43 H new ATOM 61 N THR A 4 7.636 -4.407 2.509 1.00 44.12 N ATOM 62 CA THR A 4 7.505 -5.762 1.949 1.00 32.33 C ATOM 63 C THR A 4 6.025 -6.115 1.745 1.00 52.21 C ATOM 64 O THR A 4 5.158 -5.591 2.441 1.00 51.20 O ATOM 65 CB THR A 4 8.136 -6.835 2.873 1.00 64.53 C ATOM 66 OG1 THR A 4 7.394 -6.936 4.099 1.00 43.14 O ATOM 67 CG2 THR A 4 9.594 -6.509 3.185 1.00 13.31 C ATOM 0 H THR A 4 7.147 -4.277 3.395 1.00 44.12 H new ATOM 0 HA THR A 4 8.034 -5.760 0.996 1.00 32.33 H new ATOM 0 HB THR A 4 8.100 -7.788 2.346 1.00 64.53 H new ATOM 0 HG1 THR A 4 7.802 -7.618 4.673 1.00 43.14 H new ATOM 0 HG21 THR A 4 10.008 -7.280 3.835 1.00 13.31 H new ATOM 0 HG22 THR A 4 10.165 -6.471 2.257 1.00 13.31 H new ATOM 0 HG23 THR A 4 9.652 -5.543 3.686 1.00 13.31 H new ATOM 75 N LYS A 5 5.732 -7.008 0.801 1.00 14.42 N ATOM 76 CA LYS A 5 4.340 -7.409 0.534 1.00 32.32 C ATOM 77 C LYS A 5 3.749 -8.219 1.703 1.00 72.53 C ATOM 78 O LYS A 5 2.534 -8.420 1.786 1.00 52.22 O ATOM 79 CB LYS A 5 4.265 -8.203 -0.777 1.00 13.03 C ATOM 80 CG LYS A 5 5.257 -9.352 -0.844 1.00 35.40 C ATOM 81 CD LYS A 5 5.308 -9.992 -2.224 1.00 63.20 C ATOM 82 CE LYS A 5 6.369 -11.079 -2.273 1.00 50.43 C ATOM 83 NZ LYS A 5 6.033 -12.224 -1.386 1.00 15.20 N ATOM 0 H LYS A 5 6.426 -7.466 0.211 1.00 14.42 H new ATOM 0 HA LYS A 5 3.739 -6.505 0.433 1.00 32.32 H new ATOM 0 HB2 LYS A 5 3.256 -8.597 -0.898 1.00 13.03 H new ATOM 0 HB3 LYS A 5 4.446 -7.527 -1.613 1.00 13.03 H new ATOM 0 HG2 LYS A 5 6.249 -8.988 -0.578 1.00 35.40 H new ATOM 0 HG3 LYS A 5 4.986 -10.107 -0.106 1.00 35.40 H new ATOM 0 HD2 LYS A 5 4.334 -10.416 -2.470 1.00 63.20 H new ATOM 0 HD3 LYS A 5 5.524 -9.232 -2.975 1.00 63.20 H new ATOM 0 HE2 LYS A 5 6.478 -11.434 -3.298 1.00 50.43 H new ATOM 0 HE3 LYS A 5 7.331 -10.661 -1.977 1.00 50.43 H new ATOM 0 HZ1 LYS A 5 6.773 -12.332 -0.663 1.00 15.20 H new ATOM 0 HZ2 LYS A 5 5.119 -12.047 -0.922 1.00 15.20 H new ATOM 0 HZ3 LYS A 5 5.972 -13.095 -1.951 1.00 15.20 H new ATOM 97 N ASP A 6 4.617 -8.665 2.607 1.00 51.01 N ATOM 98 CA ASP A 6 4.197 -9.367 3.822 1.00 71.12 C ATOM 99 C ASP A 6 3.586 -8.387 4.845 1.00 33.33 C ATOM 100 O ASP A 6 2.805 -8.778 5.718 1.00 2.34 O ATOM 101 CB ASP A 6 5.407 -10.095 4.421 1.00 4.11 C ATOM 102 CG ASP A 6 5.076 -10.857 5.691 1.00 55.33 C ATOM 103 OD1 ASP A 6 4.195 -11.741 5.652 1.00 44.54 O ATOM 104 OD2 ASP A 6 5.714 -10.596 6.737 1.00 21.01 O ATOM 0 H ASP A 6 5.627 -8.552 2.521 1.00 51.01 H new ATOM 0 HA ASP A 6 3.425 -10.094 3.568 1.00 71.12 H new ATOM 0 HB2 ASP A 6 5.808 -10.789 3.682 1.00 4.11 H new ATOM 0 HB3 ASP A 6 6.191 -9.369 4.634 1.00 4.11 H new ATOM 109 N MET A 7 3.940 -7.108 4.721 1.00 61.32 N ATOM 110 CA MET A 7 3.437 -6.064 5.622 1.00 2.44 C ATOM 111 C MET A 7 1.931 -5.810 5.416 1.00 13.21 C ATOM 112 O MET A 7 1.363 -6.141 4.373 1.00 13.42 O ATOM 113 CB MET A 7 4.226 -4.761 5.408 1.00 30.34 C ATOM 114 CG MET A 7 5.698 -4.864 5.787 1.00 25.15 C ATOM 115 SD MET A 7 6.631 -3.373 5.377 1.00 11.31 S ATOM 116 CE MET A 7 8.251 -3.795 6.021 1.00 43.12 C ATOM 0 H MET A 7 4.577 -6.766 4.002 1.00 61.32 H new ATOM 0 HA MET A 7 3.577 -6.411 6.646 1.00 2.44 H new ATOM 0 HB2 MET A 7 4.150 -4.469 4.361 1.00 30.34 H new ATOM 0 HB3 MET A 7 3.764 -3.967 5.995 1.00 30.34 H new ATOM 0 HG2 MET A 7 5.781 -5.056 6.857 1.00 25.15 H new ATOM 0 HG3 MET A 7 6.142 -5.717 5.274 1.00 25.15 H new ATOM 0 HE1 MET A 7 8.586 -3.014 6.704 1.00 43.12 H new ATOM 0 HE2 MET A 7 8.195 -4.744 6.554 1.00 43.12 H new ATOM 0 HE3 MET A 7 8.959 -3.883 5.197 1.00 43.12 H new ATOM 126 N ILE A 8 1.293 -5.218 6.422 1.00 74.45 N ATOM 127 CA ILE A 8 -0.141 -4.915 6.368 1.00 55.12 C ATOM 128 C ILE A 8 -0.393 -3.556 5.693 1.00 73.50 C ATOM 129 O ILE A 8 0.293 -2.578 5.985 1.00 74.32 O ATOM 130 CB ILE A 8 -0.754 -4.897 7.792 1.00 23.24 C ATOM 131 CG1 ILE A 8 -0.482 -6.228 8.518 1.00 51.02 C ATOM 132 CG2 ILE A 8 -2.254 -4.604 7.739 1.00 42.52 C ATOM 133 CD1 ILE A 8 -1.042 -7.447 7.815 1.00 63.50 C ATOM 0 H ILE A 8 1.747 -4.936 7.291 1.00 74.45 H new ATOM 0 HA ILE A 8 -0.618 -5.699 5.780 1.00 55.12 H new ATOM 0 HB ILE A 8 -0.275 -4.096 8.356 1.00 23.24 H new ATOM 0 HG12 ILE A 8 0.595 -6.352 8.633 1.00 51.02 H new ATOM 0 HG13 ILE A 8 -0.906 -6.175 9.521 1.00 51.02 H new ATOM 0 HG21 ILE A 8 -2.659 -4.597 8.751 1.00 42.52 H new ATOM 0 HG22 ILE A 8 -2.419 -3.631 7.275 1.00 42.52 H new ATOM 0 HG23 ILE A 8 -2.755 -5.375 7.153 1.00 42.52 H new ATOM 0 HD11 ILE A 8 -0.806 -8.341 8.393 1.00 63.50 H new ATOM 0 HD12 ILE A 8 -2.124 -7.349 7.723 1.00 63.50 H new ATOM 0 HD13 ILE A 8 -0.600 -7.530 6.822 1.00 63.50 H new ATOM 145 N ILE A 9 -1.382 -3.497 4.803 1.00 51.40 N ATOM 146 CA ILE A 9 -1.701 -2.254 4.081 1.00 24.13 C ATOM 147 C ILE A 9 -2.010 -1.093 5.045 1.00 3.11 C ATOM 148 O ILE A 9 -1.437 -0.008 4.927 1.00 73.24 O ATOM 149 CB ILE A 9 -2.895 -2.460 3.115 1.00 13.33 C ATOM 150 CG1 ILE A 9 -2.546 -3.527 2.060 1.00 14.10 C ATOM 151 CG2 ILE A 9 -3.285 -1.141 2.446 1.00 61.12 C ATOM 152 CD1 ILE A 9 -3.656 -3.805 1.065 1.00 72.22 C ATOM 0 H ILE A 9 -1.978 -4.289 4.561 1.00 51.40 H new ATOM 0 HA ILE A 9 -0.815 -1.992 3.502 1.00 24.13 H new ATOM 0 HB ILE A 9 -3.752 -2.810 3.691 1.00 13.33 H new ATOM 0 HG12 ILE A 9 -1.658 -3.207 1.516 1.00 14.10 H new ATOM 0 HG13 ILE A 9 -2.290 -4.456 2.570 1.00 14.10 H new ATOM 0 HG21 ILE A 9 -4.125 -1.309 1.772 1.00 61.12 H new ATOM 0 HG22 ILE A 9 -3.571 -0.417 3.209 1.00 61.12 H new ATOM 0 HG23 ILE A 9 -2.437 -0.756 1.880 1.00 61.12 H new ATOM 0 HD11 ILE A 9 -3.328 -4.567 0.358 1.00 72.22 H new ATOM 0 HD12 ILE A 9 -4.540 -4.158 1.596 1.00 72.22 H new ATOM 0 HD13 ILE A 9 -3.898 -2.890 0.525 1.00 72.22 H new ATOM 164 N ALA A 10 -2.911 -1.328 6.003 1.00 52.51 N ATOM 165 CA ALA A 10 -3.236 -0.319 7.021 1.00 2.40 C ATOM 166 C ALA A 10 -1.989 0.108 7.815 1.00 11.42 C ATOM 167 O ALA A 10 -1.827 1.277 8.156 1.00 63.02 O ATOM 168 CB ALA A 10 -4.312 -0.843 7.965 1.00 24.43 C ATOM 0 H ALA A 10 -3.427 -2.203 6.097 1.00 52.51 H new ATOM 0 HA ALA A 10 -3.617 0.561 6.503 1.00 2.40 H new ATOM 0 HB1 ALA A 10 -4.541 -0.084 8.713 1.00 24.43 H new ATOM 0 HB2 ALA A 10 -5.212 -1.076 7.397 1.00 24.43 H new ATOM 0 HB3 ALA A 10 -3.953 -1.744 8.461 1.00 24.43 H new ATOM 174 N ASP A 11 -1.108 -0.853 8.086 1.00 4.21 N ATOM 175 CA ASP A 11 0.146 -0.593 8.801 1.00 21.31 C ATOM 176 C ASP A 11 1.031 0.387 8.006 1.00 75.44 C ATOM 177 O ASP A 11 1.589 1.335 8.563 1.00 70.34 O ATOM 178 CB ASP A 11 0.871 -1.923 9.037 1.00 2.23 C ATOM 179 CG ASP A 11 2.113 -1.791 9.900 1.00 23.02 C ATOM 180 OD1 ASP A 11 1.987 -1.824 11.145 1.00 35.01 O ATOM 181 OD2 ASP A 11 3.224 -1.694 9.342 1.00 75.20 O ATOM 0 H ASP A 11 -1.239 -1.829 7.819 1.00 4.21 H new ATOM 0 HA ASP A 11 -0.072 -0.130 9.763 1.00 21.31 H new ATOM 0 HB2 ASP A 11 0.183 -2.624 9.509 1.00 2.23 H new ATOM 0 HB3 ASP A 11 1.151 -2.351 8.074 1.00 2.23 H new ATOM 186 N VAL A 12 1.135 0.160 6.694 1.00 65.40 N ATOM 187 CA VAL A 12 1.847 1.081 5.798 1.00 61.13 C ATOM 188 C VAL A 12 1.189 2.475 5.809 1.00 11.43 C ATOM 189 O VAL A 12 1.873 3.504 5.804 1.00 35.42 O ATOM 190 CB VAL A 12 1.880 0.532 4.347 1.00 0.23 C ATOM 191 CG1 VAL A 12 2.605 1.495 3.407 1.00 21.11 C ATOM 192 CG2 VAL A 12 2.527 -0.853 4.307 1.00 23.24 C ATOM 0 H VAL A 12 0.736 -0.654 6.226 1.00 65.40 H new ATOM 0 HA VAL A 12 2.870 1.169 6.163 1.00 61.13 H new ATOM 0 HB VAL A 12 0.850 0.440 4.001 1.00 0.23 H new ATOM 0 HG11 VAL A 12 2.612 1.083 2.398 1.00 21.11 H new ATOM 0 HG12 VAL A 12 2.090 2.456 3.403 1.00 21.11 H new ATOM 0 HG13 VAL A 12 3.631 1.634 3.749 1.00 21.11 H new ATOM 0 HG21 VAL A 12 2.540 -1.219 3.280 1.00 23.24 H new ATOM 0 HG22 VAL A 12 3.548 -0.788 4.682 1.00 23.24 H new ATOM 0 HG23 VAL A 12 1.955 -1.540 4.930 1.00 23.24 H new ATOM 202 N LEU A 13 -0.145 2.497 5.839 1.00 14.54 N ATOM 203 CA LEU A 13 -0.904 3.752 5.920 1.00 1.42 C ATOM 204 C LEU A 13 -0.608 4.510 7.225 1.00 61.11 C ATOM 205 O LEU A 13 -0.614 5.742 7.251 1.00 73.12 O ATOM 206 CB LEU A 13 -2.412 3.475 5.819 1.00 13.30 C ATOM 207 CG LEU A 13 -2.887 2.870 4.489 1.00 51.40 C ATOM 208 CD1 LEU A 13 -4.382 2.563 4.540 1.00 1.44 C ATOM 209 CD2 LEU A 13 -2.572 3.806 3.326 1.00 74.40 C ATOM 0 H LEU A 13 -0.726 1.659 5.808 1.00 14.54 H new ATOM 0 HA LEU A 13 -0.591 4.375 5.083 1.00 1.42 H new ATOM 0 HB2 LEU A 13 -2.694 2.799 6.626 1.00 13.30 H new ATOM 0 HB3 LEU A 13 -2.947 4.410 5.984 1.00 13.30 H new ATOM 0 HG LEU A 13 -2.350 1.935 4.330 1.00 51.40 H new ATOM 0 HD11 LEU A 13 -4.698 2.135 3.589 1.00 1.44 H new ATOM 0 HD12 LEU A 13 -4.580 1.851 5.341 1.00 1.44 H new ATOM 0 HD13 LEU A 13 -4.936 3.483 4.726 1.00 1.44 H new ATOM 0 HD21 LEU A 13 -2.917 3.358 2.394 1.00 74.40 H new ATOM 0 HD22 LEU A 13 -3.078 4.759 3.479 1.00 74.40 H new ATOM 0 HD23 LEU A 13 -1.496 3.971 3.273 1.00 74.40 H new ATOM 221 N GLN A 14 -0.364 3.768 8.309 1.00 65.23 N ATOM 222 CA GLN A 14 -0.034 4.376 9.604 1.00 31.22 C ATOM 223 C GLN A 14 1.357 5.038 9.580 1.00 63.33 C ATOM 224 O GLN A 14 1.660 5.894 10.411 1.00 25.52 O ATOM 225 CB GLN A 14 -0.117 3.334 10.731 1.00 11.35 C ATOM 226 CG GLN A 14 -1.507 2.722 10.888 1.00 3.44 C ATOM 227 CD GLN A 14 -1.630 1.806 12.094 1.00 32.52 C ATOM 228 OE1 GLN A 14 -0.666 1.191 12.535 1.00 25.12 O ATOM 229 NE2 GLN A 14 -2.828 1.694 12.627 1.00 74.10 N ATOM 0 H GLN A 14 -0.388 2.748 8.317 1.00 65.23 H new ATOM 0 HA GLN A 14 -0.770 5.157 9.798 1.00 31.22 H new ATOM 0 HB2 GLN A 14 0.602 2.539 10.535 1.00 11.35 H new ATOM 0 HB3 GLN A 14 0.174 3.802 11.671 1.00 11.35 H new ATOM 0 HG2 GLN A 14 -2.241 3.523 10.973 1.00 3.44 H new ATOM 0 HG3 GLN A 14 -1.752 2.159 9.987 1.00 3.44 H new ATOM 0 HE21 GLN A 14 -3.611 2.219 12.237 1.00 74.10 H new ATOM 0 HE22 GLN A 14 -2.974 1.082 13.430 1.00 74.10 H new ATOM 238 N MET A 15 2.203 4.624 8.633 1.00 41.53 N ATOM 239 CA MET A 15 3.488 5.294 8.399 1.00 65.01 C ATOM 240 C MET A 15 3.260 6.614 7.651 1.00 14.22 C ATOM 241 O MET A 15 3.656 7.688 8.109 1.00 53.41 O ATOM 242 CB MET A 15 4.423 4.399 7.575 1.00 32.54 C ATOM 243 CG MET A 15 4.479 2.959 8.050 1.00 54.35 C ATOM 244 SD MET A 15 5.711 1.988 7.156 1.00 74.42 S ATOM 245 CE MET A 15 5.486 0.379 7.909 1.00 34.11 C ATOM 0 H MET A 15 2.024 3.831 8.017 1.00 41.53 H new ATOM 0 HA MET A 15 3.951 5.494 9.365 1.00 65.01 H new ATOM 0 HB2 MET A 15 4.100 4.415 6.534 1.00 32.54 H new ATOM 0 HB3 MET A 15 5.428 4.819 7.603 1.00 32.54 H new ATOM 0 HG2 MET A 15 4.708 2.939 9.116 1.00 54.35 H new ATOM 0 HG3 MET A 15 3.498 2.500 7.926 1.00 54.35 H new ATOM 0 HE1 MET A 15 6.179 -0.333 7.461 1.00 34.11 H new ATOM 0 HE2 MET A 15 5.679 0.448 8.980 1.00 34.11 H new ATOM 0 HE3 MET A 15 4.463 0.041 7.746 1.00 34.11 H new ATOM 255 N ASP A 16 2.612 6.516 6.492 1.00 35.33 N ATOM 256 CA ASP A 16 2.243 7.693 5.701 1.00 4.21 C ATOM 257 C ASP A 16 0.904 7.462 4.981 1.00 71.44 C ATOM 258 O ASP A 16 0.745 6.488 4.242 1.00 55.32 O ATOM 259 CB ASP A 16 3.337 8.028 4.679 1.00 52.34 C ATOM 260 CG ASP A 16 3.153 9.415 4.086 1.00 15.12 C ATOM 261 OD1 ASP A 16 3.675 10.387 4.667 1.00 34.14 O ATOM 262 OD2 ASP A 16 2.471 9.550 3.055 1.00 72.33 O ATOM 0 H ASP A 16 2.329 5.629 6.076 1.00 35.33 H new ATOM 0 HA ASP A 16 2.135 8.536 6.383 1.00 4.21 H new ATOM 0 HB2 ASP A 16 4.314 7.965 5.159 1.00 52.34 H new ATOM 0 HB3 ASP A 16 3.326 7.287 3.880 1.00 52.34 H new ATOM 267 N ARG A 17 -0.048 8.370 5.190 1.00 45.13 N ATOM 268 CA ARG A 17 -1.378 8.257 4.575 1.00 34.12 C ATOM 269 C ARG A 17 -1.320 8.485 3.056 1.00 25.32 C ATOM 270 O ARG A 17 -2.218 8.071 2.324 1.00 60.12 O ATOM 271 CB ARG A 17 -2.355 9.254 5.222 1.00 22.42 C ATOM 272 CG ARG A 17 -2.625 8.995 6.704 1.00 41.14 C ATOM 273 CD ARG A 17 -3.266 7.626 6.938 1.00 34.41 C ATOM 274 NE ARG A 17 -3.663 7.425 8.336 1.00 75.14 N ATOM 275 CZ ARG A 17 -4.121 6.295 8.813 1.00 72.22 C ATOM 276 NH1 ARG A 17 -4.205 5.245 8.059 1.00 52.32 N ATOM 277 NH2 ARG A 17 -4.480 6.216 10.054 1.00 31.21 N ATOM 0 H ARG A 17 0.073 9.193 5.780 1.00 45.13 H new ATOM 0 HA ARG A 17 -1.736 7.242 4.748 1.00 34.12 H new ATOM 0 HB2 ARG A 17 -1.956 10.262 5.108 1.00 22.42 H new ATOM 0 HB3 ARG A 17 -3.301 9.222 4.681 1.00 22.42 H new ATOM 0 HG2 ARG A 17 -1.689 9.057 7.259 1.00 41.14 H new ATOM 0 HG3 ARG A 17 -3.280 9.774 7.095 1.00 41.14 H new ATOM 0 HD2 ARG A 17 -4.141 7.523 6.296 1.00 34.41 H new ATOM 0 HD3 ARG A 17 -2.564 6.845 6.647 1.00 34.41 H new ATOM 0 HE ARG A 17 -3.577 8.215 8.976 1.00 75.14 H new ATOM 0 HH11 ARG A 17 -3.913 5.293 7.083 1.00 52.32 H new ATOM 0 HH12 ARG A 17 -4.563 4.370 8.441 1.00 52.32 H new ATOM 0 HH21 ARG A 17 -4.406 7.034 10.659 1.00 31.21 H new ATOM 0 HH22 ARG A 17 -4.837 5.336 10.427 1.00 31.21 H new ATOM 291 N GLY A 18 -0.247 9.122 2.590 1.00 14.33 N ATOM 292 CA GLY A 18 -0.088 9.399 1.165 1.00 14.02 C ATOM 293 C GLY A 18 0.201 8.148 0.334 1.00 64.52 C ATOM 294 O GLY A 18 0.338 8.222 -0.886 1.00 34.11 O ATOM 0 H GLY A 18 0.520 9.454 3.175 1.00 14.33 H new ATOM 0 HA2 GLY A 18 -0.995 9.874 0.791 1.00 14.02 H new ATOM 0 HA3 GLY A 18 0.725 10.113 1.029 1.00 14.02 H new ATOM 298 N THR A 19 0.307 6.999 0.996 1.00 53.15 N ATOM 299 CA THR A 19 0.474 5.717 0.303 1.00 0.32 C ATOM 300 C THR A 19 -0.875 5.166 -0.176 1.00 44.42 C ATOM 301 O THR A 19 -0.930 4.295 -1.047 1.00 41.24 O ATOM 302 CB THR A 19 1.147 4.662 1.212 1.00 2.44 C ATOM 303 OG1 THR A 19 0.334 4.418 2.369 1.00 20.20 O ATOM 304 CG2 THR A 19 2.535 5.118 1.652 1.00 20.34 C ATOM 0 H THR A 19 0.281 6.926 2.013 1.00 53.15 H new ATOM 0 HA THR A 19 1.116 5.909 -0.557 1.00 0.32 H new ATOM 0 HB THR A 19 1.251 3.742 0.637 1.00 2.44 H new ATOM 0 HG1 THR A 19 0.486 5.125 3.031 1.00 20.20 H new ATOM 0 HG21 THR A 19 2.983 4.356 2.290 1.00 20.34 H new ATOM 0 HG22 THR A 19 3.163 5.272 0.774 1.00 20.34 H new ATOM 0 HG23 THR A 19 2.452 6.053 2.207 1.00 20.34 H new ATOM 312 N ALA A 20 -1.966 5.696 0.389 1.00 34.44 N ATOM 313 CA ALA A 20 -3.322 5.268 0.024 1.00 71.25 C ATOM 314 C ALA A 20 -3.591 5.386 -1.493 1.00 24.43 C ATOM 315 O ALA A 20 -4.024 4.413 -2.115 1.00 74.42 O ATOM 316 CB ALA A 20 -4.364 6.048 0.829 1.00 3.11 C ATOM 0 H ALA A 20 -1.936 6.424 1.103 1.00 34.44 H new ATOM 0 HA ALA A 20 -3.405 4.210 0.274 1.00 71.25 H new ATOM 0 HB1 ALA A 20 -5.364 5.718 0.546 1.00 3.11 H new ATOM 0 HB2 ALA A 20 -4.210 5.869 1.893 1.00 3.11 H new ATOM 0 HB3 ALA A 20 -4.261 7.113 0.622 1.00 3.11 H new ATOM 322 N PRO A 21 -3.335 6.563 -2.126 1.00 20.10 N ATOM 323 CA PRO A 21 -3.534 6.732 -3.579 1.00 45.14 C ATOM 324 C PRO A 21 -2.728 5.714 -4.410 1.00 43.12 C ATOM 325 O PRO A 21 -3.113 5.371 -5.530 1.00 55.14 O ATOM 326 CB PRO A 21 -3.052 8.169 -3.858 1.00 64.12 C ATOM 327 CG PRO A 21 -2.238 8.545 -2.667 1.00 72.31 C ATOM 328 CD PRO A 21 -2.851 7.810 -1.505 1.00 52.32 C ATOM 0 HA PRO A 21 -4.573 6.563 -3.862 1.00 45.14 H new ATOM 0 HB2 PRO A 21 -2.459 8.215 -4.771 1.00 64.12 H new ATOM 0 HB3 PRO A 21 -3.894 8.848 -3.990 1.00 64.12 H new ATOM 0 HG2 PRO A 21 -1.194 8.263 -2.802 1.00 72.31 H new ATOM 0 HG3 PRO A 21 -2.258 9.622 -2.503 1.00 72.31 H new ATOM 0 HD2 PRO A 21 -2.121 7.614 -0.720 1.00 52.32 H new ATOM 0 HD3 PRO A 21 -3.663 8.377 -1.051 1.00 52.32 H new ATOM 336 N ILE A 22 -1.616 5.229 -3.851 1.00 12.52 N ATOM 337 CA ILE A 22 -0.803 4.198 -4.507 1.00 63.15 C ATOM 338 C ILE A 22 -1.530 2.843 -4.493 1.00 21.51 C ATOM 339 O ILE A 22 -1.613 2.155 -5.514 1.00 15.42 O ATOM 340 CB ILE A 22 0.579 4.050 -3.826 1.00 3.11 C ATOM 341 CG1 ILE A 22 1.295 5.411 -3.786 1.00 22.34 C ATOM 342 CG2 ILE A 22 1.430 3.007 -4.551 1.00 32.02 C ATOM 343 CD1 ILE A 22 2.622 5.381 -3.064 1.00 51.03 C ATOM 0 H ILE A 22 -1.257 5.533 -2.946 1.00 12.52 H new ATOM 0 HA ILE A 22 -0.649 4.514 -5.539 1.00 63.15 H new ATOM 0 HB ILE A 22 0.430 3.706 -2.802 1.00 3.11 H new ATOM 0 HG12 ILE A 22 1.455 5.757 -4.807 1.00 22.34 H new ATOM 0 HG13 ILE A 22 0.645 6.139 -3.301 1.00 22.34 H new ATOM 0 HG21 ILE A 22 2.397 2.919 -4.056 1.00 32.02 H new ATOM 0 HG22 ILE A 22 0.922 2.043 -4.528 1.00 32.02 H new ATOM 0 HG23 ILE A 22 1.579 3.315 -5.586 1.00 32.02 H new ATOM 0 HD11 ILE A 22 3.066 6.376 -3.078 1.00 51.03 H new ATOM 0 HD12 ILE A 22 2.468 5.067 -2.032 1.00 51.03 H new ATOM 0 HD13 ILE A 22 3.291 4.678 -3.561 1.00 51.03 H new ATOM 355 N PHE A 23 -2.065 2.468 -3.330 1.00 3.22 N ATOM 356 CA PHE A 23 -2.907 1.271 -3.221 1.00 4.35 C ATOM 357 C PHE A 23 -4.130 1.386 -4.148 1.00 55.41 C ATOM 358 O PHE A 23 -4.524 0.418 -4.804 1.00 13.12 O ATOM 359 CB PHE A 23 -3.363 1.055 -1.769 1.00 63.14 C ATOM 360 CG PHE A 23 -2.247 0.696 -0.816 1.00 1.20 C ATOM 361 CD1 PHE A 23 -1.585 -0.519 -0.933 1.00 73.35 C ATOM 362 CD2 PHE A 23 -1.865 1.565 0.199 1.00 2.23 C ATOM 363 CE1 PHE A 23 -0.568 -0.857 -0.061 1.00 71.14 C ATOM 364 CE2 PHE A 23 -0.848 1.228 1.074 1.00 70.32 C ATOM 365 CZ PHE A 23 -0.199 0.017 0.943 1.00 44.12 C ATOM 0 H PHE A 23 -1.932 2.972 -2.453 1.00 3.22 H new ATOM 0 HA PHE A 23 -2.313 0.410 -3.529 1.00 4.35 H new ATOM 0 HB2 PHE A 23 -3.850 1.963 -1.414 1.00 63.14 H new ATOM 0 HB3 PHE A 23 -4.111 0.263 -1.749 1.00 63.14 H new ATOM 0 HD1 PHE A 23 -1.868 -1.208 -1.715 1.00 73.35 H new ATOM 0 HD2 PHE A 23 -2.368 2.515 0.306 1.00 2.23 H new ATOM 0 HE1 PHE A 23 -0.061 -1.805 -0.164 1.00 71.14 H new ATOM 0 HE2 PHE A 23 -0.562 1.912 1.859 1.00 70.32 H new ATOM 0 HZ PHE A 23 0.596 -0.247 1.624 1.00 44.12 H new ATOM 375 N ILE A 24 -4.719 2.582 -4.198 1.00 74.31 N ATOM 376 CA ILE A 24 -5.830 2.870 -5.114 1.00 45.44 C ATOM 377 C ILE A 24 -5.413 2.645 -6.579 1.00 62.02 C ATOM 378 O ILE A 24 -6.130 2.002 -7.346 1.00 11.03 O ATOM 379 CB ILE A 24 -6.334 4.327 -4.939 1.00 33.24 C ATOM 380 CG1 ILE A 24 -6.883 4.539 -3.517 1.00 4.40 C ATOM 381 CG2 ILE A 24 -7.394 4.670 -5.990 1.00 32.10 C ATOM 382 CD1 ILE A 24 -7.324 5.962 -3.231 1.00 62.12 C ATOM 0 H ILE A 24 -4.445 3.372 -3.613 1.00 74.31 H new ATOM 0 HA ILE A 24 -6.639 2.183 -4.867 1.00 45.44 H new ATOM 0 HB ILE A 24 -5.489 5.000 -5.085 1.00 33.24 H new ATOM 0 HG12 ILE A 24 -7.729 3.869 -3.362 1.00 4.40 H new ATOM 0 HG13 ILE A 24 -6.116 4.256 -2.796 1.00 4.40 H new ATOM 0 HG21 ILE A 24 -7.731 5.697 -5.845 1.00 32.10 H new ATOM 0 HG22 ILE A 24 -6.965 4.566 -6.987 1.00 32.10 H new ATOM 0 HG23 ILE A 24 -8.241 3.992 -5.887 1.00 32.10 H new ATOM 0 HD11 ILE A 24 -7.698 6.029 -2.209 1.00 62.12 H new ATOM 0 HD12 ILE A 24 -6.477 6.637 -3.352 1.00 62.12 H new ATOM 0 HD13 ILE A 24 -8.115 6.244 -3.926 1.00 62.12 H new ATOM 394 N ASN A 25 -4.241 3.167 -6.948 1.00 62.31 N ATOM 395 CA ASN A 25 -3.682 2.985 -8.298 1.00 31.34 C ATOM 396 C ASN A 25 -3.654 1.501 -8.701 1.00 54.52 C ATOM 397 O ASN A 25 -4.099 1.126 -9.789 1.00 45.20 O ATOM 398 CB ASN A 25 -2.257 3.558 -8.357 1.00 61.52 C ATOM 399 CG ASN A 25 -1.593 3.357 -9.709 1.00 33.54 C ATOM 400 OD1 ASN A 25 -2.236 3.420 -10.752 1.00 33.42 O ATOM 401 ND2 ASN A 25 -0.304 3.086 -9.704 1.00 73.35 N ATOM 0 H ASN A 25 -3.653 3.724 -6.328 1.00 62.31 H new ATOM 0 HA ASN A 25 -4.325 3.518 -8.999 1.00 31.34 H new ATOM 0 HB2 ASN A 25 -2.290 4.623 -8.129 1.00 61.52 H new ATOM 0 HB3 ASN A 25 -1.649 3.086 -7.586 1.00 61.52 H new ATOM 0 HD21 ASN A 25 0.186 2.922 -10.583 1.00 73.35 H new ATOM 0 HD22 ASN A 25 0.204 3.040 -8.821 1.00 73.35 H new ATOM 408 N ASN A 26 -3.140 0.661 -7.809 1.00 52.41 N ATOM 409 CA ASN A 26 -3.027 -0.776 -8.072 1.00 71.32 C ATOM 410 C ASN A 26 -4.378 -1.506 -7.909 1.00 4.04 C ATOM 411 O ASN A 26 -4.493 -2.687 -8.230 1.00 64.22 O ATOM 412 CB ASN A 26 -1.946 -1.380 -7.169 1.00 25.50 C ATOM 413 CG ASN A 26 -0.554 -0.907 -7.566 1.00 11.32 C ATOM 414 OD1 ASN A 26 0.136 -1.556 -8.341 1.00 75.15 O ATOM 415 ND2 ASN A 26 -0.137 0.236 -7.051 1.00 21.33 N ATOM 0 H ASN A 26 -2.793 0.948 -6.894 1.00 52.41 H new ATOM 0 HA ASN A 26 -2.733 -0.912 -9.113 1.00 71.32 H new ATOM 0 HB2 ASN A 26 -2.142 -1.106 -6.133 1.00 25.50 H new ATOM 0 HB3 ASN A 26 -1.991 -2.468 -7.225 1.00 25.50 H new ATOM 0 HD21 ASN A 26 0.783 0.600 -7.297 1.00 21.33 H new ATOM 0 HD22 ASN A 26 -0.735 0.754 -6.408 1.00 21.33 H new ATOM 422 N GLY A 27 -5.402 -0.794 -7.429 1.00 64.14 N ATOM 423 CA GLY A 27 -6.761 -1.347 -7.404 1.00 33.02 C ATOM 424 C GLY A 27 -7.205 -1.928 -6.059 1.00 11.44 C ATOM 425 O GLY A 27 -7.875 -2.963 -6.022 1.00 4.54 O ATOM 0 H GLY A 27 -5.320 0.152 -7.058 1.00 64.14 H new ATOM 0 HA2 GLY A 27 -7.461 -0.562 -7.691 1.00 33.02 H new ATOM 0 HA3 GLY A 27 -6.832 -2.129 -8.160 1.00 33.02 H new ATOM 429 N MET A 28 -6.840 -1.283 -4.953 1.00 54.41 N ATOM 430 CA MET A 28 -7.320 -1.692 -3.626 1.00 34.05 C ATOM 431 C MET A 28 -8.629 -0.972 -3.248 1.00 52.02 C ATOM 432 O MET A 28 -8.948 0.087 -3.789 1.00 75.13 O ATOM 433 CB MET A 28 -6.245 -1.403 -2.578 1.00 22.14 C ATOM 434 CG MET A 28 -4.991 -2.243 -2.756 1.00 75.14 C ATOM 435 SD MET A 28 -5.285 -3.990 -2.408 1.00 10.01 S ATOM 436 CE MET A 28 -3.637 -4.667 -2.605 1.00 51.13 C ATOM 0 H MET A 28 -6.215 -0.477 -4.944 1.00 54.41 H new ATOM 0 HA MET A 28 -7.526 -2.762 -3.658 1.00 34.05 H new ATOM 0 HB2 MET A 28 -5.977 -0.348 -2.624 1.00 22.14 H new ATOM 0 HB3 MET A 28 -6.657 -1.584 -1.585 1.00 22.14 H new ATOM 0 HG2 MET A 28 -4.625 -2.134 -3.777 1.00 75.14 H new ATOM 0 HG3 MET A 28 -4.209 -1.869 -2.095 1.00 75.14 H new ATOM 0 HE1 MET A 28 -3.654 -5.735 -2.386 1.00 51.13 H new ATOM 0 HE2 MET A 28 -3.300 -4.512 -3.630 1.00 51.13 H new ATOM 0 HE3 MET A 28 -2.954 -4.167 -1.919 1.00 51.13 H new ATOM 572 N GLU A 39 -5.566 -6.933 6.110 1.00 14.03 N ATOM 573 CA GLU A 39 -4.798 -8.013 5.489 1.00 20.34 C ATOM 574 C GLU A 39 -3.446 -7.515 4.942 1.00 33.20 C ATOM 575 O GLU A 39 -3.247 -6.314 4.727 1.00 62.42 O ATOM 576 CB GLU A 39 -5.624 -8.633 4.357 1.00 65.52 C ATOM 577 CG GLU A 39 -7.052 -8.986 4.763 1.00 74.34 C ATOM 578 CD GLU A 39 -7.120 -10.053 5.844 1.00 45.02 C ATOM 579 OE1 GLU A 39 -6.927 -11.244 5.520 1.00 1.22 O ATOM 580 OE2 GLU A 39 -7.368 -9.709 7.018 1.00 61.00 O ATOM 0 HA GLU A 39 -4.585 -8.762 6.252 1.00 20.34 H new ATOM 0 HB2 GLU A 39 -5.655 -7.937 3.519 1.00 65.52 H new ATOM 0 HB3 GLU A 39 -5.122 -9.534 4.005 1.00 65.52 H new ATOM 0 HG2 GLU A 39 -7.555 -8.086 5.117 1.00 74.34 H new ATOM 0 HG3 GLU A 39 -7.598 -9.332 3.885 1.00 74.34 H new ATOM 587 N SER A 40 -2.517 -8.447 4.720 1.00 71.40 N ATOM 588 CA SER A 40 -1.206 -8.116 4.133 1.00 74.21 C ATOM 589 C SER A 40 -1.344 -7.655 2.680 1.00 13.20 C ATOM 590 O SER A 40 -2.323 -7.983 2.009 1.00 14.44 O ATOM 591 CB SER A 40 -0.268 -9.330 4.182 1.00 74.53 C ATOM 592 OG SER A 40 -0.023 -9.752 5.511 1.00 73.44 O ATOM 0 H SER A 40 -2.642 -9.436 4.935 1.00 71.40 H new ATOM 0 HA SER A 40 -0.786 -7.302 4.724 1.00 74.21 H new ATOM 0 HB2 SER A 40 -0.706 -10.151 3.615 1.00 74.53 H new ATOM 0 HB3 SER A 40 0.677 -9.079 3.700 1.00 74.53 H new ATOM 0 HG SER A 40 0.886 -9.497 5.773 1.00 73.44 H new ATOM 598 N ILE A 41 -0.353 -6.914 2.189 1.00 35.34 N ATOM 599 CA ILE A 41 -0.355 -6.442 0.801 1.00 71.42 C ATOM 600 C ILE A 41 -0.517 -7.603 -0.200 1.00 1.34 C ATOM 601 O ILE A 41 -1.433 -7.598 -1.021 1.00 61.41 O ATOM 602 CB ILE A 41 0.948 -5.667 0.511 1.00 1.14 C ATOM 603 CG1 ILE A 41 1.056 -4.457 1.460 1.00 63.32 C ATOM 604 CG2 ILE A 41 1.015 -5.227 -0.953 1.00 52.34 C ATOM 605 CD1 ILE A 41 2.477 -4.034 1.738 1.00 74.15 C ATOM 0 H ILE A 41 0.463 -6.626 2.729 1.00 35.34 H new ATOM 0 HA ILE A 41 -1.211 -5.779 0.674 1.00 71.42 H new ATOM 0 HB ILE A 41 1.796 -6.329 0.689 1.00 1.14 H new ATOM 0 HG12 ILE A 41 0.513 -3.617 1.027 1.00 63.32 H new ATOM 0 HG13 ILE A 41 0.567 -4.700 2.403 1.00 63.32 H new ATOM 0 HG21 ILE A 41 1.944 -4.684 -1.127 1.00 52.34 H new ATOM 0 HG22 ILE A 41 0.981 -6.105 -1.599 1.00 52.34 H new ATOM 0 HG23 ILE A 41 0.168 -4.579 -1.177 1.00 52.34 H new ATOM 0 HD11 ILE A 41 2.476 -3.178 2.413 1.00 74.15 H new ATOM 0 HD12 ILE A 41 3.019 -4.859 2.200 1.00 74.15 H new ATOM 0 HD13 ILE A 41 2.964 -3.759 0.803 1.00 74.15 H new ATOM 617 N GLU A 42 0.360 -8.608 -0.111 1.00 53.32 N ATOM 618 CA GLU A 42 0.289 -9.770 -1.012 1.00 13.41 C ATOM 619 C GLU A 42 -1.014 -10.560 -0.818 1.00 54.10 C ATOM 620 O GLU A 42 -1.536 -11.157 -1.764 1.00 22.34 O ATOM 621 CB GLU A 42 1.500 -10.696 -0.816 1.00 3.22 C ATOM 622 CG GLU A 42 1.644 -11.257 0.597 1.00 1.40 C ATOM 623 CD GLU A 42 2.802 -12.236 0.717 1.00 21.23 C ATOM 624 OE1 GLU A 42 3.960 -11.788 0.845 1.00 11.21 O ATOM 625 OE2 GLU A 42 2.563 -13.462 0.656 1.00 52.11 O ATOM 0 H GLU A 42 1.121 -8.644 0.567 1.00 53.32 H new ATOM 0 HA GLU A 42 0.303 -9.385 -2.031 1.00 13.41 H new ATOM 0 HB2 GLU A 42 1.424 -11.527 -1.517 1.00 3.22 H new ATOM 0 HB3 GLU A 42 2.407 -10.147 -1.070 1.00 3.22 H new ATOM 0 HG2 GLU A 42 1.792 -10.435 1.298 1.00 1.40 H new ATOM 0 HG3 GLU A 42 0.718 -11.757 0.883 1.00 1.40 H new ATOM 632 N ASP A 43 -1.539 -10.548 0.406 1.00 73.32 N ATOM 633 CA ASP A 43 -2.805 -11.217 0.718 1.00 2.13 C ATOM 634 C ASP A 43 -3.957 -10.550 -0.056 1.00 60.54 C ATOM 635 O ASP A 43 -4.606 -11.180 -0.892 1.00 33.33 O ATOM 636 CB ASP A 43 -3.065 -11.155 2.232 1.00 51.44 C ATOM 637 CG ASP A 43 -4.162 -12.106 2.692 1.00 32.40 C ATOM 638 OD1 ASP A 43 -5.312 -11.972 2.234 1.00 23.33 O ATOM 639 OD2 ASP A 43 -3.875 -12.998 3.524 1.00 53.50 O ATOM 0 H ASP A 43 -1.106 -10.081 1.203 1.00 73.32 H new ATOM 0 HA ASP A 43 -2.745 -12.262 0.415 1.00 2.13 H new ATOM 0 HB2 ASP A 43 -2.143 -11.391 2.762 1.00 51.44 H new ATOM 0 HB3 ASP A 43 -3.338 -10.136 2.506 1.00 51.44 H new ATOM 644 N ALA A 44 -4.187 -9.264 0.220 1.00 63.30 N ATOM 645 CA ALA A 44 -5.198 -8.476 -0.497 1.00 41.44 C ATOM 646 C ALA A 44 -4.994 -8.545 -2.019 1.00 65.15 C ATOM 647 O ALA A 44 -5.954 -8.659 -2.788 1.00 33.11 O ATOM 648 CB ALA A 44 -5.160 -7.028 -0.024 1.00 44.21 C ATOM 0 H ALA A 44 -3.685 -8.742 0.938 1.00 63.30 H new ATOM 0 HA ALA A 44 -6.176 -8.903 -0.275 1.00 41.44 H new ATOM 0 HB1 ALA A 44 -5.913 -6.450 -0.560 1.00 44.21 H new ATOM 0 HB2 ALA A 44 -5.367 -6.989 1.045 1.00 44.21 H new ATOM 0 HB3 ALA A 44 -4.173 -6.608 -0.218 1.00 44.21 H new ATOM 654 N CYS A 45 -3.733 -8.484 -2.442 1.00 0.31 N ATOM 655 CA CYS A 45 -3.385 -8.633 -3.858 1.00 75.31 C ATOM 656 C CYS A 45 -3.884 -9.970 -4.420 1.00 54.02 C ATOM 657 O CYS A 45 -4.384 -10.029 -5.537 1.00 21.21 O ATOM 658 CB CYS A 45 -1.868 -8.520 -4.062 1.00 53.12 C ATOM 659 SG CYS A 45 -1.208 -6.852 -3.825 1.00 33.40 S ATOM 0 H CYS A 45 -2.934 -8.333 -1.827 1.00 0.31 H new ATOM 0 HA CYS A 45 -3.878 -7.826 -4.399 1.00 75.31 H new ATOM 0 HB2 CYS A 45 -1.368 -9.198 -3.370 1.00 53.12 H new ATOM 0 HB3 CYS A 45 -1.623 -8.856 -5.070 1.00 53.12 H new ATOM 0 HG CYS A 45 -0.986 -6.649 -2.560 1.00 33.40 H new ATOM 665 N ALA A 46 -3.756 -11.040 -3.645 1.00 11.32 N ATOM 666 CA ALA A 46 -4.245 -12.358 -4.072 1.00 43.32 C ATOM 667 C ALA A 46 -5.784 -12.412 -4.096 1.00 23.42 C ATOM 668 O ALA A 46 -6.382 -13.117 -4.911 1.00 12.04 O ATOM 669 CB ALA A 46 -3.689 -13.451 -3.165 1.00 1.42 C ATOM 0 H ALA A 46 -3.322 -11.028 -2.722 1.00 11.32 H new ATOM 0 HA ALA A 46 -3.892 -12.528 -5.089 1.00 43.32 H new ATOM 0 HB1 ALA A 46 -4.061 -14.421 -3.495 1.00 1.42 H new ATOM 0 HB2 ALA A 46 -2.600 -13.444 -3.213 1.00 1.42 H new ATOM 0 HB3 ALA A 46 -4.008 -13.270 -2.139 1.00 1.42 H new ATOM 675 N VAL A 47 -6.420 -11.658 -3.202 1.00 12.42 N ATOM 676 CA VAL A 47 -7.887 -11.601 -3.135 1.00 2.23 C ATOM 677 C VAL A 47 -8.489 -10.865 -4.351 1.00 22.51 C ATOM 678 O VAL A 47 -9.523 -11.272 -4.887 1.00 11.44 O ATOM 679 CB VAL A 47 -8.364 -10.913 -1.828 1.00 5.15 C ATOM 680 CG1 VAL A 47 -9.890 -10.897 -1.737 1.00 74.52 C ATOM 681 CG2 VAL A 47 -7.760 -11.601 -0.605 1.00 32.01 C ATOM 0 H VAL A 47 -5.946 -11.076 -2.511 1.00 12.42 H new ATOM 0 HA VAL A 47 -8.239 -12.632 -3.145 1.00 2.23 H new ATOM 0 HB VAL A 47 -8.018 -9.880 -1.849 1.00 5.15 H new ATOM 0 HG11 VAL A 47 -10.194 -10.409 -0.811 1.00 74.52 H new ATOM 0 HG12 VAL A 47 -10.299 -10.351 -2.587 1.00 74.52 H new ATOM 0 HG13 VAL A 47 -10.266 -11.920 -1.748 1.00 74.52 H new ATOM 0 HG21 VAL A 47 -8.107 -11.103 0.301 1.00 32.01 H new ATOM 0 HG22 VAL A 47 -8.069 -12.646 -0.586 1.00 32.01 H new ATOM 0 HG23 VAL A 47 -6.673 -11.545 -0.656 1.00 32.01 H new ATOM 691 N HIS A 48 -7.845 -9.777 -4.785 1.00 3.13 N ATOM 692 CA HIS A 48 -8.335 -8.997 -5.940 1.00 33.44 C ATOM 693 C HIS A 48 -7.480 -9.237 -7.206 1.00 74.23 C ATOM 694 O HIS A 48 -7.704 -8.613 -8.244 1.00 41.52 O ATOM 695 CB HIS A 48 -8.373 -7.498 -5.581 1.00 34.44 C ATOM 696 CG HIS A 48 -9.108 -6.643 -6.577 1.00 63.24 C ATOM 697 ND1 HIS A 48 -8.687 -5.382 -6.945 1.00 61.31 N ATOM 698 CD2 HIS A 48 -10.257 -6.863 -7.267 1.00 53.21 C ATOM 699 CE1 HIS A 48 -9.535 -4.870 -7.813 1.00 61.40 C ATOM 700 NE2 HIS A 48 -10.494 -5.745 -8.026 1.00 55.45 N ATOM 0 H HIS A 48 -6.990 -9.414 -4.363 1.00 3.13 H new ATOM 0 HA HIS A 48 -9.345 -9.336 -6.170 1.00 33.44 H new ATOM 0 HB2 HIS A 48 -8.842 -7.382 -4.604 1.00 34.44 H new ATOM 0 HB3 HIS A 48 -7.350 -7.132 -5.490 1.00 34.44 H new ATOM 0 HD2 HIS A 48 -10.869 -7.752 -7.226 1.00 53.21 H new ATOM 0 HE1 HIS A 48 -9.456 -3.896 -8.273 1.00 61.40 H new ATOM 0 HE2 HIS A 48 -11.286 -5.613 -8.655 1.00 55.45 H new ATOM 709 N GLY A 49 -6.514 -10.152 -7.117 1.00 13.43 N ATOM 710 CA GLY A 49 -5.678 -10.499 -8.270 1.00 61.30 C ATOM 711 C GLY A 49 -4.701 -9.393 -8.686 1.00 14.34 C ATOM 712 O GLY A 49 -4.316 -9.296 -9.854 1.00 11.01 O ATOM 0 H GLY A 49 -6.291 -10.665 -6.264 1.00 13.43 H new ATOM 0 HA2 GLY A 49 -5.112 -11.401 -8.037 1.00 61.30 H new ATOM 0 HA3 GLY A 49 -6.323 -10.737 -9.116 1.00 61.30 H new ATOM 716 N ILE A 50 -4.297 -8.569 -7.725 1.00 31.34 N ATOM 717 CA ILE A 50 -3.363 -7.461 -7.971 1.00 30.14 C ATOM 718 C ILE A 50 -1.899 -7.928 -7.894 1.00 70.54 C ATOM 719 O ILE A 50 -1.580 -8.904 -7.214 1.00 24.31 O ATOM 720 CB ILE A 50 -3.581 -6.331 -6.931 1.00 4.31 C ATOM 721 CG1 ILE A 50 -5.061 -5.919 -6.895 1.00 20.24 C ATOM 722 CG2 ILE A 50 -2.689 -5.123 -7.234 1.00 54.42 C ATOM 723 CD1 ILE A 50 -5.387 -4.906 -5.819 1.00 63.15 C ATOM 0 H ILE A 50 -4.603 -8.645 -6.755 1.00 31.34 H new ATOM 0 HA ILE A 50 -3.562 -7.089 -8.976 1.00 30.14 H new ATOM 0 HB ILE A 50 -3.302 -6.712 -5.949 1.00 4.31 H new ATOM 0 HG12 ILE A 50 -5.337 -5.506 -7.865 1.00 20.24 H new ATOM 0 HG13 ILE A 50 -5.672 -6.808 -6.741 1.00 20.24 H new ATOM 0 HG21 ILE A 50 -2.863 -4.346 -6.489 1.00 54.42 H new ATOM 0 HG22 ILE A 50 -1.643 -5.427 -7.204 1.00 54.42 H new ATOM 0 HG23 ILE A 50 -2.926 -4.735 -8.225 1.00 54.42 H new ATOM 0 HD11 ILE A 50 -6.449 -4.665 -5.856 1.00 63.15 H new ATOM 0 HD12 ILE A 50 -5.144 -5.322 -4.842 1.00 63.15 H new ATOM 0 HD13 ILE A 50 -4.803 -4.000 -5.983 1.00 63.15 H new ATOM 735 N ASP A 51 -1.015 -7.223 -8.593 1.00 34.32 N ATOM 736 CA ASP A 51 0.410 -7.506 -8.568 1.00 44.21 C ATOM 737 C ASP A 51 1.095 -6.872 -7.341 1.00 32.01 C ATOM 738 O ASP A 51 1.363 -5.668 -7.319 1.00 34.00 O ATOM 739 CB ASP A 51 1.028 -6.965 -9.850 1.00 52.44 C ATOM 740 CG ASP A 51 0.422 -7.595 -11.088 1.00 42.30 C ATOM 741 OD1 ASP A 51 -0.670 -7.162 -11.507 1.00 34.30 O ATOM 742 OD2 ASP A 51 1.031 -8.530 -11.650 1.00 20.23 O ATOM 0 H ASP A 51 -1.270 -6.439 -9.193 1.00 34.32 H new ATOM 0 HA ASP A 51 0.556 -8.584 -8.497 1.00 44.21 H new ATOM 0 HB2 ASP A 51 0.890 -5.884 -9.890 1.00 52.44 H new ATOM 0 HB3 ASP A 51 2.102 -7.149 -9.839 1.00 52.44 H new ATOM 747 N ALA A 52 1.381 -7.681 -6.325 1.00 11.41 N ATOM 748 CA ALA A 52 2.041 -7.188 -5.110 1.00 24.14 C ATOM 749 C ALA A 52 3.481 -6.743 -5.396 1.00 13.23 C ATOM 750 O ALA A 52 3.957 -5.745 -4.850 1.00 71.43 O ATOM 751 CB ALA A 52 2.020 -8.260 -4.030 1.00 70.05 C ATOM 0 H ALA A 52 1.169 -8.679 -6.314 1.00 11.41 H new ATOM 0 HA ALA A 52 1.489 -6.317 -4.757 1.00 24.14 H new ATOM 0 HB1 ALA A 52 2.512 -7.883 -3.134 1.00 70.05 H new ATOM 0 HB2 ALA A 52 0.988 -8.520 -3.795 1.00 70.05 H new ATOM 0 HB3 ALA A 52 2.545 -9.146 -4.387 1.00 70.05 H new ATOM 757 N ASP A 53 4.162 -7.493 -6.259 1.00 43.20 N ATOM 758 CA ASP A 53 5.526 -7.168 -6.687 1.00 73.23 C ATOM 759 C ASP A 53 5.629 -5.711 -7.180 1.00 25.31 C ATOM 760 O ASP A 53 6.546 -4.980 -6.814 1.00 23.43 O ATOM 761 CB ASP A 53 5.947 -8.141 -7.800 1.00 42.04 C ATOM 762 CG ASP A 53 7.343 -7.876 -8.336 1.00 31.42 C ATOM 763 OD1 ASP A 53 8.321 -8.368 -7.738 1.00 71.24 O ATOM 764 OD2 ASP A 53 7.465 -7.189 -9.373 1.00 10.40 O ATOM 0 H ASP A 53 3.787 -8.342 -6.682 1.00 43.20 H new ATOM 0 HA ASP A 53 6.196 -7.271 -5.833 1.00 73.23 H new ATOM 0 HB2 ASP A 53 5.900 -9.161 -7.418 1.00 42.04 H new ATOM 0 HB3 ASP A 53 5.232 -8.075 -8.620 1.00 42.04 H new ATOM 769 N LYS A 54 4.660 -5.295 -7.992 1.00 71.54 N ATOM 770 CA LYS A 54 4.658 -3.949 -8.579 1.00 70.10 C ATOM 771 C LYS A 54 4.168 -2.886 -7.580 1.00 72.22 C ATOM 772 O LYS A 54 4.708 -1.777 -7.531 1.00 61.43 O ATOM 773 CB LYS A 54 3.787 -3.942 -9.844 1.00 32.41 C ATOM 774 CG LYS A 54 4.270 -4.929 -10.902 1.00 40.43 C ATOM 775 CD LYS A 54 3.363 -4.959 -12.129 1.00 61.24 C ATOM 776 CE LYS A 54 3.833 -6.000 -13.142 1.00 15.23 C ATOM 777 NZ LYS A 54 2.950 -6.057 -14.335 1.00 12.35 N ATOM 0 H LYS A 54 3.862 -5.870 -8.262 1.00 71.54 H new ATOM 0 HA LYS A 54 5.684 -3.692 -8.841 1.00 70.10 H new ATOM 0 HB2 LYS A 54 2.759 -4.182 -9.573 1.00 32.41 H new ATOM 0 HB3 LYS A 54 3.779 -2.938 -10.268 1.00 32.41 H new ATOM 0 HG2 LYS A 54 5.282 -4.663 -11.208 1.00 40.43 H new ATOM 0 HG3 LYS A 54 4.321 -5.927 -10.467 1.00 40.43 H new ATOM 0 HD2 LYS A 54 2.341 -5.182 -11.823 1.00 61.24 H new ATOM 0 HD3 LYS A 54 3.348 -3.975 -12.597 1.00 61.24 H new ATOM 0 HE2 LYS A 54 4.851 -5.767 -13.455 1.00 15.23 H new ATOM 0 HE3 LYS A 54 3.863 -6.980 -12.666 1.00 15.23 H new ATOM 0 HZ1 LYS A 54 3.306 -6.776 -14.996 1.00 12.35 H new ATOM 0 HZ2 LYS A 54 1.984 -6.305 -14.040 1.00 12.35 H new ATOM 0 HZ3 LYS A 54 2.941 -5.129 -14.805 1.00 12.35 H new ATOM 791 N LEU A 55 3.153 -3.234 -6.786 1.00 5.31 N ATOM 792 CA LEU A 55 2.594 -2.323 -5.776 1.00 24.31 C ATOM 793 C LEU A 55 3.636 -1.934 -4.711 1.00 22.33 C ATOM 794 O LEU A 55 3.866 -0.750 -4.452 1.00 74.42 O ATOM 795 CB LEU A 55 1.372 -2.981 -5.113 1.00 63.31 C ATOM 796 CG LEU A 55 0.802 -2.265 -3.871 1.00 54.45 C ATOM 797 CD1 LEU A 55 0.463 -0.806 -4.174 1.00 31.31 C ATOM 798 CD2 LEU A 55 -0.431 -3.003 -3.357 1.00 21.40 C ATOM 0 H LEU A 55 2.697 -4.146 -6.821 1.00 5.31 H new ATOM 0 HA LEU A 55 2.291 -1.405 -6.279 1.00 24.31 H new ATOM 0 HB2 LEU A 55 0.579 -3.059 -5.857 1.00 63.31 H new ATOM 0 HB3 LEU A 55 1.643 -3.998 -4.828 1.00 63.31 H new ATOM 0 HG LEU A 55 1.569 -2.273 -3.097 1.00 54.45 H new ATOM 0 HD11 LEU A 55 0.064 -0.331 -3.278 1.00 31.31 H new ATOM 0 HD12 LEU A 55 1.364 -0.281 -4.492 1.00 31.31 H new ATOM 0 HD13 LEU A 55 -0.281 -0.763 -4.969 1.00 31.31 H new ATOM 0 HD21 LEU A 55 -0.824 -2.488 -2.480 1.00 21.40 H new ATOM 0 HD22 LEU A 55 -1.193 -3.026 -4.136 1.00 21.40 H new ATOM 0 HD23 LEU A 55 -0.158 -4.023 -3.087 1.00 21.40 H new ATOM 810 N VAL A 56 4.270 -2.935 -4.104 1.00 72.04 N ATOM 811 CA VAL A 56 5.258 -2.701 -3.042 1.00 25.32 C ATOM 812 C VAL A 56 6.408 -1.801 -3.516 1.00 35.25 C ATOM 813 O VAL A 56 6.907 -0.965 -2.761 1.00 62.44 O ATOM 814 CB VAL A 56 5.827 -4.037 -2.508 1.00 54.14 C ATOM 815 CG1 VAL A 56 6.906 -3.796 -1.454 1.00 10.54 C ATOM 816 CG2 VAL A 56 4.706 -4.899 -1.939 1.00 4.52 C ATOM 0 H VAL A 56 4.120 -3.919 -4.327 1.00 72.04 H new ATOM 0 HA VAL A 56 4.735 -2.188 -2.235 1.00 25.32 H new ATOM 0 HB VAL A 56 6.288 -4.566 -3.342 1.00 54.14 H new ATOM 0 HG11 VAL A 56 7.287 -4.753 -1.098 1.00 10.54 H new ATOM 0 HG12 VAL A 56 7.722 -3.222 -1.893 1.00 10.54 H new ATOM 0 HG13 VAL A 56 6.480 -3.241 -0.618 1.00 10.54 H new ATOM 0 HG21 VAL A 56 5.121 -5.836 -1.567 1.00 4.52 H new ATOM 0 HG22 VAL A 56 4.218 -4.368 -1.122 1.00 4.52 H new ATOM 0 HG23 VAL A 56 3.977 -5.110 -2.721 1.00 4.52 H new ATOM 826 N LYS A 57 6.817 -1.968 -4.768 1.00 13.12 N ATOM 827 CA LYS A 57 7.885 -1.146 -5.348 1.00 2.41 C ATOM 828 C LYS A 57 7.469 0.332 -5.436 1.00 24.14 C ATOM 829 O LYS A 57 8.257 1.218 -5.107 1.00 21.24 O ATOM 830 CB LYS A 57 8.288 -1.708 -6.717 1.00 65.43 C ATOM 831 CG LYS A 57 8.969 -3.069 -6.606 1.00 24.22 C ATOM 832 CD LYS A 57 9.173 -3.745 -7.958 1.00 11.41 C ATOM 833 CE LYS A 57 9.856 -5.098 -7.792 1.00 71.31 C ATOM 834 NZ LYS A 57 9.938 -5.855 -9.067 1.00 22.44 N ATOM 0 H LYS A 57 6.429 -2.664 -5.405 1.00 13.12 H new ATOM 0 HA LYS A 57 8.755 -1.187 -4.692 1.00 2.41 H new ATOM 0 HB2 LYS A 57 7.402 -1.798 -7.346 1.00 65.43 H new ATOM 0 HB3 LYS A 57 8.960 -1.007 -7.212 1.00 65.43 H new ATOM 0 HG2 LYS A 57 9.936 -2.947 -6.118 1.00 24.22 H new ATOM 0 HG3 LYS A 57 8.369 -3.718 -5.968 1.00 24.22 H new ATOM 0 HD2 LYS A 57 8.210 -3.877 -8.452 1.00 11.41 H new ATOM 0 HD3 LYS A 57 9.776 -3.105 -8.602 1.00 11.41 H new ATOM 0 HE2 LYS A 57 10.861 -4.948 -7.397 1.00 71.31 H new ATOM 0 HE3 LYS A 57 9.310 -5.689 -7.057 1.00 71.31 H new ATOM 0 HZ1 LYS A 57 10.632 -6.624 -8.970 1.00 22.44 H new ATOM 0 HZ2 LYS A 57 9.006 -6.257 -9.293 1.00 22.44 H new ATOM 0 HZ3 LYS A 57 10.234 -5.216 -9.832 1.00 22.44 H new ATOM 848 N GLU A 58 6.224 0.594 -5.847 1.00 34.25 N ATOM 849 CA GLU A 58 5.693 1.967 -5.840 1.00 45.11 C ATOM 850 C GLU A 58 5.681 2.540 -4.410 1.00 23.23 C ATOM 851 O GLU A 58 6.040 3.699 -4.187 1.00 70.22 O ATOM 852 CB GLU A 58 4.272 2.021 -6.439 1.00 63.31 C ATOM 853 CG GLU A 58 4.201 1.667 -7.924 1.00 13.24 C ATOM 854 CD GLU A 58 2.934 2.185 -8.604 1.00 14.03 C ATOM 855 OE1 GLU A 58 1.851 2.143 -7.982 1.00 4.23 O ATOM 856 OE2 GLU A 58 3.027 2.664 -9.759 1.00 13.34 O ATOM 0 H GLU A 58 5.571 -0.113 -6.185 1.00 34.25 H new ATOM 0 HA GLU A 58 6.351 2.576 -6.460 1.00 45.11 H new ATOM 0 HB2 GLU A 58 3.630 1.337 -5.884 1.00 63.31 H new ATOM 0 HB3 GLU A 58 3.868 3.024 -6.297 1.00 63.31 H new ATOM 0 HG2 GLU A 58 5.073 2.079 -8.432 1.00 13.24 H new ATOM 0 HG3 GLU A 58 4.249 0.584 -8.036 1.00 13.24 H new ATOM 863 N LEU A 59 5.274 1.712 -3.443 1.00 43.45 N ATOM 864 CA LEU A 59 5.272 2.101 -2.025 1.00 75.43 C ATOM 865 C LEU A 59 6.678 2.505 -1.544 1.00 1.42 C ATOM 866 O LEU A 59 6.864 3.585 -0.983 1.00 14.24 O ATOM 867 CB LEU A 59 4.740 0.947 -1.165 1.00 14.21 C ATOM 868 CG LEU A 59 3.295 0.513 -1.469 1.00 63.43 C ATOM 869 CD1 LEU A 59 2.938 -0.755 -0.694 1.00 4.20 C ATOM 870 CD2 LEU A 59 2.314 1.641 -1.151 1.00 24.20 C ATOM 0 H LEU A 59 4.940 0.764 -3.615 1.00 43.45 H new ATOM 0 HA LEU A 59 4.620 2.968 -1.920 1.00 75.43 H new ATOM 0 HB2 LEU A 59 5.396 0.086 -1.295 1.00 14.21 H new ATOM 0 HB3 LEU A 59 4.802 1.239 -0.117 1.00 14.21 H new ATOM 0 HG LEU A 59 3.221 0.291 -2.534 1.00 63.43 H new ATOM 0 HD11 LEU A 59 1.912 -1.045 -0.923 1.00 4.20 H new ATOM 0 HD12 LEU A 59 3.615 -1.560 -0.981 1.00 4.20 H new ATOM 0 HD13 LEU A 59 3.031 -0.566 0.375 1.00 4.20 H new ATOM 0 HD21 LEU A 59 1.298 1.313 -1.373 1.00 24.20 H new ATOM 0 HD22 LEU A 59 2.389 1.901 -0.095 1.00 24.20 H new ATOM 0 HD23 LEU A 59 2.554 2.514 -1.758 1.00 24.20 H new ATOM 882 N ASN A 60 7.664 1.630 -1.772 1.00 62.25 N ATOM 883 CA ASN A 60 9.059 1.913 -1.391 1.00 73.42 C ATOM 884 C ASN A 60 9.558 3.220 -2.020 1.00 63.05 C ATOM 885 O ASN A 60 10.023 4.121 -1.317 1.00 15.34 O ATOM 886 CB ASN A 60 9.983 0.756 -1.800 1.00 74.13 C ATOM 887 CG ASN A 60 9.941 -0.398 -0.815 1.00 14.44 C ATOM 888 OD1 ASN A 60 10.684 -0.421 0.155 1.00 21.12 O ATOM 889 ND2 ASN A 60 9.083 -1.367 -1.054 1.00 12.23 N ATOM 0 H ASN A 60 7.526 0.722 -2.217 1.00 62.25 H new ATOM 0 HA ASN A 60 9.082 2.021 -0.307 1.00 73.42 H new ATOM 0 HB2 ASN A 60 9.695 0.397 -2.788 1.00 74.13 H new ATOM 0 HB3 ASN A 60 11.006 1.123 -1.881 1.00 74.13 H new ATOM 0 HD21 ASN A 60 9.026 -2.165 -0.421 1.00 12.23 H new ATOM 0 HD22 ASN A 60 8.475 -1.320 -1.872 1.00 12.23 H new ATOM 896 N GLU A 61 9.447 3.322 -3.346 1.00 4.24 N ATOM 897 CA GLU A 61 9.873 4.525 -4.071 1.00 73.31 C ATOM 898 C GLU A 61 9.210 5.792 -3.502 1.00 21.30 C ATOM 899 O GLU A 61 9.798 6.873 -3.529 1.00 5.42 O ATOM 900 CB GLU A 61 9.549 4.389 -5.565 1.00 13.34 C ATOM 901 CG GLU A 61 10.307 3.264 -6.263 1.00 11.31 C ATOM 902 CD GLU A 61 9.941 3.133 -7.733 1.00 1.03 C ATOM 903 OE1 GLU A 61 10.593 3.790 -8.575 1.00 54.12 O ATOM 904 OE2 GLU A 61 8.994 2.387 -8.057 1.00 61.51 O ATOM 0 H GLU A 61 9.066 2.587 -3.941 1.00 4.24 H new ATOM 0 HA GLU A 61 10.951 4.623 -3.944 1.00 73.31 H new ATOM 0 HB2 GLU A 61 8.479 4.219 -5.680 1.00 13.34 H new ATOM 0 HB3 GLU A 61 9.777 5.331 -6.063 1.00 13.34 H new ATOM 0 HG2 GLU A 61 11.378 3.444 -6.174 1.00 11.31 H new ATOM 0 HG3 GLU A 61 10.099 2.322 -5.756 1.00 11.31 H new ATOM 911 N TYR A 62 7.984 5.650 -2.991 1.00 61.11 N ATOM 912 CA TYR A 62 7.271 6.767 -2.359 1.00 21.23 C ATOM 913 C TYR A 62 7.918 7.172 -1.025 1.00 51.41 C ATOM 914 O TYR A 62 8.132 8.357 -0.759 1.00 53.41 O ATOM 915 CB TYR A 62 5.799 6.401 -2.133 1.00 44.35 C ATOM 916 CG TYR A 62 4.990 7.508 -1.482 1.00 20.12 C ATOM 917 CD1 TYR A 62 4.503 8.571 -2.235 1.00 43.20 C ATOM 918 CD2 TYR A 62 4.721 7.493 -0.116 1.00 33.13 C ATOM 919 CE1 TYR A 62 3.771 9.584 -1.650 1.00 3.54 C ATOM 920 CE2 TYR A 62 3.993 8.504 0.477 1.00 0.55 C ATOM 921 CZ TYR A 62 3.518 9.547 -0.293 1.00 54.35 C ATOM 922 OH TYR A 62 2.798 10.561 0.300 1.00 74.43 O ATOM 0 H TYR A 62 7.463 4.773 -3.002 1.00 61.11 H new ATOM 0 HA TYR A 62 7.333 7.619 -3.036 1.00 21.23 H new ATOM 0 HB2 TYR A 62 5.346 6.146 -3.091 1.00 44.35 H new ATOM 0 HB3 TYR A 62 5.747 5.509 -1.509 1.00 44.35 H new ATOM 0 HD1 TYR A 62 4.701 8.604 -3.296 1.00 43.20 H new ATOM 0 HD2 TYR A 62 5.088 6.677 0.489 1.00 33.13 H new ATOM 0 HE1 TYR A 62 3.398 10.401 -2.250 1.00 3.54 H new ATOM 0 HE2 TYR A 62 3.796 8.480 1.539 1.00 0.55 H new ATOM 0 HH TYR A 62 2.709 10.381 1.259 1.00 74.43 H new ATOM 932 N PHE A 63 8.226 6.189 -0.181 1.00 21.24 N ATOM 933 CA PHE A 63 8.897 6.460 1.094 1.00 13.33 C ATOM 934 C PHE A 63 10.275 7.098 0.870 1.00 30.11 C ATOM 935 O PHE A 63 10.735 7.906 1.680 1.00 72.52 O ATOM 936 CB PHE A 63 9.015 5.180 1.936 1.00 22.21 C ATOM 937 CG PHE A 63 7.715 4.775 2.587 1.00 11.33 C ATOM 938 CD1 PHE A 63 7.297 5.392 3.757 1.00 24.02 C ATOM 939 CD2 PHE A 63 6.911 3.793 2.029 1.00 5.05 C ATOM 940 CE1 PHE A 63 6.105 5.038 4.357 1.00 64.11 C ATOM 941 CE2 PHE A 63 5.718 3.433 2.627 1.00 24.14 C ATOM 942 CZ PHE A 63 5.315 4.056 3.791 1.00 52.11 C ATOM 0 H PHE A 63 8.025 5.204 -0.353 1.00 21.24 H new ATOM 0 HA PHE A 63 8.285 7.173 1.647 1.00 13.33 H new ATOM 0 HB2 PHE A 63 9.365 4.366 1.301 1.00 22.21 H new ATOM 0 HB3 PHE A 63 9.770 5.329 2.708 1.00 22.21 H new ATOM 0 HD1 PHE A 63 7.912 6.159 4.204 1.00 24.02 H new ATOM 0 HD2 PHE A 63 7.220 3.304 1.117 1.00 5.05 H new ATOM 0 HE1 PHE A 63 5.791 5.528 5.267 1.00 64.11 H new ATOM 0 HE2 PHE A 63 5.102 2.665 2.184 1.00 24.14 H new ATOM 0 HZ PHE A 63 4.383 3.776 4.259 1.00 52.11 H new