USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 644 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl -163:sc= -0.117 (180deg=-0.592) USER MOD Single : A 1 MET N :NH3+ -174:sc= 0 (180deg=-0.0438) USER MOD Single : A 3 MET CE :methyl -119:sc= -2.61! (180deg=-5.07!) USER MOD Single : A 17 LYS NZ :NH3+ 163:sc= 1.25 (180deg=0.73) USER MOD Single : A 20 LYS NZ :NH3+ -165:sc= -0.0421 (180deg=-0.281) USER MOD Single : A 22 MET CE :methyl 168:sc= -0.342 (180deg=-0.724) USER MOD Single : A 25 GLN : amide:sc= -1.18 K(o=-1.2,f=-3.3!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 104:sc= -0.0539 USER MOD Single : A 40 ASN : amide:sc= -0.489 K(o=-0.49,f=-5.6!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 55 LYS NZ :NH3+ 160:sc= -0.108 (180deg=-0.471) USER MOD Single : A 59 LYS NZ :NH3+ 144:sc= -0.416 (180deg=-0.734!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.376 USER MOD Single : A 74 TYR OH : rot -72:sc= 0.392 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.747 13.634 6.906 1.00 70.30 N ATOM 2 CA MET A 1 -3.516 12.401 6.588 1.00 60.03 C ATOM 3 C MET A 1 -2.638 11.144 6.681 1.00 34.11 C ATOM 4 O MET A 1 -1.548 11.092 6.111 1.00 3.43 O ATOM 5 CB MET A 1 -4.102 12.484 5.168 1.00 63.11 C ATOM 6 CG MET A 1 -5.074 13.633 4.952 1.00 41.45 C ATOM 7 SD MET A 1 -5.803 13.615 3.297 1.00 40.41 S ATOM 8 CE MET A 1 -4.341 13.786 2.276 1.00 64.04 C ATOM 0 H1 MET A 1 -3.393 14.449 6.933 1.00 70.30 H new ATOM 0 H2 MET A 1 -2.286 13.527 7.832 1.00 70.30 H new ATOM 0 H3 MET A 1 -2.023 13.790 6.176 1.00 70.30 H new ATOM 0 HA MET A 1 -4.318 12.328 7.323 1.00 60.03 H new ATOM 0 HB2 MET A 1 -3.283 12.580 4.456 1.00 63.11 H new ATOM 0 HB3 MET A 1 -4.612 11.547 4.944 1.00 63.11 H new ATOM 0 HG2 MET A 1 -5.868 13.579 5.697 1.00 41.45 H new ATOM 0 HG3 MET A 1 -4.555 14.579 5.108 1.00 41.45 H new ATOM 0 HE1 MET A 1 -4.633 14.091 1.271 1.00 64.04 H new ATOM 0 HE2 MET A 1 -3.682 14.539 2.707 1.00 64.04 H new ATOM 0 HE3 MET A 1 -3.817 12.831 2.227 1.00 64.04 H new ATOM 20 N GLU A 2 -3.122 10.134 7.399 1.00 13.50 N ATOM 21 CA GLU A 2 -2.494 8.809 7.399 1.00 15.35 C ATOM 22 C GLU A 2 -3.191 7.906 6.373 1.00 3.01 C ATOM 23 O GLU A 2 -4.420 7.835 6.334 1.00 0.24 O ATOM 24 CB GLU A 2 -2.589 8.163 8.787 1.00 4.54 C ATOM 25 CG GLU A 2 -1.836 8.906 9.883 1.00 63.33 C ATOM 26 CD GLU A 2 -2.076 8.297 11.257 1.00 72.34 C ATOM 27 OE1 GLU A 2 -1.393 7.314 11.608 1.00 13.02 O ATOM 28 OE2 GLU A 2 -2.973 8.785 11.980 1.00 64.20 O ATOM 0 H GLU A 2 -3.950 10.205 7.991 1.00 13.50 H new ATOM 0 HA GLU A 2 -1.443 8.927 7.136 1.00 15.35 H new ATOM 0 HB2 GLU A 2 -3.639 8.092 9.070 1.00 4.54 H new ATOM 0 HB3 GLU A 2 -2.206 7.144 8.727 1.00 4.54 H new ATOM 0 HG2 GLU A 2 -0.769 8.892 9.662 1.00 63.33 H new ATOM 0 HG3 GLU A 2 -2.146 9.951 9.891 1.00 63.33 H new ATOM 35 N MET A 3 -2.422 7.211 5.553 1.00 22.04 N ATOM 36 CA MET A 3 -2.995 6.345 4.522 1.00 70.43 C ATOM 37 C MET A 3 -2.659 4.878 4.815 1.00 22.22 C ATOM 38 O MET A 3 -1.524 4.442 4.640 1.00 12.13 O ATOM 39 CB MET A 3 -2.458 6.766 3.151 1.00 55.41 C ATOM 40 CG MET A 3 -3.177 6.122 1.980 1.00 52.14 C ATOM 41 SD MET A 3 -2.638 6.793 0.398 1.00 61.31 S ATOM 42 CE MET A 3 -3.804 6.014 -0.710 1.00 22.51 C ATOM 0 H MET A 3 -1.402 7.225 5.576 1.00 22.04 H new ATOM 0 HA MET A 3 -4.080 6.447 4.522 1.00 70.43 H new ATOM 0 HB2 MET A 3 -2.535 7.849 3.060 1.00 55.41 H new ATOM 0 HB3 MET A 3 -1.399 6.516 3.095 1.00 55.41 H new ATOM 0 HG2 MET A 3 -3.001 5.046 1.995 1.00 52.14 H new ATOM 0 HG3 MET A 3 -4.251 6.271 2.089 1.00 52.14 H new ATOM 0 HE1 MET A 3 -3.266 5.392 -1.425 1.00 22.51 H new ATOM 0 HE2 MET A 3 -4.493 5.395 -0.136 1.00 22.51 H new ATOM 0 HE3 MET A 3 -4.365 6.780 -1.245 1.00 22.51 H new ATOM 52 N ASP A 4 -3.659 4.125 5.263 1.00 4.32 N ATOM 53 CA ASP A 4 -3.451 2.755 5.741 1.00 25.44 C ATOM 54 C ASP A 4 -3.825 1.725 4.661 1.00 24.11 C ATOM 55 O ASP A 4 -4.998 1.544 4.344 1.00 13.11 O ATOM 56 CB ASP A 4 -4.290 2.537 7.008 1.00 35.34 C ATOM 57 CG ASP A 4 -3.903 1.280 7.767 1.00 13.03 C ATOM 58 OD1 ASP A 4 -4.387 0.187 7.415 1.00 32.44 O ATOM 59 OD2 ASP A 4 -3.124 1.381 8.739 1.00 33.31 O ATOM 0 H ASP A 4 -4.628 4.440 5.306 1.00 4.32 H new ATOM 0 HA ASP A 4 -2.395 2.615 5.971 1.00 25.44 H new ATOM 0 HB2 ASP A 4 -4.178 3.400 7.664 1.00 35.34 H new ATOM 0 HB3 ASP A 4 -5.343 2.480 6.734 1.00 35.34 H new ATOM 64 N ILE A 5 -2.815 1.073 4.089 1.00 41.33 N ATOM 65 CA ILE A 5 -3.024 0.031 3.074 1.00 32.14 C ATOM 66 C ILE A 5 -2.274 -1.255 3.455 1.00 24.11 C ATOM 67 O ILE A 5 -1.047 -1.293 3.440 1.00 42.43 O ATOM 68 CB ILE A 5 -2.539 0.497 1.677 1.00 15.15 C ATOM 69 CG1 ILE A 5 -3.263 1.787 1.249 1.00 52.21 C ATOM 70 CG2 ILE A 5 -2.746 -0.605 0.640 1.00 71.31 C ATOM 71 CD1 ILE A 5 -2.844 2.304 -0.114 1.00 73.35 C ATOM 0 H ILE A 5 -1.835 1.247 4.310 1.00 41.33 H new ATOM 0 HA ILE A 5 -4.095 -0.165 3.031 1.00 32.14 H new ATOM 0 HB ILE A 5 -1.472 0.711 1.742 1.00 15.15 H new ATOM 0 HG12 ILE A 5 -4.337 1.604 1.243 1.00 52.21 H new ATOM 0 HG13 ILE A 5 -3.076 2.561 1.993 1.00 52.21 H new ATOM 0 HG21 ILE A 5 -2.399 -0.258 -0.334 1.00 71.31 H new ATOM 0 HG22 ILE A 5 -2.181 -1.490 0.932 1.00 71.31 H new ATOM 0 HG23 ILE A 5 -3.805 -0.854 0.580 1.00 71.31 H new ATOM 0 HD11 ILE A 5 -3.398 3.214 -0.344 1.00 73.35 H new ATOM 0 HD12 ILE A 5 -1.776 2.521 -0.108 1.00 73.35 H new ATOM 0 HD13 ILE A 5 -3.057 1.549 -0.871 1.00 73.35 H new ATOM 83 N ARG A 6 -3.005 -2.312 3.786 1.00 75.12 N ATOM 84 CA ARG A 6 -2.376 -3.560 4.237 1.00 2.54 C ATOM 85 C ARG A 6 -2.688 -4.740 3.303 1.00 75.51 C ATOM 86 O ARG A 6 -3.849 -5.104 3.094 1.00 51.42 O ATOM 87 CB ARG A 6 -2.801 -3.869 5.682 1.00 42.11 C ATOM 88 CG ARG A 6 -4.309 -3.973 5.887 1.00 51.11 C ATOM 89 CD ARG A 6 -4.682 -3.916 7.366 1.00 51.25 C ATOM 90 NE ARG A 6 -4.286 -2.643 7.971 1.00 21.25 N ATOM 91 CZ ARG A 6 -3.902 -2.497 9.208 1.00 31.32 C ATOM 92 NH1 ARG A 6 -3.852 -3.507 10.014 1.00 33.30 N ATOM 93 NH2 ARG A 6 -3.559 -1.329 9.630 1.00 32.12 N ATOM 0 H ARG A 6 -4.024 -2.337 3.753 1.00 75.12 H new ATOM 0 HA ARG A 6 -1.296 -3.418 4.207 1.00 2.54 H new ATOM 0 HB2 ARG A 6 -2.339 -4.807 5.991 1.00 42.11 H new ATOM 0 HB3 ARG A 6 -2.410 -3.090 6.337 1.00 42.11 H new ATOM 0 HG2 ARG A 6 -4.806 -3.162 5.355 1.00 51.11 H new ATOM 0 HG3 ARG A 6 -4.672 -4.906 5.456 1.00 51.11 H new ATOM 0 HD2 ARG A 6 -5.758 -4.053 7.476 1.00 51.25 H new ATOM 0 HD3 ARG A 6 -4.200 -4.737 7.896 1.00 51.25 H new ATOM 0 HE ARG A 6 -4.313 -1.811 7.382 1.00 21.25 H new ATOM 0 HH11 ARG A 6 -4.115 -4.436 9.685 1.00 33.30 H new ATOM 0 HH12 ARG A 6 -3.549 -3.375 10.979 1.00 33.30 H new ATOM 0 HH21 ARG A 6 -3.589 -0.529 8.998 1.00 32.12 H new ATOM 0 HH22 ARG A 6 -3.257 -1.204 10.596 1.00 32.12 H new ATOM 107 N PHE A 7 -1.635 -5.322 2.733 1.00 60.21 N ATOM 108 CA PHE A 7 -1.751 -6.485 1.842 1.00 71.11 C ATOM 109 C PHE A 7 -1.566 -7.800 2.616 1.00 34.24 C ATOM 110 O PHE A 7 -0.932 -7.828 3.665 1.00 52.43 O ATOM 111 CB PHE A 7 -0.681 -6.424 0.740 1.00 20.42 C ATOM 112 CG PHE A 7 -0.788 -5.246 -0.199 1.00 70.14 C ATOM 113 CD1 PHE A 7 -0.302 -3.999 0.167 1.00 73.21 C ATOM 114 CD2 PHE A 7 -1.355 -5.396 -1.459 1.00 23.30 C ATOM 115 CE1 PHE A 7 -0.383 -2.927 -0.703 1.00 50.54 C ATOM 116 CE2 PHE A 7 -1.435 -4.328 -2.330 1.00 20.24 C ATOM 117 CZ PHE A 7 -0.950 -3.092 -1.953 1.00 35.22 C ATOM 0 H PHE A 7 -0.676 -5.004 2.873 1.00 60.21 H new ATOM 0 HA PHE A 7 -2.749 -6.458 1.404 1.00 71.11 H new ATOM 0 HB2 PHE A 7 0.302 -6.404 1.211 1.00 20.42 H new ATOM 0 HB3 PHE A 7 -0.734 -7.341 0.153 1.00 20.42 H new ATOM 0 HD1 PHE A 7 0.144 -3.864 1.141 1.00 73.21 H new ATOM 0 HD2 PHE A 7 -1.738 -6.360 -1.760 1.00 23.30 H new ATOM 0 HE1 PHE A 7 -0.003 -1.961 -0.406 1.00 50.54 H new ATOM 0 HE2 PHE A 7 -1.877 -4.460 -3.307 1.00 20.24 H new ATOM 0 HZ PHE A 7 -1.013 -2.255 -2.633 1.00 35.22 H new ATOM 127 N ARG A 8 -2.118 -8.888 2.092 1.00 41.54 N ATOM 128 CA ARG A 8 -1.810 -10.231 2.601 1.00 75.05 C ATOM 129 C ARG A 8 -1.295 -11.123 1.464 1.00 64.11 C ATOM 130 O ARG A 8 -1.993 -11.354 0.476 1.00 30.22 O ATOM 131 CB ARG A 8 -3.040 -10.863 3.273 1.00 1.13 C ATOM 132 CG ARG A 8 -2.848 -12.336 3.629 1.00 4.50 C ATOM 133 CD ARG A 8 -3.960 -12.867 4.529 1.00 14.31 C ATOM 134 NE ARG A 8 -3.866 -12.332 5.885 1.00 51.14 N ATOM 135 CZ ARG A 8 -4.123 -13.010 6.970 1.00 31.52 C ATOM 136 NH1 ARG A 8 -4.482 -14.252 6.910 1.00 60.02 N ATOM 137 NH2 ARG A 8 -4.001 -12.438 8.118 1.00 55.12 N ATOM 0 H ARG A 8 -2.780 -8.873 1.317 1.00 41.54 H new ATOM 0 HA ARG A 8 -1.028 -10.140 3.355 1.00 75.05 H new ATOM 0 HB2 ARG A 8 -3.276 -10.306 4.180 1.00 1.13 H new ATOM 0 HB3 ARG A 8 -3.898 -10.767 2.607 1.00 1.13 H new ATOM 0 HG2 ARG A 8 -2.812 -12.926 2.713 1.00 4.50 H new ATOM 0 HG3 ARG A 8 -1.888 -12.464 4.129 1.00 4.50 H new ATOM 0 HD2 ARG A 8 -4.928 -12.606 4.102 1.00 14.31 H new ATOM 0 HD3 ARG A 8 -3.910 -13.955 4.564 1.00 14.31 H new ATOM 0 HE ARG A 8 -3.579 -11.359 5.991 1.00 51.14 H new ATOM 0 HH11 ARG A 8 -4.568 -14.715 6.005 1.00 60.02 H new ATOM 0 HH12 ARG A 8 -4.679 -14.768 7.768 1.00 60.02 H new ATOM 0 HH21 ARG A 8 -3.706 -11.463 8.173 1.00 55.12 H new ATOM 0 HH22 ARG A 8 -4.200 -12.960 8.972 1.00 55.12 H new ATOM 151 N GLY A 9 -0.071 -11.625 1.605 1.00 74.21 N ATOM 152 CA GLY A 9 0.545 -12.414 0.540 1.00 14.42 C ATOM 153 C GLY A 9 0.924 -13.827 0.977 1.00 12.33 C ATOM 154 O GLY A 9 1.488 -14.022 2.054 1.00 25.52 O ATOM 0 H GLY A 9 0.509 -11.502 2.435 1.00 74.21 H new ATOM 0 HA2 GLY A 9 -0.144 -12.474 -0.303 1.00 14.42 H new ATOM 0 HA3 GLY A 9 1.438 -11.899 0.186 1.00 14.42 H new ATOM 158 N ASP A 10 0.615 -14.815 0.137 1.00 3.22 N ATOM 159 CA ASP A 10 0.970 -16.210 0.415 1.00 10.22 C ATOM 160 C ASP A 10 2.477 -16.461 0.228 1.00 52.23 C ATOM 161 O ASP A 10 3.114 -17.128 1.048 1.00 34.35 O ATOM 162 CB ASP A 10 0.168 -17.139 -0.499 1.00 42.43 C ATOM 163 CG ASP A 10 -1.326 -17.029 -0.257 1.00 72.14 C ATOM 164 OD1 ASP A 10 -1.984 -16.194 -0.915 1.00 44.21 O ATOM 165 OD2 ASP A 10 -1.854 -17.785 0.584 1.00 24.12 O ATOM 0 H ASP A 10 0.119 -14.676 -0.743 1.00 3.22 H new ATOM 0 HA ASP A 10 0.726 -16.418 1.457 1.00 10.22 H new ATOM 0 HB2 ASP A 10 0.385 -16.898 -1.540 1.00 42.43 H new ATOM 0 HB3 ASP A 10 0.486 -18.169 -0.337 1.00 42.43 H new ATOM 170 N ASP A 11 3.035 -15.921 -0.851 1.00 33.42 N ATOM 171 CA ASP A 11 4.454 -16.105 -1.170 1.00 74.23 C ATOM 172 C ASP A 11 5.340 -15.028 -0.516 1.00 74.02 C ATOM 173 O ASP A 11 4.875 -14.234 0.306 1.00 63.25 O ATOM 174 CB ASP A 11 4.643 -16.097 -2.687 1.00 64.02 C ATOM 175 CG ASP A 11 4.146 -14.814 -3.325 1.00 54.30 C ATOM 176 OD1 ASP A 11 2.917 -14.679 -3.512 1.00 63.40 O ATOM 177 OD2 ASP A 11 4.979 -13.947 -3.653 1.00 52.40 O ATOM 0 H ASP A 11 2.526 -15.349 -1.525 1.00 33.42 H new ATOM 0 HA ASP A 11 4.766 -17.067 -0.764 1.00 74.23 H new ATOM 0 HB2 ASP A 11 5.700 -16.229 -2.919 1.00 64.02 H new ATOM 0 HB3 ASP A 11 4.112 -16.945 -3.121 1.00 64.02 H new ATOM 182 N LEU A 12 6.618 -15.008 -0.889 1.00 64.12 N ATOM 183 CA LEU A 12 7.584 -14.081 -0.291 1.00 74.34 C ATOM 184 C LEU A 12 7.774 -12.802 -1.131 1.00 64.12 C ATOM 185 O LEU A 12 7.652 -11.691 -0.616 1.00 12.13 O ATOM 186 CB LEU A 12 8.936 -14.782 -0.099 1.00 72.31 C ATOM 187 CG LEU A 12 10.026 -13.930 0.574 1.00 34.01 C ATOM 188 CD1 LEU A 12 9.591 -13.481 1.966 1.00 52.43 C ATOM 189 CD2 LEU A 12 11.342 -14.698 0.643 1.00 72.22 C ATOM 0 H LEU A 12 7.011 -15.622 -1.602 1.00 64.12 H new ATOM 0 HA LEU A 12 7.181 -13.778 0.675 1.00 74.34 H new ATOM 0 HB2 LEU A 12 8.780 -15.681 0.498 1.00 72.31 H new ATOM 0 HB3 LEU A 12 9.301 -15.106 -1.074 1.00 72.31 H new ATOM 0 HG LEU A 12 10.179 -13.038 -0.034 1.00 34.01 H new ATOM 0 HD11 LEU A 12 10.381 -12.881 2.418 1.00 52.43 H new ATOM 0 HD12 LEU A 12 8.682 -12.885 1.888 1.00 52.43 H new ATOM 0 HD13 LEU A 12 9.400 -14.356 2.587 1.00 52.43 H new ATOM 0 HD21 LEU A 12 12.100 -14.079 1.122 1.00 72.22 H new ATOM 0 HD22 LEU A 12 11.201 -15.611 1.221 1.00 72.22 H new ATOM 0 HD23 LEU A 12 11.667 -14.954 -0.365 1.00 72.22 H new ATOM 201 N GLU A 13 8.068 -12.957 -2.424 1.00 64.44 N ATOM 202 CA GLU A 13 8.425 -11.807 -3.272 1.00 2.54 C ATOM 203 C GLU A 13 7.295 -10.769 -3.381 1.00 32.34 C ATOM 204 O GLU A 13 7.560 -9.587 -3.607 1.00 34.40 O ATOM 205 CB GLU A 13 8.851 -12.257 -4.674 1.00 33.33 C ATOM 206 CG GLU A 13 7.737 -12.877 -5.509 1.00 11.51 C ATOM 207 CD GLU A 13 8.140 -13.046 -6.962 1.00 2.40 C ATOM 208 OE1 GLU A 13 8.943 -13.953 -7.260 1.00 62.15 O ATOM 209 OE2 GLU A 13 7.676 -12.254 -7.811 1.00 62.41 O ATOM 0 H GLU A 13 8.068 -13.856 -2.907 1.00 64.44 H new ATOM 0 HA GLU A 13 9.268 -11.325 -2.778 1.00 2.54 H new ATOM 0 HB2 GLU A 13 9.253 -11.397 -5.210 1.00 33.33 H new ATOM 0 HB3 GLU A 13 9.661 -12.980 -4.578 1.00 33.33 H new ATOM 0 HG2 GLU A 13 7.469 -13.848 -5.092 1.00 11.51 H new ATOM 0 HG3 GLU A 13 6.848 -12.249 -5.450 1.00 11.51 H new ATOM 216 N ALA A 14 6.044 -11.208 -3.221 1.00 1.43 N ATOM 217 CA ALA A 14 4.894 -10.290 -3.246 1.00 43.12 C ATOM 218 C ALA A 14 5.085 -9.138 -2.243 1.00 33.43 C ATOM 219 O ALA A 14 4.614 -8.021 -2.463 1.00 14.14 O ATOM 220 CB ALA A 14 3.603 -11.045 -2.945 1.00 5.44 C ATOM 0 H ALA A 14 5.799 -12.187 -3.073 1.00 1.43 H new ATOM 0 HA ALA A 14 4.826 -9.862 -4.246 1.00 43.12 H new ATOM 0 HB1 ALA A 14 2.762 -10.352 -2.967 1.00 5.44 H new ATOM 0 HB2 ALA A 14 3.453 -11.822 -3.695 1.00 5.44 H new ATOM 0 HB3 ALA A 14 3.670 -11.502 -1.958 1.00 5.44 H new ATOM 226 N PHE A 15 5.790 -9.430 -1.150 1.00 4.22 N ATOM 227 CA PHE A 15 6.168 -8.414 -0.160 1.00 2.32 C ATOM 228 C PHE A 15 7.029 -7.306 -0.794 1.00 45.01 C ATOM 229 O PHE A 15 6.672 -6.127 -0.753 1.00 24.14 O ATOM 230 CB PHE A 15 6.922 -9.085 1.006 1.00 43.41 C ATOM 231 CG PHE A 15 7.737 -8.137 1.860 1.00 71.04 C ATOM 232 CD1 PHE A 15 7.123 -7.214 2.691 1.00 13.43 C ATOM 233 CD2 PHE A 15 9.126 -8.173 1.822 1.00 21.45 C ATOM 234 CE1 PHE A 15 7.875 -6.348 3.466 1.00 24.43 C ATOM 235 CE2 PHE A 15 9.880 -7.309 2.594 1.00 23.04 C ATOM 236 CZ PHE A 15 9.254 -6.396 3.415 1.00 15.10 C ATOM 0 H PHE A 15 6.115 -10.370 -0.924 1.00 4.22 H new ATOM 0 HA PHE A 15 5.260 -7.946 0.219 1.00 2.32 H new ATOM 0 HB2 PHE A 15 6.199 -9.596 1.642 1.00 43.41 H new ATOM 0 HB3 PHE A 15 7.585 -9.849 0.600 1.00 43.41 H new ATOM 0 HD1 PHE A 15 6.045 -7.170 2.735 1.00 13.43 H new ATOM 0 HD2 PHE A 15 9.623 -8.886 1.181 1.00 21.45 H new ATOM 0 HE1 PHE A 15 7.383 -5.635 4.111 1.00 24.43 H new ATOM 0 HE2 PHE A 15 10.958 -7.349 2.554 1.00 23.04 H new ATOM 0 HZ PHE A 15 9.841 -5.719 4.018 1.00 15.10 H new ATOM 246 N GLU A 16 8.158 -7.695 -1.382 1.00 60.52 N ATOM 247 CA GLU A 16 9.098 -6.738 -1.977 1.00 64.33 C ATOM 248 C GLU A 16 8.503 -6.028 -3.202 1.00 62.34 C ATOM 249 O GLU A 16 8.524 -4.799 -3.287 1.00 4.31 O ATOM 250 CB GLU A 16 10.396 -7.448 -2.382 1.00 62.13 C ATOM 251 CG GLU A 16 11.149 -8.082 -1.218 1.00 14.21 C ATOM 252 CD GLU A 16 12.454 -8.725 -1.652 1.00 33.02 C ATOM 253 OE1 GLU A 16 13.460 -7.999 -1.801 1.00 12.45 O ATOM 254 OE2 GLU A 16 12.480 -9.953 -1.869 1.00 33.12 O ATOM 0 H GLU A 16 8.448 -8.670 -1.461 1.00 60.52 H new ATOM 0 HA GLU A 16 9.308 -5.984 -1.219 1.00 64.33 H new ATOM 0 HB2 GLU A 16 10.161 -8.222 -3.113 1.00 62.13 H new ATOM 0 HB3 GLU A 16 11.051 -6.730 -2.876 1.00 62.13 H new ATOM 0 HG2 GLU A 16 11.355 -7.321 -0.465 1.00 14.21 H new ATOM 0 HG3 GLU A 16 10.516 -8.834 -0.746 1.00 14.21 H new ATOM 261 N LYS A 17 7.971 -6.811 -4.142 1.00 4.23 N ATOM 262 CA LYS A 17 7.437 -6.272 -5.402 1.00 53.54 C ATOM 263 C LYS A 17 6.369 -5.189 -5.152 1.00 75.13 C ATOM 264 O LYS A 17 6.484 -4.068 -5.646 1.00 11.35 O ATOM 265 CB LYS A 17 6.840 -7.405 -6.256 1.00 62.42 C ATOM 266 CG LYS A 17 7.817 -8.533 -6.597 1.00 41.14 C ATOM 267 CD LYS A 17 8.990 -8.050 -7.445 1.00 15.03 C ATOM 268 CE LYS A 17 9.905 -9.204 -7.852 1.00 74.54 C ATOM 269 NZ LYS A 17 9.208 -10.200 -8.712 1.00 31.30 N ATOM 0 H LYS A 17 7.897 -7.825 -4.057 1.00 4.23 H new ATOM 0 HA LYS A 17 8.266 -5.810 -5.938 1.00 53.54 H new ATOM 0 HB2 LYS A 17 5.987 -7.829 -5.727 1.00 62.42 H new ATOM 0 HB3 LYS A 17 6.459 -6.980 -7.185 1.00 62.42 H new ATOM 0 HG2 LYS A 17 8.196 -8.973 -5.675 1.00 41.14 H new ATOM 0 HG3 LYS A 17 7.286 -9.321 -7.131 1.00 41.14 H new ATOM 0 HD2 LYS A 17 8.613 -7.552 -8.338 1.00 15.03 H new ATOM 0 HD3 LYS A 17 9.563 -7.311 -6.886 1.00 15.03 H new ATOM 0 HE2 LYS A 17 10.770 -8.809 -8.385 1.00 74.54 H new ATOM 0 HE3 LYS A 17 10.281 -9.700 -6.957 1.00 74.54 H new ATOM 0 HZ1 LYS A 17 9.912 -10.795 -9.194 1.00 31.30 H new ATOM 0 HZ2 LYS A 17 8.594 -10.798 -8.123 1.00 31.30 H new ATOM 0 HZ3 LYS A 17 8.631 -9.703 -9.420 1.00 31.30 H new ATOM 283 N ALA A 18 5.344 -5.525 -4.368 1.00 30.25 N ATOM 284 CA ALA A 18 4.249 -4.584 -4.084 1.00 52.54 C ATOM 285 C ALA A 18 4.735 -3.357 -3.292 1.00 63.25 C ATOM 286 O ALA A 18 4.494 -2.211 -3.689 1.00 43.03 O ATOM 287 CB ALA A 18 3.126 -5.292 -3.328 1.00 11.02 C ATOM 0 H ALA A 18 5.245 -6.435 -3.918 1.00 30.25 H new ATOM 0 HA ALA A 18 3.868 -4.226 -5.041 1.00 52.54 H new ATOM 0 HB1 ALA A 18 2.322 -4.585 -3.124 1.00 11.02 H new ATOM 0 HB2 ALA A 18 2.742 -6.113 -3.933 1.00 11.02 H new ATOM 0 HB3 ALA A 18 3.512 -5.684 -2.387 1.00 11.02 H new ATOM 293 N LEU A 19 5.428 -3.606 -2.181 1.00 1.10 N ATOM 294 CA LEU A 19 5.937 -2.537 -1.312 1.00 53.54 C ATOM 295 C LEU A 19 6.824 -1.545 -2.085 1.00 24.13 C ATOM 296 O LEU A 19 6.641 -0.329 -1.991 1.00 72.12 O ATOM 297 CB LEU A 19 6.727 -3.153 -0.145 1.00 62.55 C ATOM 298 CG LEU A 19 7.364 -2.157 0.841 1.00 43.54 C ATOM 299 CD1 LEU A 19 6.298 -1.310 1.536 1.00 32.10 C ATOM 300 CD2 LEU A 19 8.222 -2.892 1.869 1.00 13.40 C ATOM 0 H LEU A 19 5.653 -4.547 -1.857 1.00 1.10 H new ATOM 0 HA LEU A 19 5.082 -1.981 -0.927 1.00 53.54 H new ATOM 0 HB2 LEU A 19 6.059 -3.809 0.413 1.00 62.55 H new ATOM 0 HB3 LEU A 19 7.517 -3.780 -0.558 1.00 62.55 H new ATOM 0 HG LEU A 19 8.007 -1.486 0.271 1.00 43.54 H new ATOM 0 HD11 LEU A 19 6.778 -0.616 2.226 1.00 32.10 H new ATOM 0 HD12 LEU A 19 5.736 -0.749 0.790 1.00 32.10 H new ATOM 0 HD13 LEU A 19 5.620 -1.960 2.088 1.00 32.10 H new ATOM 0 HD21 LEU A 19 8.663 -2.171 2.557 1.00 13.40 H new ATOM 0 HD22 LEU A 19 7.601 -3.593 2.427 1.00 13.40 H new ATOM 0 HD23 LEU A 19 9.015 -3.438 1.358 1.00 13.40 H new ATOM 312 N LYS A 20 7.773 -2.069 -2.857 1.00 25.40 N ATOM 313 CA LYS A 20 8.738 -1.232 -3.579 1.00 20.03 C ATOM 314 C LYS A 20 8.056 -0.311 -4.608 1.00 54.20 C ATOM 315 O LYS A 20 8.435 0.854 -4.752 1.00 33.15 O ATOM 316 CB LYS A 20 9.787 -2.111 -4.273 1.00 62.11 C ATOM 317 CG LYS A 20 10.913 -1.324 -4.944 1.00 13.04 C ATOM 318 CD LYS A 20 11.679 -0.462 -3.941 1.00 12.31 C ATOM 319 CE LYS A 20 12.846 0.269 -4.596 1.00 33.25 C ATOM 320 NZ LYS A 20 13.843 -0.677 -5.162 1.00 62.14 N ATOM 0 H LYS A 20 7.897 -3.071 -3.001 1.00 25.40 H new ATOM 0 HA LYS A 20 9.226 -0.593 -2.843 1.00 20.03 H new ATOM 0 HB2 LYS A 20 10.220 -2.790 -3.539 1.00 62.11 H new ATOM 0 HB3 LYS A 20 9.291 -2.727 -5.023 1.00 62.11 H new ATOM 0 HG2 LYS A 20 11.601 -2.016 -5.429 1.00 13.04 H new ATOM 0 HG3 LYS A 20 10.497 -0.689 -5.726 1.00 13.04 H new ATOM 0 HD2 LYS A 20 11.001 0.264 -3.494 1.00 12.31 H new ATOM 0 HD3 LYS A 20 12.052 -1.090 -3.132 1.00 12.31 H new ATOM 0 HE2 LYS A 20 12.470 0.917 -5.387 1.00 33.25 H new ATOM 0 HE3 LYS A 20 13.331 0.911 -3.861 1.00 33.25 H new ATOM 0 HZ1 LYS A 20 14.727 -0.168 -5.367 1.00 62.14 H new ATOM 0 HZ2 LYS A 20 14.031 -1.435 -4.475 1.00 62.14 H new ATOM 0 HZ3 LYS A 20 13.470 -1.090 -6.040 1.00 62.14 H new ATOM 334 N GLU A 21 7.059 -0.834 -5.323 1.00 24.05 N ATOM 335 CA GLU A 21 6.318 -0.037 -6.313 1.00 42.21 C ATOM 336 C GLU A 21 5.636 1.172 -5.654 1.00 21.30 C ATOM 337 O GLU A 21 5.812 2.310 -6.095 1.00 71.51 O ATOM 338 CB GLU A 21 5.278 -0.904 -7.038 1.00 71.31 C ATOM 339 CG GLU A 21 5.885 -2.042 -7.861 1.00 54.52 C ATOM 340 CD GLU A 21 6.821 -1.554 -8.957 1.00 52.13 C ATOM 341 OE1 GLU A 21 6.333 -1.238 -10.067 1.00 44.12 O ATOM 342 OE2 GLU A 21 8.050 -1.490 -8.722 1.00 45.02 O ATOM 0 H GLU A 21 6.744 -1.800 -5.239 1.00 24.05 H new ATOM 0 HA GLU A 21 7.035 0.334 -7.045 1.00 42.21 H new ATOM 0 HB2 GLU A 21 4.594 -1.326 -6.301 1.00 71.31 H new ATOM 0 HB3 GLU A 21 4.685 -0.269 -7.696 1.00 71.31 H new ATOM 0 HG2 GLU A 21 6.431 -2.711 -7.196 1.00 54.52 H new ATOM 0 HG3 GLU A 21 5.082 -2.625 -8.311 1.00 54.52 H new ATOM 349 N MET A 22 4.881 0.922 -4.584 1.00 32.54 N ATOM 350 CA MET A 22 4.203 1.999 -3.846 1.00 52.13 C ATOM 351 C MET A 22 5.212 3.023 -3.302 1.00 30.32 C ATOM 352 O MET A 22 5.009 4.236 -3.411 1.00 72.31 O ATOM 353 CB MET A 22 3.373 1.415 -2.693 1.00 52.55 C ATOM 354 CG MET A 22 2.257 0.490 -3.151 1.00 40.11 C ATOM 355 SD MET A 22 1.304 -0.184 -1.775 1.00 42.14 S ATOM 356 CE MET A 22 0.606 1.308 -1.073 1.00 11.52 C ATOM 0 H MET A 22 4.721 -0.012 -4.206 1.00 32.54 H new ATOM 0 HA MET A 22 3.538 2.513 -4.541 1.00 52.13 H new ATOM 0 HB2 MET A 22 4.035 0.867 -2.022 1.00 52.55 H new ATOM 0 HB3 MET A 22 2.941 2.233 -2.117 1.00 52.55 H new ATOM 0 HG2 MET A 22 1.589 1.035 -3.818 1.00 40.11 H new ATOM 0 HG3 MET A 22 2.684 -0.330 -3.728 1.00 40.11 H new ATOM 0 HE1 MET A 22 -0.170 1.044 -0.354 1.00 11.52 H new ATOM 0 HE2 MET A 22 1.389 1.874 -0.569 1.00 11.52 H new ATOM 0 HE3 MET A 22 0.173 1.916 -1.867 1.00 11.52 H new ATOM 366 N ILE A 23 6.308 2.527 -2.724 1.00 62.40 N ATOM 367 CA ILE A 23 7.383 3.397 -2.231 1.00 14.44 C ATOM 368 C ILE A 23 7.987 4.237 -3.371 1.00 30.42 C ATOM 369 O ILE A 23 8.329 5.404 -3.182 1.00 40.31 O ATOM 370 CB ILE A 23 8.506 2.573 -1.542 1.00 62.02 C ATOM 371 CG1 ILE A 23 7.971 1.888 -0.273 1.00 42.32 C ATOM 372 CG2 ILE A 23 9.711 3.453 -1.211 1.00 11.11 C ATOM 373 CD1 ILE A 23 9.020 1.102 0.489 1.00 34.03 C ATOM 0 H ILE A 23 6.476 1.531 -2.585 1.00 62.40 H new ATOM 0 HA ILE A 23 6.938 4.068 -1.496 1.00 14.44 H new ATOM 0 HB ILE A 23 8.835 1.803 -2.240 1.00 62.02 H new ATOM 0 HG12 ILE A 23 7.549 2.646 0.387 1.00 42.32 H new ATOM 0 HG13 ILE A 23 7.158 1.217 -0.549 1.00 42.32 H new ATOM 0 HG21 ILE A 23 10.481 2.850 -0.730 1.00 11.11 H new ATOM 0 HG22 ILE A 23 10.109 3.885 -2.129 1.00 11.11 H new ATOM 0 HG23 ILE A 23 9.403 4.253 -0.538 1.00 11.11 H new ATOM 0 HD11 ILE A 23 8.566 0.649 1.370 1.00 34.03 H new ATOM 0 HD12 ILE A 23 9.426 0.320 -0.153 1.00 34.03 H new ATOM 0 HD13 ILE A 23 9.823 1.771 0.798 1.00 34.03 H new ATOM 385 N ARG A 24 8.099 3.637 -4.557 1.00 44.34 N ATOM 386 CA ARG A 24 8.665 4.317 -5.730 1.00 12.54 C ATOM 387 C ARG A 24 7.886 5.604 -6.064 1.00 45.13 C ATOM 388 O ARG A 24 8.469 6.684 -6.177 1.00 33.42 O ATOM 389 CB ARG A 24 8.651 3.371 -6.943 1.00 53.41 C ATOM 390 CG ARG A 24 9.433 3.892 -8.144 1.00 62.03 C ATOM 391 CD ARG A 24 9.167 3.074 -9.407 1.00 10.42 C ATOM 392 NE ARG A 24 9.462 1.650 -9.240 1.00 20.55 N ATOM 393 CZ ARG A 24 9.983 0.897 -10.173 1.00 24.30 C ATOM 394 NH1 ARG A 24 10.307 1.394 -11.325 1.00 75.24 N ATOM 395 NH2 ARG A 24 10.170 -0.362 -9.959 1.00 12.15 N ATOM 0 H ARG A 24 7.804 2.677 -4.734 1.00 44.34 H new ATOM 0 HA ARG A 24 9.692 4.594 -5.494 1.00 12.54 H new ATOM 0 HB2 ARG A 24 9.063 2.407 -6.644 1.00 53.41 H new ATOM 0 HB3 ARG A 24 7.618 3.196 -7.243 1.00 53.41 H new ATOM 0 HG2 ARG A 24 9.166 4.933 -8.325 1.00 62.03 H new ATOM 0 HG3 ARG A 24 10.499 3.871 -7.918 1.00 62.03 H new ATOM 0 HD2 ARG A 24 8.123 3.191 -9.696 1.00 10.42 H new ATOM 0 HD3 ARG A 24 9.770 3.471 -10.224 1.00 10.42 H new ATOM 0 HE ARG A 24 9.248 1.219 -8.341 1.00 20.55 H new ATOM 0 HH11 ARG A 24 10.156 2.385 -11.513 1.00 75.24 H new ATOM 0 HH12 ARG A 24 10.713 0.794 -12.043 1.00 75.24 H new ATOM 0 HH21 ARG A 24 9.911 -0.771 -9.061 1.00 12.15 H new ATOM 0 HH22 ARG A 24 10.577 -0.948 -10.688 1.00 12.15 H new ATOM 409 N GLN A 25 6.568 5.482 -6.215 1.00 63.14 N ATOM 410 CA GLN A 25 5.711 6.637 -6.508 1.00 34.34 C ATOM 411 C GLN A 25 5.627 7.606 -5.314 1.00 1.20 C ATOM 412 O GLN A 25 5.671 8.826 -5.488 1.00 15.11 O ATOM 413 CB GLN A 25 4.293 6.183 -6.905 1.00 24.23 C ATOM 414 CG GLN A 25 4.169 5.625 -8.323 1.00 0.12 C ATOM 415 CD GLN A 25 5.005 4.377 -8.558 1.00 13.33 C ATOM 416 OE1 GLN A 25 6.162 4.456 -8.964 1.00 23.31 O ATOM 417 NE2 GLN A 25 4.433 3.218 -8.305 1.00 22.41 N ATOM 0 H GLN A 25 6.067 4.596 -6.140 1.00 63.14 H new ATOM 0 HA GLN A 25 6.167 7.165 -7.345 1.00 34.34 H new ATOM 0 HB2 GLN A 25 3.961 5.421 -6.200 1.00 24.23 H new ATOM 0 HB3 GLN A 25 3.614 7.030 -6.803 1.00 24.23 H new ATOM 0 HG2 GLN A 25 3.123 5.395 -8.524 1.00 0.12 H new ATOM 0 HG3 GLN A 25 4.469 6.394 -9.035 1.00 0.12 H new ATOM 0 HE21 GLN A 25 3.470 3.187 -7.969 1.00 22.41 H new ATOM 0 HE22 GLN A 25 4.953 2.351 -8.445 1.00 22.41 H new ATOM 426 N ALA A 26 5.508 7.058 -4.104 1.00 13.54 N ATOM 427 CA ALA A 26 5.348 7.871 -2.890 1.00 54.25 C ATOM 428 C ALA A 26 6.570 8.763 -2.606 1.00 12.40 C ATOM 429 O ALA A 26 6.423 9.939 -2.262 1.00 34.40 O ATOM 430 CB ALA A 26 5.067 6.970 -1.694 1.00 74.24 C ATOM 0 H ALA A 26 5.519 6.052 -3.935 1.00 13.54 H new ATOM 0 HA ALA A 26 4.502 8.537 -3.059 1.00 54.25 H new ATOM 0 HB1 ALA A 26 4.950 7.580 -0.798 1.00 74.24 H new ATOM 0 HB2 ALA A 26 4.152 6.405 -1.871 1.00 74.24 H new ATOM 0 HB3 ALA A 26 5.898 6.279 -1.556 1.00 74.24 H new ATOM 436 N ARG A 27 7.774 8.204 -2.755 1.00 12.22 N ATOM 437 CA ARG A 27 9.019 8.944 -2.490 1.00 22.43 C ATOM 438 C ARG A 27 9.169 10.187 -3.381 1.00 44.24 C ATOM 439 O ARG A 27 9.853 11.142 -3.006 1.00 33.12 O ATOM 440 CB ARG A 27 10.246 8.033 -2.640 1.00 72.24 C ATOM 441 CG ARG A 27 10.394 7.015 -1.513 1.00 24.31 C ATOM 442 CD ARG A 27 11.727 6.282 -1.581 1.00 21.23 C ATOM 443 NE ARG A 27 12.857 7.209 -1.546 1.00 20.15 N ATOM 444 CZ ARG A 27 13.775 7.227 -0.618 1.00 1.34 C ATOM 445 NH1 ARG A 27 13.732 6.400 0.379 1.00 2.23 N ATOM 446 NH2 ARG A 27 14.731 8.089 -0.687 1.00 33.01 N ATOM 0 H ARG A 27 7.917 7.241 -3.058 1.00 12.22 H new ATOM 0 HA ARG A 27 8.958 9.289 -1.458 1.00 22.43 H new ATOM 0 HB2 ARG A 27 10.180 7.503 -3.590 1.00 72.24 H new ATOM 0 HB3 ARG A 27 11.143 8.650 -2.681 1.00 72.24 H new ATOM 0 HG2 ARG A 27 10.307 7.522 -0.552 1.00 24.31 H new ATOM 0 HG3 ARG A 27 9.579 6.293 -1.567 1.00 24.31 H new ATOM 0 HD2 ARG A 27 11.802 5.585 -0.746 1.00 21.23 H new ATOM 0 HD3 ARG A 27 11.770 5.690 -2.495 1.00 21.23 H new ATOM 0 HE ARG A 27 12.934 7.891 -2.301 1.00 20.15 H new ATOM 0 HH11 ARG A 27 12.973 5.722 0.447 1.00 2.23 H new ATOM 0 HH12 ARG A 27 14.457 6.427 1.096 1.00 2.23 H new ATOM 0 HH21 ARG A 27 14.766 8.750 -1.463 1.00 33.01 H new ATOM 0 HH22 ARG A 27 15.452 8.110 0.034 1.00 33.01 H new ATOM 460 N LYS A 28 8.567 10.161 -4.572 1.00 52.14 N ATOM 461 CA LYS A 28 8.555 11.337 -5.460 1.00 44.54 C ATOM 462 C LYS A 28 7.908 12.551 -4.760 1.00 53.41 C ATOM 463 O LYS A 28 8.169 13.708 -5.106 1.00 11.54 O ATOM 464 CB LYS A 28 7.799 11.010 -6.757 1.00 70.43 C ATOM 465 CG LYS A 28 7.768 12.160 -7.765 1.00 22.13 C ATOM 466 CD LYS A 28 6.937 11.816 -8.999 1.00 34.31 C ATOM 467 CE LYS A 28 7.526 10.646 -9.778 1.00 22.01 C ATOM 468 NZ LYS A 28 6.660 10.252 -10.920 1.00 24.30 N ATOM 0 H LYS A 28 8.082 9.346 -4.947 1.00 52.14 H new ATOM 0 HA LYS A 28 9.586 11.593 -5.702 1.00 44.54 H new ATOM 0 HB2 LYS A 28 8.261 10.142 -7.226 1.00 70.43 H new ATOM 0 HB3 LYS A 28 6.775 10.731 -6.508 1.00 70.43 H new ATOM 0 HG2 LYS A 28 7.357 13.050 -7.288 1.00 22.13 H new ATOM 0 HG3 LYS A 28 8.786 12.403 -8.070 1.00 22.13 H new ATOM 0 HD2 LYS A 28 5.919 11.572 -8.694 1.00 34.31 H new ATOM 0 HD3 LYS A 28 6.875 12.689 -9.649 1.00 34.31 H new ATOM 0 HE2 LYS A 28 8.515 10.917 -10.148 1.00 22.01 H new ATOM 0 HE3 LYS A 28 7.658 9.794 -9.111 1.00 22.01 H new ATOM 0 HZ1 LYS A 28 7.094 9.453 -11.425 1.00 24.30 H new ATOM 0 HZ2 LYS A 28 5.724 9.970 -10.565 1.00 24.30 H new ATOM 0 HZ3 LYS A 28 6.555 11.057 -11.570 1.00 24.30 H new ATOM 482 N PHE A 29 7.064 12.271 -3.772 1.00 4.14 N ATOM 483 CA PHE A 29 6.394 13.311 -2.981 1.00 62.34 C ATOM 484 C PHE A 29 6.873 13.275 -1.516 1.00 42.43 C ATOM 485 O PHE A 29 7.891 12.660 -1.196 1.00 72.22 O ATOM 486 CB PHE A 29 4.873 13.103 -3.040 1.00 22.43 C ATOM 487 CG PHE A 29 4.321 13.011 -4.441 1.00 34.52 C ATOM 488 CD1 PHE A 29 3.974 14.155 -5.147 1.00 50.11 C ATOM 489 CD2 PHE A 29 4.148 11.774 -5.052 1.00 33.20 C ATOM 490 CE1 PHE A 29 3.465 14.067 -6.429 1.00 31.51 C ATOM 491 CE2 PHE A 29 3.641 11.682 -6.333 1.00 64.01 C ATOM 492 CZ PHE A 29 3.298 12.830 -7.023 1.00 10.51 C ATOM 0 H PHE A 29 6.822 11.320 -3.493 1.00 4.14 H new ATOM 0 HA PHE A 29 6.645 14.285 -3.400 1.00 62.34 H new ATOM 0 HB2 PHE A 29 4.620 12.191 -2.500 1.00 22.43 H new ATOM 0 HB3 PHE A 29 4.383 13.927 -2.521 1.00 22.43 H new ATOM 0 HD1 PHE A 29 4.103 15.125 -4.689 1.00 50.11 H new ATOM 0 HD2 PHE A 29 4.414 10.874 -4.518 1.00 33.20 H new ATOM 0 HE1 PHE A 29 3.198 14.965 -6.967 1.00 31.51 H new ATOM 0 HE2 PHE A 29 3.513 10.715 -6.795 1.00 64.01 H new ATOM 0 HZ PHE A 29 2.900 12.760 -8.025 1.00 10.51 H new ATOM 502 N ALA A 30 6.135 13.936 -0.625 1.00 42.33 N ATOM 503 CA ALA A 30 6.443 13.904 0.813 1.00 14.22 C ATOM 504 C ALA A 30 5.839 12.661 1.495 1.00 24.14 C ATOM 505 O ALA A 30 5.849 12.545 2.723 1.00 2.34 O ATOM 506 CB ALA A 30 5.936 15.178 1.482 1.00 53.22 C ATOM 0 H ALA A 30 5.321 14.500 -0.868 1.00 42.33 H new ATOM 0 HA ALA A 30 7.526 13.846 0.925 1.00 14.22 H new ATOM 0 HB1 ALA A 30 6.168 15.147 2.547 1.00 53.22 H new ATOM 0 HB2 ALA A 30 6.420 16.044 1.030 1.00 53.22 H new ATOM 0 HB3 ALA A 30 4.857 15.255 1.348 1.00 53.22 H new ATOM 512 N GLY A 31 5.330 11.731 0.682 1.00 71.44 N ATOM 513 CA GLY A 31 4.669 10.539 1.202 1.00 32.04 C ATOM 514 C GLY A 31 5.612 9.587 1.931 1.00 0.24 C ATOM 515 O GLY A 31 6.147 8.652 1.334 1.00 24.21 O ATOM 0 H GLY A 31 5.365 11.784 -0.336 1.00 71.44 H new ATOM 0 HA2 GLY A 31 3.874 10.842 1.883 1.00 32.04 H new ATOM 0 HA3 GLY A 31 4.196 10.007 0.377 1.00 32.04 H new ATOM 519 N THR A 32 5.809 9.823 3.225 1.00 5.21 N ATOM 520 CA THR A 32 6.662 8.959 4.047 1.00 71.53 C ATOM 521 C THR A 32 5.990 7.603 4.298 1.00 54.04 C ATOM 522 O THR A 32 4.935 7.529 4.930 1.00 34.45 O ATOM 523 CB THR A 32 6.994 9.627 5.403 1.00 33.33 C ATOM 524 OG1 THR A 32 7.621 10.901 5.179 1.00 23.21 O ATOM 525 CG2 THR A 32 7.914 8.752 6.251 1.00 0.33 C ATOM 0 H THR A 32 5.391 10.604 3.730 1.00 5.21 H new ATOM 0 HA THR A 32 7.589 8.801 3.495 1.00 71.53 H new ATOM 0 HB THR A 32 6.058 9.762 5.944 1.00 33.33 H new ATOM 0 HG1 THR A 32 7.827 11.320 6.041 1.00 23.21 H new ATOM 0 HG21 THR A 32 8.125 9.254 7.195 1.00 0.33 H new ATOM 0 HG22 THR A 32 7.427 7.797 6.449 1.00 0.33 H new ATOM 0 HG23 THR A 32 8.848 8.580 5.715 1.00 0.33 H new ATOM 533 N VAL A 33 6.611 6.534 3.809 1.00 12.11 N ATOM 534 CA VAL A 33 6.026 5.190 3.890 1.00 64.45 C ATOM 535 C VAL A 33 6.604 4.370 5.052 1.00 54.51 C ATOM 536 O VAL A 33 7.820 4.201 5.163 1.00 41.33 O ATOM 537 CB VAL A 33 6.248 4.408 2.567 1.00 24.33 C ATOM 538 CG1 VAL A 33 5.598 3.027 2.634 1.00 44.03 C ATOM 539 CG2 VAL A 33 5.721 5.202 1.375 1.00 45.30 C ATOM 0 H VAL A 33 7.522 6.568 3.351 1.00 12.11 H new ATOM 0 HA VAL A 33 4.959 5.332 4.065 1.00 64.45 H new ATOM 0 HB VAL A 33 7.320 4.267 2.432 1.00 24.33 H new ATOM 0 HG11 VAL A 33 5.768 2.499 1.696 1.00 44.03 H new ATOM 0 HG12 VAL A 33 6.036 2.458 3.454 1.00 44.03 H new ATOM 0 HG13 VAL A 33 4.526 3.137 2.800 1.00 44.03 H new ATOM 0 HG21 VAL A 33 5.887 4.636 0.459 1.00 45.30 H new ATOM 0 HG22 VAL A 33 4.654 5.383 1.502 1.00 45.30 H new ATOM 0 HG23 VAL A 33 6.246 6.155 1.312 1.00 45.30 H new ATOM 549 N THR A 34 5.722 3.864 5.914 1.00 53.35 N ATOM 550 CA THR A 34 6.119 2.949 6.995 1.00 54.03 C ATOM 551 C THR A 34 5.380 1.607 6.873 1.00 52.44 C ATOM 552 O THR A 34 4.185 1.573 6.576 1.00 31.31 O ATOM 553 CB THR A 34 5.860 3.554 8.398 1.00 74.22 C ATOM 554 OG1 THR A 34 6.252 2.619 9.418 1.00 43.25 O ATOM 555 CG2 THR A 34 4.393 3.933 8.586 1.00 22.34 C ATOM 0 H THR A 34 4.723 4.071 5.888 1.00 53.35 H new ATOM 0 HA THR A 34 7.192 2.786 6.889 1.00 54.03 H new ATOM 0 HB THR A 34 6.457 4.462 8.482 1.00 74.22 H new ATOM 0 HG1 THR A 34 6.087 3.010 10.301 1.00 43.25 H new ATOM 0 HG21 THR A 34 4.251 4.354 9.581 1.00 22.34 H new ATOM 0 HG22 THR A 34 4.109 4.671 7.836 1.00 22.34 H new ATOM 0 HG23 THR A 34 3.771 3.045 8.475 1.00 22.34 H new ATOM 563 N TYR A 35 6.088 0.502 7.101 1.00 75.05 N ATOM 564 CA TYR A 35 5.508 -0.835 6.914 1.00 45.14 C ATOM 565 C TYR A 35 5.823 -1.779 8.087 1.00 42.54 C ATOM 566 O TYR A 35 6.947 -1.814 8.593 1.00 72.04 O ATOM 567 CB TYR A 35 6.003 -1.447 5.594 1.00 3.50 C ATOM 568 CG TYR A 35 7.521 -1.521 5.475 1.00 33.45 C ATOM 569 CD1 TYR A 35 8.256 -0.425 5.030 1.00 14.22 C ATOM 570 CD2 TYR A 35 8.216 -2.683 5.804 1.00 23.23 C ATOM 571 CE1 TYR A 35 9.633 -0.485 4.918 1.00 13.43 C ATOM 572 CE2 TYR A 35 9.594 -2.747 5.694 1.00 34.12 C ATOM 573 CZ TYR A 35 10.297 -1.647 5.251 1.00 64.22 C ATOM 574 OH TYR A 35 11.670 -1.709 5.137 1.00 42.15 O ATOM 0 H TYR A 35 7.059 0.501 7.414 1.00 75.05 H new ATOM 0 HA TYR A 35 4.425 -0.715 6.878 1.00 45.14 H new ATOM 0 HB2 TYR A 35 5.592 -2.452 5.495 1.00 3.50 H new ATOM 0 HB3 TYR A 35 5.612 -0.859 4.764 1.00 3.50 H new ATOM 0 HD1 TYR A 35 7.742 0.488 4.768 1.00 14.22 H new ATOM 0 HD2 TYR A 35 7.670 -3.548 6.151 1.00 23.23 H new ATOM 0 HE1 TYR A 35 10.186 0.375 4.571 1.00 13.43 H new ATOM 0 HE2 TYR A 35 10.117 -3.655 5.954 1.00 34.12 H new ATOM 0 HH TYR A 35 11.981 -2.597 5.412 1.00 42.15 H new ATOM 584 N THR A 36 4.816 -2.540 8.517 1.00 42.13 N ATOM 585 CA THR A 36 4.987 -3.547 9.581 1.00 35.35 C ATOM 586 C THR A 36 4.538 -4.937 9.107 1.00 34.13 C ATOM 587 O THR A 36 3.529 -5.073 8.411 1.00 5.22 O ATOM 588 CB THR A 36 4.201 -3.172 10.866 1.00 21.13 C ATOM 589 OG1 THR A 36 2.816 -2.959 10.559 1.00 72.13 O ATOM 590 CG2 THR A 36 4.777 -1.923 11.525 1.00 51.44 C ATOM 0 H THR A 36 3.867 -2.482 8.147 1.00 42.13 H new ATOM 0 HA THR A 36 6.051 -3.569 9.816 1.00 35.35 H new ATOM 0 HB THR A 36 4.294 -4.004 11.565 1.00 21.13 H new ATOM 0 HG1 THR A 36 2.293 -3.734 10.852 1.00 72.13 H new ATOM 0 HG21 THR A 36 4.204 -1.688 12.422 1.00 51.44 H new ATOM 0 HG22 THR A 36 5.818 -2.101 11.796 1.00 51.44 H new ATOM 0 HG23 THR A 36 4.722 -1.086 10.829 1.00 51.44 H new ATOM 598 N LEU A 37 5.302 -5.968 9.470 1.00 41.32 N ATOM 599 CA LEU A 37 4.993 -7.348 9.065 1.00 3.20 C ATOM 600 C LEU A 37 4.481 -8.191 10.244 1.00 10.02 C ATOM 601 O LEU A 37 5.081 -8.208 11.322 1.00 22.01 O ATOM 602 CB LEU A 37 6.233 -8.028 8.450 1.00 42.52 C ATOM 603 CG LEU A 37 6.585 -7.623 7.005 1.00 5.34 C ATOM 604 CD1 LEU A 37 5.429 -7.938 6.061 1.00 51.50 C ATOM 605 CD2 LEU A 37 6.971 -6.149 6.919 1.00 14.22 C ATOM 0 H LEU A 37 6.140 -5.878 10.044 1.00 41.32 H new ATOM 0 HA LEU A 37 4.202 -7.288 8.318 1.00 3.20 H new ATOM 0 HB2 LEU A 37 7.092 -7.812 9.085 1.00 42.52 H new ATOM 0 HB3 LEU A 37 6.080 -9.107 8.476 1.00 42.52 H new ATOM 0 HG LEU A 37 7.450 -8.209 6.696 1.00 5.34 H new ATOM 0 HD11 LEU A 37 5.698 -7.645 5.046 1.00 51.50 H new ATOM 0 HD12 LEU A 37 5.220 -9.007 6.086 1.00 51.50 H new ATOM 0 HD13 LEU A 37 4.542 -7.387 6.375 1.00 51.50 H new ATOM 0 HD21 LEU A 37 7.213 -5.896 5.887 1.00 14.22 H new ATOM 0 HD22 LEU A 37 6.137 -5.534 7.257 1.00 14.22 H new ATOM 0 HD23 LEU A 37 7.839 -5.963 7.552 1.00 14.22 H new ATOM 617 N ASP A 38 3.375 -8.897 10.027 1.00 53.13 N ATOM 618 CA ASP A 38 2.839 -9.832 11.021 1.00 35.12 C ATOM 619 C ASP A 38 2.206 -11.052 10.330 1.00 11.21 C ATOM 620 O ASP A 38 1.278 -10.911 9.536 1.00 35.21 O ATOM 621 CB ASP A 38 1.816 -9.131 11.922 1.00 12.22 C ATOM 622 CG ASP A 38 1.253 -10.058 12.983 1.00 35.24 C ATOM 623 OD1 ASP A 38 1.968 -10.347 13.965 1.00 40.01 O ATOM 624 OD2 ASP A 38 0.103 -10.514 12.835 1.00 33.10 O ATOM 0 H ASP A 38 2.828 -8.841 9.168 1.00 53.13 H new ATOM 0 HA ASP A 38 3.663 -10.181 11.644 1.00 35.12 H new ATOM 0 HB2 ASP A 38 2.287 -8.274 12.404 1.00 12.22 H new ATOM 0 HB3 ASP A 38 1.001 -8.745 11.310 1.00 12.22 H new ATOM 629 N GLY A 39 2.730 -12.240 10.625 1.00 73.51 N ATOM 630 CA GLY A 39 2.220 -13.464 10.010 1.00 53.34 C ATOM 631 C GLY A 39 2.438 -13.508 8.500 1.00 15.43 C ATOM 632 O GLY A 39 3.434 -14.059 8.021 1.00 34.23 O ATOM 0 H GLY A 39 3.500 -12.381 11.279 1.00 73.51 H new ATOM 0 HA2 GLY A 39 2.708 -14.325 10.467 1.00 53.34 H new ATOM 0 HA3 GLY A 39 1.154 -13.553 10.220 1.00 53.34 H new ATOM 636 N ASN A 40 1.497 -12.940 7.752 1.00 4.23 N ATOM 637 CA ASN A 40 1.611 -12.835 6.293 1.00 55.31 C ATOM 638 C ASN A 40 0.989 -11.525 5.772 1.00 22.34 C ATOM 639 O ASN A 40 0.822 -11.336 4.563 1.00 11.23 O ATOM 640 CB ASN A 40 0.962 -14.056 5.620 1.00 31.14 C ATOM 641 CG ASN A 40 -0.495 -14.252 6.012 1.00 71.32 C ATOM 642 OD1 ASN A 40 -0.926 -13.856 7.087 1.00 4.41 O ATOM 643 ND2 ASN A 40 -1.261 -14.888 5.148 1.00 30.42 N ATOM 0 H ASN A 40 0.639 -12.541 8.132 1.00 4.23 H new ATOM 0 HA ASN A 40 2.670 -12.817 6.037 1.00 55.31 H new ATOM 0 HB2 ASN A 40 1.029 -13.944 4.538 1.00 31.14 H new ATOM 0 HB3 ASN A 40 1.526 -14.951 5.884 1.00 31.14 H new ATOM 0 HD21 ASN A 40 -2.242 -15.062 5.368 1.00 30.42 H new ATOM 0 HD22 ASN A 40 -0.873 -15.206 4.260 1.00 30.42 H new ATOM 650 N ASP A 41 0.664 -10.619 6.697 1.00 42.45 N ATOM 651 CA ASP A 41 0.098 -9.312 6.355 1.00 42.54 C ATOM 652 C ASP A 41 1.189 -8.227 6.276 1.00 72.21 C ATOM 653 O ASP A 41 1.927 -7.996 7.241 1.00 23.31 O ATOM 654 CB ASP A 41 -0.947 -8.895 7.399 1.00 41.51 C ATOM 655 CG ASP A 41 -2.024 -9.943 7.610 1.00 74.33 C ATOM 656 OD1 ASP A 41 -1.784 -10.895 8.376 1.00 2.32 O ATOM 657 OD2 ASP A 41 -3.123 -9.811 7.031 1.00 34.14 O ATOM 0 H ASP A 41 0.785 -10.769 7.699 1.00 42.45 H new ATOM 0 HA ASP A 41 -0.372 -9.407 5.376 1.00 42.54 H new ATOM 0 HB2 ASP A 41 -0.447 -8.699 8.348 1.00 41.51 H new ATOM 0 HB3 ASP A 41 -1.413 -7.961 7.086 1.00 41.51 H new ATOM 662 N LEU A 42 1.283 -7.574 5.122 1.00 50.12 N ATOM 663 CA LEU A 42 2.170 -6.422 4.938 1.00 52.51 C ATOM 664 C LEU A 42 1.394 -5.106 5.127 1.00 10.52 C ATOM 665 O LEU A 42 0.631 -4.686 4.255 1.00 63.41 O ATOM 666 CB LEU A 42 2.821 -6.467 3.543 1.00 65.40 C ATOM 667 CG LEU A 42 3.581 -5.196 3.118 1.00 60.30 C ATOM 668 CD1 LEU A 42 4.703 -4.865 4.103 1.00 35.31 C ATOM 669 CD2 LEU A 42 4.130 -5.349 1.700 1.00 64.33 C ATOM 0 H LEU A 42 0.750 -7.824 4.289 1.00 50.12 H new ATOM 0 HA LEU A 42 2.957 -6.467 5.691 1.00 52.51 H new ATOM 0 HB2 LEU A 42 3.513 -7.309 3.512 1.00 65.40 H new ATOM 0 HB3 LEU A 42 2.043 -6.666 2.806 1.00 65.40 H new ATOM 0 HG LEU A 42 2.877 -4.364 3.127 1.00 60.30 H new ATOM 0 HD11 LEU A 42 5.220 -3.963 3.776 1.00 35.31 H new ATOM 0 HD12 LEU A 42 4.280 -4.701 5.094 1.00 35.31 H new ATOM 0 HD13 LEU A 42 5.409 -5.694 4.142 1.00 35.31 H new ATOM 0 HD21 LEU A 42 4.664 -4.442 1.417 1.00 64.33 H new ATOM 0 HD22 LEU A 42 4.813 -6.198 1.664 1.00 64.33 H new ATOM 0 HD23 LEU A 42 3.306 -5.516 1.007 1.00 64.33 H new ATOM 681 N GLU A 43 1.588 -4.466 6.277 1.00 43.12 N ATOM 682 CA GLU A 43 0.871 -3.230 6.612 1.00 2.12 C ATOM 683 C GLU A 43 1.641 -1.987 6.138 1.00 1.15 C ATOM 684 O GLU A 43 2.634 -1.595 6.749 1.00 24.34 O ATOM 685 CB GLU A 43 0.648 -3.165 8.131 1.00 73.42 C ATOM 686 CG GLU A 43 -0.058 -4.395 8.696 1.00 75.52 C ATOM 687 CD GLU A 43 -0.150 -4.381 10.214 1.00 44.22 C ATOM 688 OE1 GLU A 43 -1.141 -3.848 10.750 1.00 14.54 O ATOM 689 OE2 GLU A 43 0.758 -4.926 10.878 1.00 74.53 O ATOM 0 H GLU A 43 2.237 -4.781 6.998 1.00 43.12 H new ATOM 0 HA GLU A 43 -0.090 -3.240 6.098 1.00 2.12 H new ATOM 0 HB2 GLU A 43 1.612 -3.049 8.627 1.00 73.42 H new ATOM 0 HB3 GLU A 43 0.060 -2.278 8.366 1.00 73.42 H new ATOM 0 HG2 GLU A 43 -1.062 -4.455 8.277 1.00 75.52 H new ATOM 0 HG3 GLU A 43 0.475 -5.291 8.378 1.00 75.52 H new ATOM 696 N ILE A 44 1.176 -1.375 5.052 1.00 11.55 N ATOM 697 CA ILE A 44 1.827 -0.188 4.477 1.00 12.35 C ATOM 698 C ILE A 44 1.031 1.093 4.781 1.00 61.13 C ATOM 699 O ILE A 44 -0.052 1.303 4.239 1.00 63.22 O ATOM 700 CB ILE A 44 1.970 -0.324 2.937 1.00 31.52 C ATOM 701 CG1 ILE A 44 2.688 -1.633 2.574 1.00 74.30 C ATOM 702 CG2 ILE A 44 2.714 0.877 2.352 1.00 31.22 C ATOM 703 CD1 ILE A 44 2.771 -1.894 1.083 1.00 23.03 C ATOM 0 H ILE A 44 0.345 -1.680 4.545 1.00 11.55 H new ATOM 0 HA ILE A 44 2.813 -0.118 4.935 1.00 12.35 H new ATOM 0 HB ILE A 44 0.970 -0.348 2.504 1.00 31.52 H new ATOM 0 HG12 ILE A 44 3.697 -1.609 2.986 1.00 74.30 H new ATOM 0 HG13 ILE A 44 2.169 -2.465 3.050 1.00 74.30 H new ATOM 0 HG21 ILE A 44 2.802 0.760 1.272 1.00 31.22 H new ATOM 0 HG22 ILE A 44 2.162 1.790 2.574 1.00 31.22 H new ATOM 0 HG23 ILE A 44 3.709 0.938 2.793 1.00 31.22 H new ATOM 0 HD11 ILE A 44 3.291 -2.836 0.907 1.00 23.03 H new ATOM 0 HD12 ILE A 44 1.765 -1.952 0.667 1.00 23.03 H new ATOM 0 HD13 ILE A 44 3.317 -1.083 0.601 1.00 23.03 H new ATOM 715 N ARG A 45 1.561 1.952 5.646 1.00 13.52 N ATOM 716 CA ARG A 45 0.911 3.234 5.931 1.00 55.22 C ATOM 717 C ARG A 45 1.739 4.412 5.397 1.00 75.42 C ATOM 718 O ARG A 45 2.857 4.660 5.851 1.00 52.11 O ATOM 719 CB ARG A 45 0.654 3.409 7.434 1.00 23.51 C ATOM 720 CG ARG A 45 -0.078 4.709 7.773 1.00 63.45 C ATOM 721 CD ARG A 45 -0.444 4.799 9.253 1.00 33.41 C ATOM 722 NE ARG A 45 -1.368 3.739 9.660 1.00 51.31 N ATOM 723 CZ ARG A 45 -1.930 3.669 10.835 1.00 24.31 C ATOM 724 NH1 ARG A 45 -1.766 4.609 11.706 1.00 75.21 N ATOM 725 NH2 ARG A 45 -2.692 2.668 11.125 1.00 33.55 N ATOM 0 H ARG A 45 2.428 1.790 6.158 1.00 13.52 H new ATOM 0 HA ARG A 45 -0.050 3.227 5.416 1.00 55.22 H new ATOM 0 HB2 ARG A 45 0.068 2.564 7.797 1.00 23.51 H new ATOM 0 HB3 ARG A 45 1.606 3.387 7.964 1.00 23.51 H new ATOM 0 HG2 ARG A 45 0.551 5.558 7.504 1.00 63.45 H new ATOM 0 HG3 ARG A 45 -0.984 4.780 7.172 1.00 63.45 H new ATOM 0 HD2 ARG A 45 0.463 4.738 9.854 1.00 33.41 H new ATOM 0 HD3 ARG A 45 -0.896 5.770 9.455 1.00 33.41 H new ATOM 0 HE ARG A 45 -1.586 3.009 8.982 1.00 51.31 H new ATOM 0 HH11 ARG A 45 -1.191 5.420 11.479 1.00 75.21 H new ATOM 0 HH12 ARG A 45 -2.212 4.540 12.621 1.00 75.21 H new ATOM 0 HH21 ARG A 45 -2.854 1.934 10.436 1.00 33.55 H new ATOM 0 HH22 ARG A 45 -3.132 2.611 12.043 1.00 33.55 H new ATOM 739 N ILE A 46 1.181 5.130 4.429 1.00 14.04 N ATOM 740 CA ILE A 46 1.840 6.302 3.853 1.00 61.32 C ATOM 741 C ILE A 46 1.394 7.583 4.580 1.00 54.05 C ATOM 742 O ILE A 46 0.213 7.758 4.881 1.00 50.44 O ATOM 743 CB ILE A 46 1.530 6.426 2.340 1.00 4.13 C ATOM 744 CG1 ILE A 46 1.824 5.093 1.623 1.00 22.52 C ATOM 745 CG2 ILE A 46 2.341 7.562 1.717 1.00 72.22 C ATOM 746 CD1 ILE A 46 1.487 5.099 0.145 1.00 13.42 C ATOM 0 H ILE A 46 0.269 4.921 4.023 1.00 14.04 H new ATOM 0 HA ILE A 46 2.915 6.175 3.979 1.00 61.32 H new ATOM 0 HB ILE A 46 0.472 6.657 2.221 1.00 4.13 H new ATOM 0 HG12 ILE A 46 2.881 4.853 1.743 1.00 22.52 H new ATOM 0 HG13 ILE A 46 1.259 4.298 2.110 1.00 22.52 H new ATOM 0 HG21 ILE A 46 2.110 7.634 0.654 1.00 72.22 H new ATOM 0 HG22 ILE A 46 2.087 8.502 2.208 1.00 72.22 H new ATOM 0 HG23 ILE A 46 3.405 7.362 1.844 1.00 72.22 H new ATOM 0 HD11 ILE A 46 1.723 4.126 -0.286 1.00 13.42 H new ATOM 0 HD12 ILE A 46 0.425 5.306 0.015 1.00 13.42 H new ATOM 0 HD13 ILE A 46 2.071 5.870 -0.358 1.00 13.42 H new ATOM 758 N THR A 47 2.339 8.472 4.871 1.00 34.31 N ATOM 759 CA THR A 47 2.048 9.687 5.644 1.00 33.24 C ATOM 760 C THR A 47 2.496 10.957 4.904 1.00 1.42 C ATOM 761 O THR A 47 3.657 11.081 4.515 1.00 2.34 O ATOM 762 CB THR A 47 2.749 9.643 7.030 1.00 21.44 C ATOM 763 OG1 THR A 47 2.375 8.444 7.736 1.00 41.52 O ATOM 764 CG2 THR A 47 2.389 10.863 7.877 1.00 62.44 C ATOM 0 H THR A 47 3.314 8.379 4.586 1.00 34.31 H new ATOM 0 HA THR A 47 0.967 9.720 5.777 1.00 33.24 H new ATOM 0 HB THR A 47 3.825 9.649 6.857 1.00 21.44 H new ATOM 0 HG1 THR A 47 2.823 8.424 8.607 1.00 41.52 H new ATOM 0 HG21 THR A 47 2.896 10.800 8.840 1.00 62.44 H new ATOM 0 HG22 THR A 47 2.702 11.770 7.360 1.00 62.44 H new ATOM 0 HG23 THR A 47 1.311 10.890 8.036 1.00 62.44 H new ATOM 772 N GLY A 48 1.566 11.897 4.714 1.00 23.01 N ATOM 773 CA GLY A 48 1.897 13.183 4.095 1.00 71.12 C ATOM 774 C GLY A 48 1.846 13.173 2.563 1.00 55.30 C ATOM 775 O GLY A 48 2.838 13.470 1.900 1.00 72.50 O ATOM 0 H GLY A 48 0.586 11.793 4.977 1.00 23.01 H new ATOM 0 HA2 GLY A 48 1.207 13.941 4.466 1.00 71.12 H new ATOM 0 HA3 GLY A 48 2.897 13.480 4.412 1.00 71.12 H new ATOM 779 N VAL A 49 0.684 12.845 1.997 1.00 31.50 N ATOM 780 CA VAL A 49 0.507 12.834 0.534 1.00 54.42 C ATOM 781 C VAL A 49 -0.542 13.861 0.075 1.00 11.11 C ATOM 782 O VAL A 49 -1.529 14.107 0.771 1.00 74.01 O ATOM 783 CB VAL A 49 0.087 11.431 0.021 1.00 2.24 C ATOM 784 CG1 VAL A 49 1.226 10.433 0.191 1.00 25.54 C ATOM 785 CG2 VAL A 49 -1.177 10.940 0.731 1.00 24.52 C ATOM 0 H VAL A 49 -0.150 12.583 2.523 1.00 31.50 H new ATOM 0 HA VAL A 49 1.476 13.100 0.111 1.00 54.42 H new ATOM 0 HB VAL A 49 -0.139 11.515 -1.042 1.00 2.24 H new ATOM 0 HG11 VAL A 49 0.911 9.456 -0.175 1.00 25.54 H new ATOM 0 HG12 VAL A 49 2.093 10.771 -0.376 1.00 25.54 H new ATOM 0 HG13 VAL A 49 1.490 10.358 1.246 1.00 25.54 H new ATOM 0 HG21 VAL A 49 -1.448 9.955 0.352 1.00 24.52 H new ATOM 0 HG22 VAL A 49 -0.991 10.877 1.803 1.00 24.52 H new ATOM 0 HG23 VAL A 49 -1.993 11.638 0.544 1.00 24.52 H new ATOM 795 N PRO A 50 -0.336 14.491 -1.102 1.00 32.24 N ATOM 796 CA PRO A 50 -1.342 15.382 -1.708 1.00 51.30 C ATOM 797 C PRO A 50 -2.647 14.629 -2.030 1.00 45.22 C ATOM 798 O PRO A 50 -2.624 13.565 -2.660 1.00 51.04 O ATOM 799 CB PRO A 50 -0.660 15.886 -2.993 1.00 24.12 C ATOM 800 CG PRO A 50 0.438 14.909 -3.262 1.00 71.12 C ATOM 801 CD PRO A 50 0.888 14.406 -1.919 1.00 50.23 C ATOM 0 HA PRO A 50 -1.636 16.191 -1.040 1.00 51.30 H new ATOM 0 HB2 PRO A 50 -1.365 15.925 -3.824 1.00 24.12 H new ATOM 0 HB3 PRO A 50 -0.267 16.894 -2.861 1.00 24.12 H new ATOM 0 HG2 PRO A 50 0.085 14.089 -3.887 1.00 71.12 H new ATOM 0 HG3 PRO A 50 1.261 15.385 -3.795 1.00 71.12 H new ATOM 0 HD2 PRO A 50 1.264 13.384 -1.977 1.00 50.23 H new ATOM 0 HD3 PRO A 50 1.690 15.018 -1.508 1.00 50.23 H new ATOM 809 N GLU A 51 -3.780 15.193 -1.613 1.00 72.35 N ATOM 810 CA GLU A 51 -5.071 14.491 -1.675 1.00 33.10 C ATOM 811 C GLU A 51 -5.449 14.020 -3.096 1.00 21.14 C ATOM 812 O GLU A 51 -6.151 13.018 -3.249 1.00 0.01 O ATOM 813 CB GLU A 51 -6.185 15.363 -1.078 1.00 72.03 C ATOM 814 CG GLU A 51 -6.342 16.732 -1.733 1.00 14.14 C ATOM 815 CD GLU A 51 -7.444 17.557 -1.086 1.00 54.04 C ATOM 816 OE1 GLU A 51 -8.612 17.438 -1.513 1.00 61.50 O ATOM 817 OE2 GLU A 51 -7.151 18.306 -0.127 1.00 43.14 O ATOM 0 H GLU A 51 -3.835 16.136 -1.227 1.00 72.35 H new ATOM 0 HA GLU A 51 -4.958 13.587 -1.077 1.00 33.10 H new ATOM 0 HB2 GLU A 51 -7.130 14.826 -1.158 1.00 72.03 H new ATOM 0 HB3 GLU A 51 -5.987 15.504 -0.015 1.00 72.03 H new ATOM 0 HG2 GLU A 51 -5.399 17.274 -1.667 1.00 14.14 H new ATOM 0 HG3 GLU A 51 -6.562 16.603 -2.793 1.00 14.14 H new ATOM 824 N GLN A 52 -4.983 14.722 -4.129 1.00 1.12 N ATOM 825 CA GLN A 52 -5.242 14.298 -5.514 1.00 22.21 C ATOM 826 C GLN A 52 -4.496 12.988 -5.848 1.00 2.03 C ATOM 827 O GLN A 52 -5.022 12.123 -6.544 1.00 1.22 O ATOM 828 CB GLN A 52 -4.848 15.394 -6.517 1.00 50.13 C ATOM 829 CG GLN A 52 -3.351 15.691 -6.567 1.00 60.43 C ATOM 830 CD GLN A 52 -2.997 16.764 -7.580 1.00 30.45 C ATOM 831 OE1 GLN A 52 -3.786 17.662 -7.857 1.00 73.45 O ATOM 832 NE2 GLN A 52 -1.813 16.674 -8.146 1.00 4.11 N ATOM 0 H GLN A 52 -4.431 15.575 -4.041 1.00 1.12 H new ATOM 0 HA GLN A 52 -6.314 14.119 -5.599 1.00 22.21 H new ATOM 0 HB2 GLN A 52 -5.181 15.097 -7.511 1.00 50.13 H new ATOM 0 HB3 GLN A 52 -5.380 16.311 -6.263 1.00 50.13 H new ATOM 0 HG2 GLN A 52 -3.015 16.006 -5.579 1.00 60.43 H new ATOM 0 HG3 GLN A 52 -2.812 14.776 -6.811 1.00 60.43 H new ATOM 0 HE21 GLN A 52 -1.182 15.914 -7.891 1.00 4.11 H new ATOM 0 HE22 GLN A 52 -1.525 17.364 -8.839 1.00 4.11 H new ATOM 841 N VAL A 53 -3.273 12.849 -5.335 1.00 25.34 N ATOM 842 CA VAL A 53 -2.462 11.643 -5.572 1.00 64.30 C ATOM 843 C VAL A 53 -2.935 10.480 -4.682 1.00 50.14 C ATOM 844 O VAL A 53 -2.784 9.307 -5.032 1.00 0.40 O ATOM 845 CB VAL A 53 -0.957 11.928 -5.318 1.00 1.43 C ATOM 846 CG1 VAL A 53 -0.102 10.684 -5.566 1.00 52.21 C ATOM 847 CG2 VAL A 53 -0.482 13.092 -6.186 1.00 11.11 C ATOM 0 H VAL A 53 -2.818 13.553 -4.753 1.00 25.34 H new ATOM 0 HA VAL A 53 -2.591 11.358 -6.616 1.00 64.30 H new ATOM 0 HB VAL A 53 -0.840 12.203 -4.270 1.00 1.43 H new ATOM 0 HG11 VAL A 53 0.946 10.919 -5.379 1.00 52.21 H new ATOM 0 HG12 VAL A 53 -0.420 9.885 -4.896 1.00 52.21 H new ATOM 0 HG13 VAL A 53 -0.222 10.360 -6.600 1.00 52.21 H new ATOM 0 HG21 VAL A 53 0.575 13.280 -5.996 1.00 11.11 H new ATOM 0 HG22 VAL A 53 -0.623 12.843 -7.238 1.00 11.11 H new ATOM 0 HG23 VAL A 53 -1.058 13.985 -5.944 1.00 11.11 H new ATOM 857 N ARG A 54 -3.518 10.829 -3.534 1.00 71.33 N ATOM 858 CA ARG A 54 -4.103 9.851 -2.604 1.00 33.12 C ATOM 859 C ARG A 54 -5.032 8.861 -3.335 1.00 64.53 C ATOM 860 O ARG A 54 -5.057 7.667 -3.027 1.00 35.31 O ATOM 861 CB ARG A 54 -4.887 10.600 -1.515 1.00 63.52 C ATOM 862 CG ARG A 54 -5.526 9.708 -0.455 1.00 22.33 C ATOM 863 CD ARG A 54 -6.375 10.529 0.514 1.00 43.33 C ATOM 864 NE ARG A 54 -7.480 11.206 -0.166 1.00 10.23 N ATOM 865 CZ ARG A 54 -7.913 12.402 0.127 1.00 53.54 C ATOM 866 NH1 ARG A 54 -7.398 13.081 1.104 1.00 52.13 N ATOM 867 NH2 ARG A 54 -8.886 12.913 -0.553 1.00 2.45 N ATOM 0 H ARG A 54 -3.600 11.796 -3.219 1.00 71.33 H new ATOM 0 HA ARG A 54 -3.295 9.274 -2.154 1.00 33.12 H new ATOM 0 HB2 ARG A 54 -4.215 11.302 -1.021 1.00 63.52 H new ATOM 0 HB3 ARG A 54 -5.669 11.190 -1.992 1.00 63.52 H new ATOM 0 HG2 ARG A 54 -6.146 8.952 -0.937 1.00 22.33 H new ATOM 0 HG3 ARG A 54 -4.749 9.178 0.096 1.00 22.33 H new ATOM 0 HD2 ARG A 54 -6.773 9.876 1.291 1.00 43.33 H new ATOM 0 HD3 ARG A 54 -5.747 11.269 1.010 1.00 43.33 H new ATOM 0 HE ARG A 54 -7.946 10.707 -0.924 1.00 10.23 H new ATOM 0 HH11 ARG A 54 -6.641 12.682 1.659 1.00 52.13 H new ATOM 0 HH12 ARG A 54 -7.750 14.014 1.318 1.00 52.13 H new ATOM 0 HH21 ARG A 54 -9.311 12.382 -1.313 1.00 2.45 H new ATOM 0 HH22 ARG A 54 -9.229 13.847 -0.329 1.00 2.45 H new ATOM 881 N LYS A 55 -5.788 9.372 -4.305 1.00 42.43 N ATOM 882 CA LYS A 55 -6.674 8.538 -5.130 1.00 74.40 C ATOM 883 C LYS A 55 -5.889 7.461 -5.901 1.00 31.05 C ATOM 884 O LYS A 55 -6.247 6.279 -5.885 1.00 54.24 O ATOM 885 CB LYS A 55 -7.435 9.417 -6.131 1.00 20.23 C ATOM 886 CG LYS A 55 -8.401 10.414 -5.498 1.00 43.23 C ATOM 887 CD LYS A 55 -9.576 9.715 -4.822 1.00 41.53 C ATOM 888 CE LYS A 55 -10.637 10.711 -4.368 1.00 3.53 C ATOM 889 NZ LYS A 55 -11.200 11.484 -5.508 1.00 61.03 N ATOM 0 H LYS A 55 -5.808 10.364 -4.543 1.00 42.43 H new ATOM 0 HA LYS A 55 -7.373 8.038 -4.459 1.00 74.40 H new ATOM 0 HB2 LYS A 55 -6.712 9.966 -6.735 1.00 20.23 H new ATOM 0 HB3 LYS A 55 -7.993 8.772 -6.810 1.00 20.23 H new ATOM 0 HG2 LYS A 55 -7.869 11.020 -4.765 1.00 43.23 H new ATOM 0 HG3 LYS A 55 -8.775 11.094 -6.264 1.00 43.23 H new ATOM 0 HD2 LYS A 55 -10.021 8.999 -5.513 1.00 41.53 H new ATOM 0 HD3 LYS A 55 -9.217 9.148 -3.963 1.00 41.53 H new ATOM 0 HE2 LYS A 55 -11.440 10.178 -3.859 1.00 3.53 H new ATOM 0 HE3 LYS A 55 -10.202 11.399 -3.643 1.00 3.53 H new ATOM 0 HZ1 LYS A 55 -12.119 11.887 -5.234 1.00 61.03 H new ATOM 0 HZ2 LYS A 55 -10.547 12.253 -5.762 1.00 61.03 H new ATOM 0 HZ3 LYS A 55 -11.328 10.854 -6.325 1.00 61.03 H new ATOM 903 N GLU A 56 -4.816 7.884 -6.570 1.00 24.20 N ATOM 904 CA GLU A 56 -4.014 6.987 -7.413 1.00 3.41 C ATOM 905 C GLU A 56 -3.280 5.921 -6.593 1.00 42.00 C ATOM 906 O GLU A 56 -3.219 4.763 -6.995 1.00 42.35 O ATOM 907 CB GLU A 56 -3.006 7.793 -8.246 1.00 12.43 C ATOM 908 CG GLU A 56 -3.655 8.722 -9.264 1.00 41.10 C ATOM 909 CD GLU A 56 -4.580 7.979 -10.215 1.00 64.30 C ATOM 910 OE1 GLU A 56 -4.081 7.186 -11.041 1.00 62.03 O ATOM 911 OE2 GLU A 56 -5.809 8.176 -10.142 1.00 61.24 O ATOM 0 H GLU A 56 -4.478 8.846 -6.546 1.00 24.20 H new ATOM 0 HA GLU A 56 -4.706 6.471 -8.078 1.00 3.41 H new ATOM 0 HB2 GLU A 56 -2.383 8.383 -7.574 1.00 12.43 H new ATOM 0 HB3 GLU A 56 -2.345 7.102 -8.768 1.00 12.43 H new ATOM 0 HG2 GLU A 56 -4.219 9.494 -8.740 1.00 41.10 H new ATOM 0 HG3 GLU A 56 -2.879 9.228 -9.837 1.00 41.10 H new ATOM 918 N LEU A 57 -2.723 6.313 -5.450 1.00 20.33 N ATOM 919 CA LEU A 57 -2.011 5.368 -4.578 1.00 1.15 C ATOM 920 C LEU A 57 -2.947 4.251 -4.081 1.00 63.10 C ATOM 921 O LEU A 57 -2.577 3.076 -4.067 1.00 0.24 O ATOM 922 CB LEU A 57 -1.378 6.109 -3.392 1.00 52.32 C ATOM 923 CG LEU A 57 -0.322 7.167 -3.762 1.00 22.25 C ATOM 924 CD1 LEU A 57 0.218 7.858 -2.512 1.00 3.33 C ATOM 925 CD2 LEU A 57 0.816 6.541 -4.569 1.00 60.53 C ATOM 0 H LEU A 57 -2.748 7.272 -5.103 1.00 20.33 H new ATOM 0 HA LEU A 57 -1.219 4.902 -5.163 1.00 1.15 H new ATOM 0 HB2 LEU A 57 -2.171 6.595 -2.824 1.00 52.32 H new ATOM 0 HB3 LEU A 57 -0.916 5.375 -2.731 1.00 52.32 H new ATOM 0 HG LEU A 57 -0.805 7.921 -4.384 1.00 22.25 H new ATOM 0 HD11 LEU A 57 0.962 8.601 -2.800 1.00 3.33 H new ATOM 0 HD12 LEU A 57 -0.600 8.349 -1.986 1.00 3.33 H new ATOM 0 HD13 LEU A 57 0.678 7.118 -1.857 1.00 3.33 H new ATOM 0 HD21 LEU A 57 1.550 7.308 -4.819 1.00 60.53 H new ATOM 0 HD22 LEU A 57 1.294 5.760 -3.978 1.00 60.53 H new ATOM 0 HD23 LEU A 57 0.417 6.109 -5.486 1.00 60.53 H new ATOM 937 N ALA A 58 -4.166 4.622 -3.686 1.00 24.04 N ATOM 938 CA ALA A 58 -5.176 3.638 -3.272 1.00 11.04 C ATOM 939 C ALA A 58 -5.573 2.725 -4.443 1.00 72.44 C ATOM 940 O ALA A 58 -5.685 1.509 -4.294 1.00 50.33 O ATOM 941 CB ALA A 58 -6.406 4.345 -2.712 1.00 64.20 C ATOM 0 H ALA A 58 -4.480 5.592 -3.643 1.00 24.04 H new ATOM 0 HA ALA A 58 -4.740 3.015 -2.491 1.00 11.04 H new ATOM 0 HB1 ALA A 58 -7.146 3.604 -2.409 1.00 64.20 H new ATOM 0 HB2 ALA A 58 -6.119 4.945 -1.848 1.00 64.20 H new ATOM 0 HB3 ALA A 58 -6.834 4.993 -3.478 1.00 64.20 H new ATOM 947 N LYS A 59 -5.765 3.330 -5.609 1.00 2.32 N ATOM 948 CA LYS A 59 -6.131 2.596 -6.825 1.00 44.43 C ATOM 949 C LYS A 59 -4.977 1.693 -7.311 1.00 13.41 C ATOM 950 O LYS A 59 -5.206 0.624 -7.883 1.00 31.53 O ATOM 951 CB LYS A 59 -6.557 3.598 -7.912 1.00 64.33 C ATOM 952 CG LYS A 59 -6.916 2.971 -9.259 1.00 5.34 C ATOM 953 CD LYS A 59 -7.912 3.832 -10.043 1.00 52.34 C ATOM 954 CE LYS A 59 -7.461 5.288 -10.167 1.00 51.24 C ATOM 955 NZ LYS A 59 -6.231 5.434 -10.988 1.00 25.21 N ATOM 0 H LYS A 59 -5.673 4.337 -5.743 1.00 2.32 H new ATOM 0 HA LYS A 59 -6.969 1.936 -6.601 1.00 44.43 H new ATOM 0 HB2 LYS A 59 -7.416 4.162 -7.549 1.00 64.33 H new ATOM 0 HB3 LYS A 59 -5.748 4.313 -8.064 1.00 64.33 H new ATOM 0 HG2 LYS A 59 -6.010 2.836 -9.849 1.00 5.34 H new ATOM 0 HG3 LYS A 59 -7.341 1.981 -9.097 1.00 5.34 H new ATOM 0 HD2 LYS A 59 -8.045 3.411 -11.039 1.00 52.34 H new ATOM 0 HD3 LYS A 59 -8.883 3.797 -9.550 1.00 52.34 H new ATOM 0 HE2 LYS A 59 -8.263 5.877 -10.612 1.00 51.24 H new ATOM 0 HE3 LYS A 59 -7.281 5.695 -9.172 1.00 51.24 H new ATOM 0 HZ1 LYS A 59 -6.285 6.313 -11.541 1.00 25.21 H new ATOM 0 HZ2 LYS A 59 -5.399 5.468 -10.364 1.00 25.21 H new ATOM 0 HZ3 LYS A 59 -6.146 4.623 -11.634 1.00 25.21 H new ATOM 969 N GLU A 60 -3.738 2.118 -7.062 1.00 31.15 N ATOM 970 CA GLU A 60 -2.562 1.305 -7.391 1.00 0.13 C ATOM 971 C GLU A 60 -2.467 0.094 -6.448 1.00 41.51 C ATOM 972 O GLU A 60 -2.022 -0.985 -6.844 1.00 54.02 O ATOM 973 CB GLU A 60 -1.280 2.153 -7.322 1.00 31.22 C ATOM 974 CG GLU A 60 -0.004 1.381 -7.653 1.00 3.44 C ATOM 975 CD GLU A 60 1.214 2.283 -7.813 1.00 31.41 C ATOM 976 OE1 GLU A 60 1.792 2.706 -6.796 1.00 5.44 O ATOM 977 OE2 GLU A 60 1.594 2.575 -8.972 1.00 63.42 O ATOM 0 H GLU A 60 -3.521 3.018 -6.635 1.00 31.15 H new ATOM 0 HA GLU A 60 -2.670 0.937 -8.411 1.00 0.13 H new ATOM 0 HB2 GLU A 60 -1.374 2.991 -8.012 1.00 31.22 H new ATOM 0 HB3 GLU A 60 -1.188 2.573 -6.320 1.00 31.22 H new ATOM 0 HG2 GLU A 60 0.190 0.655 -6.863 1.00 3.44 H new ATOM 0 HG3 GLU A 60 -0.155 0.818 -8.574 1.00 3.44 H new ATOM 984 N ALA A 61 -2.899 0.277 -5.200 1.00 15.12 N ATOM 985 CA ALA A 61 -2.998 -0.835 -4.247 1.00 34.14 C ATOM 986 C ALA A 61 -3.940 -1.928 -4.775 1.00 40.22 C ATOM 987 O ALA A 61 -3.634 -3.122 -4.706 1.00 4.51 O ATOM 988 CB ALA A 61 -3.475 -0.330 -2.891 1.00 52.02 C ATOM 0 H ALA A 61 -3.186 1.181 -4.824 1.00 15.12 H new ATOM 0 HA ALA A 61 -2.006 -1.271 -4.128 1.00 34.14 H new ATOM 0 HB1 ALA A 61 -3.544 -1.166 -2.195 1.00 52.02 H new ATOM 0 HB2 ALA A 61 -2.767 0.405 -2.507 1.00 52.02 H new ATOM 0 HB3 ALA A 61 -4.456 0.133 -3.000 1.00 52.02 H new ATOM 994 N GLU A 62 -5.086 -1.506 -5.310 1.00 71.13 N ATOM 995 CA GLU A 62 -6.032 -2.428 -5.951 1.00 54.25 C ATOM 996 C GLU A 62 -5.365 -3.148 -7.136 1.00 51.41 C ATOM 997 O GLU A 62 -5.540 -4.353 -7.336 1.00 3.31 O ATOM 998 CB GLU A 62 -7.271 -1.663 -6.442 1.00 55.51 C ATOM 999 CG GLU A 62 -7.957 -0.830 -5.362 1.00 54.21 C ATOM 1000 CD GLU A 62 -9.187 -0.097 -5.881 1.00 44.10 C ATOM 1001 OE1 GLU A 62 -9.032 0.895 -6.625 1.00 22.31 O ATOM 1002 OE2 GLU A 62 -10.317 -0.509 -5.546 1.00 62.14 O ATOM 0 H GLU A 62 -5.385 -0.531 -5.314 1.00 71.13 H new ATOM 0 HA GLU A 62 -6.338 -3.170 -5.214 1.00 54.25 H new ATOM 0 HB2 GLU A 62 -6.978 -1.006 -7.261 1.00 55.51 H new ATOM 0 HB3 GLU A 62 -7.989 -2.377 -6.846 1.00 55.51 H new ATOM 0 HG2 GLU A 62 -8.247 -1.480 -4.537 1.00 54.21 H new ATOM 0 HG3 GLU A 62 -7.248 -0.105 -4.963 1.00 54.21 H new ATOM 1009 N ARG A 63 -4.590 -2.390 -7.913 1.00 63.24 N ATOM 1010 CA ARG A 63 -3.819 -2.932 -9.040 1.00 54.25 C ATOM 1011 C ARG A 63 -2.868 -4.050 -8.574 1.00 65.33 C ATOM 1012 O ARG A 63 -2.823 -5.130 -9.165 1.00 1.42 O ATOM 1013 CB ARG A 63 -3.016 -1.801 -9.694 1.00 24.02 C ATOM 1014 CG ARG A 63 -2.220 -2.212 -10.929 1.00 72.54 C ATOM 1015 CD ARG A 63 -1.402 -1.041 -11.467 1.00 11.44 C ATOM 1016 NE ARG A 63 -2.231 0.150 -11.664 1.00 3.21 N ATOM 1017 CZ ARG A 63 -1.804 1.380 -11.559 1.00 61.12 C ATOM 1018 NH1 ARG A 63 -0.559 1.634 -11.304 1.00 0.13 N ATOM 1019 NH2 ARG A 63 -2.633 2.359 -11.720 1.00 75.45 N ATOM 0 H ARG A 63 -4.477 -1.385 -7.782 1.00 63.24 H new ATOM 0 HA ARG A 63 -4.513 -3.360 -9.764 1.00 54.25 H new ATOM 0 HB2 ARG A 63 -3.702 -1.001 -9.971 1.00 24.02 H new ATOM 0 HB3 ARG A 63 -2.328 -1.389 -8.956 1.00 24.02 H new ATOM 0 HG2 ARG A 63 -1.556 -3.040 -10.679 1.00 72.54 H new ATOM 0 HG3 ARG A 63 -2.900 -2.571 -11.702 1.00 72.54 H new ATOM 0 HD2 ARG A 63 -0.594 -0.812 -10.773 1.00 11.44 H new ATOM 0 HD3 ARG A 63 -0.939 -1.324 -12.413 1.00 11.44 H new ATOM 0 HE ARG A 63 -3.213 0.009 -11.900 1.00 3.21 H new ATOM 0 HH11 ARG A 63 0.103 0.868 -11.182 1.00 0.13 H new ATOM 0 HH12 ARG A 63 -0.241 2.600 -11.225 1.00 0.13 H new ATOM 0 HH21 ARG A 63 -3.613 2.168 -11.928 1.00 75.45 H new ATOM 0 HH22 ARG A 63 -2.307 3.322 -11.639 1.00 75.45 H new ATOM 1033 N LEU A 64 -2.112 -3.774 -7.510 1.00 22.03 N ATOM 1034 CA LEU A 64 -1.192 -4.758 -6.927 1.00 54.21 C ATOM 1035 C LEU A 64 -1.937 -6.030 -6.485 1.00 32.44 C ATOM 1036 O LEU A 64 -1.453 -7.149 -6.675 1.00 43.12 O ATOM 1037 CB LEU A 64 -0.449 -4.139 -5.734 1.00 13.23 C ATOM 1038 CG LEU A 64 0.448 -2.935 -6.068 1.00 74.22 C ATOM 1039 CD1 LEU A 64 1.040 -2.337 -4.797 1.00 61.13 C ATOM 1040 CD2 LEU A 64 1.558 -3.345 -7.030 1.00 50.44 C ATOM 0 H LEU A 64 -2.118 -2.873 -7.031 1.00 22.03 H new ATOM 0 HA LEU A 64 -0.471 -5.042 -7.694 1.00 54.21 H new ATOM 0 HB2 LEU A 64 -1.184 -3.828 -4.992 1.00 13.23 H new ATOM 0 HB3 LEU A 64 0.165 -4.911 -5.270 1.00 13.23 H new ATOM 0 HG LEU A 64 -0.166 -2.176 -6.552 1.00 74.22 H new ATOM 0 HD11 LEU A 64 1.671 -1.487 -5.055 1.00 61.13 H new ATOM 0 HD12 LEU A 64 0.235 -2.006 -4.141 1.00 61.13 H new ATOM 0 HD13 LEU A 64 1.638 -3.091 -4.285 1.00 61.13 H new ATOM 0 HD21 LEU A 64 2.182 -2.480 -7.255 1.00 50.44 H new ATOM 0 HD22 LEU A 64 2.168 -4.123 -6.571 1.00 50.44 H new ATOM 0 HD23 LEU A 64 1.118 -3.725 -7.952 1.00 50.44 H new ATOM 1052 N ALA A 65 -3.120 -5.846 -5.905 1.00 1.22 N ATOM 1053 CA ALA A 65 -3.972 -6.971 -5.513 1.00 64.22 C ATOM 1054 C ALA A 65 -4.317 -7.856 -6.720 1.00 44.33 C ATOM 1055 O ALA A 65 -4.169 -9.075 -6.665 1.00 54.24 O ATOM 1056 CB ALA A 65 -5.245 -6.463 -4.852 1.00 23.13 C ATOM 0 H ALA A 65 -3.513 -4.929 -5.695 1.00 1.22 H new ATOM 0 HA ALA A 65 -3.418 -7.579 -4.798 1.00 64.22 H new ATOM 0 HB1 ALA A 65 -5.869 -7.310 -4.566 1.00 23.13 H new ATOM 0 HB2 ALA A 65 -4.988 -5.885 -3.964 1.00 23.13 H new ATOM 0 HB3 ALA A 65 -5.791 -5.830 -5.552 1.00 23.13 H new ATOM 1062 N LYS A 66 -4.764 -7.230 -7.812 1.00 42.31 N ATOM 1063 CA LYS A 66 -5.107 -7.958 -9.042 1.00 14.14 C ATOM 1064 C LYS A 66 -3.865 -8.617 -9.665 1.00 0.24 C ATOM 1065 O LYS A 66 -3.949 -9.696 -10.256 1.00 2.43 O ATOM 1066 CB LYS A 66 -5.759 -7.011 -10.062 1.00 51.22 C ATOM 1067 CG LYS A 66 -6.991 -6.284 -9.528 1.00 72.14 C ATOM 1068 CD LYS A 66 -8.073 -7.252 -9.061 1.00 62.35 C ATOM 1069 CE LYS A 66 -9.294 -6.512 -8.529 1.00 71.42 C ATOM 1070 NZ LYS A 66 -10.346 -7.445 -8.053 1.00 71.41 N ATOM 0 H LYS A 66 -4.898 -6.221 -7.872 1.00 42.31 H new ATOM 0 HA LYS A 66 -5.815 -8.742 -8.776 1.00 14.14 H new ATOM 0 HB2 LYS A 66 -5.023 -6.273 -10.381 1.00 51.22 H new ATOM 0 HB3 LYS A 66 -6.041 -7.583 -10.946 1.00 51.22 H new ATOM 0 HG2 LYS A 66 -6.700 -5.640 -8.699 1.00 72.14 H new ATOM 0 HG3 LYS A 66 -7.396 -5.638 -10.307 1.00 72.14 H new ATOM 0 HD2 LYS A 66 -8.369 -7.895 -9.890 1.00 62.35 H new ATOM 0 HD3 LYS A 66 -7.671 -7.900 -8.282 1.00 62.35 H new ATOM 0 HE2 LYS A 66 -8.993 -5.857 -7.711 1.00 71.42 H new ATOM 0 HE3 LYS A 66 -9.702 -5.875 -9.314 1.00 71.42 H new ATOM 0 HZ1 LYS A 66 -11.159 -6.901 -7.700 1.00 71.41 H new ATOM 0 HZ2 LYS A 66 -10.652 -8.053 -8.839 1.00 71.41 H new ATOM 0 HZ3 LYS A 66 -9.965 -8.036 -7.286 1.00 71.41 H new ATOM 1084 N GLU A 67 -2.717 -7.957 -9.525 1.00 33.32 N ATOM 1085 CA GLU A 67 -1.445 -8.475 -10.039 1.00 21.13 C ATOM 1086 C GLU A 67 -1.063 -9.804 -9.363 1.00 60.22 C ATOM 1087 O GLU A 67 -0.835 -10.814 -10.032 1.00 73.32 O ATOM 1088 CB GLU A 67 -0.338 -7.428 -9.821 1.00 75.11 C ATOM 1089 CG GLU A 67 1.054 -7.863 -10.283 1.00 43.23 C ATOM 1090 CD GLU A 67 1.124 -8.162 -11.772 1.00 30.12 C ATOM 1091 OE1 GLU A 67 1.118 -7.207 -12.578 1.00 61.24 O ATOM 1092 OE2 GLU A 67 1.188 -9.351 -12.147 1.00 1.50 O ATOM 0 H GLU A 67 -2.639 -7.055 -9.056 1.00 33.32 H new ATOM 0 HA GLU A 67 -1.559 -8.670 -11.105 1.00 21.13 H new ATOM 0 HB2 GLU A 67 -0.612 -6.514 -10.349 1.00 75.11 H new ATOM 0 HB3 GLU A 67 -0.293 -7.182 -8.760 1.00 75.11 H new ATOM 0 HG2 GLU A 67 1.771 -7.078 -10.042 1.00 43.23 H new ATOM 0 HG3 GLU A 67 1.354 -8.751 -9.726 1.00 43.23 H new ATOM 1099 N PHE A 68 -1.001 -9.797 -8.033 1.00 44.11 N ATOM 1100 CA PHE A 68 -0.590 -10.986 -7.269 1.00 34.20 C ATOM 1101 C PHE A 68 -1.792 -11.843 -6.832 1.00 62.24 C ATOM 1102 O PHE A 68 -1.623 -12.850 -6.140 1.00 64.14 O ATOM 1103 CB PHE A 68 0.225 -10.561 -6.041 1.00 21.13 C ATOM 1104 CG PHE A 68 1.406 -9.688 -6.381 1.00 52.13 C ATOM 1105 CD1 PHE A 68 2.554 -10.234 -6.940 1.00 73.54 C ATOM 1106 CD2 PHE A 68 1.365 -8.320 -6.147 1.00 31.14 C ATOM 1107 CE1 PHE A 68 3.633 -9.432 -7.259 1.00 1.54 C ATOM 1108 CE2 PHE A 68 2.442 -7.517 -6.463 1.00 3.41 C ATOM 1109 CZ PHE A 68 3.577 -8.074 -7.019 1.00 73.21 C ATOM 0 H PHE A 68 -1.228 -8.986 -7.458 1.00 44.11 H new ATOM 0 HA PHE A 68 0.025 -11.600 -7.927 1.00 34.20 H new ATOM 0 HB2 PHE A 68 -0.426 -10.026 -5.349 1.00 21.13 H new ATOM 0 HB3 PHE A 68 0.578 -11.452 -5.522 1.00 21.13 H new ATOM 0 HD1 PHE A 68 2.604 -11.296 -7.127 1.00 73.54 H new ATOM 0 HD2 PHE A 68 0.480 -7.879 -5.713 1.00 31.14 H new ATOM 0 HE1 PHE A 68 4.520 -9.867 -7.696 1.00 1.54 H new ATOM 0 HE2 PHE A 68 2.397 -6.454 -6.276 1.00 3.41 H new ATOM 0 HZ PHE A 68 4.421 -7.447 -7.266 1.00 73.21 H new ATOM 1119 N ASN A 69 -2.997 -11.436 -7.236 1.00 22.11 N ATOM 1120 CA ASN A 69 -4.235 -12.156 -6.886 1.00 72.14 C ATOM 1121 C ASN A 69 -4.414 -12.251 -5.361 1.00 23.41 C ATOM 1122 O ASN A 69 -4.998 -13.206 -4.848 1.00 74.52 O ATOM 1123 CB ASN A 69 -4.243 -13.556 -7.516 1.00 24.41 C ATOM 1124 CG ASN A 69 -4.122 -13.502 -9.027 1.00 0.51 C ATOM 1125 OD1 ASN A 69 -3.026 -13.542 -9.577 1.00 73.30 O ATOM 1126 ND2 ASN A 69 -5.242 -13.389 -9.710 1.00 73.41 N ATOM 0 H ASN A 69 -3.148 -10.606 -7.810 1.00 22.11 H new ATOM 0 HA ASN A 69 -5.075 -11.589 -7.288 1.00 72.14 H new ATOM 0 HB2 ASN A 69 -3.419 -14.142 -7.107 1.00 24.41 H new ATOM 0 HB3 ASN A 69 -5.165 -14.070 -7.245 1.00 24.41 H new ATOM 0 HD21 ASN A 69 -5.215 -13.332 -10.728 1.00 73.41 H new ATOM 0 HD22 ASN A 69 -6.137 -13.359 -9.221 1.00 73.41 H new ATOM 1133 N ILE A 70 -3.933 -11.237 -4.646 1.00 51.54 N ATOM 1134 CA ILE A 70 -3.980 -11.225 -3.179 1.00 5.14 C ATOM 1135 C ILE A 70 -5.084 -10.295 -2.645 1.00 4.15 C ATOM 1136 O ILE A 70 -5.713 -9.553 -3.401 1.00 11.32 O ATOM 1137 CB ILE A 70 -2.617 -10.793 -2.577 1.00 52.53 C ATOM 1138 CG1 ILE A 70 -2.217 -9.396 -3.083 1.00 62.24 C ATOM 1139 CG2 ILE A 70 -1.533 -11.820 -2.904 1.00 51.21 C ATOM 1140 CD1 ILE A 70 -0.899 -8.895 -2.527 1.00 13.15 C ATOM 0 H ILE A 70 -3.504 -10.408 -5.057 1.00 51.54 H new ATOM 0 HA ILE A 70 -4.206 -12.246 -2.870 1.00 5.14 H new ATOM 0 HB ILE A 70 -2.722 -10.744 -1.493 1.00 52.53 H new ATOM 0 HG12 ILE A 70 -2.156 -9.418 -4.171 1.00 62.24 H new ATOM 0 HG13 ILE A 70 -3.003 -8.687 -2.822 1.00 62.24 H new ATOM 0 HG21 ILE A 70 -0.585 -11.498 -2.473 1.00 51.21 H new ATOM 0 HG22 ILE A 70 -1.811 -12.788 -2.487 1.00 51.21 H new ATOM 0 HG23 ILE A 70 -1.429 -11.907 -3.985 1.00 51.21 H new ATOM 0 HD11 ILE A 70 -0.687 -7.905 -2.930 1.00 13.15 H new ATOM 0 HD12 ILE A 70 -0.961 -8.839 -1.440 1.00 13.15 H new ATOM 0 HD13 ILE A 70 -0.100 -9.581 -2.810 1.00 13.15 H new ATOM 1152 N THR A 71 -5.316 -10.353 -1.336 1.00 33.32 N ATOM 1153 CA THR A 71 -6.303 -9.488 -0.674 1.00 2.12 C ATOM 1154 C THR A 71 -5.629 -8.274 -0.016 1.00 2.12 C ATOM 1155 O THR A 71 -4.541 -8.388 0.555 1.00 0.23 O ATOM 1156 CB THR A 71 -7.105 -10.263 0.406 1.00 11.33 C ATOM 1157 OG1 THR A 71 -7.840 -11.342 -0.197 1.00 34.53 O ATOM 1158 CG2 THR A 71 -8.077 -9.347 1.146 1.00 53.03 C ATOM 0 H THR A 71 -4.833 -10.993 -0.705 1.00 33.32 H new ATOM 0 HA THR A 71 -6.987 -9.145 -1.450 1.00 2.12 H new ATOM 0 HB THR A 71 -6.387 -10.660 1.123 1.00 11.33 H new ATOM 0 HG1 THR A 71 -8.340 -11.824 0.495 1.00 34.53 H new ATOM 0 HG21 THR A 71 -8.621 -9.923 1.894 1.00 53.03 H new ATOM 0 HG22 THR A 71 -7.522 -8.548 1.637 1.00 53.03 H new ATOM 0 HG23 THR A 71 -8.783 -8.916 0.436 1.00 53.03 H new ATOM 1166 N VAL A 72 -6.284 -7.115 -0.098 1.00 65.11 N ATOM 1167 CA VAL A 72 -5.758 -5.878 0.498 1.00 41.22 C ATOM 1168 C VAL A 72 -6.888 -4.959 0.990 1.00 4.43 C ATOM 1169 O VAL A 72 -7.945 -4.874 0.366 1.00 32.51 O ATOM 1170 CB VAL A 72 -4.879 -5.095 -0.518 1.00 24.13 C ATOM 1171 CG1 VAL A 72 -5.675 -4.735 -1.772 1.00 43.13 C ATOM 1172 CG2 VAL A 72 -4.280 -3.842 0.126 1.00 72.45 C ATOM 0 H VAL A 72 -7.181 -7.003 -0.571 1.00 65.11 H new ATOM 0 HA VAL A 72 -5.149 -6.178 1.351 1.00 41.22 H new ATOM 0 HB VAL A 72 -4.058 -5.746 -0.818 1.00 24.13 H new ATOM 0 HG11 VAL A 72 -5.035 -4.188 -2.465 1.00 43.13 H new ATOM 0 HG12 VAL A 72 -6.032 -5.647 -2.251 1.00 43.13 H new ATOM 0 HG13 VAL A 72 -6.526 -4.113 -1.496 1.00 43.13 H new ATOM 0 HG21 VAL A 72 -3.670 -3.313 -0.606 1.00 72.45 H new ATOM 0 HG22 VAL A 72 -5.083 -3.190 0.468 1.00 72.45 H new ATOM 0 HG23 VAL A 72 -3.660 -4.130 0.975 1.00 72.45 H new ATOM 1182 N THR A 73 -6.666 -4.284 2.116 1.00 11.44 N ATOM 1183 CA THR A 73 -7.606 -3.268 2.610 1.00 43.43 C ATOM 1184 C THR A 73 -6.931 -1.892 2.684 1.00 3.02 C ATOM 1185 O THR A 73 -5.724 -1.793 2.925 1.00 32.34 O ATOM 1186 CB THR A 73 -8.176 -3.633 4.002 1.00 33.04 C ATOM 1187 OG1 THR A 73 -7.117 -3.721 4.963 1.00 12.35 O ATOM 1188 CG2 THR A 73 -8.934 -4.960 3.958 1.00 41.23 C ATOM 0 H THR A 73 -5.845 -4.419 2.706 1.00 11.44 H new ATOM 0 HA THR A 73 -8.432 -3.233 1.900 1.00 43.43 H new ATOM 0 HB THR A 73 -8.871 -2.845 4.294 1.00 33.04 H new ATOM 0 HG1 THR A 73 -7.489 -3.951 5.840 1.00 12.35 H new ATOM 0 HG21 THR A 73 -9.323 -5.190 4.950 1.00 41.23 H new ATOM 0 HG22 THR A 73 -9.762 -4.883 3.253 1.00 41.23 H new ATOM 0 HG23 THR A 73 -8.259 -5.754 3.640 1.00 41.23 H new ATOM 1196 N TYR A 74 -7.706 -0.831 2.463 1.00 71.54 N ATOM 1197 CA TYR A 74 -7.167 0.533 2.441 1.00 72.25 C ATOM 1198 C TYR A 74 -8.151 1.551 3.046 1.00 33.32 C ATOM 1199 O TYR A 74 -9.296 1.670 2.605 1.00 23.34 O ATOM 1200 CB TYR A 74 -6.792 0.932 1.000 1.00 11.32 C ATOM 1201 CG TYR A 74 -7.925 0.802 -0.009 1.00 71.43 C ATOM 1202 CD1 TYR A 74 -8.397 -0.450 -0.396 1.00 71.54 C ATOM 1203 CD2 TYR A 74 -8.518 1.927 -0.575 1.00 61.21 C ATOM 1204 CE1 TYR A 74 -9.424 -0.575 -1.310 1.00 32.13 C ATOM 1205 CE2 TYR A 74 -9.547 1.808 -1.491 1.00 42.21 C ATOM 1206 CZ TYR A 74 -9.995 0.555 -1.855 1.00 35.34 C ATOM 1207 OH TYR A 74 -11.025 0.429 -2.763 1.00 33.54 O ATOM 0 H TYR A 74 -8.711 -0.887 2.296 1.00 71.54 H new ATOM 0 HA TYR A 74 -6.270 0.545 3.060 1.00 72.25 H new ATOM 0 HB2 TYR A 74 -6.442 1.964 1.002 1.00 11.32 H new ATOM 0 HB3 TYR A 74 -5.957 0.313 0.671 1.00 11.32 H new ATOM 0 HD1 TYR A 74 -7.952 -1.339 0.026 1.00 71.54 H new ATOM 0 HD2 TYR A 74 -8.168 2.909 -0.294 1.00 61.21 H new ATOM 0 HE1 TYR A 74 -9.779 -1.554 -1.597 1.00 32.13 H new ATOM 0 HE2 TYR A 74 -9.998 2.691 -1.919 1.00 42.21 H new ATOM 0 HH TYR A 74 -10.673 0.090 -3.612 1.00 33.54 H new ATOM 1217 N THR A 75 -7.692 2.290 4.059 1.00 32.22 N ATOM 1218 CA THR A 75 -8.520 3.308 4.730 1.00 65.22 C ATOM 1219 C THR A 75 -7.764 4.640 4.875 1.00 23.14 C ATOM 1220 O THR A 75 -6.552 4.656 5.109 1.00 21.42 O ATOM 1221 CB THR A 75 -8.972 2.833 6.137 1.00 43.11 C ATOM 1222 OG1 THR A 75 -9.618 1.555 6.047 1.00 54.42 O ATOM 1223 CG2 THR A 75 -9.929 3.834 6.781 1.00 55.21 C ATOM 0 H THR A 75 -6.748 2.205 4.437 1.00 32.22 H new ATOM 0 HA THR A 75 -9.398 3.459 4.102 1.00 65.22 H new ATOM 0 HB THR A 75 -8.080 2.753 6.758 1.00 43.11 H new ATOM 0 HG1 THR A 75 -9.897 1.266 6.941 1.00 54.42 H new ATOM 0 HG21 THR A 75 -10.227 3.472 7.765 1.00 55.21 H new ATOM 0 HG22 THR A 75 -9.431 4.798 6.885 1.00 55.21 H new ATOM 0 HG23 THR A 75 -10.813 3.948 6.154 1.00 55.21 H new ATOM 1231 N ILE A 76 -8.483 5.755 4.738 1.00 41.34 N ATOM 1232 CA ILE A 76 -7.881 7.091 4.839 1.00 65.11 C ATOM 1233 C ILE A 76 -8.130 7.721 6.224 1.00 24.00 C ATOM 1234 O ILE A 76 -9.236 8.169 6.532 1.00 22.32 O ATOM 1235 CB ILE A 76 -8.431 8.037 3.740 1.00 51.13 C ATOM 1236 CG1 ILE A 76 -8.272 7.396 2.346 1.00 2.44 C ATOM 1237 CG2 ILE A 76 -7.731 9.397 3.795 1.00 64.21 C ATOM 1238 CD1 ILE A 76 -6.842 7.055 1.979 1.00 63.12 C ATOM 0 H ILE A 76 -9.487 5.762 4.556 1.00 41.34 H new ATOM 0 HA ILE A 76 -6.807 6.965 4.699 1.00 65.11 H new ATOM 0 HB ILE A 76 -9.493 8.196 3.925 1.00 51.13 H new ATOM 0 HG12 ILE A 76 -8.872 6.487 2.306 1.00 2.44 H new ATOM 0 HG13 ILE A 76 -8.675 8.078 1.597 1.00 2.44 H new ATOM 0 HG21 ILE A 76 -8.132 10.045 3.015 1.00 64.21 H new ATOM 0 HG22 ILE A 76 -7.901 9.854 4.770 1.00 64.21 H new ATOM 0 HG23 ILE A 76 -6.661 9.262 3.639 1.00 64.21 H new ATOM 0 HD11 ILE A 76 -6.818 6.609 0.985 1.00 63.12 H new ATOM 0 HD12 ILE A 76 -6.239 7.963 1.984 1.00 63.12 H new ATOM 0 HD13 ILE A 76 -6.439 6.348 2.704 1.00 63.12 H new ATOM 1250 N ARG A 77 -7.091 7.757 7.051 1.00 25.20 N ATOM 1251 CA ARG A 77 -7.178 8.352 8.390 1.00 63.43 C ATOM 1252 C ARG A 77 -6.983 9.879 8.335 1.00 40.15 C ATOM 1253 O ARG A 77 -5.868 10.378 8.149 1.00 20.41 O ATOM 1254 CB ARG A 77 -6.140 7.704 9.318 1.00 24.13 C ATOM 1255 CG ARG A 77 -6.464 6.258 9.689 1.00 13.22 C ATOM 1256 CD ARG A 77 -5.285 5.553 10.361 1.00 13.34 C ATOM 1257 NE ARG A 77 -4.690 6.345 11.441 1.00 21.30 N ATOM 1258 CZ ARG A 77 -4.563 5.935 12.676 1.00 63.54 C ATOM 1259 NH1 ARG A 77 -5.060 4.802 13.057 1.00 34.51 N ATOM 1260 NH2 ARG A 77 -3.927 6.665 13.530 1.00 44.21 N ATOM 0 H ARG A 77 -6.172 7.380 6.821 1.00 25.20 H new ATOM 0 HA ARG A 77 -8.175 8.162 8.788 1.00 63.43 H new ATOM 0 HB2 ARG A 77 -5.164 7.735 8.834 1.00 24.13 H new ATOM 0 HB3 ARG A 77 -6.063 8.295 10.231 1.00 24.13 H new ATOM 0 HG2 ARG A 77 -7.324 6.241 10.358 1.00 13.22 H new ATOM 0 HG3 ARG A 77 -6.748 5.710 8.791 1.00 13.22 H new ATOM 0 HD2 ARG A 77 -5.620 4.596 10.761 1.00 13.34 H new ATOM 0 HD3 ARG A 77 -4.522 5.337 9.613 1.00 13.34 H new ATOM 0 HE ARG A 77 -4.352 7.280 11.214 1.00 21.30 H new ATOM 0 HH11 ARG A 77 -5.560 4.214 12.390 1.00 34.51 H new ATOM 0 HH12 ARG A 77 -4.952 4.497 14.024 1.00 34.51 H new ATOM 0 HH21 ARG A 77 -3.526 7.557 13.240 1.00 44.21 H new ATOM 0 HH22 ARG A 77 -3.825 6.350 14.495 1.00 44.21 H new