USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 584 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 NoAdj : A 60 ASNHD21 : A 60 ASN OD1 : A 192 CACA :(metal ligand) USER MOD NoAdj : A 60 ASNHD22 : A 60 ASN OD1 : A 192 CACA :(metal ligand) USER MOD Set 1.1: A 70 SER OG : rot -119:sc= -0.0384 USER MOD Set 1.2: A 74 LYS NZ :NH3+ 171:sc= -0.713! (180deg=-0.834) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -153:sc= 0.732 (180deg=-0.15) USER MOD Single : A 26 CYS SG : rot 180:sc= -0.2 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.419 USER MOD Single : A 34 THR OG1 : rot 74:sc= 0.00236 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.481 X(o=-0.48,f=-0.65) USER MOD Single : A 42 ASN :FLIP amide:sc= -0.511 F(o=-1.5!,f=-0.51) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.169 X(o=-0.17,f=-0.18) USER MOD Single : A 51 MET CE :methyl -140:sc= -0.103 (180deg=-1.98!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= -3.04! USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ -138:sc= -0.0385 (180deg=-0.536) USER MOD Single : A 79 THR OG1 : rot -72:sc= 1.14 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -21.406 -13.311 12.179 1.00 0.00 N ATOM 2 CA ALA A 1 -22.872 -13.056 12.259 1.00 0.00 C ATOM 3 C ALA A 1 -23.449 -12.961 10.847 1.00 0.00 C ATOM 4 O ALA A 1 -23.494 -13.952 10.116 1.00 0.00 O ATOM 5 CB ALA A 1 -23.119 -11.749 13.015 1.00 0.00 C ATOM 0 H1 ALA A 1 -21.012 -13.376 13.139 1.00 0.00 H new ATOM 0 H2 ALA A 1 -21.236 -14.204 11.674 1.00 0.00 H new ATOM 0 H3 ALA A 1 -20.945 -12.531 11.668 1.00 0.00 H new ATOM 0 HA ALA A 1 -23.360 -13.874 12.789 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -24.191 -11.560 13.075 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -22.708 -11.827 14.021 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -22.635 -10.927 12.488 1.00 0.00 H new ATOM 13 N ASP A 2 -23.890 -11.761 10.470 1.00 0.00 N ATOM 14 CA ASP A 2 -24.466 -11.545 9.144 1.00 0.00 C ATOM 15 C ASP A 2 -23.397 -11.677 8.066 1.00 0.00 C ATOM 16 O ASP A 2 -22.280 -11.178 8.215 1.00 0.00 O ATOM 17 CB ASP A 2 -25.086 -10.151 9.069 1.00 0.00 C ATOM 18 CG ASP A 2 -26.354 -10.095 9.911 1.00 0.00 C ATOM 19 OD1 ASP A 2 -26.875 -11.151 10.232 1.00 0.00 O ATOM 20 OD2 ASP A 2 -26.790 -8.999 10.220 1.00 0.00 O ATOM 0 H ASP A 2 -23.860 -10.929 11.060 1.00 0.00 H new ATOM 0 HA ASP A 2 -25.234 -12.300 8.976 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -24.372 -9.408 9.423 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -25.317 -9.903 8.033 1.00 0.00 H new ATOM 25 N ILE A 3 -23.744 -12.356 6.976 1.00 0.00 N ATOM 26 CA ILE A 3 -22.814 -12.567 5.865 1.00 0.00 C ATOM 27 C ILE A 3 -23.276 -11.787 4.638 1.00 0.00 C ATOM 28 O ILE A 3 -23.150 -12.255 3.507 1.00 0.00 O ATOM 29 CB ILE A 3 -22.741 -14.070 5.535 1.00 0.00 C ATOM 30 CG1 ILE A 3 -24.155 -14.694 5.655 1.00 0.00 C ATOM 31 CG2 ILE A 3 -21.768 -14.772 6.500 1.00 0.00 C ATOM 32 CD1 ILE A 3 -24.407 -15.197 7.089 1.00 0.00 C ATOM 0 H ILE A 3 -24.665 -12.772 6.836 1.00 0.00 H new ATOM 0 HA ILE A 3 -21.825 -12.211 6.153 1.00 0.00 H new ATOM 0 HB ILE A 3 -22.377 -14.200 4.516 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -24.909 -13.954 5.386 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -24.254 -15.521 4.951 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -21.721 -15.834 6.261 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -20.775 -14.333 6.399 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -22.118 -14.646 7.525 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -25.405 -15.631 7.152 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -23.665 -15.953 7.345 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -24.330 -14.363 7.786 1.00 0.00 H new ATOM 44 N LEU A 4 -23.818 -10.595 4.862 1.00 0.00 N ATOM 45 CA LEU A 4 -24.297 -9.783 3.752 1.00 0.00 C ATOM 46 C LEU A 4 -23.154 -9.478 2.796 1.00 0.00 C ATOM 47 O LEU A 4 -23.278 -9.684 1.589 1.00 0.00 O ATOM 48 CB LEU A 4 -24.879 -8.466 4.290 1.00 0.00 C ATOM 49 CG LEU A 4 -26.148 -8.748 5.121 1.00 0.00 C ATOM 50 CD1 LEU A 4 -26.414 -7.582 6.083 1.00 0.00 C ATOM 51 CD2 LEU A 4 -27.359 -8.917 4.190 1.00 0.00 C ATOM 0 H LEU A 4 -23.935 -10.176 5.785 1.00 0.00 H new ATOM 0 HA LEU A 4 -25.071 -10.334 3.218 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -24.138 -7.956 4.905 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -25.118 -7.800 3.461 1.00 0.00 H new ATOM 0 HG LEU A 4 -25.995 -9.665 5.691 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -27.311 -7.789 6.666 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -25.564 -7.464 6.755 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -26.556 -6.664 5.512 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -28.250 -9.116 4.785 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -27.504 -8.004 3.613 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -27.182 -9.751 3.511 1.00 0.00 H new ATOM 63 N SER A 5 -22.040 -9.005 3.344 1.00 0.00 N ATOM 64 CA SER A 5 -20.870 -8.685 2.531 1.00 0.00 C ATOM 65 C SER A 5 -19.764 -8.080 3.392 1.00 0.00 C ATOM 66 O SER A 5 -18.733 -7.648 2.879 1.00 0.00 O ATOM 67 CB SER A 5 -21.250 -7.698 1.419 1.00 0.00 C ATOM 68 OG SER A 5 -22.121 -6.709 1.952 1.00 0.00 O ATOM 0 H SER A 5 -21.921 -8.835 4.343 1.00 0.00 H new ATOM 0 HA SER A 5 -20.504 -9.610 2.084 1.00 0.00 H new ATOM 0 HB2 SER A 5 -20.355 -7.230 1.010 1.00 0.00 H new ATOM 0 HB3 SER A 5 -21.737 -8.225 0.599 1.00 0.00 H new ATOM 0 HG SER A 5 -22.366 -6.074 1.247 1.00 0.00 H new ATOM 74 N GLU A 6 -19.986 -8.040 4.700 1.00 0.00 N ATOM 75 CA GLU A 6 -18.999 -7.472 5.612 1.00 0.00 C ATOM 76 C GLU A 6 -17.858 -8.453 5.864 1.00 0.00 C ATOM 77 O GLU A 6 -17.131 -8.329 6.847 1.00 0.00 O ATOM 78 CB GLU A 6 -19.663 -7.111 6.942 1.00 0.00 C ATOM 79 CG GLU A 6 -20.641 -5.957 6.720 1.00 0.00 C ATOM 80 CD GLU A 6 -21.390 -5.648 8.011 1.00 0.00 C ATOM 81 OE1 GLU A 6 -21.088 -6.277 9.013 1.00 0.00 O ATOM 82 OE2 GLU A 6 -22.254 -4.788 7.981 1.00 0.00 O ATOM 0 H GLU A 6 -20.832 -8.390 5.150 1.00 0.00 H new ATOM 0 HA GLU A 6 -18.590 -6.574 5.150 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -20.189 -7.976 7.346 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -18.907 -6.827 7.674 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -20.101 -5.072 6.383 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -21.349 -6.217 5.933 1.00 0.00 H new ATOM 89 N GLU A 7 -17.703 -9.428 4.971 1.00 0.00 N ATOM 90 CA GLU A 7 -16.640 -10.422 5.116 1.00 0.00 C ATOM 91 C GLU A 7 -15.360 -9.943 4.433 1.00 0.00 C ATOM 92 O GLU A 7 -14.340 -9.734 5.089 1.00 0.00 O ATOM 93 CB GLU A 7 -17.086 -11.756 4.513 1.00 0.00 C ATOM 94 CG GLU A 7 -16.007 -12.813 4.763 1.00 0.00 C ATOM 95 CD GLU A 7 -16.467 -14.165 4.231 1.00 0.00 C ATOM 96 OE1 GLU A 7 -17.635 -14.281 3.899 1.00 0.00 O ATOM 97 OE2 GLU A 7 -15.647 -15.065 4.171 1.00 0.00 O ATOM 0 H GLU A 7 -18.292 -9.551 4.148 1.00 0.00 H new ATOM 0 HA GLU A 7 -16.436 -10.559 6.178 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -18.030 -12.071 4.958 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -17.260 -11.644 3.443 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -15.078 -12.518 4.275 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -15.798 -12.885 5.830 1.00 0.00 H new ATOM 104 N GLN A 8 -15.418 -9.773 3.114 1.00 0.00 N ATOM 105 CA GLN A 8 -14.254 -9.319 2.365 1.00 0.00 C ATOM 106 C GLN A 8 -13.877 -7.898 2.775 1.00 0.00 C ATOM 107 O GLN A 8 -12.697 -7.552 2.830 1.00 0.00 O ATOM 108 CB GLN A 8 -14.536 -9.373 0.861 1.00 0.00 C ATOM 109 CG GLN A 8 -15.854 -8.657 0.562 1.00 0.00 C ATOM 110 CD GLN A 8 -16.140 -8.683 -0.935 1.00 0.00 C ATOM 111 OE1 GLN A 8 -16.227 -9.755 -1.534 1.00 0.00 O ATOM 112 NE2 GLN A 8 -16.291 -7.559 -1.579 1.00 0.00 N ATOM 0 H GLN A 8 -16.250 -9.941 2.549 1.00 0.00 H new ATOM 0 HA GLN A 8 -13.419 -9.982 2.591 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -13.721 -8.902 0.311 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -14.589 -10.409 0.527 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -16.668 -9.138 1.104 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -15.804 -7.626 0.912 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -16.219 -6.672 -1.081 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -16.482 -7.567 -2.581 1.00 0.00 H new ATOM 121 N ILE A 9 -14.884 -7.076 3.059 1.00 0.00 N ATOM 122 CA ILE A 9 -14.625 -5.697 3.458 1.00 0.00 C ATOM 123 C ILE A 9 -13.821 -5.661 4.750 1.00 0.00 C ATOM 124 O ILE A 9 -12.826 -4.944 4.843 1.00 0.00 O ATOM 125 CB ILE A 9 -15.945 -4.943 3.652 1.00 0.00 C ATOM 126 CG1 ILE A 9 -16.801 -5.088 2.385 1.00 0.00 C ATOM 127 CG2 ILE A 9 -15.661 -3.461 3.914 1.00 0.00 C ATOM 128 CD1 ILE A 9 -16.040 -4.559 1.158 1.00 0.00 C ATOM 0 H ILE A 9 -15.870 -7.335 3.021 1.00 0.00 H new ATOM 0 HA ILE A 9 -14.050 -5.213 2.668 1.00 0.00 H new ATOM 0 HB ILE A 9 -16.480 -5.360 4.505 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -17.063 -6.135 2.234 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -17.735 -4.539 2.505 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -16.602 -2.929 4.051 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -15.053 -3.360 4.813 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -15.125 -3.037 3.064 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -16.661 -4.669 0.269 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -15.800 -3.506 1.305 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -15.118 -5.126 1.029 1.00 0.00 H new ATOM 140 N VAL A 10 -14.242 -6.443 5.738 1.00 0.00 N ATOM 141 CA VAL A 10 -13.525 -6.477 7.004 1.00 0.00 C ATOM 142 C VAL A 10 -12.101 -6.976 6.790 1.00 0.00 C ATOM 143 O VAL A 10 -11.149 -6.394 7.307 1.00 0.00 O ATOM 144 CB VAL A 10 -14.260 -7.380 8.008 1.00 0.00 C ATOM 145 CG1 VAL A 10 -13.381 -7.602 9.246 1.00 0.00 C ATOM 146 CG2 VAL A 10 -15.572 -6.707 8.431 1.00 0.00 C ATOM 0 H VAL A 10 -15.060 -7.050 5.688 1.00 0.00 H new ATOM 0 HA VAL A 10 -13.484 -5.466 7.409 1.00 0.00 H new ATOM 0 HB VAL A 10 -14.473 -8.341 7.540 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -13.906 -8.242 9.955 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -12.447 -8.079 8.948 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -13.165 -6.642 9.715 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -16.095 -7.345 9.143 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -15.354 -5.746 8.897 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -16.200 -6.551 7.554 1.00 0.00 H new ATOM 156 N ASP A 11 -11.951 -8.053 6.029 1.00 0.00 N ATOM 157 CA ASP A 11 -10.623 -8.593 5.775 1.00 0.00 C ATOM 158 C ASP A 11 -9.793 -7.587 4.988 1.00 0.00 C ATOM 159 O ASP A 11 -8.613 -7.386 5.272 1.00 0.00 O ATOM 160 CB ASP A 11 -10.736 -9.920 4.998 1.00 0.00 C ATOM 161 CG ASP A 11 -10.960 -11.093 5.954 1.00 0.00 C ATOM 162 OD1 ASP A 11 -10.588 -10.978 7.112 1.00 0.00 O ATOM 163 OD2 ASP A 11 -11.509 -12.089 5.517 1.00 0.00 O ATOM 0 H ASP A 11 -12.716 -8.561 5.585 1.00 0.00 H new ATOM 0 HA ASP A 11 -10.127 -8.785 6.727 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -11.561 -9.861 4.288 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -9.828 -10.086 4.419 1.00 0.00 H new ATOM 168 N PHE A 12 -10.415 -6.962 3.995 1.00 0.00 N ATOM 169 CA PHE A 12 -9.712 -5.982 3.177 1.00 0.00 C ATOM 170 C PHE A 12 -9.280 -4.798 4.034 1.00 0.00 C ATOM 171 O PHE A 12 -8.131 -4.361 3.970 1.00 0.00 O ATOM 172 CB PHE A 12 -10.612 -5.500 2.022 1.00 0.00 C ATOM 173 CG PHE A 12 -10.510 -6.460 0.852 1.00 0.00 C ATOM 174 CD1 PHE A 12 -10.449 -7.842 1.070 1.00 0.00 C ATOM 175 CD2 PHE A 12 -10.481 -5.961 -0.452 1.00 0.00 C ATOM 176 CE1 PHE A 12 -10.352 -8.718 -0.013 1.00 0.00 C ATOM 177 CE2 PHE A 12 -10.384 -6.841 -1.537 1.00 0.00 C ATOM 178 CZ PHE A 12 -10.321 -8.218 -1.317 1.00 0.00 C ATOM 0 H PHE A 12 -11.391 -7.113 3.739 1.00 0.00 H new ATOM 0 HA PHE A 12 -8.826 -6.454 2.753 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -11.646 -5.433 2.359 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -10.313 -4.499 1.710 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -10.477 -8.231 2.077 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -10.533 -4.896 -0.624 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -10.301 -9.783 0.158 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -10.358 -6.454 -2.545 1.00 0.00 H new ATOM 0 HZ PHE A 12 -10.248 -8.896 -2.154 1.00 0.00 H new ATOM 188 N LYS A 13 -10.209 -4.279 4.829 1.00 0.00 N ATOM 189 CA LYS A 13 -9.914 -3.143 5.688 1.00 0.00 C ATOM 190 C LYS A 13 -8.841 -3.516 6.704 1.00 0.00 C ATOM 191 O LYS A 13 -8.003 -2.689 7.061 1.00 0.00 O ATOM 192 CB LYS A 13 -11.195 -2.678 6.400 1.00 0.00 C ATOM 193 CG LYS A 13 -11.037 -1.224 6.871 1.00 0.00 C ATOM 194 CD LYS A 13 -12.366 -0.716 7.439 1.00 0.00 C ATOM 195 CE LYS A 13 -12.201 0.730 7.916 1.00 0.00 C ATOM 196 NZ LYS A 13 -13.362 1.109 8.770 1.00 0.00 N ATOM 0 H LYS A 13 -11.166 -4.625 4.895 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.538 -2.323 5.077 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -12.046 -2.759 5.724 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -11.402 -3.325 7.253 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -10.258 -1.161 7.631 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -10.722 -0.594 6.039 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -13.144 -0.772 6.677 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -12.685 -1.349 8.267 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -11.273 0.835 8.478 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -12.132 1.401 7.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -13.249 2.091 9.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -14.240 1.025 8.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -13.408 0.476 9.594 1.00 0.00 H new ATOM 210 N GLU A 14 -8.858 -4.764 7.159 1.00 0.00 N ATOM 211 CA GLU A 14 -7.863 -5.213 8.123 1.00 0.00 C ATOM 212 C GLU A 14 -6.482 -5.215 7.489 1.00 0.00 C ATOM 213 O GLU A 14 -5.488 -4.888 8.134 1.00 0.00 O ATOM 214 CB GLU A 14 -8.196 -6.617 8.609 1.00 0.00 C ATOM 215 CG GLU A 14 -7.434 -6.907 9.911 1.00 0.00 C ATOM 216 CD GLU A 14 -8.097 -6.180 11.078 1.00 0.00 C ATOM 217 OE1 GLU A 14 -9.130 -5.569 10.859 1.00 0.00 O ATOM 218 OE2 GLU A 14 -7.565 -6.249 12.175 1.00 0.00 O ATOM 0 H GLU A 14 -9.538 -5.472 6.881 1.00 0.00 H new ATOM 0 HA GLU A 14 -7.871 -4.527 8.970 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -9.269 -6.710 8.776 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.927 -7.349 7.848 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -7.419 -7.980 10.102 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.397 -6.586 9.814 1.00 0.00 H new ATOM 225 N ALA A 15 -6.435 -5.566 6.214 1.00 0.00 N ATOM 226 CA ALA A 15 -5.164 -5.579 5.497 1.00 0.00 C ATOM 227 C ALA A 15 -4.635 -4.154 5.340 1.00 0.00 C ATOM 228 O ALA A 15 -3.437 -3.905 5.505 1.00 0.00 O ATOM 229 CB ALA A 15 -5.319 -6.227 4.118 1.00 0.00 C ATOM 0 H ALA A 15 -7.245 -5.842 5.659 1.00 0.00 H new ATOM 0 HA ALA A 15 -4.454 -6.167 6.078 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.358 -6.224 3.604 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.665 -7.254 4.235 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -6.045 -5.665 3.531 1.00 0.00 H new ATOM 235 N PHE A 16 -5.531 -3.210 5.044 1.00 0.00 N ATOM 236 CA PHE A 16 -5.131 -1.818 4.892 1.00 0.00 C ATOM 237 C PHE A 16 -4.744 -1.213 6.238 1.00 0.00 C ATOM 238 O PHE A 16 -3.691 -0.593 6.369 1.00 0.00 O ATOM 239 CB PHE A 16 -6.285 -1.013 4.289 1.00 0.00 C ATOM 240 CG PHE A 16 -5.887 0.438 4.189 1.00 0.00 C ATOM 241 CD1 PHE A 16 -6.117 1.301 5.266 1.00 0.00 C ATOM 242 CD2 PHE A 16 -5.292 0.921 3.020 1.00 0.00 C ATOM 243 CE1 PHE A 16 -5.747 2.648 5.174 1.00 0.00 C ATOM 244 CE2 PHE A 16 -4.922 2.266 2.928 1.00 0.00 C ATOM 245 CZ PHE A 16 -5.151 3.128 4.002 1.00 0.00 C ATOM 0 H PHE A 16 -6.526 -3.385 4.907 1.00 0.00 H new ATOM 0 HA PHE A 16 -4.266 -1.781 4.230 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -6.537 -1.401 3.302 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -7.176 -1.115 4.908 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -6.580 0.928 6.168 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -5.118 0.255 2.188 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -5.921 3.315 6.005 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -4.459 2.638 2.026 1.00 0.00 H new ATOM 0 HZ PHE A 16 -4.868 4.168 3.928 1.00 0.00 H new ATOM 255 N GLY A 17 -5.608 -1.390 7.235 1.00 0.00 N ATOM 256 CA GLY A 17 -5.337 -0.843 8.556 1.00 0.00 C ATOM 257 C GLY A 17 -4.033 -1.400 9.102 1.00 0.00 C ATOM 258 O GLY A 17 -3.229 -0.666 9.676 1.00 0.00 O ATOM 0 H GLY A 17 -6.488 -1.900 7.153 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.281 0.244 8.502 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.156 -1.087 9.233 1.00 0.00 H new ATOM 262 N LEU A 18 -3.817 -2.697 8.909 1.00 0.00 N ATOM 263 CA LEU A 18 -2.600 -3.330 9.375 1.00 0.00 C ATOM 264 C LEU A 18 -1.389 -2.701 8.687 1.00 0.00 C ATOM 265 O LEU A 18 -0.349 -2.493 9.310 1.00 0.00 O ATOM 266 CB LEU A 18 -2.668 -4.842 9.087 1.00 0.00 C ATOM 267 CG LEU A 18 -3.524 -5.561 10.144 1.00 0.00 C ATOM 268 CD1 LEU A 18 -3.807 -6.997 9.675 1.00 0.00 C ATOM 269 CD2 LEU A 18 -2.781 -5.605 11.497 1.00 0.00 C ATOM 0 H LEU A 18 -4.468 -3.323 8.435 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.497 -3.181 10.450 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.089 -5.009 8.096 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.662 -5.261 9.081 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.460 -5.017 10.271 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.413 -7.511 10.421 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.344 -6.971 8.727 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.865 -7.529 9.544 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.399 -6.117 12.235 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.839 -6.141 11.378 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.579 -4.588 11.835 1.00 0.00 H new ATOM 281 N PHE A 19 -1.533 -2.397 7.402 1.00 0.00 N ATOM 282 CA PHE A 19 -0.445 -1.781 6.634 1.00 0.00 C ATOM 283 C PHE A 19 -0.192 -0.378 7.105 1.00 0.00 C ATOM 284 O PHE A 19 0.955 0.053 7.222 1.00 0.00 O ATOM 285 CB PHE A 19 -0.801 -1.799 5.138 1.00 0.00 C ATOM 286 CG PHE A 19 -0.961 -3.245 4.639 1.00 0.00 C ATOM 287 CD1 PHE A 19 -0.722 -4.365 5.487 1.00 0.00 C ATOM 288 CD2 PHE A 19 -1.361 -3.479 3.311 1.00 0.00 C ATOM 289 CE1 PHE A 19 -0.878 -5.648 5.026 1.00 0.00 C ATOM 290 CE2 PHE A 19 -1.515 -4.807 2.853 1.00 0.00 C ATOM 291 CZ PHE A 19 -1.269 -5.881 3.718 1.00 0.00 C ATOM 0 H PHE A 19 -2.386 -2.564 6.868 1.00 0.00 H new ATOM 0 HA PHE A 19 0.470 -2.353 6.788 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -1.726 -1.246 4.972 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -0.021 -1.295 4.567 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -0.413 -4.201 6.509 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -1.549 -2.649 2.646 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.695 -6.482 5.688 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -1.823 -4.994 1.835 1.00 0.00 H new ATOM 0 HZ PHE A 19 -1.385 -6.895 3.364 1.00 0.00 H new ATOM 301 N ASP A 20 -1.262 0.326 7.381 1.00 0.00 N ATOM 302 CA ASP A 20 -1.154 1.685 7.847 1.00 0.00 C ATOM 303 C ASP A 20 -0.797 1.717 9.333 1.00 0.00 C ATOM 304 O ASP A 20 -1.441 2.396 10.126 1.00 0.00 O ATOM 305 CB ASP A 20 -2.476 2.383 7.581 1.00 0.00 C ATOM 306 CG ASP A 20 -2.483 3.772 8.209 1.00 0.00 C ATOM 307 OD1 ASP A 20 -1.425 4.216 8.624 1.00 0.00 O ATOM 308 OD2 ASP A 20 -3.543 4.371 8.267 1.00 0.00 O ATOM 0 H ASP A 20 -2.217 -0.020 7.291 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.356 2.204 7.316 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.642 2.462 6.507 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.295 1.790 7.987 1.00 0.00 H new ATOM 313 N LYS A 21 0.213 0.932 9.705 1.00 0.00 N ATOM 314 CA LYS A 21 0.635 0.841 11.103 1.00 0.00 C ATOM 315 C LYS A 21 0.529 2.190 11.820 1.00 0.00 C ATOM 316 O LYS A 21 0.117 2.247 12.978 1.00 0.00 O ATOM 317 CB LYS A 21 2.087 0.357 11.182 1.00 0.00 C ATOM 318 CG LYS A 21 2.197 -1.108 10.742 1.00 0.00 C ATOM 319 CD LYS A 21 1.685 -2.041 11.856 1.00 0.00 C ATOM 320 CE LYS A 21 2.255 -3.444 11.654 1.00 0.00 C ATOM 321 NZ LYS A 21 2.131 -3.831 10.223 1.00 0.00 N ATOM 0 H LYS A 21 0.752 0.352 9.062 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.031 0.132 11.595 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.718 0.980 10.548 1.00 0.00 H new ATOM 0 HB3 LYS A 21 2.456 0.464 12.202 1.00 0.00 H new ATOM 0 HG2 LYS A 21 1.619 -1.266 9.832 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.234 -1.347 10.506 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.980 -1.655 12.832 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.596 -2.075 11.843 1.00 0.00 H new ATOM 0 HE2 LYS A 21 3.301 -3.470 11.959 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.722 -4.158 12.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 2.073 -4.867 10.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 1.271 -3.406 9.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 2.962 -3.492 9.698 1.00 0.00 H new ATOM 335 N ASP A 22 0.900 3.270 11.141 1.00 0.00 N ATOM 336 CA ASP A 22 0.841 4.603 11.740 1.00 0.00 C ATOM 337 C ASP A 22 -0.603 5.068 11.940 1.00 0.00 C ATOM 338 O ASP A 22 -0.882 5.890 12.812 1.00 0.00 O ATOM 339 CB ASP A 22 1.580 5.597 10.844 1.00 0.00 C ATOM 340 CG ASP A 22 1.148 5.409 9.395 1.00 0.00 C ATOM 341 OD1 ASP A 22 0.945 4.273 9.000 1.00 0.00 O ATOM 342 OD2 ASP A 22 1.023 6.404 8.698 1.00 0.00 O ATOM 0 H ASP A 22 1.243 3.252 10.181 1.00 0.00 H new ATOM 0 HA ASP A 22 1.317 4.555 12.720 1.00 0.00 H new ATOM 0 HB2 ASP A 22 1.369 6.617 11.166 1.00 0.00 H new ATOM 0 HB3 ASP A 22 2.656 5.450 10.934 1.00 0.00 H new ATOM 347 N GLY A 23 -1.515 4.534 11.137 1.00 0.00 N ATOM 348 CA GLY A 23 -2.925 4.898 11.250 1.00 0.00 C ATOM 349 C GLY A 23 -3.226 6.229 10.565 1.00 0.00 C ATOM 350 O GLY A 23 -4.272 6.829 10.803 1.00 0.00 O ATOM 0 H GLY A 23 -1.308 3.853 10.406 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.539 4.114 10.806 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.200 4.961 12.303 1.00 0.00 H new ATOM 354 N ASP A 24 -2.301 6.702 9.735 1.00 0.00 N ATOM 355 CA ASP A 24 -2.498 7.979 9.056 1.00 0.00 C ATOM 356 C ASP A 24 -3.681 7.903 8.101 1.00 0.00 C ATOM 357 O ASP A 24 -4.031 8.889 7.453 1.00 0.00 O ATOM 358 CB ASP A 24 -1.236 8.369 8.286 1.00 0.00 C ATOM 359 CG ASP A 24 -1.002 7.394 7.141 1.00 0.00 C ATOM 360 OD1 ASP A 24 -1.777 6.459 7.018 1.00 0.00 O ATOM 361 OD2 ASP A 24 -0.058 7.601 6.397 1.00 0.00 O ATOM 0 H ASP A 24 -1.423 6.231 9.519 1.00 0.00 H new ATOM 0 HA ASP A 24 -2.706 8.738 9.810 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.336 9.382 7.897 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -0.376 8.368 8.956 1.00 0.00 H new ATOM 366 N GLY A 25 -4.296 6.729 8.019 1.00 0.00 N ATOM 367 CA GLY A 25 -5.444 6.539 7.142 1.00 0.00 C ATOM 368 C GLY A 25 -5.010 6.437 5.686 1.00 0.00 C ATOM 369 O GLY A 25 -5.813 6.103 4.815 1.00 0.00 O ATOM 0 H GLY A 25 -4.021 5.900 8.545 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -5.979 5.634 7.429 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.138 7.371 7.261 1.00 0.00 H new ATOM 373 N CYS A 26 -3.740 6.741 5.423 1.00 0.00 N ATOM 374 CA CYS A 26 -3.207 6.690 4.053 1.00 0.00 C ATOM 375 C CYS A 26 -1.902 5.905 4.008 1.00 0.00 C ATOM 376 O CYS A 26 -0.998 6.153 4.797 1.00 0.00 O ATOM 377 CB CYS A 26 -2.961 8.113 3.543 1.00 0.00 C ATOM 378 SG CYS A 26 -4.422 9.131 3.868 1.00 0.00 S ATOM 0 H CYS A 26 -3.062 7.024 6.131 1.00 0.00 H new ATOM 0 HA CYS A 26 -3.938 6.189 3.418 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -2.089 8.542 4.036 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -2.747 8.096 2.474 1.00 0.00 H new ATOM 0 HG CYS A 26 -4.213 10.340 3.437 1.00 0.00 H new ATOM 384 N ILE A 27 -1.796 4.975 3.057 1.00 0.00 N ATOM 385 CA ILE A 27 -0.572 4.178 2.903 1.00 0.00 C ATOM 386 C ILE A 27 0.299 4.794 1.811 1.00 0.00 C ATOM 387 O ILE A 27 -0.072 4.778 0.638 1.00 0.00 O ATOM 388 CB ILE A 27 -0.919 2.735 2.498 1.00 0.00 C ATOM 389 CG1 ILE A 27 -1.654 2.010 3.629 1.00 0.00 C ATOM 390 CG2 ILE A 27 0.366 1.967 2.171 1.00 0.00 C ATOM 391 CD1 ILE A 27 -2.262 0.716 3.085 1.00 0.00 C ATOM 0 H ILE A 27 -2.533 4.755 2.387 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.040 4.169 3.854 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.567 2.776 1.623 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.964 1.788 4.443 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -2.436 2.649 4.039 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.116 0.945 1.885 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.884 2.458 1.347 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.013 1.950 3.048 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -2.787 0.196 3.886 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -2.964 0.952 2.285 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.469 0.077 2.696 1.00 0.00 H new ATOM 403 N THR A 28 1.461 5.319 2.186 1.00 0.00 N ATOM 404 CA THR A 28 2.360 5.910 1.197 1.00 0.00 C ATOM 405 C THR A 28 3.202 4.817 0.548 1.00 0.00 C ATOM 406 O THR A 28 3.255 3.693 1.046 1.00 0.00 O ATOM 407 CB THR A 28 3.273 6.949 1.856 1.00 0.00 C ATOM 408 OG1 THR A 28 4.431 7.132 1.053 1.00 0.00 O ATOM 409 CG2 THR A 28 3.686 6.464 3.243 1.00 0.00 C ATOM 0 H THR A 28 1.799 5.349 3.148 1.00 0.00 H new ATOM 0 HA THR A 28 1.762 6.407 0.433 1.00 0.00 H new ATOM 0 HB THR A 28 2.739 7.895 1.950 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.017 7.797 1.471 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.335 7.205 3.709 1.00 0.00 H new ATOM 0 HG22 THR A 28 2.798 6.322 3.858 1.00 0.00 H new ATOM 0 HG23 THR A 28 4.221 5.518 3.154 1.00 0.00 H new ATOM 417 N VAL A 29 3.846 5.136 -0.569 1.00 0.00 N ATOM 418 CA VAL A 29 4.664 4.141 -1.258 1.00 0.00 C ATOM 419 C VAL A 29 5.763 3.623 -0.338 1.00 0.00 C ATOM 420 O VAL A 29 6.102 2.441 -0.371 1.00 0.00 O ATOM 421 CB VAL A 29 5.284 4.736 -2.525 1.00 0.00 C ATOM 422 CG1 VAL A 29 6.151 5.941 -2.155 1.00 0.00 C ATOM 423 CG2 VAL A 29 6.151 3.676 -3.214 1.00 0.00 C ATOM 0 H VAL A 29 3.821 6.055 -1.011 1.00 0.00 H new ATOM 0 HA VAL A 29 4.019 3.309 -1.540 1.00 0.00 H new ATOM 0 HB VAL A 29 4.491 5.055 -3.201 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.592 6.363 -3.058 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.536 6.695 -1.665 1.00 0.00 H new ATOM 0 HG13 VAL A 29 6.945 5.624 -1.478 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.593 4.098 -4.116 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.943 3.357 -2.537 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.534 2.818 -3.480 1.00 0.00 H new ATOM 433 N GLU A 30 6.315 4.505 0.483 1.00 0.00 N ATOM 434 CA GLU A 30 7.369 4.103 1.405 1.00 0.00 C ATOM 435 C GLU A 30 6.852 3.054 2.389 1.00 0.00 C ATOM 436 O GLU A 30 7.531 2.066 2.688 1.00 0.00 O ATOM 437 CB GLU A 30 7.882 5.332 2.181 1.00 0.00 C ATOM 438 CG GLU A 30 9.405 5.272 2.296 1.00 0.00 C ATOM 439 CD GLU A 30 9.819 4.013 3.055 1.00 0.00 C ATOM 440 OE1 GLU A 30 9.059 3.583 3.905 1.00 0.00 O ATOM 441 OE2 GLU A 30 10.888 3.499 2.770 1.00 0.00 O ATOM 0 H GLU A 30 6.056 5.490 0.531 1.00 0.00 H new ATOM 0 HA GLU A 30 8.186 3.669 0.828 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.582 6.247 1.670 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.434 5.360 3.174 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.854 5.273 1.303 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.775 6.157 2.813 1.00 0.00 H new ATOM 448 N GLU A 31 5.633 3.264 2.868 1.00 0.00 N ATOM 449 CA GLU A 31 5.025 2.331 3.800 1.00 0.00 C ATOM 450 C GLU A 31 4.632 1.054 3.077 1.00 0.00 C ATOM 451 O GLU A 31 4.792 -0.046 3.605 1.00 0.00 O ATOM 452 CB GLU A 31 3.800 2.967 4.452 1.00 0.00 C ATOM 453 CG GLU A 31 3.228 2.025 5.514 1.00 0.00 C ATOM 454 CD GLU A 31 1.971 2.635 6.108 1.00 0.00 C ATOM 455 OE1 GLU A 31 0.962 2.627 5.427 1.00 0.00 O ATOM 456 OE2 GLU A 31 2.034 3.100 7.233 1.00 0.00 O ATOM 0 H GLU A 31 5.051 4.067 2.627 1.00 0.00 H new ATOM 0 HA GLU A 31 5.748 2.085 4.577 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.072 3.919 4.907 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.044 3.179 3.696 1.00 0.00 H new ATOM 0 HG2 GLU A 31 3.000 1.056 5.071 1.00 0.00 H new ATOM 0 HG3 GLU A 31 3.966 1.852 6.297 1.00 0.00 H new ATOM 463 N LEU A 32 4.123 1.195 1.863 1.00 0.00 N ATOM 464 CA LEU A 32 3.740 0.020 1.111 1.00 0.00 C ATOM 465 C LEU A 32 4.983 -0.828 0.892 1.00 0.00 C ATOM 466 O LEU A 32 4.962 -2.042 1.092 1.00 0.00 O ATOM 467 CB LEU A 32 3.104 0.433 -0.236 1.00 0.00 C ATOM 468 CG LEU A 32 2.751 -0.804 -1.098 1.00 0.00 C ATOM 469 CD1 LEU A 32 4.021 -1.422 -1.731 1.00 0.00 C ATOM 470 CD2 LEU A 32 2.025 -1.863 -0.244 1.00 0.00 C ATOM 0 H LEU A 32 3.970 2.086 1.391 1.00 0.00 H new ATOM 0 HA LEU A 32 2.997 -0.558 1.660 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.203 1.018 -0.050 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.794 1.075 -0.784 1.00 0.00 H new ATOM 0 HG LEU A 32 2.090 -0.476 -1.900 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.744 -2.289 -2.331 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.508 -0.682 -2.366 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.707 -1.731 -0.942 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.783 -2.727 -0.864 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.672 -2.174 0.576 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.106 -1.437 0.160 1.00 0.00 H new ATOM 482 N ALA A 33 6.069 -0.179 0.491 1.00 0.00 N ATOM 483 CA ALA A 33 7.319 -0.891 0.256 1.00 0.00 C ATOM 484 C ALA A 33 7.721 -1.654 1.509 1.00 0.00 C ATOM 485 O ALA A 33 8.202 -2.783 1.431 1.00 0.00 O ATOM 486 CB ALA A 33 8.422 0.094 -0.131 1.00 0.00 C ATOM 0 H ALA A 33 6.111 0.826 0.323 1.00 0.00 H new ATOM 0 HA ALA A 33 7.176 -1.597 -0.562 1.00 0.00 H new ATOM 0 HB1 ALA A 33 9.351 -0.449 -0.304 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.136 0.622 -1.041 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.567 0.813 0.675 1.00 0.00 H new ATOM 492 N THR A 34 7.489 -1.048 2.670 1.00 0.00 N ATOM 493 CA THR A 34 7.809 -1.711 3.928 1.00 0.00 C ATOM 494 C THR A 34 6.976 -2.992 4.068 1.00 0.00 C ATOM 495 O THR A 34 7.496 -4.035 4.474 1.00 0.00 O ATOM 496 CB THR A 34 7.573 -0.757 5.116 1.00 0.00 C ATOM 497 OG1 THR A 34 8.638 0.183 5.174 1.00 0.00 O ATOM 498 CG2 THR A 34 7.510 -1.537 6.436 1.00 0.00 C ATOM 0 H THR A 34 7.088 -0.115 2.765 1.00 0.00 H new ATOM 0 HA THR A 34 8.864 -1.986 3.930 1.00 0.00 H new ATOM 0 HB THR A 34 6.623 -0.243 4.972 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.533 0.841 4.455 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.343 -0.844 7.261 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.692 -2.256 6.395 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.450 -2.066 6.591 1.00 0.00 H new ATOM 506 N VAL A 35 5.687 -2.922 3.719 1.00 0.00 N ATOM 507 CA VAL A 35 4.836 -4.106 3.808 1.00 0.00 C ATOM 508 C VAL A 35 5.290 -5.169 2.807 1.00 0.00 C ATOM 509 O VAL A 35 5.444 -6.345 3.153 1.00 0.00 O ATOM 510 CB VAL A 35 3.358 -3.739 3.574 1.00 0.00 C ATOM 511 CG1 VAL A 35 2.535 -5.026 3.401 1.00 0.00 C ATOM 512 CG2 VAL A 35 2.837 -2.977 4.793 1.00 0.00 C ATOM 0 H VAL A 35 5.222 -2.079 3.381 1.00 0.00 H new ATOM 0 HA VAL A 35 4.929 -4.516 4.814 1.00 0.00 H new ATOM 0 HB VAL A 35 3.269 -3.122 2.680 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.489 -4.769 3.235 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.911 -5.586 2.545 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.621 -5.636 4.300 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.791 -2.713 4.637 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.924 -3.605 5.679 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.424 -2.069 4.933 1.00 0.00 H new ATOM 522 N ILE A 36 5.523 -4.750 1.571 1.00 0.00 N ATOM 523 CA ILE A 36 5.978 -5.675 0.551 1.00 0.00 C ATOM 524 C ILE A 36 7.345 -6.226 0.920 1.00 0.00 C ATOM 525 O ILE A 36 7.628 -7.404 0.700 1.00 0.00 O ATOM 526 CB ILE A 36 6.007 -4.998 -0.837 1.00 0.00 C ATOM 527 CG1 ILE A 36 4.582 -4.986 -1.437 1.00 0.00 C ATOM 528 CG2 ILE A 36 6.958 -5.752 -1.788 1.00 0.00 C ATOM 529 CD1 ILE A 36 4.265 -6.342 -2.095 1.00 0.00 C ATOM 0 H ILE A 36 5.405 -3.787 1.256 1.00 0.00 H new ATOM 0 HA ILE A 36 5.274 -6.505 0.496 1.00 0.00 H new ATOM 0 HB ILE A 36 6.367 -3.976 -0.719 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.853 -4.775 -0.655 1.00 0.00 H new ATOM 0 HG13 ILE A 36 4.498 -4.188 -2.175 1.00 0.00 H new ATOM 0 HG21 ILE A 36 6.965 -5.260 -2.761 1.00 0.00 H new ATOM 0 HG22 ILE A 36 7.966 -5.749 -1.373 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.616 -6.781 -1.904 1.00 0.00 H new ATOM 0 HD11 ILE A 36 3.258 -6.317 -2.513 1.00 0.00 H new ATOM 0 HD12 ILE A 36 4.983 -6.537 -2.891 1.00 0.00 H new ATOM 0 HD13 ILE A 36 4.328 -7.133 -1.348 1.00 0.00 H new ATOM 541 N ARG A 37 8.188 -5.370 1.473 1.00 0.00 N ATOM 542 CA ARG A 37 9.525 -5.778 1.868 1.00 0.00 C ATOM 543 C ARG A 37 9.462 -6.943 2.847 1.00 0.00 C ATOM 544 O ARG A 37 10.258 -7.877 2.770 1.00 0.00 O ATOM 545 CB ARG A 37 10.252 -4.601 2.514 1.00 0.00 C ATOM 546 CG ARG A 37 11.663 -5.030 2.900 1.00 0.00 C ATOM 547 CD ARG A 37 12.446 -3.820 3.406 1.00 0.00 C ATOM 548 NE ARG A 37 13.832 -4.195 3.669 1.00 0.00 N ATOM 549 CZ ARG A 37 14.186 -4.736 4.829 1.00 0.00 C ATOM 550 NH1 ARG A 37 13.285 -4.936 5.753 1.00 0.00 N ATOM 551 NH2 ARG A 37 15.429 -5.066 5.047 1.00 0.00 N ATOM 0 H ARG A 37 7.971 -4.391 1.658 1.00 0.00 H new ATOM 0 HA ARG A 37 10.069 -6.099 0.979 1.00 0.00 H new ATOM 0 HB2 ARG A 37 10.292 -3.760 1.822 1.00 0.00 H new ATOM 0 HB3 ARG A 37 9.708 -4.263 3.396 1.00 0.00 H new ATOM 0 HG2 ARG A 37 11.622 -5.798 3.672 1.00 0.00 H new ATOM 0 HG3 ARG A 37 12.168 -5.469 2.040 1.00 0.00 H new ATOM 0 HD2 ARG A 37 12.411 -3.020 2.667 1.00 0.00 H new ATOM 0 HD3 ARG A 37 11.986 -3.434 4.316 1.00 0.00 H new ATOM 0 HE ARG A 37 14.539 -4.039 2.951 1.00 0.00 H new ATOM 0 HH11 ARG A 37 12.313 -4.677 5.582 1.00 0.00 H new ATOM 0 HH12 ARG A 37 13.553 -5.351 6.645 1.00 0.00 H new ATOM 0 HH21 ARG A 37 16.133 -4.909 4.325 1.00 0.00 H new ATOM 0 HH22 ARG A 37 15.697 -5.481 5.939 1.00 0.00 H new ATOM 565 N SER A 38 8.503 -6.883 3.756 1.00 0.00 N ATOM 566 CA SER A 38 8.332 -7.946 4.742 1.00 0.00 C ATOM 567 C SER A 38 7.833 -9.228 4.084 1.00 0.00 C ATOM 568 O SER A 38 8.223 -10.328 4.473 1.00 0.00 O ATOM 569 CB SER A 38 7.338 -7.518 5.813 1.00 0.00 C ATOM 570 OG SER A 38 7.248 -8.541 6.799 1.00 0.00 O ATOM 0 H SER A 38 7.834 -6.117 3.835 1.00 0.00 H new ATOM 0 HA SER A 38 9.304 -8.136 5.197 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.658 -6.582 6.270 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.360 -7.337 5.368 1.00 0.00 H new ATOM 0 HG SER A 38 6.611 -8.271 7.493 1.00 0.00 H new ATOM 576 N LEU A 39 6.943 -9.088 3.105 1.00 0.00 N ATOM 577 CA LEU A 39 6.380 -10.253 2.434 1.00 0.00 C ATOM 578 C LEU A 39 7.424 -11.005 1.592 1.00 0.00 C ATOM 579 O LEU A 39 7.069 -11.691 0.634 1.00 0.00 O ATOM 580 CB LEU A 39 5.221 -9.813 1.535 1.00 0.00 C ATOM 581 CG LEU A 39 4.041 -9.318 2.385 1.00 0.00 C ATOM 582 CD1 LEU A 39 3.016 -8.607 1.483 1.00 0.00 C ATOM 583 CD2 LEU A 39 3.354 -10.504 3.096 1.00 0.00 C ATOM 0 H LEU A 39 6.600 -8.190 2.763 1.00 0.00 H new ATOM 0 HA LEU A 39 6.027 -10.937 3.206 1.00 0.00 H new ATOM 0 HB2 LEU A 39 5.553 -9.020 0.865 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.902 -10.646 0.909 1.00 0.00 H new ATOM 0 HG LEU A 39 4.420 -8.624 3.135 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.180 -8.257 2.088 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.490 -7.757 0.993 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.651 -9.303 0.728 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.520 -10.136 3.694 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.984 -11.209 2.352 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.073 -11.005 3.745 1.00 0.00 H new ATOM 595 N ASP A 40 8.696 -10.884 1.961 1.00 0.00 N ATOM 596 CA ASP A 40 9.781 -11.572 1.239 1.00 0.00 C ATOM 597 C ASP A 40 9.897 -11.098 -0.206 1.00 0.00 C ATOM 598 O ASP A 40 10.477 -11.789 -1.045 1.00 0.00 O ATOM 599 CB ASP A 40 9.551 -13.094 1.243 1.00 0.00 C ATOM 600 CG ASP A 40 10.786 -13.828 0.709 1.00 0.00 C ATOM 601 OD1 ASP A 40 11.826 -13.742 1.342 1.00 0.00 O ATOM 602 OD2 ASP A 40 10.670 -14.468 -0.325 1.00 0.00 O ATOM 0 H ASP A 40 9.008 -10.320 2.752 1.00 0.00 H new ATOM 0 HA ASP A 40 10.708 -11.330 1.760 1.00 0.00 H new ATOM 0 HB2 ASP A 40 9.331 -13.431 2.256 1.00 0.00 H new ATOM 0 HB3 ASP A 40 8.683 -13.338 0.630 1.00 0.00 H new ATOM 607 N GLN A 41 9.361 -9.915 -0.501 1.00 0.00 N ATOM 608 CA GLN A 41 9.430 -9.371 -1.862 1.00 0.00 C ATOM 609 C GLN A 41 9.798 -7.898 -1.818 1.00 0.00 C ATOM 610 O GLN A 41 9.365 -7.179 -0.925 1.00 0.00 O ATOM 611 CB GLN A 41 8.078 -9.542 -2.562 1.00 0.00 C ATOM 612 CG GLN A 41 7.751 -11.028 -2.701 1.00 0.00 C ATOM 613 CD GLN A 41 8.772 -11.714 -3.603 1.00 0.00 C ATOM 614 OE1 GLN A 41 9.156 -11.165 -4.637 1.00 0.00 O ATOM 615 NE2 GLN A 41 9.238 -12.890 -3.275 1.00 0.00 N ATOM 0 H GLN A 41 8.879 -9.319 0.172 1.00 0.00 H new ATOM 0 HA GLN A 41 10.195 -9.913 -2.418 1.00 0.00 H new ATOM 0 HB2 GLN A 41 7.297 -9.040 -1.991 1.00 0.00 H new ATOM 0 HB3 GLN A 41 8.105 -9.073 -3.545 1.00 0.00 H new ATOM 0 HG2 GLN A 41 7.749 -11.500 -1.719 1.00 0.00 H new ATOM 0 HG3 GLN A 41 6.750 -11.150 -3.115 1.00 0.00 H new ATOM 0 HE21 GLN A 41 8.920 -13.344 -2.419 1.00 0.00 H new ATOM 0 HE22 GLN A 41 9.920 -13.354 -3.875 1.00 0.00 H new ATOM 624 N ASN A 42 10.608 -7.452 -2.775 1.00 0.00 N ATOM 625 CA ASN A 42 11.029 -6.053 -2.812 1.00 0.00 C ATOM 626 C ASN A 42 11.244 -5.583 -4.250 1.00 0.00 C ATOM 627 O ASN A 42 12.375 -5.519 -4.727 1.00 0.00 O ATOM 628 CB ASN A 42 12.334 -5.882 -2.024 1.00 0.00 C ATOM 629 CG ASN A 42 12.572 -4.403 -1.731 1.00 0.00 C ATOM 630 OD1 ASN A 42 12.555 -3.543 -2.713 1.00 0.00 O flip ATOM 631 ND2 ASN A 42 12.771 -4.021 -0.578 1.00 0.00 N flip ATOM 0 H ASN A 42 10.983 -8.030 -3.527 1.00 0.00 H new ATOM 0 HA ASN A 42 10.241 -5.450 -2.361 1.00 0.00 H new ATOM 0 HB2 ASN A 42 12.282 -6.443 -1.091 1.00 0.00 H new ATOM 0 HB3 ASN A 42 13.170 -6.288 -2.594 1.00 0.00 H new ATOM 0 HD21 ASN A 42 12.784 -4.695 0.188 1.00 0.00 H new ATOM 0 HD22 ASN A 42 12.923 -3.030 -0.388 1.00 0.00 H new ATOM 638 N PRO A 43 10.184 -5.240 -4.938 1.00 0.00 N ATOM 639 CA PRO A 43 10.257 -4.742 -6.347 1.00 0.00 C ATOM 640 C PRO A 43 11.042 -3.433 -6.426 1.00 0.00 C ATOM 641 O PRO A 43 11.363 -2.837 -5.398 1.00 0.00 O ATOM 642 CB PRO A 43 8.783 -4.539 -6.754 1.00 0.00 C ATOM 643 CG PRO A 43 7.984 -5.317 -5.754 1.00 0.00 C ATOM 644 CD PRO A 43 8.795 -5.296 -4.459 1.00 0.00 C ATOM 0 HA PRO A 43 10.776 -5.435 -7.009 1.00 0.00 H new ATOM 0 HB2 PRO A 43 8.513 -3.483 -6.737 1.00 0.00 H new ATOM 0 HB3 PRO A 43 8.602 -4.898 -7.767 1.00 0.00 H new ATOM 0 HG2 PRO A 43 7.001 -4.869 -5.606 1.00 0.00 H new ATOM 0 HG3 PRO A 43 7.820 -6.339 -6.095 1.00 0.00 H new ATOM 0 HD2 PRO A 43 8.546 -4.433 -3.841 1.00 0.00 H new ATOM 0 HD3 PRO A 43 8.612 -6.184 -3.854 1.00 0.00 H new ATOM 652 N THR A 44 11.346 -2.980 -7.644 1.00 0.00 N ATOM 653 CA THR A 44 12.075 -1.741 -7.817 1.00 0.00 C ATOM 654 C THR A 44 11.100 -0.566 -7.831 1.00 0.00 C ATOM 655 O THR A 44 9.908 -0.736 -8.084 1.00 0.00 O ATOM 656 CB THR A 44 12.847 -1.789 -9.136 1.00 0.00 C ATOM 657 OG1 THR A 44 13.442 -3.069 -9.290 1.00 0.00 O ATOM 658 CG2 THR A 44 13.938 -0.719 -9.145 1.00 0.00 C ATOM 0 H THR A 44 11.097 -3.454 -8.512 1.00 0.00 H new ATOM 0 HA THR A 44 12.774 -1.612 -6.991 1.00 0.00 H new ATOM 0 HB THR A 44 12.157 -1.602 -9.959 1.00 0.00 H new ATOM 0 HG1 THR A 44 13.935 -3.101 -10.136 1.00 0.00 H new ATOM 0 HG21 THR A 44 14.482 -0.762 -10.089 1.00 0.00 H new ATOM 0 HG22 THR A 44 13.483 0.265 -9.033 1.00 0.00 H new ATOM 0 HG23 THR A 44 14.628 -0.896 -8.320 1.00 0.00 H new ATOM 666 N GLU A 45 11.616 0.625 -7.557 1.00 0.00 N ATOM 667 CA GLU A 45 10.772 1.819 -7.539 1.00 0.00 C ATOM 668 C GLU A 45 9.861 1.829 -8.765 1.00 0.00 C ATOM 669 O GLU A 45 8.695 2.215 -8.681 1.00 0.00 O ATOM 670 CB GLU A 45 11.630 3.087 -7.531 1.00 0.00 C ATOM 671 CG GLU A 45 12.377 3.188 -6.201 1.00 0.00 C ATOM 672 CD GLU A 45 13.305 4.398 -6.215 1.00 0.00 C ATOM 673 OE1 GLU A 45 13.287 5.122 -7.197 1.00 0.00 O ATOM 674 OE2 GLU A 45 14.019 4.585 -5.244 1.00 0.00 O ATOM 0 H GLU A 45 12.600 0.792 -7.347 1.00 0.00 H new ATOM 0 HA GLU A 45 10.166 1.799 -6.633 1.00 0.00 H new ATOM 0 HB2 GLU A 45 12.340 3.064 -8.358 1.00 0.00 H new ATOM 0 HB3 GLU A 45 11.001 3.966 -7.675 1.00 0.00 H new ATOM 0 HG2 GLU A 45 11.665 3.275 -5.380 1.00 0.00 H new ATOM 0 HG3 GLU A 45 12.953 2.279 -6.028 1.00 0.00 H new ATOM 681 N GLU A 46 10.404 1.413 -9.904 1.00 0.00 N ATOM 682 CA GLU A 46 9.637 1.387 -11.143 1.00 0.00 C ATOM 683 C GLU A 46 8.377 0.540 -10.983 1.00 0.00 C ATOM 684 O GLU A 46 7.268 1.013 -11.232 1.00 0.00 O ATOM 685 CB GLU A 46 10.508 0.809 -12.285 1.00 0.00 C ATOM 686 CG GLU A 46 11.990 1.023 -11.975 1.00 0.00 C ATOM 687 CD GLU A 46 12.831 0.731 -13.213 1.00 0.00 C ATOM 688 OE1 GLU A 46 12.587 -0.283 -13.843 1.00 0.00 O ATOM 689 OE2 GLU A 46 13.707 1.527 -13.513 1.00 0.00 O ATOM 0 H GLU A 46 11.368 1.091 -9.995 1.00 0.00 H new ATOM 0 HA GLU A 46 9.342 2.408 -11.387 1.00 0.00 H new ATOM 0 HB2 GLU A 46 10.304 -0.255 -12.406 1.00 0.00 H new ATOM 0 HB3 GLU A 46 10.252 1.292 -13.228 1.00 0.00 H new ATOM 0 HG2 GLU A 46 12.156 2.049 -11.646 1.00 0.00 H new ATOM 0 HG3 GLU A 46 12.296 0.372 -11.156 1.00 0.00 H new ATOM 696 N GLU A 47 8.548 -0.716 -10.573 1.00 0.00 N ATOM 697 CA GLU A 47 7.408 -1.602 -10.404 1.00 0.00 C ATOM 698 C GLU A 47 6.482 -1.054 -9.322 1.00 0.00 C ATOM 699 O GLU A 47 5.260 -1.079 -9.467 1.00 0.00 O ATOM 700 CB GLU A 47 7.888 -3.007 -10.036 1.00 0.00 C ATOM 701 CG GLU A 47 6.725 -3.993 -10.140 1.00 0.00 C ATOM 702 CD GLU A 47 7.226 -5.413 -9.902 1.00 0.00 C ATOM 703 OE1 GLU A 47 8.425 -5.618 -9.993 1.00 0.00 O ATOM 704 OE2 GLU A 47 6.404 -6.275 -9.637 1.00 0.00 O ATOM 0 H GLU A 47 9.453 -1.134 -10.356 1.00 0.00 H new ATOM 0 HA GLU A 47 6.855 -1.658 -11.342 1.00 0.00 H new ATOM 0 HB2 GLU A 47 8.696 -3.311 -10.701 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.291 -3.010 -9.023 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.957 -3.742 -9.408 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.263 -3.921 -11.125 1.00 0.00 H new ATOM 711 N LEU A 48 7.067 -0.541 -8.243 1.00 0.00 N ATOM 712 CA LEU A 48 6.274 0.022 -7.164 1.00 0.00 C ATOM 713 C LEU A 48 5.452 1.198 -7.678 1.00 0.00 C ATOM 714 O LEU A 48 4.272 1.331 -7.353 1.00 0.00 O ATOM 715 CB LEU A 48 7.210 0.478 -6.032 1.00 0.00 C ATOM 716 CG LEU A 48 7.550 -0.711 -5.112 1.00 0.00 C ATOM 717 CD1 LEU A 48 8.887 -0.457 -4.408 1.00 0.00 C ATOM 718 CD2 LEU A 48 6.448 -0.878 -4.054 1.00 0.00 C ATOM 0 H LEU A 48 8.076 -0.505 -8.097 1.00 0.00 H new ATOM 0 HA LEU A 48 5.590 -0.735 -6.781 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.125 0.895 -6.453 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.735 1.270 -5.454 1.00 0.00 H new ATOM 0 HG LEU A 48 7.621 -1.617 -5.714 1.00 0.00 H new ATOM 0 HD11 LEU A 48 9.122 -1.300 -3.759 1.00 0.00 H new ATOM 0 HD12 LEU A 48 9.674 -0.341 -5.153 1.00 0.00 H new ATOM 0 HD13 LEU A 48 8.817 0.452 -3.811 1.00 0.00 H new ATOM 0 HD21 LEU A 48 6.691 -1.719 -3.405 1.00 0.00 H new ATOM 0 HD22 LEU A 48 6.376 0.031 -3.457 1.00 0.00 H new ATOM 0 HD23 LEU A 48 5.495 -1.065 -4.548 1.00 0.00 H new ATOM 730 N GLN A 49 6.076 2.035 -8.490 1.00 0.00 N ATOM 731 CA GLN A 49 5.378 3.181 -9.051 1.00 0.00 C ATOM 732 C GLN A 49 4.356 2.718 -10.089 1.00 0.00 C ATOM 733 O GLN A 49 3.243 3.239 -10.146 1.00 0.00 O ATOM 734 CB GLN A 49 6.380 4.147 -9.688 1.00 0.00 C ATOM 735 CG GLN A 49 5.666 5.453 -10.051 1.00 0.00 C ATOM 736 CD GLN A 49 5.326 6.230 -8.783 1.00 0.00 C ATOM 737 OE1 GLN A 49 4.166 6.282 -8.377 1.00 0.00 O ATOM 738 NE2 GLN A 49 6.276 6.845 -8.133 1.00 0.00 N ATOM 0 H GLN A 49 7.052 1.946 -8.773 1.00 0.00 H new ATOM 0 HA GLN A 49 4.852 3.700 -8.250 1.00 0.00 H new ATOM 0 HB2 GLN A 49 7.199 4.347 -8.997 1.00 0.00 H new ATOM 0 HB3 GLN A 49 6.818 3.699 -10.580 1.00 0.00 H new ATOM 0 HG2 GLN A 49 6.302 6.057 -10.698 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.756 5.236 -10.610 1.00 0.00 H new ATOM 0 HE21 GLN A 49 7.237 6.800 -8.472 1.00 0.00 H new ATOM 0 HE22 GLN A 49 6.057 7.370 -7.286 1.00 0.00 H new ATOM 747 N ASP A 50 4.740 1.748 -10.916 1.00 0.00 N ATOM 748 CA ASP A 50 3.842 1.242 -11.949 1.00 0.00 C ATOM 749 C ASP A 50 2.611 0.590 -11.323 1.00 0.00 C ATOM 750 O ASP A 50 1.493 0.754 -11.814 1.00 0.00 O ATOM 751 CB ASP A 50 4.572 0.223 -12.828 1.00 0.00 C ATOM 752 CG ASP A 50 3.637 -0.289 -13.918 1.00 0.00 C ATOM 753 OD1 ASP A 50 2.581 0.299 -14.090 1.00 0.00 O ATOM 754 OD2 ASP A 50 3.990 -1.261 -14.567 1.00 0.00 O ATOM 0 H ASP A 50 5.657 1.301 -10.891 1.00 0.00 H new ATOM 0 HA ASP A 50 3.519 2.083 -12.562 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.452 0.683 -13.278 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.924 -0.609 -12.219 1.00 0.00 H new ATOM 759 N MET A 51 2.819 -0.126 -10.223 1.00 0.00 N ATOM 760 CA MET A 51 1.704 -0.764 -9.534 1.00 0.00 C ATOM 761 C MET A 51 0.814 0.294 -8.892 1.00 0.00 C ATOM 762 O MET A 51 -0.410 0.230 -8.993 1.00 0.00 O ATOM 763 CB MET A 51 2.203 -1.748 -8.467 1.00 0.00 C ATOM 764 CG MET A 51 2.709 -3.033 -9.137 1.00 0.00 C ATOM 765 SD MET A 51 2.991 -4.305 -7.877 1.00 0.00 S ATOM 766 CE MET A 51 4.348 -3.497 -6.997 1.00 0.00 C ATOM 0 H MET A 51 3.733 -0.277 -9.796 1.00 0.00 H new ATOM 0 HA MET A 51 1.126 -1.324 -10.269 1.00 0.00 H new ATOM 0 HB2 MET A 51 3.004 -1.292 -7.885 1.00 0.00 H new ATOM 0 HB3 MET A 51 1.397 -1.983 -7.771 1.00 0.00 H new ATOM 0 HG2 MET A 51 1.981 -3.385 -9.867 1.00 0.00 H new ATOM 0 HG3 MET A 51 3.633 -2.833 -9.679 1.00 0.00 H new ATOM 0 HE1 MET A 51 5.096 -4.240 -6.720 1.00 0.00 H new ATOM 0 HE2 MET A 51 4.804 -2.746 -7.642 1.00 0.00 H new ATOM 0 HE3 MET A 51 3.963 -3.016 -6.097 1.00 0.00 H new ATOM 776 N ILE A 52 1.437 1.278 -8.250 1.00 0.00 N ATOM 777 CA ILE A 52 0.677 2.352 -7.627 1.00 0.00 C ATOM 778 C ILE A 52 0.005 3.202 -8.693 1.00 0.00 C ATOM 779 O ILE A 52 -1.178 3.512 -8.594 1.00 0.00 O ATOM 780 CB ILE A 52 1.597 3.221 -6.756 1.00 0.00 C ATOM 781 CG1 ILE A 52 2.023 2.421 -5.526 1.00 0.00 C ATOM 782 CG2 ILE A 52 0.851 4.483 -6.303 1.00 0.00 C ATOM 783 CD1 ILE A 52 3.152 3.159 -4.806 1.00 0.00 C ATOM 0 H ILE A 52 2.449 1.353 -8.149 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.092 1.914 -6.990 1.00 0.00 H new ATOM 0 HB ILE A 52 2.473 3.511 -7.336 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.175 2.287 -4.854 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.355 1.426 -5.823 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.510 5.094 -5.686 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.539 5.055 -7.177 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -0.027 4.198 -5.724 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.457 2.590 -3.928 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.002 3.270 -5.480 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.803 4.144 -4.496 1.00 0.00 H new ATOM 795 N SER A 53 0.756 3.555 -9.725 1.00 0.00 N ATOM 796 CA SER A 53 0.212 4.360 -10.805 1.00 0.00 C ATOM 797 C SER A 53 -0.967 3.641 -11.443 1.00 0.00 C ATOM 798 O SER A 53 -1.950 4.268 -11.838 1.00 0.00 O ATOM 799 CB SER A 53 1.288 4.634 -11.857 1.00 0.00 C ATOM 800 OG SER A 53 0.746 5.458 -12.878 1.00 0.00 O ATOM 0 H SER A 53 1.737 3.298 -9.836 1.00 0.00 H new ATOM 0 HA SER A 53 -0.128 5.312 -10.397 1.00 0.00 H new ATOM 0 HB2 SER A 53 2.147 5.123 -11.397 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.645 3.696 -12.282 1.00 0.00 H new ATOM 0 HG SER A 53 1.433 5.637 -13.553 1.00 0.00 H new ATOM 806 N GLU A 54 -0.858 2.324 -11.550 1.00 0.00 N ATOM 807 CA GLU A 54 -1.919 1.529 -12.152 1.00 0.00 C ATOM 808 C GLU A 54 -3.249 1.753 -11.433 1.00 0.00 C ATOM 809 O GLU A 54 -4.311 1.671 -12.050 1.00 0.00 O ATOM 810 CB GLU A 54 -1.550 0.039 -12.108 1.00 0.00 C ATOM 811 CG GLU A 54 -2.601 -0.779 -12.877 1.00 0.00 C ATOM 812 CD GLU A 54 -3.851 -0.975 -12.024 1.00 0.00 C ATOM 813 OE1 GLU A 54 -3.712 -1.074 -10.815 1.00 0.00 O ATOM 814 OE2 GLU A 54 -4.930 -1.021 -12.590 1.00 0.00 O ATOM 0 H GLU A 54 -0.052 1.787 -11.230 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.031 1.845 -13.189 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -0.564 -0.114 -12.546 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.496 -0.302 -11.074 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.862 -0.268 -13.804 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.186 -1.748 -13.153 1.00 0.00 H new ATOM 821 N VAL A 55 -3.196 2.024 -10.123 1.00 0.00 N ATOM 822 CA VAL A 55 -4.420 2.245 -9.338 1.00 0.00 C ATOM 823 C VAL A 55 -4.551 3.693 -8.889 1.00 0.00 C ATOM 824 O VAL A 55 -5.664 4.208 -8.776 1.00 0.00 O ATOM 825 CB VAL A 55 -4.418 1.342 -8.109 1.00 0.00 C ATOM 826 CG1 VAL A 55 -3.179 1.623 -7.259 1.00 0.00 C ATOM 827 CG2 VAL A 55 -5.677 1.597 -7.274 1.00 0.00 C ATOM 0 H VAL A 55 -2.330 2.095 -9.588 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.267 2.008 -9.981 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.404 0.302 -8.435 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.184 0.975 -6.383 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.282 1.430 -7.848 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.186 2.665 -6.939 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.670 0.949 -6.398 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.697 2.639 -6.955 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.561 1.385 -7.875 1.00 0.00 H new ATOM 837 N ASP A 56 -3.429 4.353 -8.624 1.00 0.00 N ATOM 838 CA ASP A 56 -3.493 5.737 -8.183 1.00 0.00 C ATOM 839 C ASP A 56 -4.092 6.572 -9.307 1.00 0.00 C ATOM 840 O ASP A 56 -3.382 7.236 -10.061 1.00 0.00 O ATOM 841 CB ASP A 56 -2.093 6.251 -7.800 1.00 0.00 C ATOM 842 CG ASP A 56 -2.188 7.327 -6.722 1.00 0.00 C ATOM 843 OD1 ASP A 56 -2.701 8.388 -7.013 1.00 0.00 O ATOM 844 OD2 ASP A 56 -1.756 7.064 -5.610 1.00 0.00 O ATOM 0 H ASP A 56 -2.490 3.964 -8.704 1.00 0.00 H new ATOM 0 HA ASP A 56 -4.120 5.815 -7.295 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -1.482 5.423 -7.441 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.595 6.656 -8.681 1.00 0.00 H new ATOM 849 N ALA A 57 -5.411 6.513 -9.414 1.00 0.00 N ATOM 850 CA ALA A 57 -6.111 7.253 -10.453 1.00 0.00 C ATOM 851 C ALA A 57 -5.833 8.743 -10.328 1.00 0.00 C ATOM 852 O ALA A 57 -5.950 9.486 -11.301 1.00 0.00 O ATOM 853 CB ALA A 57 -7.619 7.011 -10.361 1.00 0.00 C ATOM 0 H ALA A 57 -6.014 5.965 -8.800 1.00 0.00 H new ATOM 0 HA ALA A 57 -5.748 6.900 -11.418 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -8.126 7.572 -11.146 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -7.825 5.948 -10.484 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -7.982 7.340 -9.387 1.00 0.00 H new ATOM 859 N ASP A 58 -5.480 9.181 -9.122 1.00 0.00 N ATOM 860 CA ASP A 58 -5.204 10.594 -8.878 1.00 0.00 C ATOM 861 C ASP A 58 -3.712 10.909 -8.977 1.00 0.00 C ATOM 862 O ASP A 58 -3.331 12.054 -9.217 1.00 0.00 O ATOM 863 CB ASP A 58 -5.710 10.965 -7.485 1.00 0.00 C ATOM 864 CG ASP A 58 -5.220 9.942 -6.468 1.00 0.00 C ATOM 865 OD1 ASP A 58 -5.393 8.759 -6.718 1.00 0.00 O ATOM 866 OD2 ASP A 58 -4.682 10.354 -5.453 1.00 0.00 O ATOM 0 H ASP A 58 -5.379 8.582 -8.303 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.717 11.177 -9.643 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.357 11.960 -7.213 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.799 11.002 -7.482 1.00 0.00 H new ATOM 871 N GLY A 59 -2.870 9.900 -8.785 1.00 0.00 N ATOM 872 CA GLY A 59 -1.424 10.106 -8.851 1.00 0.00 C ATOM 873 C GLY A 59 -0.936 10.991 -7.702 1.00 0.00 C ATOM 874 O GLY A 59 -0.064 11.838 -7.893 1.00 0.00 O ATOM 0 H GLY A 59 -3.156 8.942 -8.585 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -0.915 9.143 -8.813 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.163 10.567 -9.804 1.00 0.00 H new ATOM 878 N ASN A 60 -1.507 10.805 -6.510 1.00 0.00 N ATOM 879 CA ASN A 60 -1.110 11.612 -5.354 1.00 0.00 C ATOM 880 C ASN A 60 0.166 11.079 -4.708 1.00 0.00 C ATOM 881 O ASN A 60 0.813 11.784 -3.935 1.00 0.00 O ATOM 882 CB ASN A 60 -2.223 11.627 -4.307 1.00 0.00 C ATOM 883 CG ASN A 60 -2.473 10.213 -3.802 1.00 0.00 C ATOM 884 OD1 ASN A 60 -1.780 9.280 -4.202 1.00 0.00 O ATOM 885 ND2 ASN A 60 -3.433 9.994 -2.947 1.00 0.00 N ATOM 0 H ASN A 60 -2.234 10.115 -6.321 1.00 0.00 H new ATOM 0 HA ASN A 60 -0.924 12.623 -5.716 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.945 12.276 -3.477 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.136 12.036 -4.739 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -3.609 9.048 -2.610 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -4.007 10.769 -2.616 1.00 0.00 H new ATOM 892 N GLY A 61 0.530 9.834 -5.015 1.00 0.00 N ATOM 893 CA GLY A 61 1.734 9.231 -4.437 1.00 0.00 C ATOM 894 C GLY A 61 1.394 8.427 -3.184 1.00 0.00 C ATOM 895 O GLY A 61 2.283 7.954 -2.474 1.00 0.00 O ATOM 0 H GLY A 61 0.016 9.228 -5.654 1.00 0.00 H new ATOM 0 HA2 GLY A 61 2.209 8.582 -5.172 1.00 0.00 H new ATOM 0 HA3 GLY A 61 2.453 10.012 -4.189 1.00 0.00 H new ATOM 899 N THR A 62 0.096 8.274 -2.926 1.00 0.00 N ATOM 900 CA THR A 62 -0.387 7.521 -1.767 1.00 0.00 C ATOM 901 C THR A 62 -1.541 6.612 -2.176 1.00 0.00 C ATOM 902 O THR A 62 -2.180 6.838 -3.201 1.00 0.00 O ATOM 903 CB THR A 62 -0.861 8.485 -0.675 1.00 0.00 C ATOM 904 OG1 THR A 62 -1.924 9.282 -1.180 1.00 0.00 O ATOM 905 CG2 THR A 62 0.295 9.387 -0.240 1.00 0.00 C ATOM 0 H THR A 62 -0.645 8.664 -3.508 1.00 0.00 H new ATOM 0 HA THR A 62 0.431 6.913 -1.381 1.00 0.00 H new ATOM 0 HB THR A 62 -1.209 7.913 0.185 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.230 9.899 -0.483 1.00 0.00 H new ATOM 0 HG21 THR A 62 -0.049 10.070 0.537 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.108 8.774 0.150 1.00 0.00 H new ATOM 0 HG23 THR A 62 0.651 9.960 -1.096 1.00 0.00 H new ATOM 913 N ILE A 63 -1.808 5.585 -1.368 1.00 0.00 N ATOM 914 CA ILE A 63 -2.899 4.648 -1.658 1.00 0.00 C ATOM 915 C ILE A 63 -3.993 4.801 -0.605 1.00 0.00 C ATOM 916 O ILE A 63 -3.719 4.735 0.597 1.00 0.00 O ATOM 917 CB ILE A 63 -2.379 3.207 -1.631 1.00 0.00 C ATOM 918 CG1 ILE A 63 -1.153 3.081 -2.539 1.00 0.00 C ATOM 919 CG2 ILE A 63 -3.468 2.259 -2.142 1.00 0.00 C ATOM 920 CD1 ILE A 63 -0.558 1.673 -2.412 1.00 0.00 C ATOM 0 H ILE A 63 -1.290 5.380 -0.514 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.299 4.868 -2.648 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.109 2.948 -0.607 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.434 3.276 -3.574 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.407 3.827 -2.265 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.097 1.234 -2.122 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -4.348 2.338 -1.504 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.735 2.529 -3.164 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.314 1.587 -3.060 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.261 1.495 -1.378 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.304 0.935 -2.708 1.00 0.00 H new ATOM 932 N GLU A 64 -5.231 5.010 -1.055 1.00 0.00 N ATOM 933 CA GLU A 64 -6.361 5.175 -0.135 1.00 0.00 C ATOM 934 C GLU A 64 -7.142 3.867 -0.029 1.00 0.00 C ATOM 935 O GLU A 64 -6.960 2.963 -0.843 1.00 0.00 O ATOM 936 CB GLU A 64 -7.273 6.307 -0.624 1.00 0.00 C ATOM 937 CG GLU A 64 -8.331 6.617 0.440 1.00 0.00 C ATOM 938 CD GLU A 64 -9.088 7.886 0.073 1.00 0.00 C ATOM 939 OE1 GLU A 64 -8.608 8.612 -0.779 1.00 0.00 O ATOM 940 OE2 GLU A 64 -10.139 8.110 0.651 1.00 0.00 O ATOM 0 H GLU A 64 -5.477 5.069 -2.043 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.983 5.435 0.854 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.682 7.199 -0.833 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.756 6.019 -1.558 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -9.026 5.782 0.526 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.855 6.737 1.413 1.00 0.00 H new ATOM 947 N PHE A 65 -8.002 3.764 0.982 1.00 0.00 N ATOM 948 CA PHE A 65 -8.780 2.546 1.176 1.00 0.00 C ATOM 949 C PHE A 65 -9.445 2.124 -0.133 1.00 0.00 C ATOM 950 O PHE A 65 -9.271 0.991 -0.580 1.00 0.00 O ATOM 951 CB PHE A 65 -9.850 2.774 2.254 1.00 0.00 C ATOM 952 CG PHE A 65 -10.829 1.616 2.267 1.00 0.00 C ATOM 953 CD1 PHE A 65 -11.934 1.629 1.404 1.00 0.00 C ATOM 954 CD2 PHE A 65 -10.627 0.530 3.127 1.00 0.00 C ATOM 955 CE1 PHE A 65 -12.836 0.560 1.406 1.00 0.00 C ATOM 956 CE2 PHE A 65 -11.532 -0.541 3.127 1.00 0.00 C ATOM 957 CZ PHE A 65 -12.636 -0.525 2.267 1.00 0.00 C ATOM 0 H PHE A 65 -8.175 4.498 1.669 1.00 0.00 H new ATOM 0 HA PHE A 65 -8.108 1.751 1.500 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -9.378 2.873 3.231 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -10.380 3.707 2.060 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -12.089 2.465 0.738 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -9.775 0.517 3.790 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -13.688 0.572 0.742 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -11.377 -1.379 3.791 1.00 0.00 H new ATOM 0 HZ PHE A 65 -13.333 -1.350 2.268 1.00 0.00 H new ATOM 967 N ASP A 66 -10.208 3.023 -0.746 1.00 0.00 N ATOM 968 CA ASP A 66 -10.885 2.692 -1.993 1.00 0.00 C ATOM 969 C ASP A 66 -9.874 2.200 -3.020 1.00 0.00 C ATOM 970 O ASP A 66 -10.103 1.209 -3.710 1.00 0.00 O ATOM 971 CB ASP A 66 -11.612 3.925 -2.536 1.00 0.00 C ATOM 972 CG ASP A 66 -12.471 3.542 -3.736 1.00 0.00 C ATOM 973 OD1 ASP A 66 -13.225 2.591 -3.621 1.00 0.00 O ATOM 974 OD2 ASP A 66 -12.360 4.207 -4.753 1.00 0.00 O ATOM 0 H ASP A 66 -10.371 3.971 -0.406 1.00 0.00 H new ATOM 0 HA ASP A 66 -11.612 1.903 -1.800 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -12.237 4.361 -1.756 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -10.887 4.686 -2.826 1.00 0.00 H new ATOM 979 N GLU A 67 -8.743 2.888 -3.095 1.00 0.00 N ATOM 980 CA GLU A 67 -7.691 2.494 -4.023 1.00 0.00 C ATOM 981 C GLU A 67 -7.104 1.149 -3.608 1.00 0.00 C ATOM 982 O GLU A 67 -6.897 0.266 -4.440 1.00 0.00 O ATOM 983 CB GLU A 67 -6.595 3.557 -4.048 1.00 0.00 C ATOM 984 CG GLU A 67 -7.133 4.826 -4.713 1.00 0.00 C ATOM 985 CD GLU A 67 -6.069 5.914 -4.689 1.00 0.00 C ATOM 986 OE1 GLU A 67 -4.971 5.625 -4.247 1.00 0.00 O ATOM 987 OE2 GLU A 67 -6.368 7.018 -5.115 1.00 0.00 O ATOM 0 H GLU A 67 -8.531 3.712 -2.532 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.117 2.399 -5.022 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.264 3.777 -3.033 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.727 3.187 -4.594 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.424 4.613 -5.741 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -8.028 5.168 -4.193 1.00 0.00 H new ATOM 994 N PHE A 68 -6.855 0.995 -2.312 1.00 0.00 N ATOM 995 CA PHE A 68 -6.302 -0.250 -1.791 1.00 0.00 C ATOM 996 C PHE A 68 -7.239 -1.415 -2.086 1.00 0.00 C ATOM 997 O PHE A 68 -6.799 -2.493 -2.493 1.00 0.00 O ATOM 998 CB PHE A 68 -6.081 -0.143 -0.284 1.00 0.00 C ATOM 999 CG PHE A 68 -5.534 -1.452 0.241 1.00 0.00 C ATOM 1000 CD1 PHE A 68 -4.184 -1.771 0.056 1.00 0.00 C ATOM 1001 CD2 PHE A 68 -6.380 -2.348 0.911 1.00 0.00 C ATOM 1002 CE1 PHE A 68 -3.677 -2.980 0.545 1.00 0.00 C ATOM 1003 CE2 PHE A 68 -5.871 -3.556 1.399 1.00 0.00 C ATOM 1004 CZ PHE A 68 -4.521 -3.874 1.213 1.00 0.00 C ATOM 0 H PHE A 68 -7.026 1.712 -1.607 1.00 0.00 H new ATOM 0 HA PHE A 68 -5.346 -0.429 -2.282 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.386 0.668 -0.064 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -7.019 0.097 0.216 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.533 -1.084 -0.464 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -7.423 -2.105 1.050 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.634 -3.223 0.407 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -6.521 -4.244 1.920 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.130 -4.810 1.585 1.00 0.00 H new ATOM 1014 N LEU A 69 -8.537 -1.194 -1.891 1.00 0.00 N ATOM 1015 CA LEU A 69 -9.524 -2.230 -2.151 1.00 0.00 C ATOM 1016 C LEU A 69 -9.514 -2.617 -3.624 1.00 0.00 C ATOM 1017 O LEU A 69 -9.602 -3.797 -3.965 1.00 0.00 O ATOM 1018 CB LEU A 69 -10.914 -1.729 -1.737 1.00 0.00 C ATOM 1019 CG LEU A 69 -11.996 -2.816 -2.034 1.00 0.00 C ATOM 1020 CD1 LEU A 69 -12.845 -3.072 -0.780 1.00 0.00 C ATOM 1021 CD2 LEU A 69 -12.910 -2.354 -3.174 1.00 0.00 C ATOM 0 H LEU A 69 -8.924 -0.312 -1.556 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.275 -3.115 -1.566 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -10.918 -1.484 -0.675 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -11.153 -0.812 -2.276 1.00 0.00 H new ATOM 0 HG LEU A 69 -11.490 -3.736 -2.325 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -13.596 -3.831 -0.998 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -12.203 -3.419 0.030 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -13.339 -2.148 -0.481 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -13.660 -3.120 -3.372 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -13.405 -1.426 -2.890 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -12.315 -2.188 -4.072 1.00 0.00 H new ATOM 1033 N SER A 70 -9.386 -1.620 -4.497 1.00 0.00 N ATOM 1034 CA SER A 70 -9.347 -1.882 -5.929 1.00 0.00 C ATOM 1035 C SER A 70 -8.144 -2.757 -6.263 1.00 0.00 C ATOM 1036 O SER A 70 -8.256 -3.707 -7.034 1.00 0.00 O ATOM 1037 CB SER A 70 -9.263 -0.567 -6.703 1.00 0.00 C ATOM 1038 OG SER A 70 -9.205 -0.845 -8.095 1.00 0.00 O ATOM 0 H SER A 70 -9.309 -0.636 -4.240 1.00 0.00 H new ATOM 0 HA SER A 70 -10.260 -2.403 -6.217 1.00 0.00 H new ATOM 0 HB2 SER A 70 -10.130 0.055 -6.480 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.380 -0.006 -6.395 1.00 0.00 H new ATOM 0 HG SER A 70 -8.366 -0.497 -8.463 1.00 0.00 H new ATOM 1044 N LEU A 71 -6.995 -2.433 -5.677 1.00 0.00 N ATOM 1045 CA LEU A 71 -5.784 -3.198 -5.929 1.00 0.00 C ATOM 1046 C LEU A 71 -5.992 -4.668 -5.563 1.00 0.00 C ATOM 1047 O LEU A 71 -5.573 -5.566 -6.302 1.00 0.00 O ATOM 1048 CB LEU A 71 -4.604 -2.607 -5.104 1.00 0.00 C ATOM 1049 CG LEU A 71 -3.574 -1.946 -6.040 1.00 0.00 C ATOM 1050 CD1 LEU A 71 -2.497 -1.244 -5.202 1.00 0.00 C ATOM 1051 CD2 LEU A 71 -2.916 -3.021 -6.942 1.00 0.00 C ATOM 0 H LEU A 71 -6.880 -1.653 -5.030 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.547 -3.135 -6.991 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.981 -1.873 -4.392 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.125 -3.397 -4.525 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.078 -1.213 -6.670 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.768 -0.776 -5.864 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.962 -0.481 -4.577 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.995 -1.975 -4.568 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.189 -2.547 -7.601 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.413 -3.761 -6.319 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.683 -3.512 -7.541 1.00 0.00 H new ATOM 1063 N MET A 72 -6.640 -4.907 -4.429 1.00 0.00 N ATOM 1064 CA MET A 72 -6.887 -6.274 -3.999 1.00 0.00 C ATOM 1065 C MET A 72 -7.835 -6.966 -4.980 1.00 0.00 C ATOM 1066 O MET A 72 -7.576 -8.082 -5.424 1.00 0.00 O ATOM 1067 CB MET A 72 -7.499 -6.266 -2.592 1.00 0.00 C ATOM 1068 CG MET A 72 -6.418 -6.019 -1.534 1.00 0.00 C ATOM 1069 SD MET A 72 -5.457 -7.533 -1.279 1.00 0.00 S ATOM 1070 CE MET A 72 -6.426 -8.180 0.111 1.00 0.00 C ATOM 0 H MET A 72 -6.997 -4.186 -3.802 1.00 0.00 H new ATOM 0 HA MET A 72 -5.945 -6.821 -3.977 1.00 0.00 H new ATOM 0 HB2 MET A 72 -8.263 -5.491 -2.526 1.00 0.00 H new ATOM 0 HB3 MET A 72 -7.993 -7.218 -2.399 1.00 0.00 H new ATOM 0 HG2 MET A 72 -5.762 -5.209 -1.853 1.00 0.00 H new ATOM 0 HG3 MET A 72 -6.878 -5.706 -0.596 1.00 0.00 H new ATOM 0 HE1 MET A 72 -6.003 -9.130 0.438 1.00 0.00 H new ATOM 0 HE2 MET A 72 -6.400 -7.468 0.936 1.00 0.00 H new ATOM 0 HE3 MET A 72 -7.458 -8.332 -0.204 1.00 0.00 H new ATOM 1080 N ALA A 73 -8.923 -6.286 -5.330 1.00 0.00 N ATOM 1081 CA ALA A 73 -9.887 -6.847 -6.269 1.00 0.00 C ATOM 1082 C ALA A 73 -9.259 -7.005 -7.653 1.00 0.00 C ATOM 1083 O ALA A 73 -9.609 -7.916 -8.400 1.00 0.00 O ATOM 1084 CB ALA A 73 -11.120 -5.949 -6.363 1.00 0.00 C ATOM 0 H ALA A 73 -9.157 -5.356 -4.982 1.00 0.00 H new ATOM 0 HA ALA A 73 -10.187 -7.829 -5.904 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -11.831 -6.380 -7.068 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.586 -5.867 -5.381 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -10.823 -4.958 -6.707 1.00 0.00 H new ATOM 1090 N LYS A 74 -8.325 -6.115 -7.981 1.00 0.00 N ATOM 1091 CA LYS A 74 -7.640 -6.169 -9.272 1.00 0.00 C ATOM 1092 C LYS A 74 -6.780 -7.426 -9.368 1.00 0.00 C ATOM 1093 O LYS A 74 -6.624 -7.999 -10.446 1.00 0.00 O ATOM 1094 CB LYS A 74 -6.783 -4.910 -9.490 1.00 0.00 C ATOM 1095 CG LYS A 74 -7.649 -3.760 -10.033 1.00 0.00 C ATOM 1096 CD LYS A 74 -6.815 -2.473 -10.118 1.00 0.00 C ATOM 1097 CE LYS A 74 -7.619 -1.406 -10.863 1.00 0.00 C ATOM 1098 NZ LYS A 74 -9.039 -1.463 -10.418 1.00 0.00 N ATOM 0 H LYS A 74 -8.026 -5.351 -7.375 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.395 -6.206 -10.057 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.318 -4.611 -8.550 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.976 -5.128 -10.190 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -8.036 -4.019 -11.019 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -8.510 -3.603 -9.383 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -6.561 -2.123 -9.118 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -5.876 -2.667 -10.636 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -7.203 -0.418 -10.667 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -7.556 -1.571 -11.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -9.557 -0.647 -10.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -9.475 -2.343 -10.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -9.078 -1.439 -9.379 1.00 0.00 H new ATOM 1112 N LYS A 75 -6.206 -7.845 -8.242 1.00 0.00 N ATOM 1113 CA LYS A 75 -5.366 -9.039 -8.237 1.00 0.00 C ATOM 1114 C LYS A 75 -6.223 -10.284 -8.057 1.00 0.00 C ATOM 1115 O LYS A 75 -5.936 -11.334 -8.631 1.00 0.00 O ATOM 1116 CB LYS A 75 -4.318 -8.953 -7.121 1.00 0.00 C ATOM 1117 CG LYS A 75 -3.241 -10.038 -7.333 1.00 0.00 C ATOM 1118 CD LYS A 75 -2.184 -9.543 -8.334 1.00 0.00 C ATOM 1119 CE LYS A 75 -1.068 -10.574 -8.453 1.00 0.00 C ATOM 1120 NZ LYS A 75 -0.070 -10.105 -9.456 1.00 0.00 N ATOM 0 H LYS A 75 -6.305 -7.385 -7.337 1.00 0.00 H new ATOM 0 HA LYS A 75 -4.849 -9.103 -9.195 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.857 -7.965 -7.117 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -4.795 -9.086 -6.150 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.767 -10.282 -6.382 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.703 -10.953 -7.703 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -2.642 -9.375 -9.308 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -1.776 -8.587 -8.004 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -0.588 -10.720 -7.486 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -1.478 -11.538 -8.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 0.693 -10.806 -9.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -0.535 -9.987 -10.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 0.328 -9.194 -9.150 1.00 0.00 H new ATOM 1134 N VAL A 76 -7.279 -10.153 -7.262 1.00 0.00 N ATOM 1135 CA VAL A 76 -8.187 -11.271 -7.013 1.00 0.00 C ATOM 1136 C VAL A 76 -9.430 -11.140 -7.885 1.00 0.00 C ATOM 1137 O VAL A 76 -10.423 -11.827 -7.674 1.00 0.00 O ATOM 1138 CB VAL A 76 -8.605 -11.301 -5.536 1.00 0.00 C ATOM 1139 CG1 VAL A 76 -9.408 -12.589 -5.242 1.00 0.00 C ATOM 1140 CG2 VAL A 76 -7.352 -11.267 -4.657 1.00 0.00 C ATOM 0 H VAL A 76 -7.528 -9.289 -6.780 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.667 -12.197 -7.258 1.00 0.00 H new ATOM 0 HB VAL A 76 -9.230 -10.435 -5.320 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -9.701 -12.603 -4.192 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -10.300 -12.613 -5.868 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -8.790 -13.460 -5.458 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -7.644 -11.288 -3.607 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -6.729 -12.134 -4.878 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -6.790 -10.355 -4.859 1.00 0.00 H new ATOM 1150 N LYS A 77 -9.377 -10.261 -8.875 1.00 0.00 N ATOM 1151 CA LYS A 77 -10.521 -10.067 -9.759 1.00 0.00 C ATOM 1152 C LYS A 77 -11.066 -11.418 -10.215 1.00 0.00 C ATOM 1153 O LYS A 77 -12.272 -11.582 -10.404 1.00 0.00 O ATOM 1154 CB LYS A 77 -10.102 -9.232 -10.978 1.00 0.00 C ATOM 1155 CG LYS A 77 -11.328 -8.570 -11.619 1.00 0.00 C ATOM 1156 CD LYS A 77 -10.862 -7.606 -12.715 1.00 0.00 C ATOM 1157 CE LYS A 77 -12.068 -6.878 -13.310 1.00 0.00 C ATOM 1158 NZ LYS A 77 -13.012 -7.875 -13.888 1.00 0.00 N ATOM 0 H LYS A 77 -8.567 -9.678 -9.086 1.00 0.00 H new ATOM 0 HA LYS A 77 -11.303 -9.537 -9.216 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -9.385 -8.469 -10.675 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -9.601 -9.868 -11.708 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -11.987 -9.329 -12.041 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -11.902 -8.032 -10.865 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -10.157 -6.884 -12.302 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -10.335 -8.155 -13.496 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -12.568 -6.291 -12.540 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -11.741 -6.180 -14.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -13.369 -7.527 -14.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -12.518 -8.779 -14.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -13.810 -8.017 -13.236 1.00 0.00 H new ATOM 1172 N ASP A 78 -10.172 -12.383 -10.394 1.00 0.00 N ATOM 1173 CA ASP A 78 -10.592 -13.705 -10.837 1.00 0.00 C ATOM 1174 C ASP A 78 -11.754 -14.206 -9.988 1.00 0.00 C ATOM 1175 O ASP A 78 -12.808 -14.551 -10.519 1.00 0.00 O ATOM 1176 CB ASP A 78 -9.424 -14.684 -10.745 1.00 0.00 C ATOM 1177 CG ASP A 78 -8.265 -14.176 -11.595 1.00 0.00 C ATOM 1178 OD1 ASP A 78 -8.531 -13.563 -12.619 1.00 0.00 O ATOM 1179 OD2 ASP A 78 -7.131 -14.401 -11.210 1.00 0.00 O ATOM 0 H ASP A 78 -9.169 -12.278 -10.242 1.00 0.00 H new ATOM 0 HA ASP A 78 -10.919 -13.635 -11.874 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -9.108 -14.792 -9.708 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -9.735 -15.671 -11.088 1.00 0.00 H new ATOM 1184 N THR A 79 -11.567 -14.242 -8.674 1.00 0.00 N ATOM 1185 CA THR A 79 -12.624 -14.702 -7.776 1.00 0.00 C ATOM 1186 C THR A 79 -12.497 -14.031 -6.415 1.00 0.00 C ATOM 1187 O THR A 79 -12.582 -12.814 -6.370 1.00 0.00 O ATOM 1188 CB THR A 79 -12.555 -16.225 -7.617 1.00 0.00 C ATOM 1189 OG1 THR A 79 -13.408 -16.626 -6.554 1.00 0.00 O ATOM 1190 CG2 THR A 79 -11.119 -16.657 -7.311 1.00 0.00 C ATOM 1191 OXT THR A 79 -12.319 -14.739 -5.438 1.00 0.00 O ATOM 0 H THR A 79 -10.704 -13.962 -8.209 1.00 0.00 H new ATOM 0 HA THR A 79 -13.587 -14.433 -8.209 1.00 0.00 H new ATOM 0 HB THR A 79 -12.877 -16.697 -8.545 1.00 0.00 H new ATOM 0 HG1 THR A 79 -13.014 -16.355 -5.699 1.00 0.00 H new ATOM 0 HG21 THR A 79 -11.081 -17.741 -7.200 1.00 0.00 H new ATOM 0 HG22 THR A 79 -10.465 -16.353 -8.129 1.00 0.00 H new ATOM 0 HG23 THR A 79 -10.786 -16.186 -6.386 1.00 0.00 H new TER 1199 THR A 79 HETATM 1200 CA CA A 179 0.097 4.774 6.632 1.00 0.00 CA HETATM 1201 CA CA A 192 -3.520 8.254 -4.731 1.00 0.00 CA