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 -139:sc= -0.445 (180deg=-1.23) USER MOD Single : A 1 MET N :NH3+ -146:sc= 0.806 (180deg=0.216) USER MOD Single : A 3 MET CE :methyl -128:sc= -1.07 (180deg=-3.05!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 175:sc= -0.0013 (180deg=-0.0457) USER MOD Single : A 22 MET CE :methyl -165:sc= -0.0537 (180deg=-0.346) USER MOD Single : A 25 GLN :FLIP amide:sc= -0.131 F(o=-0.76,f=-0.13) 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=-0.00315 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 93:sc= 0.307 USER MOD Single : A 40 ASN : amide:sc= -0.0674 K(o=-0.067,f=-2.1) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 160:sc= 1.31 (180deg=0.937) USER MOD Single : A 66 LYS NZ :NH3+ -167:sc= -0.0671 (180deg=-0.269) 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= -0.407 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.069 13.715 6.183 1.00 31.54 N ATOM 2 CA MET A 1 -2.945 12.671 5.580 1.00 10.15 C ATOM 3 C MET A 1 -2.232 11.311 5.589 1.00 31.10 C ATOM 4 O MET A 1 -1.273 11.094 4.841 1.00 25.41 O ATOM 5 CB MET A 1 -3.323 13.064 4.138 1.00 20.51 C ATOM 6 CG MET A 1 -4.636 12.457 3.648 1.00 64.31 C ATOM 7 SD MET A 1 -4.693 10.657 3.775 1.00 41.32 S ATOM 8 CE MET A 1 -3.460 10.172 2.572 1.00 4.04 C ATOM 0 H1 MET A 1 -2.654 14.408 6.692 1.00 31.54 H new ATOM 0 H2 MET A 1 -1.404 13.269 6.847 1.00 31.54 H new ATOM 0 H3 MET A 1 -1.536 14.197 5.431 1.00 31.54 H new ATOM 0 HA MET A 1 -3.856 12.592 6.173 1.00 10.15 H new ATOM 0 HB2 MET A 1 -3.392 14.150 4.075 1.00 20.51 H new ATOM 0 HB3 MET A 1 -2.521 12.756 3.467 1.00 20.51 H new ATOM 0 HG2 MET A 1 -5.459 12.880 4.224 1.00 64.31 H new ATOM 0 HG3 MET A 1 -4.794 12.745 2.609 1.00 64.31 H new ATOM 0 HE1 MET A 1 -3.818 9.309 2.011 1.00 4.04 H new ATOM 0 HE2 MET A 1 -3.276 10.999 1.886 1.00 4.04 H new ATOM 0 HE3 MET A 1 -2.534 9.913 3.085 1.00 4.04 H new ATOM 20 N GLU A 2 -2.685 10.413 6.461 1.00 24.11 N ATOM 21 CA GLU A 2 -2.061 9.096 6.631 1.00 71.20 C ATOM 22 C GLU A 2 -2.967 7.982 6.086 1.00 22.52 C ATOM 23 O GLU A 2 -4.195 8.070 6.162 1.00 22.33 O ATOM 24 CB GLU A 2 -1.750 8.848 8.118 1.00 71.32 C ATOM 25 CG GLU A 2 -0.676 9.769 8.711 1.00 42.24 C ATOM 26 CD GLU A 2 -1.049 11.248 8.672 1.00 5.01 C ATOM 27 OE1 GLU A 2 -1.971 11.658 9.411 1.00 40.35 O ATOM 28 OE2 GLU A 2 -0.431 12.008 7.891 1.00 23.52 O ATOM 0 H GLU A 2 -3.489 10.573 7.068 1.00 24.11 H new ATOM 0 HA GLU A 2 -1.130 9.083 6.064 1.00 71.20 H new ATOM 0 HB2 GLU A 2 -2.669 8.967 8.692 1.00 71.32 H new ATOM 0 HB3 GLU A 2 -1.430 7.813 8.240 1.00 71.32 H new ATOM 0 HG2 GLU A 2 -0.490 9.477 9.745 1.00 42.24 H new ATOM 0 HG3 GLU A 2 0.257 9.624 8.166 1.00 42.24 H new ATOM 35 N MET A 3 -2.355 6.933 5.539 1.00 22.20 N ATOM 36 CA MET A 3 -3.107 5.834 4.920 1.00 62.23 C ATOM 37 C MET A 3 -2.429 4.471 5.152 1.00 75.33 C ATOM 38 O MET A 3 -1.285 4.257 4.745 1.00 4.33 O ATOM 39 CB MET A 3 -3.277 6.111 3.415 1.00 31.41 C ATOM 40 CG MET A 3 -1.976 6.441 2.688 1.00 1.52 C ATOM 41 SD MET A 3 -2.245 6.990 0.990 1.00 72.41 S ATOM 42 CE MET A 3 -3.083 5.569 0.291 1.00 72.34 C ATOM 0 H MET A 3 -1.342 6.818 5.510 1.00 22.20 H new ATOM 0 HA MET A 3 -4.088 5.784 5.392 1.00 62.23 H new ATOM 0 HB2 MET A 3 -3.731 5.238 2.946 1.00 31.41 H new ATOM 0 HB3 MET A 3 -3.972 6.940 3.286 1.00 31.41 H new ATOM 0 HG2 MET A 3 -1.445 7.219 3.237 1.00 1.52 H new ATOM 0 HG3 MET A 3 -1.334 5.560 2.683 1.00 1.52 H new ATOM 0 HE1 MET A 3 -2.576 5.261 -0.624 1.00 72.34 H new ATOM 0 HE2 MET A 3 -3.067 4.748 1.008 1.00 72.34 H new ATOM 0 HE3 MET A 3 -4.116 5.832 0.063 1.00 72.34 H new ATOM 52 N ASP A 4 -3.141 3.563 5.824 1.00 10.12 N ATOM 53 CA ASP A 4 -2.653 2.198 6.071 1.00 73.13 C ATOM 54 C ASP A 4 -3.128 1.231 4.974 1.00 41.34 C ATOM 55 O ASP A 4 -4.311 1.197 4.644 1.00 52.22 O ATOM 56 CB ASP A 4 -3.150 1.700 7.434 1.00 72.42 C ATOM 57 CG ASP A 4 -2.621 2.526 8.593 1.00 73.11 C ATOM 58 OD1 ASP A 4 -3.131 3.641 8.821 1.00 31.13 O ATOM 59 OD2 ASP A 4 -1.702 2.053 9.298 1.00 62.00 O ATOM 0 H ASP A 4 -4.066 3.748 6.211 1.00 10.12 H new ATOM 0 HA ASP A 4 -1.563 2.227 6.063 1.00 73.13 H new ATOM 0 HB2 ASP A 4 -4.240 1.720 7.447 1.00 72.42 H new ATOM 0 HB3 ASP A 4 -2.849 0.661 7.568 1.00 72.42 H new ATOM 64 N ILE A 5 -2.210 0.445 4.417 1.00 22.41 N ATOM 65 CA ILE A 5 -2.552 -0.528 3.366 1.00 71.03 C ATOM 66 C ILE A 5 -1.927 -1.904 3.651 1.00 21.22 C ATOM 67 O ILE A 5 -0.710 -2.059 3.599 1.00 40.25 O ATOM 68 CB ILE A 5 -2.075 -0.048 1.968 1.00 31.34 C ATOM 69 CG1 ILE A 5 -2.620 1.358 1.654 1.00 31.20 C ATOM 70 CG2 ILE A 5 -2.508 -1.040 0.887 1.00 34.25 C ATOM 71 CD1 ILE A 5 -2.143 1.921 0.331 1.00 15.11 C ATOM 0 H ILE A 5 -1.222 0.458 4.671 1.00 22.41 H new ATOM 0 HA ILE A 5 -3.639 -0.614 3.367 1.00 71.03 H new ATOM 0 HB ILE A 5 -0.986 0.004 1.980 1.00 31.34 H new ATOM 0 HG12 ILE A 5 -3.709 1.322 1.651 1.00 31.20 H new ATOM 0 HG13 ILE A 5 -2.326 2.038 2.454 1.00 31.20 H new ATOM 0 HG21 ILE A 5 -2.166 -0.689 -0.087 1.00 34.25 H new ATOM 0 HG22 ILE A 5 -2.072 -2.017 1.094 1.00 34.25 H new ATOM 0 HG23 ILE A 5 -3.595 -1.121 0.882 1.00 34.25 H new ATOM 0 HD11 ILE A 5 -2.570 2.913 0.183 1.00 15.11 H new ATOM 0 HD12 ILE A 5 -1.055 1.991 0.336 1.00 15.11 H new ATOM 0 HD13 ILE A 5 -2.460 1.265 -0.479 1.00 15.11 H new ATOM 83 N ARG A 6 -2.761 -2.901 3.936 1.00 4.44 N ATOM 84 CA ARG A 6 -2.280 -4.255 4.245 1.00 11.44 C ATOM 85 C ARG A 6 -2.456 -5.210 3.050 1.00 45.13 C ATOM 86 O ARG A 6 -3.570 -5.414 2.562 1.00 63.14 O ATOM 87 CB ARG A 6 -3.017 -4.816 5.471 1.00 42.52 C ATOM 88 CG ARG A 6 -2.868 -3.958 6.724 1.00 4.14 C ATOM 89 CD ARG A 6 -3.517 -4.608 7.941 1.00 3.11 C ATOM 90 NE ARG A 6 -2.890 -5.884 8.289 1.00 65.44 N ATOM 91 CZ ARG A 6 -3.026 -6.482 9.439 1.00 52.42 C ATOM 92 NH1 ARG A 6 -3.753 -5.957 10.376 1.00 2.52 N ATOM 93 NH2 ARG A 6 -2.422 -7.603 9.651 1.00 23.54 N ATOM 0 H ARG A 6 -3.776 -2.801 3.961 1.00 4.44 H new ATOM 0 HA ARG A 6 -1.215 -4.181 4.463 1.00 11.44 H new ATOM 0 HB2 ARG A 6 -4.076 -4.915 5.233 1.00 42.52 H new ATOM 0 HB3 ARG A 6 -2.643 -5.818 5.681 1.00 42.52 H new ATOM 0 HG2 ARG A 6 -1.810 -3.789 6.924 1.00 4.14 H new ATOM 0 HG3 ARG A 6 -3.320 -2.981 6.551 1.00 4.14 H new ATOM 0 HD2 ARG A 6 -3.451 -3.929 8.791 1.00 3.11 H new ATOM 0 HD3 ARG A 6 -4.577 -4.768 7.743 1.00 3.11 H new ATOM 0 HE ARG A 6 -2.307 -6.336 7.584 1.00 65.44 H new ATOM 0 HH11 ARG A 6 -4.225 -5.067 10.217 1.00 2.52 H new ATOM 0 HH12 ARG A 6 -3.852 -6.434 11.272 1.00 2.52 H new ATOM 0 HH21 ARG A 6 -1.842 -8.016 8.921 1.00 23.54 H new ATOM 0 HH22 ARG A 6 -2.525 -8.076 10.549 1.00 23.54 H new ATOM 107 N PHE A 7 -1.347 -5.794 2.590 1.00 40.10 N ATOM 108 CA PHE A 7 -1.373 -6.764 1.484 1.00 33.03 C ATOM 109 C PHE A 7 -1.271 -8.208 1.998 1.00 41.02 C ATOM 110 O PHE A 7 -0.333 -8.553 2.714 1.00 11.54 O ATOM 111 CB PHE A 7 -0.220 -6.493 0.506 1.00 33.23 C ATOM 112 CG PHE A 7 -0.352 -5.204 -0.263 1.00 53.42 C ATOM 113 CD1 PHE A 7 -1.109 -5.152 -1.423 1.00 53.02 C ATOM 114 CD2 PHE A 7 0.285 -4.048 0.168 1.00 44.10 C ATOM 115 CE1 PHE A 7 -1.227 -3.977 -2.140 1.00 63.42 C ATOM 116 CE2 PHE A 7 0.169 -2.872 -0.545 1.00 11.14 C ATOM 117 CZ PHE A 7 -0.588 -2.836 -1.699 1.00 54.24 C ATOM 0 H PHE A 7 -0.416 -5.614 2.965 1.00 40.10 H new ATOM 0 HA PHE A 7 -2.327 -6.645 0.970 1.00 33.03 H new ATOM 0 HB2 PHE A 7 0.717 -6.477 1.062 1.00 33.23 H new ATOM 0 HB3 PHE A 7 -0.156 -7.320 -0.201 1.00 33.23 H new ATOM 0 HD1 PHE A 7 -1.613 -6.042 -1.771 1.00 53.02 H new ATOM 0 HD2 PHE A 7 0.878 -4.069 1.071 1.00 44.10 H new ATOM 0 HE1 PHE A 7 -1.818 -3.951 -3.044 1.00 63.42 H new ATOM 0 HE2 PHE A 7 0.670 -1.980 -0.200 1.00 11.14 H new ATOM 0 HZ PHE A 7 -0.680 -1.915 -2.256 1.00 54.24 H new ATOM 127 N ARG A 8 -2.225 -9.051 1.600 1.00 63.41 N ATOM 128 CA ARG A 8 -2.261 -10.457 2.028 1.00 13.03 C ATOM 129 C ARG A 8 -2.679 -11.370 0.866 1.00 73.44 C ATOM 130 O ARG A 8 -3.652 -11.087 0.168 1.00 62.33 O ATOM 131 CB ARG A 8 -3.246 -10.621 3.198 1.00 51.04 C ATOM 132 CG ARG A 8 -3.319 -12.042 3.755 1.00 31.01 C ATOM 133 CD ARG A 8 -4.366 -12.168 4.859 1.00 75.21 C ATOM 134 NE ARG A 8 -4.043 -11.365 6.041 1.00 24.41 N ATOM 135 CZ ARG A 8 -4.881 -11.130 7.018 1.00 42.44 C ATOM 136 NH1 ARG A 8 -6.065 -11.657 7.014 1.00 60.33 N ATOM 137 NH2 ARG A 8 -4.520 -10.395 8.018 1.00 35.11 N ATOM 0 H ARG A 8 -2.989 -8.786 0.978 1.00 63.41 H new ATOM 0 HA ARG A 8 -1.261 -10.745 2.351 1.00 13.03 H new ATOM 0 HB2 ARG A 8 -2.957 -9.942 4.000 1.00 51.04 H new ATOM 0 HB3 ARG A 8 -4.240 -10.320 2.867 1.00 51.04 H new ATOM 0 HG2 ARG A 8 -3.556 -12.736 2.949 1.00 31.01 H new ATOM 0 HG3 ARG A 8 -2.343 -12.329 4.146 1.00 31.01 H new ATOM 0 HD2 ARG A 8 -5.337 -11.860 4.470 1.00 75.21 H new ATOM 0 HD3 ARG A 8 -4.457 -13.215 5.150 1.00 75.21 H new ATOM 0 HE ARG A 8 -3.107 -10.964 6.106 1.00 24.41 H new ATOM 0 HH11 ARG A 8 -6.351 -12.262 6.244 1.00 60.33 H new ATOM 0 HH12 ARG A 8 -6.710 -11.467 7.781 1.00 60.33 H new ATOM 0 HH21 ARG A 8 -3.581 -9.998 8.046 1.00 35.11 H new ATOM 0 HH22 ARG A 8 -5.174 -10.212 8.779 1.00 35.11 H new ATOM 151 N GLY A 9 -1.948 -12.465 0.655 1.00 75.41 N ATOM 152 CA GLY A 9 -2.310 -13.388 -0.415 1.00 25.14 C ATOM 153 C GLY A 9 -1.257 -14.450 -0.726 1.00 73.04 C ATOM 154 O GLY A 9 -0.245 -14.570 -0.032 1.00 61.32 O ATOM 0 H GLY A 9 -1.124 -12.728 1.196 1.00 75.41 H new ATOM 0 HA2 GLY A 9 -3.241 -13.887 -0.146 1.00 25.14 H new ATOM 0 HA3 GLY A 9 -2.506 -12.814 -1.321 1.00 25.14 H new ATOM 158 N ASP A 10 -1.508 -15.222 -1.786 1.00 14.23 N ATOM 159 CA ASP A 10 -0.655 -16.355 -2.162 1.00 11.31 C ATOM 160 C ASP A 10 0.511 -15.931 -3.075 1.00 32.12 C ATOM 161 O ASP A 10 0.401 -15.982 -4.303 1.00 41.25 O ATOM 162 CB ASP A 10 -1.501 -17.428 -2.859 1.00 65.14 C ATOM 163 CG ASP A 10 -2.656 -17.904 -1.995 1.00 32.24 C ATOM 164 OD1 ASP A 10 -3.592 -17.112 -1.757 1.00 15.52 O ATOM 165 OD2 ASP A 10 -2.629 -19.062 -1.534 1.00 53.51 O ATOM 0 H ASP A 10 -2.305 -15.081 -2.407 1.00 14.23 H new ATOM 0 HA ASP A 10 -0.220 -16.758 -1.247 1.00 11.31 H new ATOM 0 HB2 ASP A 10 -1.891 -17.028 -3.795 1.00 65.14 H new ATOM 0 HB3 ASP A 10 -0.868 -18.277 -3.115 1.00 65.14 H new ATOM 170 N ASP A 11 1.609 -15.491 -2.460 1.00 15.15 N ATOM 171 CA ASP A 11 2.852 -15.164 -3.177 1.00 63.35 C ATOM 172 C ASP A 11 3.915 -14.657 -2.184 1.00 74.21 C ATOM 173 O ASP A 11 3.597 -14.320 -1.040 1.00 3.10 O ATOM 174 CB ASP A 11 2.605 -14.109 -4.276 1.00 65.42 C ATOM 175 CG ASP A 11 3.718 -14.081 -5.316 1.00 54.43 C ATOM 176 OD1 ASP A 11 4.735 -13.392 -5.098 1.00 25.12 O ATOM 177 OD2 ASP A 11 3.588 -14.760 -6.355 1.00 22.22 O ATOM 0 H ASP A 11 1.667 -15.350 -1.451 1.00 15.15 H new ATOM 0 HA ASP A 11 3.213 -16.072 -3.659 1.00 63.35 H new ATOM 0 HB2 ASP A 11 1.656 -14.318 -4.769 1.00 65.42 H new ATOM 0 HB3 ASP A 11 2.516 -13.124 -3.817 1.00 65.42 H new ATOM 182 N LEU A 12 5.173 -14.614 -2.617 1.00 42.20 N ATOM 183 CA LEU A 12 6.270 -14.120 -1.772 1.00 54.01 C ATOM 184 C LEU A 12 6.859 -12.817 -2.338 1.00 51.24 C ATOM 185 O LEU A 12 7.092 -11.856 -1.604 1.00 43.44 O ATOM 186 CB LEU A 12 7.367 -15.189 -1.648 1.00 43.41 C ATOM 187 CG LEU A 12 8.533 -14.832 -0.709 1.00 20.44 C ATOM 188 CD1 LEU A 12 8.034 -14.622 0.718 1.00 30.24 C ATOM 189 CD2 LEU A 12 9.608 -15.913 -0.751 1.00 2.11 C ATOM 0 H LEU A 12 5.463 -14.914 -3.548 1.00 42.20 H new ATOM 0 HA LEU A 12 5.867 -13.908 -0.782 1.00 54.01 H new ATOM 0 HB2 LEU A 12 6.911 -16.115 -1.297 1.00 43.41 H new ATOM 0 HB3 LEU A 12 7.770 -15.389 -2.641 1.00 43.41 H new ATOM 0 HG LEU A 12 8.975 -13.898 -1.055 1.00 20.44 H new ATOM 0 HD11 LEU A 12 8.875 -14.371 1.364 1.00 30.24 H new ATOM 0 HD12 LEU A 12 7.309 -13.809 0.734 1.00 30.24 H new ATOM 0 HD13 LEU A 12 7.562 -15.537 1.077 1.00 30.24 H new ATOM 0 HD21 LEU A 12 10.423 -15.642 -0.080 1.00 2.11 H new ATOM 0 HD22 LEU A 12 9.180 -16.864 -0.435 1.00 2.11 H new ATOM 0 HD23 LEU A 12 9.990 -16.007 -1.767 1.00 2.11 H new ATOM 201 N GLU A 13 7.080 -12.789 -3.651 1.00 30.24 N ATOM 202 CA GLU A 13 7.606 -11.599 -4.331 1.00 4.22 C ATOM 203 C GLU A 13 6.627 -10.421 -4.223 1.00 21.54 C ATOM 204 O GLU A 13 7.028 -9.261 -4.301 1.00 63.10 O ATOM 205 CB GLU A 13 7.913 -11.897 -5.807 1.00 14.41 C ATOM 206 CG GLU A 13 9.087 -12.850 -6.030 1.00 74.24 C ATOM 207 CD GLU A 13 8.844 -14.244 -5.476 1.00 1.03 C ATOM 208 OE1 GLU A 13 8.172 -15.049 -6.153 1.00 43.11 O ATOM 209 OE2 GLU A 13 9.322 -14.543 -4.365 1.00 52.44 O ATOM 0 H GLU A 13 6.903 -13.579 -4.271 1.00 30.24 H new ATOM 0 HA GLU A 13 8.535 -11.322 -3.833 1.00 4.22 H new ATOM 0 HB2 GLU A 13 7.023 -12.322 -6.272 1.00 14.41 H new ATOM 0 HB3 GLU A 13 8.122 -10.957 -6.319 1.00 14.41 H new ATOM 0 HG2 GLU A 13 9.290 -12.922 -7.099 1.00 74.24 H new ATOM 0 HG3 GLU A 13 9.979 -12.432 -5.564 1.00 74.24 H new ATOM 216 N ALA A 14 5.338 -10.727 -4.056 1.00 65.32 N ATOM 217 CA ALA A 14 4.315 -9.691 -3.865 1.00 31.33 C ATOM 218 C ALA A 14 4.684 -8.739 -2.713 1.00 21.42 C ATOM 219 O ALA A 14 4.313 -7.563 -2.722 1.00 64.31 O ATOM 220 CB ALA A 14 2.959 -10.335 -3.605 1.00 22.51 C ATOM 0 H ALA A 14 4.977 -11.681 -4.049 1.00 65.32 H new ATOM 0 HA ALA A 14 4.261 -9.100 -4.779 1.00 31.33 H new ATOM 0 HB1 ALA A 14 2.208 -9.558 -3.465 1.00 22.51 H new ATOM 0 HB2 ALA A 14 2.683 -10.957 -4.456 1.00 22.51 H new ATOM 0 HB3 ALA A 14 3.015 -10.951 -2.708 1.00 22.51 H new ATOM 226 N PHE A 15 5.430 -9.259 -1.733 1.00 54.21 N ATOM 227 CA PHE A 15 5.953 -8.449 -0.626 1.00 41.31 C ATOM 228 C PHE A 15 6.808 -7.283 -1.150 1.00 32.33 C ATOM 229 O PHE A 15 6.502 -6.111 -0.914 1.00 21.42 O ATOM 230 CB PHE A 15 6.790 -9.335 0.314 1.00 65.41 C ATOM 231 CG PHE A 15 7.538 -8.578 1.388 1.00 14.50 C ATOM 232 CD1 PHE A 15 6.911 -8.217 2.572 1.00 61.24 C ATOM 233 CD2 PHE A 15 8.871 -8.228 1.212 1.00 30.02 C ATOM 234 CE1 PHE A 15 7.596 -7.525 3.552 1.00 64.40 C ATOM 235 CE2 PHE A 15 9.559 -7.535 2.190 1.00 42.10 C ATOM 236 CZ PHE A 15 8.919 -7.183 3.361 1.00 32.14 C ATOM 0 H PHE A 15 5.687 -10.245 -1.684 1.00 54.21 H new ATOM 0 HA PHE A 15 5.110 -8.030 -0.077 1.00 41.31 H new ATOM 0 HB2 PHE A 15 6.131 -10.061 0.791 1.00 65.41 H new ATOM 0 HB3 PHE A 15 7.508 -9.899 -0.282 1.00 65.41 H new ATOM 0 HD1 PHE A 15 5.875 -8.480 2.729 1.00 61.24 H new ATOM 0 HD2 PHE A 15 9.377 -8.501 0.298 1.00 30.02 H new ATOM 0 HE1 PHE A 15 7.095 -7.251 4.469 1.00 64.40 H new ATOM 0 HE2 PHE A 15 10.595 -7.270 2.038 1.00 42.10 H new ATOM 0 HZ PHE A 15 9.453 -6.640 4.127 1.00 32.14 H new ATOM 246 N GLU A 16 7.883 -7.614 -1.871 1.00 14.23 N ATOM 247 CA GLU A 16 8.790 -6.597 -2.412 1.00 54.21 C ATOM 248 C GLU A 16 8.126 -5.789 -3.535 1.00 3.34 C ATOM 249 O GLU A 16 8.320 -4.584 -3.634 1.00 21.31 O ATOM 250 CB GLU A 16 10.085 -7.245 -2.927 1.00 25.11 C ATOM 251 CG GLU A 16 9.875 -8.227 -4.074 1.00 11.53 C ATOM 252 CD GLU A 16 11.180 -8.782 -4.613 1.00 72.51 C ATOM 253 OE1 GLU A 16 11.747 -9.692 -3.977 1.00 5.24 O ATOM 254 OE2 GLU A 16 11.649 -8.306 -5.667 1.00 71.45 O ATOM 0 H GLU A 16 8.146 -8.574 -2.093 1.00 14.23 H new ATOM 0 HA GLU A 16 9.033 -5.912 -1.600 1.00 54.21 H new ATOM 0 HB2 GLU A 16 10.766 -6.460 -3.255 1.00 25.11 H new ATOM 0 HB3 GLU A 16 10.572 -7.765 -2.102 1.00 25.11 H new ATOM 0 HG2 GLU A 16 9.248 -9.050 -3.732 1.00 11.53 H new ATOM 0 HG3 GLU A 16 9.336 -7.729 -4.880 1.00 11.53 H new ATOM 261 N LYS A 17 7.339 -6.456 -4.374 1.00 11.45 N ATOM 262 CA LYS A 17 6.650 -5.793 -5.488 1.00 44.11 C ATOM 263 C LYS A 17 5.761 -4.636 -5.010 1.00 34.20 C ATOM 264 O LYS A 17 5.899 -3.507 -5.478 1.00 51.11 O ATOM 265 CB LYS A 17 5.812 -6.809 -6.282 1.00 1.21 C ATOM 266 CG LYS A 17 6.618 -7.625 -7.290 1.00 52.20 C ATOM 267 CD LYS A 17 7.162 -6.749 -8.420 1.00 14.11 C ATOM 268 CE LYS A 17 6.039 -6.064 -9.197 1.00 5.04 C ATOM 269 NZ LYS A 17 6.550 -5.054 -10.163 1.00 22.22 N ATOM 0 H LYS A 17 7.159 -7.458 -4.307 1.00 11.45 H new ATOM 0 HA LYS A 17 7.418 -5.372 -6.137 1.00 44.11 H new ATOM 0 HB2 LYS A 17 5.327 -7.490 -5.583 1.00 1.21 H new ATOM 0 HB3 LYS A 17 5.020 -6.278 -6.810 1.00 1.21 H new ATOM 0 HG2 LYS A 17 7.446 -8.118 -6.780 1.00 52.20 H new ATOM 0 HG3 LYS A 17 5.989 -8.410 -7.709 1.00 52.20 H new ATOM 0 HD2 LYS A 17 7.830 -5.994 -8.005 1.00 14.11 H new ATOM 0 HD3 LYS A 17 7.755 -7.360 -9.101 1.00 14.11 H new ATOM 0 HE2 LYS A 17 5.461 -6.816 -9.734 1.00 5.04 H new ATOM 0 HE3 LYS A 17 5.359 -5.580 -8.496 1.00 5.04 H new ATOM 0 HZ1 LYS A 17 5.750 -4.618 -10.665 1.00 22.22 H new ATOM 0 HZ2 LYS A 17 7.079 -4.320 -9.650 1.00 22.22 H new ATOM 0 HZ3 LYS A 17 7.178 -5.517 -10.850 1.00 22.22 H new ATOM 283 N ALA A 18 4.863 -4.917 -4.073 1.00 53.45 N ATOM 284 CA ALA A 18 3.942 -3.897 -3.568 1.00 43.13 C ATOM 285 C ALA A 18 4.680 -2.796 -2.785 1.00 63.34 C ATOM 286 O ALA A 18 4.474 -1.606 -3.021 1.00 52.20 O ATOM 287 CB ALA A 18 2.866 -4.547 -2.707 1.00 72.23 C ATOM 0 H ALA A 18 4.750 -5.837 -3.647 1.00 53.45 H new ATOM 0 HA ALA A 18 3.469 -3.417 -4.425 1.00 43.13 H new ATOM 0 HB1 ALA A 18 2.185 -3.781 -2.336 1.00 72.23 H new ATOM 0 HB2 ALA A 18 2.309 -5.269 -3.304 1.00 72.23 H new ATOM 0 HB3 ALA A 18 3.333 -5.057 -1.864 1.00 72.23 H new ATOM 293 N LEU A 19 5.553 -3.204 -1.865 1.00 53.40 N ATOM 294 CA LEU A 19 6.296 -2.257 -1.024 1.00 34.42 C ATOM 295 C LEU A 19 7.238 -1.360 -1.851 1.00 41.45 C ATOM 296 O LEU A 19 7.228 -0.133 -1.711 1.00 44.32 O ATOM 297 CB LEU A 19 7.098 -3.027 0.035 1.00 34.30 C ATOM 298 CG LEU A 19 7.895 -2.160 1.027 1.00 22.12 C ATOM 299 CD1 LEU A 19 6.966 -1.251 1.827 1.00 43.02 C ATOM 300 CD2 LEU A 19 8.726 -3.038 1.961 1.00 35.54 C ATOM 0 H LEU A 19 5.766 -4.184 -1.680 1.00 53.40 H new ATOM 0 HA LEU A 19 5.570 -1.604 -0.539 1.00 34.42 H new ATOM 0 HB2 LEU A 19 6.410 -3.655 0.601 1.00 34.30 H new ATOM 0 HB3 LEU A 19 7.792 -3.695 -0.475 1.00 34.30 H new ATOM 0 HG LEU A 19 8.574 -1.528 0.454 1.00 22.12 H new ATOM 0 HD11 LEU A 19 7.554 -0.649 2.520 1.00 43.02 H new ATOM 0 HD12 LEU A 19 6.424 -0.595 1.146 1.00 43.02 H new ATOM 0 HD13 LEU A 19 6.255 -1.859 2.387 1.00 43.02 H new ATOM 0 HD21 LEU A 19 9.282 -2.407 2.654 1.00 35.54 H new ATOM 0 HD22 LEU A 19 8.066 -3.699 2.522 1.00 35.54 H new ATOM 0 HD23 LEU A 19 9.424 -3.635 1.374 1.00 35.54 H new ATOM 312 N LYS A 20 8.035 -1.978 -2.720 1.00 73.35 N ATOM 313 CA LYS A 20 9.065 -1.263 -3.491 1.00 12.43 C ATOM 314 C LYS A 20 8.448 -0.186 -4.402 1.00 34.24 C ATOM 315 O LYS A 20 8.872 0.972 -4.388 1.00 74.52 O ATOM 316 CB LYS A 20 9.878 -2.258 -4.339 1.00 53.42 C ATOM 317 CG LYS A 20 11.342 -1.873 -4.532 1.00 75.54 C ATOM 318 CD LYS A 20 12.108 -1.919 -3.212 1.00 13.02 C ATOM 319 CE LYS A 20 13.603 -1.703 -3.411 1.00 54.44 C ATOM 320 NZ LYS A 20 13.899 -0.386 -4.028 1.00 15.42 N ATOM 0 H LYS A 20 7.991 -2.979 -2.913 1.00 73.35 H new ATOM 0 HA LYS A 20 9.724 -0.765 -2.779 1.00 12.43 H new ATOM 0 HB2 LYS A 20 9.832 -3.240 -3.868 1.00 53.42 H new ATOM 0 HB3 LYS A 20 9.408 -2.352 -5.318 1.00 53.42 H new ATOM 0 HG2 LYS A 20 11.807 -2.551 -5.248 1.00 75.54 H new ATOM 0 HG3 LYS A 20 11.404 -0.871 -4.956 1.00 75.54 H new ATOM 0 HD2 LYS A 20 11.718 -1.155 -2.540 1.00 13.02 H new ATOM 0 HD3 LYS A 20 11.942 -2.882 -2.730 1.00 13.02 H new ATOM 0 HE2 LYS A 20 14.110 -1.775 -2.449 1.00 54.44 H new ATOM 0 HE3 LYS A 20 14.003 -2.497 -4.042 1.00 54.44 H new ATOM 0 HZ1 LYS A 20 14.929 -0.245 -4.068 1.00 15.42 H new ATOM 0 HZ2 LYS A 20 13.508 -0.358 -4.991 1.00 15.42 H new ATOM 0 HZ3 LYS A 20 13.468 0.369 -3.458 1.00 15.42 H new ATOM 334 N GLU A 21 7.438 -0.574 -5.187 1.00 10.21 N ATOM 335 CA GLU A 21 6.780 0.351 -6.123 1.00 30.33 C ATOM 336 C GLU A 21 6.106 1.528 -5.393 1.00 71.04 C ATOM 337 O GLU A 21 6.228 2.682 -5.814 1.00 64.34 O ATOM 338 CB GLU A 21 5.751 -0.402 -6.982 1.00 73.11 C ATOM 339 CG GLU A 21 6.362 -1.458 -7.904 1.00 64.01 C ATOM 340 CD GLU A 21 7.347 -0.871 -8.908 1.00 71.51 C ATOM 341 OE1 GLU A 21 6.907 -0.145 -9.826 1.00 14.10 O ATOM 342 OE2 GLU A 21 8.563 -1.142 -8.796 1.00 0.33 O ATOM 0 H GLU A 21 7.057 -1.520 -5.195 1.00 10.21 H new ATOM 0 HA GLU A 21 7.553 0.766 -6.769 1.00 30.33 H new ATOM 0 HB2 GLU A 21 5.027 -0.884 -6.324 1.00 73.11 H new ATOM 0 HB3 GLU A 21 5.201 0.319 -7.587 1.00 73.11 H new ATOM 0 HG2 GLU A 21 6.871 -2.209 -7.300 1.00 64.01 H new ATOM 0 HG3 GLU A 21 5.564 -1.969 -8.442 1.00 64.01 H new ATOM 349 N MET A 22 5.405 1.239 -4.291 1.00 62.43 N ATOM 350 CA MET A 22 4.752 2.291 -3.497 1.00 32.22 C ATOM 351 C MET A 22 5.778 3.308 -2.970 1.00 64.35 C ATOM 352 O MET A 22 5.565 4.518 -3.059 1.00 21.01 O ATOM 353 CB MET A 22 3.955 1.685 -2.332 1.00 62.41 C ATOM 354 CG MET A 22 2.746 0.869 -2.780 1.00 15.13 C ATOM 355 SD MET A 22 1.556 1.843 -3.729 1.00 21.35 S ATOM 356 CE MET A 22 1.007 3.025 -2.498 1.00 61.11 C ATOM 0 H MET A 22 5.275 0.294 -3.929 1.00 62.43 H new ATOM 0 HA MET A 22 4.059 2.816 -4.154 1.00 32.22 H new ATOM 0 HB2 MET A 22 4.615 1.048 -1.743 1.00 62.41 H new ATOM 0 HB3 MET A 22 3.618 2.488 -1.676 1.00 62.41 H new ATOM 0 HG2 MET A 22 3.085 0.028 -3.385 1.00 15.13 H new ATOM 0 HG3 MET A 22 2.250 0.452 -1.904 1.00 15.13 H new ATOM 0 HE1 MET A 22 0.096 3.513 -2.843 1.00 61.11 H new ATOM 0 HE2 MET A 22 0.808 2.507 -1.560 1.00 61.11 H new ATOM 0 HE3 MET A 22 1.783 3.774 -2.342 1.00 61.11 H new ATOM 366 N ILE A 23 6.896 2.814 -2.436 1.00 2.45 N ATOM 367 CA ILE A 23 7.985 3.690 -1.979 1.00 50.50 C ATOM 368 C ILE A 23 8.583 4.481 -3.154 1.00 74.01 C ATOM 369 O ILE A 23 8.857 5.676 -3.039 1.00 51.24 O ATOM 370 CB ILE A 23 9.114 2.886 -1.282 1.00 65.14 C ATOM 371 CG1 ILE A 23 8.575 2.175 -0.029 1.00 32.33 C ATOM 372 CG2 ILE A 23 10.289 3.800 -0.923 1.00 53.32 C ATOM 373 CD1 ILE A 23 9.613 1.350 0.707 1.00 52.24 C ATOM 0 H ILE A 23 7.074 1.818 -2.308 1.00 2.45 H new ATOM 0 HA ILE A 23 7.551 4.382 -1.257 1.00 50.50 H new ATOM 0 HB ILE A 23 9.475 2.128 -1.978 1.00 65.14 H new ATOM 0 HG12 ILE A 23 8.169 2.922 0.653 1.00 32.33 H new ATOM 0 HG13 ILE A 23 7.749 1.526 -0.319 1.00 32.33 H new ATOM 0 HG21 ILE A 23 11.069 3.215 -0.435 1.00 53.32 H new ATOM 0 HG22 ILE A 23 10.689 4.252 -1.831 1.00 53.32 H new ATOM 0 HG23 ILE A 23 9.947 4.584 -0.247 1.00 53.32 H new ATOM 0 HD11 ILE A 23 9.155 0.881 1.578 1.00 52.24 H new ATOM 0 HD12 ILE A 23 10.003 0.579 0.043 1.00 52.24 H new ATOM 0 HD13 ILE A 23 10.429 1.996 1.030 1.00 52.24 H new ATOM 385 N ARG A 24 8.773 3.799 -4.283 1.00 71.51 N ATOM 386 CA ARG A 24 9.343 4.411 -5.491 1.00 45.00 C ATOM 387 C ARG A 24 8.509 5.626 -5.946 1.00 41.43 C ATOM 388 O ARG A 24 9.056 6.634 -6.402 1.00 64.40 O ATOM 389 CB ARG A 24 9.435 3.349 -6.605 1.00 32.04 C ATOM 390 CG ARG A 24 10.226 3.770 -7.849 1.00 10.41 C ATOM 391 CD ARG A 24 9.373 4.522 -8.868 1.00 31.44 C ATOM 392 NE ARG A 24 10.141 4.881 -10.057 1.00 31.32 N ATOM 393 CZ ARG A 24 9.940 4.378 -11.243 1.00 31.44 C ATOM 394 NH1 ARG A 24 9.013 3.498 -11.440 1.00 70.24 N ATOM 395 NH2 ARG A 24 10.671 4.763 -12.234 1.00 65.41 N ATOM 0 H ARG A 24 8.539 2.812 -4.390 1.00 71.51 H new ATOM 0 HA ARG A 24 10.345 4.777 -5.266 1.00 45.00 H new ATOM 0 HB2 ARG A 24 9.893 2.451 -6.191 1.00 32.04 H new ATOM 0 HB3 ARG A 24 8.424 3.080 -6.912 1.00 32.04 H new ATOM 0 HG2 ARG A 24 11.062 4.401 -7.546 1.00 10.41 H new ATOM 0 HG3 ARG A 24 10.650 2.884 -8.321 1.00 10.41 H new ATOM 0 HD2 ARG A 24 8.523 3.904 -9.157 1.00 31.44 H new ATOM 0 HD3 ARG A 24 8.970 5.425 -8.409 1.00 31.44 H new ATOM 0 HE ARG A 24 10.884 5.571 -9.953 1.00 31.32 H new ATOM 0 HH11 ARG A 24 8.429 3.190 -10.663 1.00 70.24 H new ATOM 0 HH12 ARG A 24 8.866 3.112 -12.373 1.00 70.24 H new ATOM 0 HH21 ARG A 24 11.403 5.458 -12.088 1.00 65.41 H new ATOM 0 HH22 ARG A 24 10.517 4.372 -13.163 1.00 65.41 H new ATOM 409 N GLN A 25 7.185 5.517 -5.841 1.00 2.13 N ATOM 410 CA GLN A 25 6.286 6.643 -6.135 1.00 13.21 C ATOM 411 C GLN A 25 6.281 7.691 -5.004 1.00 40.20 C ATOM 412 O GLN A 25 6.457 8.883 -5.250 1.00 34.40 O ATOM 413 CB GLN A 25 4.856 6.134 -6.391 1.00 72.24 C ATOM 414 CG GLN A 25 4.719 5.296 -7.660 1.00 45.43 C ATOM 415 CD GLN A 25 5.084 6.069 -8.918 1.00 4.31 C ATOM 416 OE1 GLN A 25 6.342 6.017 -9.305 1.00 43.43 O flip ATOM 417 NE2 GLN A 25 4.245 6.711 -9.538 1.00 2.22 N flip ATOM 0 H GLN A 25 6.707 4.663 -5.555 1.00 2.13 H new ATOM 0 HA GLN A 25 6.662 7.131 -7.034 1.00 13.21 H new ATOM 0 HB2 GLN A 25 4.534 5.538 -5.537 1.00 72.24 H new ATOM 0 HB3 GLN A 25 4.182 6.988 -6.456 1.00 72.24 H new ATOM 0 HG2 GLN A 25 5.359 4.417 -7.581 1.00 45.43 H new ATOM 0 HG3 GLN A 25 3.693 4.937 -7.744 1.00 45.43 H new ATOM 0 HE21 GLN A 25 3.278 6.733 -9.214 1.00 2.22 H new ATOM 0 HE22 GLN A 25 4.513 7.224 -10.378 1.00 2.22 H new ATOM 426 N ALA A 26 6.092 7.233 -3.765 1.00 30.44 N ATOM 427 CA ALA A 26 5.959 8.133 -2.605 1.00 75.13 C ATOM 428 C ALA A 26 7.202 9.012 -2.380 1.00 73.03 C ATOM 429 O ALA A 26 7.082 10.189 -2.032 1.00 24.33 O ATOM 430 CB ALA A 26 5.648 7.325 -1.351 1.00 73.43 C ATOM 0 H ALA A 26 6.027 6.242 -3.533 1.00 30.44 H new ATOM 0 HA ALA A 26 5.133 8.811 -2.822 1.00 75.13 H new ATOM 0 HB1 ALA A 26 5.551 7.998 -0.499 1.00 73.43 H new ATOM 0 HB2 ALA A 26 4.714 6.781 -1.491 1.00 73.43 H new ATOM 0 HB3 ALA A 26 6.456 6.617 -1.165 1.00 73.43 H new ATOM 436 N ARG A 27 8.392 8.443 -2.589 1.00 62.44 N ATOM 437 CA ARG A 27 9.655 9.178 -2.411 1.00 41.43 C ATOM 438 C ARG A 27 9.704 10.444 -3.283 1.00 34.42 C ATOM 439 O ARG A 27 10.424 11.393 -2.974 1.00 54.54 O ATOM 440 CB ARG A 27 10.864 8.273 -2.706 1.00 61.10 C ATOM 441 CG ARG A 27 10.939 7.761 -4.149 1.00 64.54 C ATOM 442 CD ARG A 27 12.178 8.267 -4.888 1.00 33.52 C ATOM 443 NE ARG A 27 12.194 9.726 -5.014 1.00 43.44 N ATOM 444 CZ ARG A 27 12.663 10.371 -6.049 1.00 32.23 C ATOM 445 NH1 ARG A 27 13.194 9.735 -7.045 1.00 15.44 N ATOM 446 NH2 ARG A 27 12.609 11.662 -6.081 1.00 12.20 N ATOM 0 H ARG A 27 8.511 7.473 -2.882 1.00 62.44 H new ATOM 0 HA ARG A 27 9.703 9.491 -1.368 1.00 41.43 H new ATOM 0 HB2 ARG A 27 11.777 8.824 -2.482 1.00 61.10 H new ATOM 0 HB3 ARG A 27 10.834 7.417 -2.032 1.00 61.10 H new ATOM 0 HG2 ARG A 27 10.943 6.671 -4.144 1.00 64.54 H new ATOM 0 HG3 ARG A 27 10.045 8.074 -4.689 1.00 64.54 H new ATOM 0 HD2 ARG A 27 13.073 7.941 -4.358 1.00 33.52 H new ATOM 0 HD3 ARG A 27 12.214 7.819 -5.881 1.00 33.52 H new ATOM 0 HE ARG A 27 11.814 10.275 -4.243 1.00 43.44 H new ATOM 0 HH11 ARG A 27 13.250 8.717 -7.028 1.00 15.44 H new ATOM 0 HH12 ARG A 27 13.556 10.253 -7.846 1.00 15.44 H new ATOM 0 HH21 ARG A 27 12.201 12.175 -5.299 1.00 12.20 H new ATOM 0 HH22 ARG A 27 12.974 12.168 -6.888 1.00 12.20 H new ATOM 460 N LYS A 28 8.977 10.426 -4.401 1.00 15.34 N ATOM 461 CA LYS A 28 8.859 11.597 -5.281 1.00 74.51 C ATOM 462 C LYS A 28 8.366 12.829 -4.500 1.00 10.15 C ATOM 463 O LYS A 28 8.747 13.963 -4.791 1.00 70.01 O ATOM 464 CB LYS A 28 7.882 11.287 -6.422 1.00 60.03 C ATOM 465 CG LYS A 28 7.793 12.369 -7.495 1.00 62.31 C ATOM 466 CD LYS A 28 6.651 12.103 -8.476 1.00 30.32 C ATOM 467 CE LYS A 28 6.717 10.702 -9.082 1.00 52.25 C ATOM 468 NZ LYS A 28 7.951 10.488 -9.885 1.00 32.43 N ATOM 0 H LYS A 28 8.457 9.610 -4.723 1.00 15.34 H new ATOM 0 HA LYS A 28 9.845 11.821 -5.688 1.00 74.51 H new ATOM 0 HB2 LYS A 28 8.180 10.350 -6.893 1.00 60.03 H new ATOM 0 HB3 LYS A 28 6.889 11.130 -6.000 1.00 60.03 H new ATOM 0 HG2 LYS A 28 7.646 13.340 -7.021 1.00 62.31 H new ATOM 0 HG3 LYS A 28 8.736 12.419 -8.040 1.00 62.31 H new ATOM 0 HD2 LYS A 28 5.698 12.229 -7.962 1.00 30.32 H new ATOM 0 HD3 LYS A 28 6.683 12.843 -9.275 1.00 30.32 H new ATOM 0 HE2 LYS A 28 6.674 9.961 -8.283 1.00 52.25 H new ATOM 0 HE3 LYS A 28 5.843 10.541 -9.714 1.00 52.25 H new ATOM 0 HZ1 LYS A 28 7.949 9.524 -10.274 1.00 32.43 H new ATOM 0 HZ2 LYS A 28 7.982 11.176 -10.664 1.00 32.43 H new ATOM 0 HZ3 LYS A 28 8.786 10.614 -9.278 1.00 32.43 H new ATOM 482 N PHE A 29 7.523 12.585 -3.498 1.00 61.33 N ATOM 483 CA PHE A 29 6.944 13.654 -2.675 1.00 3.03 C ATOM 484 C PHE A 29 7.484 13.603 -1.235 1.00 32.33 C ATOM 485 O PHE A 29 8.447 12.892 -0.942 1.00 3.23 O ATOM 486 CB PHE A 29 5.412 13.521 -2.655 1.00 34.21 C ATOM 487 CG PHE A 29 4.788 13.443 -4.028 1.00 41.33 C ATOM 488 CD1 PHE A 29 4.641 14.583 -4.803 1.00 72.13 C ATOM 489 CD2 PHE A 29 4.352 12.228 -4.542 1.00 23.03 C ATOM 490 CE1 PHE A 29 4.069 14.514 -6.059 1.00 71.34 C ATOM 491 CE2 PHE A 29 3.780 12.157 -5.799 1.00 32.42 C ATOM 492 CZ PHE A 29 3.640 13.301 -6.556 1.00 44.23 C ATOM 0 H PHE A 29 7.221 11.648 -3.232 1.00 61.33 H new ATOM 0 HA PHE A 29 7.227 14.611 -3.113 1.00 3.03 H new ATOM 0 HB2 PHE A 29 5.142 12.627 -2.092 1.00 34.21 H new ATOM 0 HB3 PHE A 29 4.990 14.373 -2.122 1.00 34.21 H new ATOM 0 HD1 PHE A 29 4.977 15.536 -4.421 1.00 72.13 H new ATOM 0 HD2 PHE A 29 4.461 11.329 -3.953 1.00 23.03 H new ATOM 0 HE1 PHE A 29 3.958 15.410 -6.652 1.00 71.34 H new ATOM 0 HE2 PHE A 29 3.443 11.207 -6.187 1.00 32.42 H new ATOM 0 HZ PHE A 29 3.194 13.247 -7.538 1.00 44.23 H new ATOM 502 N ALA A 30 6.856 14.363 -0.339 1.00 22.33 N ATOM 503 CA ALA A 30 7.215 14.352 1.087 1.00 14.52 C ATOM 504 C ALA A 30 6.518 13.205 1.843 1.00 63.02 C ATOM 505 O ALA A 30 6.452 13.205 3.074 1.00 62.11 O ATOM 506 CB ALA A 30 6.859 15.695 1.717 1.00 73.52 C ATOM 0 H ALA A 30 6.093 14.998 -0.572 1.00 22.33 H new ATOM 0 HA ALA A 30 8.290 14.186 1.163 1.00 14.52 H new ATOM 0 HB1 ALA A 30 7.126 15.683 2.774 1.00 73.52 H new ATOM 0 HB2 ALA A 30 7.408 16.490 1.213 1.00 73.52 H new ATOM 0 HB3 ALA A 30 5.788 15.872 1.616 1.00 73.52 H new ATOM 512 N GLY A 31 6.013 12.224 1.099 1.00 45.05 N ATOM 513 CA GLY A 31 5.308 11.098 1.701 1.00 1.25 C ATOM 514 C GLY A 31 6.243 10.026 2.256 1.00 21.15 C ATOM 515 O GLY A 31 6.878 9.294 1.499 1.00 31.42 O ATOM 0 H GLY A 31 6.079 12.187 0.082 1.00 45.05 H new ATOM 0 HA2 GLY A 31 4.670 11.466 2.505 1.00 1.25 H new ATOM 0 HA3 GLY A 31 4.653 10.648 0.955 1.00 1.25 H new ATOM 519 N THR A 32 6.324 9.937 3.579 1.00 32.15 N ATOM 520 CA THR A 32 7.178 8.941 4.239 1.00 72.14 C ATOM 521 C THR A 32 6.467 7.581 4.332 1.00 5.12 C ATOM 522 O THR A 32 5.294 7.514 4.690 1.00 44.44 O ATOM 523 CB THR A 32 7.574 9.400 5.662 1.00 35.42 C ATOM 524 OG1 THR A 32 8.171 10.706 5.613 1.00 30.21 O ATOM 525 CG2 THR A 32 8.551 8.423 6.305 1.00 35.31 C ATOM 0 H THR A 32 5.810 10.541 4.221 1.00 32.15 H new ATOM 0 HA THR A 32 8.078 8.838 3.633 1.00 72.14 H new ATOM 0 HB THR A 32 6.667 9.433 6.265 1.00 35.42 H new ATOM 0 HG1 THR A 32 8.416 10.988 6.519 1.00 30.21 H new ATOM 0 HG21 THR A 32 8.811 8.773 7.304 1.00 35.31 H new ATOM 0 HG22 THR A 32 8.089 7.438 6.374 1.00 35.31 H new ATOM 0 HG23 THR A 32 9.454 8.358 5.697 1.00 35.31 H new ATOM 533 N VAL A 33 7.179 6.498 4.019 1.00 71.00 N ATOM 534 CA VAL A 33 6.582 5.154 4.016 1.00 41.32 C ATOM 535 C VAL A 33 7.168 4.253 5.119 1.00 61.21 C ATOM 536 O VAL A 33 8.382 4.064 5.205 1.00 64.10 O ATOM 537 CB VAL A 33 6.780 4.457 2.645 1.00 21.33 C ATOM 538 CG1 VAL A 33 6.093 3.089 2.623 1.00 51.23 C ATOM 539 CG2 VAL A 33 6.267 5.343 1.510 1.00 42.13 C ATOM 0 H VAL A 33 8.167 6.520 3.765 1.00 71.00 H new ATOM 0 HA VAL A 33 5.518 5.294 4.209 1.00 41.32 H new ATOM 0 HB VAL A 33 7.848 4.298 2.496 1.00 21.33 H new ATOM 0 HG11 VAL A 33 6.246 2.620 1.651 1.00 51.23 H new ATOM 0 HG12 VAL A 33 6.518 2.456 3.402 1.00 51.23 H new ATOM 0 HG13 VAL A 33 5.025 3.215 2.800 1.00 51.23 H new ATOM 0 HG21 VAL A 33 6.415 4.836 0.557 1.00 42.13 H new ATOM 0 HG22 VAL A 33 5.205 5.541 1.654 1.00 42.13 H new ATOM 0 HG23 VAL A 33 6.815 6.285 1.508 1.00 42.13 H new ATOM 549 N THR A 34 6.290 3.699 5.951 1.00 1.00 N ATOM 550 CA THR A 34 6.673 2.715 6.977 1.00 3.52 C ATOM 551 C THR A 34 5.890 1.409 6.786 1.00 61.13 C ATOM 552 O THR A 34 4.781 1.418 6.252 1.00 55.24 O ATOM 553 CB THR A 34 6.430 3.247 8.412 1.00 50.32 C ATOM 554 OG1 THR A 34 6.668 2.210 9.380 1.00 5.25 O ATOM 555 CG2 THR A 34 5.010 3.782 8.572 1.00 21.13 C ATOM 0 H THR A 34 5.293 3.915 5.939 1.00 1.00 H new ATOM 0 HA THR A 34 7.740 2.530 6.856 1.00 3.52 H new ATOM 0 HB THR A 34 7.128 4.066 8.582 1.00 50.32 H new ATOM 0 HG1 THR A 34 6.512 2.562 10.281 1.00 5.25 H new ATOM 0 HG21 THR A 34 4.871 4.148 9.589 1.00 21.13 H new ATOM 0 HG22 THR A 34 4.847 4.598 7.868 1.00 21.13 H new ATOM 0 HG23 THR A 34 4.296 2.983 8.373 1.00 21.13 H new ATOM 563 N TYR A 35 6.463 0.285 7.211 1.00 2.40 N ATOM 564 CA TYR A 35 5.810 -1.016 7.025 1.00 12.34 C ATOM 565 C TYR A 35 6.069 -1.974 8.200 1.00 14.41 C ATOM 566 O TYR A 35 7.162 -2.008 8.764 1.00 71.32 O ATOM 567 CB TYR A 35 6.267 -1.657 5.704 1.00 14.44 C ATOM 568 CG TYR A 35 7.742 -2.020 5.654 1.00 60.03 C ATOM 569 CD1 TYR A 35 8.709 -1.058 5.381 1.00 51.34 C ATOM 570 CD2 TYR A 35 8.163 -3.329 5.863 1.00 21.53 C ATOM 571 CE1 TYR A 35 10.050 -1.392 5.325 1.00 63.43 C ATOM 572 CE2 TYR A 35 9.499 -3.669 5.807 1.00 55.35 C ATOM 573 CZ TYR A 35 10.439 -2.699 5.536 1.00 32.13 C ATOM 574 OH TYR A 35 11.774 -3.039 5.471 1.00 2.44 O ATOM 0 H TYR A 35 7.367 0.244 7.681 1.00 2.40 H new ATOM 0 HA TYR A 35 4.736 -0.835 6.988 1.00 12.34 H new ATOM 0 HB2 TYR A 35 5.679 -2.558 5.530 1.00 14.44 H new ATOM 0 HB3 TYR A 35 6.047 -0.970 4.887 1.00 14.44 H new ATOM 0 HD1 TYR A 35 8.408 -0.035 5.210 1.00 51.34 H new ATOM 0 HD2 TYR A 35 7.430 -4.094 6.073 1.00 21.53 H new ATOM 0 HE1 TYR A 35 10.790 -0.633 5.117 1.00 63.43 H new ATOM 0 HE2 TYR A 35 9.806 -4.691 5.975 1.00 55.35 H new ATOM 0 HH TYR A 35 11.876 -3.998 5.645 1.00 2.44 H new ATOM 584 N THR A 36 5.047 -2.745 8.569 1.00 61.12 N ATOM 585 CA THR A 36 5.163 -3.756 9.630 1.00 54.40 C ATOM 586 C THR A 36 4.531 -5.088 9.198 1.00 15.13 C ATOM 587 O THR A 36 3.452 -5.112 8.615 1.00 5.22 O ATOM 588 CB THR A 36 4.490 -3.286 10.947 1.00 33.22 C ATOM 589 OG1 THR A 36 3.109 -2.955 10.720 1.00 14.03 O ATOM 590 CG2 THR A 36 5.210 -2.073 11.535 1.00 65.21 C ATOM 0 H THR A 36 4.120 -2.691 8.147 1.00 61.12 H new ATOM 0 HA THR A 36 6.229 -3.899 9.808 1.00 54.40 H new ATOM 0 HB THR A 36 4.553 -4.110 11.658 1.00 33.22 H new ATOM 0 HG1 THR A 36 2.551 -3.741 10.897 1.00 14.03 H new ATOM 0 HG21 THR A 36 4.715 -1.768 12.457 1.00 65.21 H new ATOM 0 HG22 THR A 36 6.247 -2.334 11.749 1.00 65.21 H new ATOM 0 HG23 THR A 36 5.183 -1.251 10.819 1.00 65.21 H new ATOM 598 N LEU A 37 5.221 -6.195 9.470 1.00 44.33 N ATOM 599 CA LEU A 37 4.718 -7.535 9.119 1.00 23.33 C ATOM 600 C LEU A 37 3.829 -8.114 10.233 1.00 61.43 C ATOM 601 O LEU A 37 4.234 -8.163 11.399 1.00 54.33 O ATOM 602 CB LEU A 37 5.890 -8.500 8.846 1.00 22.22 C ATOM 603 CG LEU A 37 6.597 -8.332 7.489 1.00 41.15 C ATOM 604 CD1 LEU A 37 5.613 -8.542 6.342 1.00 60.41 C ATOM 605 CD2 LEU A 37 7.276 -6.969 7.383 1.00 11.24 C ATOM 0 H LEU A 37 6.130 -6.197 9.932 1.00 44.33 H new ATOM 0 HA LEU A 37 4.117 -7.428 8.216 1.00 23.33 H new ATOM 0 HB2 LEU A 37 6.630 -8.376 9.637 1.00 22.22 H new ATOM 0 HB3 LEU A 37 5.518 -9.522 8.916 1.00 22.22 H new ATOM 0 HG LEU A 37 7.374 -9.093 7.418 1.00 41.15 H new ATOM 0 HD11 LEU A 37 6.131 -8.419 5.391 1.00 60.41 H new ATOM 0 HD12 LEU A 37 5.195 -9.547 6.400 1.00 60.41 H new ATOM 0 HD13 LEU A 37 4.809 -7.810 6.414 1.00 60.41 H new ATOM 0 HD21 LEU A 37 7.766 -6.881 6.413 1.00 11.24 H new ATOM 0 HD22 LEU A 37 6.529 -6.182 7.485 1.00 11.24 H new ATOM 0 HD23 LEU A 37 8.018 -6.870 8.175 1.00 11.24 H new ATOM 617 N ASP A 38 2.622 -8.552 9.875 1.00 33.14 N ATOM 618 CA ASP A 38 1.709 -9.166 10.844 1.00 43.53 C ATOM 619 C ASP A 38 1.287 -10.580 10.409 1.00 74.31 C ATOM 620 O ASP A 38 0.352 -10.753 9.625 1.00 52.11 O ATOM 621 CB ASP A 38 0.475 -8.280 11.053 1.00 4.33 C ATOM 622 CG ASP A 38 -0.464 -8.833 12.113 1.00 73.20 C ATOM 623 OD1 ASP A 38 -0.028 -8.993 13.273 1.00 32.25 O ATOM 624 OD2 ASP A 38 -1.641 -9.119 11.795 1.00 33.12 O ATOM 0 H ASP A 38 2.253 -8.494 8.926 1.00 33.14 H new ATOM 0 HA ASP A 38 2.243 -9.257 11.790 1.00 43.53 H new ATOM 0 HB2 ASP A 38 0.795 -7.279 11.342 1.00 4.33 H new ATOM 0 HB3 ASP A 38 -0.063 -8.183 10.110 1.00 4.33 H new ATOM 629 N GLY A 39 2.006 -11.588 10.899 1.00 55.03 N ATOM 630 CA GLY A 39 1.636 -12.976 10.646 1.00 4.32 C ATOM 631 C GLY A 39 1.885 -13.426 9.207 1.00 21.22 C ATOM 632 O GLY A 39 2.842 -14.152 8.933 1.00 73.43 O ATOM 0 H GLY A 39 2.843 -11.469 11.470 1.00 55.03 H new ATOM 0 HA2 GLY A 39 2.198 -13.621 11.321 1.00 4.32 H new ATOM 0 HA3 GLY A 39 0.580 -13.110 10.882 1.00 4.32 H new ATOM 636 N ASN A 40 1.025 -12.998 8.284 1.00 5.41 N ATOM 637 CA ASN A 40 1.113 -13.435 6.885 1.00 62.04 C ATOM 638 C ASN A 40 0.838 -12.292 5.892 1.00 73.13 C ATOM 639 O ASN A 40 0.677 -12.530 4.694 1.00 52.15 O ATOM 640 CB ASN A 40 0.130 -14.588 6.649 1.00 43.15 C ATOM 641 CG ASN A 40 -1.297 -14.217 7.011 1.00 62.14 C ATOM 642 OD1 ASN A 40 -2.066 -13.769 6.174 1.00 32.22 O ATOM 643 ND2 ASN A 40 -1.660 -14.392 8.268 1.00 55.33 N ATOM 0 H ASN A 40 0.260 -12.351 8.475 1.00 5.41 H new ATOM 0 HA ASN A 40 2.135 -13.770 6.707 1.00 62.04 H new ATOM 0 HB2 ASN A 40 0.170 -14.887 5.602 1.00 43.15 H new ATOM 0 HB3 ASN A 40 0.439 -15.451 7.239 1.00 43.15 H new ATOM 0 HD21 ASN A 40 -2.606 -14.151 8.564 1.00 55.33 H new ATOM 0 HD22 ASN A 40 -0.995 -14.768 8.943 1.00 55.33 H new ATOM 650 N ASP A 41 0.795 -11.053 6.382 1.00 40.40 N ATOM 651 CA ASP A 41 0.551 -9.898 5.508 1.00 23.33 C ATOM 652 C ASP A 41 1.466 -8.705 5.841 1.00 2.14 C ATOM 653 O ASP A 41 2.034 -8.615 6.935 1.00 4.13 O ATOM 654 CB ASP A 41 -0.921 -9.477 5.570 1.00 75.22 C ATOM 655 CG ASP A 41 -1.347 -8.998 6.941 1.00 2.21 C ATOM 656 OD1 ASP A 41 -1.144 -7.810 7.250 1.00 44.53 O ATOM 657 OD2 ASP A 41 -1.910 -9.804 7.708 1.00 53.24 O ATOM 0 H ASP A 41 0.924 -10.821 7.367 1.00 40.40 H new ATOM 0 HA ASP A 41 0.790 -10.212 4.492 1.00 23.33 H new ATOM 0 HB2 ASP A 41 -1.096 -8.683 4.844 1.00 75.22 H new ATOM 0 HB3 ASP A 41 -1.546 -10.320 5.276 1.00 75.22 H new ATOM 662 N LEU A 42 1.610 -7.800 4.873 1.00 24.03 N ATOM 663 CA LEU A 42 2.460 -6.612 5.024 1.00 2.21 C ATOM 664 C LEU A 42 1.626 -5.333 5.223 1.00 60.41 C ATOM 665 O LEU A 42 0.835 -4.955 4.357 1.00 13.20 O ATOM 666 CB LEU A 42 3.359 -6.458 3.786 1.00 43.12 C ATOM 667 CG LEU A 42 4.246 -5.199 3.761 1.00 35.00 C ATOM 668 CD1 LEU A 42 5.181 -5.166 4.968 1.00 64.34 C ATOM 669 CD2 LEU A 42 5.039 -5.122 2.458 1.00 1.41 C ATOM 0 H LEU A 42 1.146 -7.866 3.967 1.00 24.03 H new ATOM 0 HA LEU A 42 3.073 -6.751 5.915 1.00 2.21 H new ATOM 0 HB2 LEU A 42 4.002 -7.335 3.715 1.00 43.12 H new ATOM 0 HB3 LEU A 42 2.727 -6.453 2.898 1.00 43.12 H new ATOM 0 HG LEU A 42 3.595 -4.326 3.816 1.00 35.00 H new ATOM 0 HD11 LEU A 42 5.797 -4.267 4.927 1.00 64.34 H new ATOM 0 HD12 LEU A 42 4.592 -5.160 5.885 1.00 64.34 H new ATOM 0 HD13 LEU A 42 5.823 -6.047 4.955 1.00 64.34 H new ATOM 0 HD21 LEU A 42 5.659 -4.225 2.462 1.00 1.41 H new ATOM 0 HD22 LEU A 42 5.675 -6.002 2.367 1.00 1.41 H new ATOM 0 HD23 LEU A 42 4.350 -5.083 1.614 1.00 1.41 H new ATOM 681 N GLU A 43 1.815 -4.673 6.364 1.00 14.32 N ATOM 682 CA GLU A 43 1.126 -3.410 6.662 1.00 44.30 C ATOM 683 C GLU A 43 1.957 -2.199 6.200 1.00 63.31 C ATOM 684 O GLU A 43 2.940 -1.832 6.840 1.00 31.31 O ATOM 685 CB GLU A 43 0.866 -3.298 8.174 1.00 43.41 C ATOM 686 CG GLU A 43 0.186 -4.520 8.781 1.00 63.25 C ATOM 687 CD GLU A 43 -0.024 -4.386 10.282 1.00 31.13 C ATOM 688 OE1 GLU A 43 -1.069 -3.838 10.696 1.00 54.45 O ATOM 689 OE2 GLU A 43 0.862 -4.813 11.055 1.00 64.03 O ATOM 0 H GLU A 43 2.442 -4.990 7.103 1.00 14.32 H new ATOM 0 HA GLU A 43 0.180 -3.410 6.121 1.00 44.30 H new ATOM 0 HB2 GLU A 43 1.815 -3.133 8.684 1.00 43.41 H new ATOM 0 HB3 GLU A 43 0.247 -2.421 8.361 1.00 43.41 H new ATOM 0 HG2 GLU A 43 -0.777 -4.674 8.295 1.00 63.25 H new ATOM 0 HG3 GLU A 43 0.790 -5.405 8.580 1.00 63.25 H new ATOM 696 N ILE A 44 1.558 -1.587 5.088 1.00 62.54 N ATOM 697 CA ILE A 44 2.254 -0.409 4.548 1.00 11.11 C ATOM 698 C ILE A 44 1.494 0.890 4.862 1.00 10.32 C ATOM 699 O ILE A 44 0.427 1.144 4.304 1.00 43.15 O ATOM 700 CB ILE A 44 2.432 -0.522 3.011 1.00 30.51 C ATOM 701 CG1 ILE A 44 3.176 -1.816 2.647 1.00 74.10 C ATOM 702 CG2 ILE A 44 3.176 0.697 2.460 1.00 15.31 C ATOM 703 CD1 ILE A 44 3.334 -2.033 1.156 1.00 20.23 C ATOM 0 H ILE A 44 0.753 -1.885 4.537 1.00 62.54 H new ATOM 0 HA ILE A 44 3.232 -0.376 5.029 1.00 11.11 H new ATOM 0 HB ILE A 44 1.442 -0.553 2.555 1.00 30.51 H new ATOM 0 HG12 ILE A 44 4.163 -1.798 3.109 1.00 74.10 H new ATOM 0 HG13 ILE A 44 2.640 -2.664 3.073 1.00 74.10 H new ATOM 0 HG21 ILE A 44 3.290 0.597 1.381 1.00 15.31 H new ATOM 0 HG22 ILE A 44 2.609 1.601 2.683 1.00 15.31 H new ATOM 0 HG23 ILE A 44 4.160 0.763 2.924 1.00 15.31 H new ATOM 0 HD11 ILE A 44 3.869 -2.966 0.979 1.00 20.23 H new ATOM 0 HD12 ILE A 44 2.350 -2.084 0.689 1.00 20.23 H new ATOM 0 HD13 ILE A 44 3.897 -1.205 0.725 1.00 20.23 H new ATOM 715 N ARG A 45 2.044 1.710 5.750 1.00 62.43 N ATOM 716 CA ARG A 45 1.428 2.997 6.099 1.00 0.24 C ATOM 717 C ARG A 45 2.259 4.181 5.585 1.00 4.24 C ATOM 718 O ARG A 45 3.454 4.289 5.866 1.00 4.24 O ATOM 719 CB ARG A 45 1.232 3.102 7.615 1.00 72.03 C ATOM 720 CG ARG A 45 0.774 4.484 8.082 1.00 3.34 C ATOM 721 CD ARG A 45 0.353 4.479 9.546 1.00 63.30 C ATOM 722 NE ARG A 45 1.387 3.928 10.425 1.00 54.04 N ATOM 723 CZ ARG A 45 1.169 2.985 11.306 1.00 51.00 C ATOM 724 NH1 ARG A 45 0.014 2.402 11.376 1.00 61.00 N ATOM 725 NH2 ARG A 45 2.121 2.592 12.088 1.00 41.35 N ATOM 0 H ARG A 45 2.914 1.512 6.244 1.00 62.43 H new ATOM 0 HA ARG A 45 0.454 3.040 5.611 1.00 0.24 H new ATOM 0 HB2 ARG A 45 0.498 2.360 7.930 1.00 72.03 H new ATOM 0 HB3 ARG A 45 2.170 2.853 8.112 1.00 72.03 H new ATOM 0 HG2 ARG A 45 1.582 5.202 7.939 1.00 3.34 H new ATOM 0 HG3 ARG A 45 -0.061 4.817 7.465 1.00 3.34 H new ATOM 0 HD2 ARG A 45 0.121 5.497 9.857 1.00 63.30 H new ATOM 0 HD3 ARG A 45 -0.561 3.896 9.656 1.00 63.30 H new ATOM 0 HE ARG A 45 2.333 4.301 10.346 1.00 54.04 H new ATOM 0 HH11 ARG A 45 -0.735 2.677 10.741 1.00 61.00 H new ATOM 0 HH12 ARG A 45 -0.146 1.668 12.066 1.00 61.00 H new ATOM 0 HH21 ARG A 45 3.046 3.017 12.019 1.00 41.35 H new ATOM 0 HH22 ARG A 45 1.947 1.857 12.773 1.00 41.35 H new ATOM 739 N ILE A 46 1.619 5.070 4.832 1.00 62.14 N ATOM 740 CA ILE A 46 2.293 6.257 4.296 1.00 13.11 C ATOM 741 C ILE A 46 1.818 7.531 5.022 1.00 61.20 C ATOM 742 O ILE A 46 0.631 7.684 5.314 1.00 52.31 O ATOM 743 CB ILE A 46 2.048 6.403 2.772 1.00 54.31 C ATOM 744 CG1 ILE A 46 2.313 5.064 2.058 1.00 31.32 C ATOM 745 CG2 ILE A 46 2.931 7.509 2.193 1.00 4.51 C ATOM 746 CD1 ILE A 46 2.079 5.105 0.561 1.00 50.10 C ATOM 0 H ILE A 46 0.634 4.995 4.577 1.00 62.14 H new ATOM 0 HA ILE A 46 3.362 6.128 4.465 1.00 13.11 H new ATOM 0 HB ILE A 46 1.006 6.679 2.610 1.00 54.31 H new ATOM 0 HG12 ILE A 46 3.343 4.762 2.246 1.00 31.32 H new ATOM 0 HG13 ILE A 46 1.672 4.298 2.495 1.00 31.32 H new ATOM 0 HG21 ILE A 46 2.747 7.599 1.122 1.00 4.51 H new ATOM 0 HG22 ILE A 46 2.697 8.455 2.682 1.00 4.51 H new ATOM 0 HG23 ILE A 46 3.979 7.263 2.361 1.00 4.51 H new ATOM 0 HD11 ILE A 46 2.287 4.124 0.133 1.00 50.10 H new ATOM 0 HD12 ILE A 46 1.042 5.375 0.362 1.00 50.10 H new ATOM 0 HD13 ILE A 46 2.739 5.845 0.110 1.00 50.10 H new ATOM 758 N THR A 47 2.750 8.440 5.308 1.00 51.24 N ATOM 759 CA THR A 47 2.449 9.650 6.093 1.00 62.32 C ATOM 760 C THR A 47 2.745 10.942 5.314 1.00 11.01 C ATOM 761 O THR A 47 3.828 11.107 4.747 1.00 63.44 O ATOM 762 CB THR A 47 3.271 9.676 7.410 1.00 13.33 C ATOM 763 OG1 THR A 47 3.010 8.496 8.185 1.00 24.52 O ATOM 764 CG2 THR A 47 2.951 10.913 8.250 1.00 72.05 C ATOM 0 H THR A 47 3.723 8.366 5.010 1.00 51.24 H new ATOM 0 HA THR A 47 1.382 9.609 6.313 1.00 62.32 H new ATOM 0 HB THR A 47 4.325 9.710 7.134 1.00 13.33 H new ATOM 0 HG1 THR A 47 3.536 8.525 9.012 1.00 24.52 H new ATOM 0 HG21 THR A 47 3.545 10.896 9.164 1.00 72.05 H new ATOM 0 HG22 THR A 47 3.188 11.811 7.680 1.00 72.05 H new ATOM 0 HG23 THR A 47 1.892 10.915 8.506 1.00 72.05 H new ATOM 772 N GLY A 48 1.776 11.860 5.302 1.00 64.43 N ATOM 773 CA GLY A 48 1.992 13.196 4.741 1.00 62.01 C ATOM 774 C GLY A 48 2.054 13.251 3.214 1.00 35.11 C ATOM 775 O GLY A 48 2.875 13.978 2.647 1.00 1.13 O ATOM 0 H GLY A 48 0.838 11.704 5.672 1.00 64.43 H new ATOM 0 HA2 GLY A 48 1.190 13.851 5.081 1.00 62.01 H new ATOM 0 HA3 GLY A 48 2.923 13.597 5.143 1.00 62.01 H new ATOM 779 N VAL A 49 1.190 12.496 2.542 1.00 55.44 N ATOM 780 CA VAL A 49 1.094 12.555 1.077 1.00 20.11 C ATOM 781 C VAL A 49 -0.017 13.515 0.621 1.00 74.53 C ATOM 782 O VAL A 49 -0.987 13.754 1.348 1.00 2.11 O ATOM 783 CB VAL A 49 0.844 11.155 0.454 1.00 2.53 C ATOM 784 CG1 VAL A 49 2.096 10.290 0.545 1.00 20.51 C ATOM 785 CG2 VAL A 49 -0.348 10.463 1.117 1.00 72.15 C ATOM 0 H VAL A 49 0.547 11.837 2.981 1.00 55.44 H new ATOM 0 HA VAL A 49 2.056 12.928 0.725 1.00 20.11 H new ATOM 0 HB VAL A 49 0.605 11.294 -0.600 1.00 2.53 H new ATOM 0 HG11 VAL A 49 1.897 9.314 0.102 1.00 20.51 H new ATOM 0 HG12 VAL A 49 2.912 10.773 0.007 1.00 20.51 H new ATOM 0 HG13 VAL A 49 2.376 10.164 1.591 1.00 20.51 H new ATOM 0 HG21 VAL A 49 -0.500 9.485 0.661 1.00 72.15 H new ATOM 0 HG22 VAL A 49 -0.151 10.341 2.182 1.00 72.15 H new ATOM 0 HG23 VAL A 49 -1.243 11.070 0.981 1.00 72.15 H new ATOM 795 N PRO A 50 0.123 14.097 -0.587 1.00 74.43 N ATOM 796 CA PRO A 50 -0.908 14.973 -1.176 1.00 13.43 C ATOM 797 C PRO A 50 -2.289 14.294 -1.260 1.00 3.44 C ATOM 798 O PRO A 50 -2.465 13.290 -1.959 1.00 24.45 O ATOM 799 CB PRO A 50 -0.364 15.291 -2.582 1.00 60.41 C ATOM 800 CG PRO A 50 0.734 14.301 -2.820 1.00 23.44 C ATOM 801 CD PRO A 50 1.298 13.974 -1.468 1.00 64.34 C ATOM 0 HA PRO A 50 -1.075 15.861 -0.567 1.00 13.43 H new ATOM 0 HB2 PRO A 50 -1.146 15.198 -3.336 1.00 60.41 H new ATOM 0 HB3 PRO A 50 0.011 16.313 -2.636 1.00 60.41 H new ATOM 0 HG2 PRO A 50 0.352 13.405 -3.310 1.00 23.44 H new ATOM 0 HG3 PRO A 50 1.501 14.719 -3.472 1.00 23.44 H new ATOM 0 HD2 PRO A 50 1.723 12.971 -1.439 1.00 64.34 H new ATOM 0 HD3 PRO A 50 2.092 14.664 -1.183 1.00 64.34 H new ATOM 809 N GLU A 51 -3.262 14.861 -0.544 1.00 32.15 N ATOM 810 CA GLU A 51 -4.626 14.314 -0.480 1.00 72.21 C ATOM 811 C GLU A 51 -5.223 14.022 -1.872 1.00 50.21 C ATOM 812 O GLU A 51 -6.039 13.109 -2.020 1.00 3.33 O ATOM 813 CB GLU A 51 -5.550 15.263 0.313 1.00 64.34 C ATOM 814 CG GLU A 51 -5.210 16.757 0.199 1.00 22.04 C ATOM 815 CD GLU A 51 -5.197 17.284 -1.231 1.00 4.22 C ATOM 816 OE1 GLU A 51 -6.273 17.648 -1.751 1.00 54.35 O ATOM 817 OE2 GLU A 51 -4.101 17.344 -1.840 1.00 2.34 O ATOM 0 H GLU A 51 -3.131 15.709 0.007 1.00 32.15 H new ATOM 0 HA GLU A 51 -4.556 13.358 0.038 1.00 72.21 H new ATOM 0 HB2 GLU A 51 -6.575 15.113 -0.027 1.00 64.34 H new ATOM 0 HB3 GLU A 51 -5.518 14.979 1.365 1.00 64.34 H new ATOM 0 HG2 GLU A 51 -5.934 17.329 0.779 1.00 22.04 H new ATOM 0 HG3 GLU A 51 -4.232 16.932 0.648 1.00 22.04 H new ATOM 824 N GLN A 52 -4.813 14.789 -2.882 1.00 14.22 N ATOM 825 CA GLN A 52 -5.304 14.594 -4.250 1.00 65.05 C ATOM 826 C GLN A 52 -4.654 13.375 -4.932 1.00 73.41 C ATOM 827 O GLN A 52 -5.347 12.550 -5.520 1.00 61.12 O ATOM 828 CB GLN A 52 -5.081 15.863 -5.085 1.00 5.40 C ATOM 829 CG GLN A 52 -3.623 16.293 -5.211 1.00 52.14 C ATOM 830 CD GLN A 52 -3.464 17.577 -6.010 1.00 63.11 C ATOM 831 OE1 GLN A 52 -4.257 17.877 -6.896 1.00 14.31 O ATOM 832 NE2 GLN A 52 -2.431 18.339 -5.713 1.00 4.51 N ATOM 0 H GLN A 52 -4.143 15.551 -2.781 1.00 14.22 H new ATOM 0 HA GLN A 52 -6.374 14.394 -4.186 1.00 65.05 H new ATOM 0 HB2 GLN A 52 -5.486 15.700 -6.084 1.00 5.40 H new ATOM 0 HB3 GLN A 52 -5.650 16.679 -4.640 1.00 5.40 H new ATOM 0 HG2 GLN A 52 -3.201 16.433 -4.216 1.00 52.14 H new ATOM 0 HG3 GLN A 52 -3.052 15.497 -5.690 1.00 52.14 H new ATOM 0 HE21 GLN A 52 -1.789 18.061 -4.970 1.00 4.51 H new ATOM 0 HE22 GLN A 52 -2.273 19.206 -6.226 1.00 4.51 H new ATOM 841 N VAL A 53 -3.330 13.244 -4.831 1.00 24.54 N ATOM 842 CA VAL A 53 -2.617 12.109 -5.440 1.00 11.34 C ATOM 843 C VAL A 53 -2.982 10.789 -4.733 1.00 2.34 C ATOM 844 O VAL A 53 -2.822 9.699 -5.288 1.00 2.01 O ATOM 845 CB VAL A 53 -1.081 12.331 -5.401 1.00 51.30 C ATOM 846 CG1 VAL A 53 -0.332 11.167 -6.049 1.00 33.24 C ATOM 847 CG2 VAL A 53 -0.715 13.652 -6.077 1.00 3.51 C ATOM 0 H VAL A 53 -2.729 13.903 -4.337 1.00 24.54 H new ATOM 0 HA VAL A 53 -2.929 12.042 -6.482 1.00 11.34 H new ATOM 0 HB VAL A 53 -0.776 12.378 -4.356 1.00 51.30 H new ATOM 0 HG11 VAL A 53 0.741 11.355 -6.005 1.00 33.24 H new ATOM 0 HG12 VAL A 53 -0.561 10.245 -5.515 1.00 33.24 H new ATOM 0 HG13 VAL A 53 -0.641 11.070 -7.090 1.00 33.24 H new ATOM 0 HG21 VAL A 53 0.365 13.792 -6.041 1.00 3.51 H new ATOM 0 HG22 VAL A 53 -1.044 13.632 -7.116 1.00 3.51 H new ATOM 0 HG23 VAL A 53 -1.205 14.475 -5.557 1.00 3.51 H new ATOM 857 N ARG A 54 -3.496 10.912 -3.508 1.00 3.13 N ATOM 858 CA ARG A 54 -3.999 9.770 -2.728 1.00 73.42 C ATOM 859 C ARG A 54 -4.901 8.840 -3.564 1.00 52.44 C ATOM 860 O ARG A 54 -4.913 7.625 -3.357 1.00 50.23 O ATOM 861 CB ARG A 54 -4.778 10.292 -1.511 1.00 20.23 C ATOM 862 CG ARG A 54 -5.587 9.230 -0.767 1.00 33.44 C ATOM 863 CD ARG A 54 -6.434 9.845 0.346 1.00 62.44 C ATOM 864 NE ARG A 54 -7.221 10.989 -0.126 1.00 35.05 N ATOM 865 CZ ARG A 54 -8.499 11.160 0.100 1.00 25.41 C ATOM 866 NH1 ARG A 54 -9.197 10.247 0.697 1.00 23.25 N ATOM 867 NH2 ARG A 54 -9.081 12.245 -0.284 1.00 64.44 N ATOM 0 H ARG A 54 -3.577 11.806 -3.024 1.00 3.13 H new ATOM 0 HA ARG A 54 -3.139 9.182 -2.407 1.00 73.42 H new ATOM 0 HB2 ARG A 54 -4.074 10.747 -0.814 1.00 20.23 H new ATOM 0 HB3 ARG A 54 -5.455 11.080 -1.841 1.00 20.23 H new ATOM 0 HG2 ARG A 54 -6.234 8.706 -1.470 1.00 33.44 H new ATOM 0 HG3 ARG A 54 -4.911 8.488 -0.343 1.00 33.44 H new ATOM 0 HD2 ARG A 54 -7.104 9.087 0.751 1.00 62.44 H new ATOM 0 HD3 ARG A 54 -5.784 10.164 1.161 1.00 62.44 H new ATOM 0 HE ARG A 54 -6.737 11.703 -0.670 1.00 35.05 H new ATOM 0 HH11 ARG A 54 -8.752 9.380 0.998 1.00 23.25 H new ATOM 0 HH12 ARG A 54 -10.192 10.395 0.866 1.00 23.25 H new ATOM 0 HH21 ARG A 54 -8.546 12.969 -0.763 1.00 64.44 H new ATOM 0 HH22 ARG A 54 -10.077 12.379 -0.108 1.00 64.44 H new ATOM 881 N LYS A 55 -5.655 9.413 -4.506 1.00 72.51 N ATOM 882 CA LYS A 55 -6.549 8.622 -5.360 1.00 11.22 C ATOM 883 C LYS A 55 -5.768 7.579 -6.179 1.00 10.15 C ATOM 884 O LYS A 55 -6.157 6.414 -6.247 1.00 42.41 O ATOM 885 CB LYS A 55 -7.361 9.544 -6.285 1.00 53.54 C ATOM 886 CG LYS A 55 -6.521 10.362 -7.266 1.00 44.12 C ATOM 887 CD LYS A 55 -7.362 11.393 -8.017 1.00 51.24 C ATOM 888 CE LYS A 55 -7.953 12.444 -7.076 1.00 4.44 C ATOM 889 NZ LYS A 55 -8.763 13.458 -7.803 1.00 13.31 N ATOM 0 H LYS A 55 -5.666 10.415 -4.697 1.00 72.51 H new ATOM 0 HA LYS A 55 -7.240 8.081 -4.713 1.00 11.22 H new ATOM 0 HB2 LYS A 55 -8.068 8.938 -6.851 1.00 53.54 H new ATOM 0 HB3 LYS A 55 -7.947 10.228 -5.671 1.00 53.54 H new ATOM 0 HG2 LYS A 55 -5.723 10.870 -6.724 1.00 44.12 H new ATOM 0 HG3 LYS A 55 -6.044 9.692 -7.982 1.00 44.12 H new ATOM 0 HD2 LYS A 55 -6.746 11.885 -8.769 1.00 51.24 H new ATOM 0 HD3 LYS A 55 -8.168 10.886 -8.547 1.00 51.24 H new ATOM 0 HE2 LYS A 55 -8.576 11.951 -6.329 1.00 4.44 H new ATOM 0 HE3 LYS A 55 -7.146 12.943 -6.539 1.00 4.44 H new ATOM 0 HZ1 LYS A 55 -9.143 14.149 -7.125 1.00 13.31 H new ATOM 0 HZ2 LYS A 55 -8.164 13.948 -8.498 1.00 13.31 H new ATOM 0 HZ3 LYS A 55 -9.549 12.987 -8.295 1.00 13.31 H new ATOM 903 N GLU A 56 -4.648 8.000 -6.770 1.00 73.54 N ATOM 904 CA GLU A 56 -3.807 7.103 -7.569 1.00 44.43 C ATOM 905 C GLU A 56 -3.003 6.149 -6.671 1.00 13.32 C ATOM 906 O GLU A 56 -2.767 4.998 -7.030 1.00 5.13 O ATOM 907 CB GLU A 56 -2.853 7.913 -8.464 1.00 12.40 C ATOM 908 CG GLU A 56 -3.559 8.824 -9.466 1.00 51.33 C ATOM 909 CD GLU A 56 -4.459 8.062 -10.431 1.00 52.53 C ATOM 910 OE1 GLU A 56 -3.935 7.267 -11.239 1.00 54.12 O ATOM 911 OE2 GLU A 56 -5.696 8.254 -10.382 1.00 40.31 O ATOM 0 H GLU A 56 -4.301 8.957 -6.711 1.00 73.54 H new ATOM 0 HA GLU A 56 -4.464 6.506 -8.201 1.00 44.43 H new ATOM 0 HB2 GLU A 56 -2.206 8.520 -7.831 1.00 12.40 H new ATOM 0 HB3 GLU A 56 -2.209 7.222 -9.008 1.00 12.40 H new ATOM 0 HG2 GLU A 56 -4.155 9.558 -8.924 1.00 51.33 H new ATOM 0 HG3 GLU A 56 -2.812 9.378 -10.035 1.00 51.33 H new ATOM 918 N LEU A 57 -2.598 6.633 -5.496 1.00 32.34 N ATOM 919 CA LEU A 57 -1.850 5.809 -4.536 1.00 33.10 C ATOM 920 C LEU A 57 -2.695 4.622 -4.043 1.00 23.34 C ATOM 921 O LEU A 57 -2.235 3.479 -4.032 1.00 43.50 O ATOM 922 CB LEU A 57 -1.394 6.662 -3.343 1.00 40.10 C ATOM 923 CG LEU A 57 -0.444 7.820 -3.686 1.00 62.34 C ATOM 924 CD1 LEU A 57 -0.098 8.620 -2.435 1.00 1.25 C ATOM 925 CD2 LEU A 57 0.823 7.305 -4.366 1.00 40.23 C ATOM 0 H LEU A 57 -2.773 7.588 -5.184 1.00 32.34 H new ATOM 0 HA LEU A 57 -0.973 5.412 -5.048 1.00 33.10 H new ATOM 0 HB2 LEU A 57 -2.277 7.072 -2.853 1.00 40.10 H new ATOM 0 HB3 LEU A 57 -0.901 6.012 -2.620 1.00 40.10 H new ATOM 0 HG LEU A 57 -0.956 8.481 -4.385 1.00 62.34 H new ATOM 0 HD11 LEU A 57 0.576 9.435 -2.699 1.00 1.25 H new ATOM 0 HD12 LEU A 57 -1.010 9.029 -2.001 1.00 1.25 H new ATOM 0 HD13 LEU A 57 0.388 7.968 -1.709 1.00 1.25 H new ATOM 0 HD21 LEU A 57 1.478 8.145 -4.598 1.00 40.23 H new ATOM 0 HD22 LEU A 57 1.340 6.615 -3.698 1.00 40.23 H new ATOM 0 HD23 LEU A 57 0.557 6.787 -5.287 1.00 40.23 H new ATOM 937 N ALA A 58 -3.935 4.901 -3.638 1.00 55.41 N ATOM 938 CA ALA A 58 -4.860 3.850 -3.199 1.00 11.24 C ATOM 939 C ALA A 58 -5.268 2.950 -4.375 1.00 3.24 C ATOM 940 O ALA A 58 -5.397 1.734 -4.230 1.00 22.25 O ATOM 941 CB ALA A 58 -6.091 4.468 -2.546 1.00 60.42 C ATOM 0 H ALA A 58 -4.323 5.844 -3.604 1.00 55.41 H new ATOM 0 HA ALA A 58 -4.348 3.230 -2.463 1.00 11.24 H new ATOM 0 HB1 ALA A 58 -6.769 3.677 -2.225 1.00 60.42 H new ATOM 0 HB2 ALA A 58 -5.787 5.058 -1.681 1.00 60.42 H new ATOM 0 HB3 ALA A 58 -6.599 5.112 -3.264 1.00 60.42 H new ATOM 947 N LYS A 59 -5.472 3.570 -5.536 1.00 20.34 N ATOM 948 CA LYS A 59 -5.786 2.842 -6.769 1.00 73.43 C ATOM 949 C LYS A 59 -4.675 1.840 -7.119 1.00 42.41 C ATOM 950 O LYS A 59 -4.947 0.695 -7.491 1.00 22.33 O ATOM 951 CB LYS A 59 -5.981 3.842 -7.916 1.00 32.03 C ATOM 952 CG LYS A 59 -6.411 3.216 -9.240 1.00 33.10 C ATOM 953 CD LYS A 59 -6.568 4.273 -10.331 1.00 24.13 C ATOM 954 CE LYS A 59 -7.608 5.329 -9.965 1.00 43.21 C ATOM 955 NZ LYS A 59 -7.685 6.411 -10.981 1.00 64.43 N ATOM 0 H LYS A 59 -5.425 4.582 -5.651 1.00 20.34 H new ATOM 0 HA LYS A 59 -6.706 2.278 -6.616 1.00 73.43 H new ATOM 0 HB2 LYS A 59 -6.729 4.576 -7.617 1.00 32.03 H new ATOM 0 HB3 LYS A 59 -5.047 4.383 -8.071 1.00 32.03 H new ATOM 0 HG2 LYS A 59 -5.673 2.477 -9.551 1.00 33.10 H new ATOM 0 HG3 LYS A 59 -7.355 2.687 -9.105 1.00 33.10 H new ATOM 0 HD2 LYS A 59 -5.607 4.757 -10.507 1.00 24.13 H new ATOM 0 HD3 LYS A 59 -6.856 3.789 -11.264 1.00 24.13 H new ATOM 0 HE2 LYS A 59 -8.585 4.856 -9.864 1.00 43.21 H new ATOM 0 HE3 LYS A 59 -7.361 5.760 -8.995 1.00 43.21 H new ATOM 0 HZ1 LYS A 59 -8.595 6.907 -10.892 1.00 64.43 H new ATOM 0 HZ2 LYS A 59 -6.907 7.085 -10.830 1.00 64.43 H new ATOM 0 HZ3 LYS A 59 -7.607 6.000 -11.933 1.00 64.43 H new ATOM 969 N GLU A 60 -3.423 2.281 -6.986 1.00 42.04 N ATOM 970 CA GLU A 60 -2.266 1.417 -7.224 1.00 53.34 C ATOM 971 C GLU A 60 -2.274 0.212 -6.272 1.00 52.22 C ATOM 972 O GLU A 60 -2.002 -0.908 -6.683 1.00 14.50 O ATOM 973 CB GLU A 60 -0.958 2.205 -7.054 1.00 44.00 C ATOM 974 CG GLU A 60 0.301 1.385 -7.339 1.00 13.20 C ATOM 975 CD GLU A 60 0.430 0.973 -8.802 1.00 15.42 C ATOM 976 OE1 GLU A 60 -0.201 -0.026 -9.212 1.00 2.44 O ATOM 977 OE2 GLU A 60 1.162 1.651 -9.551 1.00 73.50 O ATOM 0 H GLU A 60 -3.184 3.235 -6.714 1.00 42.04 H new ATOM 0 HA GLU A 60 -2.330 1.051 -8.249 1.00 53.34 H new ATOM 0 HB2 GLU A 60 -0.976 3.068 -7.720 1.00 44.00 H new ATOM 0 HB3 GLU A 60 -0.907 2.589 -6.035 1.00 44.00 H new ATOM 0 HG2 GLU A 60 1.178 1.966 -7.053 1.00 13.20 H new ATOM 0 HG3 GLU A 60 0.294 0.491 -6.716 1.00 13.20 H new ATOM 984 N ALA A 61 -2.600 0.454 -5.002 1.00 63.02 N ATOM 985 CA ALA A 61 -2.703 -0.623 -4.008 1.00 65.04 C ATOM 986 C ALA A 61 -3.653 -1.738 -4.477 1.00 41.32 C ATOM 987 O ALA A 61 -3.313 -2.922 -4.431 1.00 2.25 O ATOM 988 CB ALA A 61 -3.171 -0.062 -2.668 1.00 72.51 C ATOM 0 H ALA A 61 -2.798 1.385 -4.634 1.00 63.02 H new ATOM 0 HA ALA A 61 -1.711 -1.059 -3.888 1.00 65.04 H new ATOM 0 HB1 ALA A 61 -3.243 -0.870 -1.940 1.00 72.51 H new ATOM 0 HB2 ALA A 61 -2.456 0.681 -2.315 1.00 72.51 H new ATOM 0 HB3 ALA A 61 -4.149 0.404 -2.790 1.00 72.51 H new ATOM 994 N GLU A 62 -4.843 -1.350 -4.932 1.00 2.13 N ATOM 995 CA GLU A 62 -5.819 -2.310 -5.461 1.00 3.04 C ATOM 996 C GLU A 62 -5.283 -3.014 -6.722 1.00 43.25 C ATOM 997 O GLU A 62 -5.528 -4.203 -6.940 1.00 41.31 O ATOM 998 CB GLU A 62 -7.143 -1.600 -5.774 1.00 20.44 C ATOM 999 CG GLU A 62 -7.802 -0.965 -4.553 1.00 2.54 C ATOM 1000 CD GLU A 62 -9.123 -0.287 -4.881 1.00 52.23 C ATOM 1001 OE1 GLU A 62 -10.122 -1.003 -5.119 1.00 14.51 O ATOM 1002 OE2 GLU A 62 -9.173 0.960 -4.919 1.00 30.44 O ATOM 0 H GLU A 62 -5.157 -0.380 -4.946 1.00 2.13 H new ATOM 0 HA GLU A 62 -5.992 -3.070 -4.699 1.00 3.04 H new ATOM 0 HB2 GLU A 62 -6.963 -0.827 -6.522 1.00 20.44 H new ATOM 0 HB3 GLU A 62 -7.834 -2.317 -6.217 1.00 20.44 H new ATOM 0 HG2 GLU A 62 -7.971 -1.732 -3.797 1.00 2.54 H new ATOM 0 HG3 GLU A 62 -7.121 -0.233 -4.118 1.00 2.54 H new ATOM 1009 N ARG A 63 -4.544 -2.273 -7.543 1.00 44.53 N ATOM 1010 CA ARG A 63 -3.930 -2.828 -8.756 1.00 21.45 C ATOM 1011 C ARG A 63 -2.799 -3.817 -8.410 1.00 52.34 C ATOM 1012 O ARG A 63 -2.621 -4.834 -9.084 1.00 2.05 O ATOM 1013 CB ARG A 63 -3.410 -1.683 -9.638 1.00 13.54 C ATOM 1014 CG ARG A 63 -2.773 -2.132 -10.951 1.00 53.35 C ATOM 1015 CD ARG A 63 -3.686 -3.058 -11.752 1.00 64.15 C ATOM 1016 NE ARG A 63 -5.018 -2.495 -11.957 1.00 24.13 N ATOM 1017 CZ ARG A 63 -5.947 -3.062 -12.679 1.00 50.22 C ATOM 1018 NH1 ARG A 63 -5.710 -4.169 -13.303 1.00 44.34 N ATOM 1019 NH2 ARG A 63 -7.112 -2.511 -12.775 1.00 30.43 N ATOM 0 H ARG A 63 -4.353 -1.282 -7.394 1.00 44.53 H new ATOM 0 HA ARG A 63 -4.687 -3.386 -9.307 1.00 21.45 H new ATOM 0 HB2 ARG A 63 -4.237 -1.010 -9.862 1.00 13.54 H new ATOM 0 HB3 ARG A 63 -2.677 -1.109 -9.071 1.00 13.54 H new ATOM 0 HG2 ARG A 63 -2.530 -1.256 -11.552 1.00 53.35 H new ATOM 0 HG3 ARG A 63 -1.834 -2.644 -10.740 1.00 53.35 H new ATOM 0 HD2 ARG A 63 -3.230 -3.263 -12.720 1.00 64.15 H new ATOM 0 HD3 ARG A 63 -3.775 -4.012 -11.233 1.00 64.15 H new ATOM 0 HE ARG A 63 -5.236 -1.605 -11.509 1.00 24.13 H new ATOM 0 HH11 ARG A 63 -4.791 -4.607 -13.234 1.00 44.34 H new ATOM 0 HH12 ARG A 63 -6.442 -4.605 -13.865 1.00 44.34 H new ATOM 0 HH21 ARG A 63 -7.304 -1.636 -12.288 1.00 30.43 H new ATOM 0 HH22 ARG A 63 -7.840 -2.951 -13.338 1.00 30.43 H new ATOM 1033 N LEU A 64 -2.045 -3.509 -7.355 1.00 5.12 N ATOM 1034 CA LEU A 64 -1.014 -4.415 -6.831 1.00 54.15 C ATOM 1035 C LEU A 64 -1.644 -5.747 -6.409 1.00 42.52 C ATOM 1036 O LEU A 64 -1.121 -6.825 -6.704 1.00 52.44 O ATOM 1037 CB LEU A 64 -0.296 -3.769 -5.632 1.00 3.24 C ATOM 1038 CG LEU A 64 0.585 -2.551 -5.963 1.00 1.50 C ATOM 1039 CD1 LEU A 64 0.986 -1.803 -4.691 1.00 41.44 C ATOM 1040 CD2 LEU A 64 1.824 -2.991 -6.736 1.00 33.40 C ATOM 0 H LEU A 64 -2.128 -2.632 -6.840 1.00 5.12 H new ATOM 0 HA LEU A 64 -0.284 -4.604 -7.618 1.00 54.15 H new ATOM 0 HB2 LEU A 64 -1.047 -3.465 -4.903 1.00 3.24 H new ATOM 0 HB3 LEU A 64 0.326 -4.525 -5.153 1.00 3.24 H new ATOM 0 HG LEU A 64 0.006 -1.870 -6.586 1.00 1.50 H new ATOM 0 HD11 LEU A 64 1.608 -0.947 -4.953 1.00 41.44 H new ATOM 0 HD12 LEU A 64 0.091 -1.457 -4.175 1.00 41.44 H new ATOM 0 HD13 LEU A 64 1.546 -2.472 -4.037 1.00 41.44 H new ATOM 0 HD21 LEU A 64 2.439 -2.120 -6.964 1.00 33.40 H new ATOM 0 HD22 LEU A 64 2.399 -3.693 -6.132 1.00 33.40 H new ATOM 0 HD23 LEU A 64 1.521 -3.474 -7.665 1.00 33.40 H new ATOM 1052 N ALA A 65 -2.781 -5.658 -5.724 1.00 12.21 N ATOM 1053 CA ALA A 65 -3.543 -6.843 -5.345 1.00 30.44 C ATOM 1054 C ALA A 65 -3.996 -7.626 -6.584 1.00 4.33 C ATOM 1055 O ALA A 65 -3.811 -8.838 -6.663 1.00 15.25 O ATOM 1056 CB ALA A 65 -4.746 -6.450 -4.498 1.00 40.33 C ATOM 0 H ALA A 65 -3.195 -4.777 -5.420 1.00 12.21 H new ATOM 0 HA ALA A 65 -2.893 -7.489 -4.755 1.00 30.44 H new ATOM 0 HB1 ALA A 65 -5.305 -7.344 -4.223 1.00 40.33 H new ATOM 0 HB2 ALA A 65 -4.405 -5.943 -3.595 1.00 40.33 H new ATOM 0 HB3 ALA A 65 -5.390 -5.781 -5.069 1.00 40.33 H new ATOM 1062 N LYS A 66 -4.575 -6.919 -7.555 1.00 41.14 N ATOM 1063 CA LYS A 66 -5.041 -7.546 -8.802 1.00 52.21 C ATOM 1064 C LYS A 66 -3.899 -8.215 -9.580 1.00 34.41 C ATOM 1065 O LYS A 66 -4.105 -9.247 -10.219 1.00 62.05 O ATOM 1066 CB LYS A 66 -5.744 -6.516 -9.698 1.00 72.23 C ATOM 1067 CG LYS A 66 -7.089 -6.045 -9.155 1.00 1.45 C ATOM 1068 CD LYS A 66 -8.068 -7.205 -8.987 1.00 12.32 C ATOM 1069 CE LYS A 66 -9.420 -6.738 -8.458 1.00 71.22 C ATOM 1070 NZ LYS A 66 -9.287 -5.978 -7.188 1.00 1.12 N ATOM 0 H LYS A 66 -4.734 -5.913 -7.507 1.00 41.14 H new ATOM 0 HA LYS A 66 -5.750 -8.323 -8.516 1.00 52.21 H new ATOM 0 HB2 LYS A 66 -5.091 -5.652 -9.824 1.00 72.23 H new ATOM 0 HB3 LYS A 66 -5.894 -6.950 -10.687 1.00 72.23 H new ATOM 0 HG2 LYS A 66 -6.941 -5.552 -8.194 1.00 1.45 H new ATOM 0 HG3 LYS A 66 -7.515 -5.304 -9.831 1.00 1.45 H new ATOM 0 HD2 LYS A 66 -8.207 -7.705 -9.946 1.00 12.32 H new ATOM 0 HD3 LYS A 66 -7.645 -7.940 -8.303 1.00 12.32 H new ATOM 0 HE2 LYS A 66 -9.906 -6.112 -9.206 1.00 71.22 H new ATOM 0 HE3 LYS A 66 -10.065 -7.602 -8.298 1.00 71.22 H new ATOM 0 HZ1 LYS A 66 -10.223 -5.870 -6.749 1.00 1.12 H new ATOM 0 HZ2 LYS A 66 -8.658 -6.493 -6.540 1.00 1.12 H new ATOM 0 HZ3 LYS A 66 -8.887 -5.039 -7.386 1.00 1.12 H new ATOM 1084 N GLU A 67 -2.698 -7.637 -9.514 1.00 43.22 N ATOM 1085 CA GLU A 67 -1.531 -8.198 -10.208 1.00 33.24 C ATOM 1086 C GLU A 67 -1.264 -9.645 -9.759 1.00 75.10 C ATOM 1087 O GLU A 67 -0.875 -10.498 -10.558 1.00 63.14 O ATOM 1088 CB GLU A 67 -0.284 -7.331 -9.964 1.00 31.25 C ATOM 1089 CG GLU A 67 0.929 -7.774 -10.782 1.00 11.40 C ATOM 1090 CD GLU A 67 2.159 -6.898 -10.581 1.00 0.44 C ATOM 1091 OE1 GLU A 67 2.026 -5.656 -10.616 1.00 2.11 O ATOM 1092 OE2 GLU A 67 3.270 -7.450 -10.418 1.00 53.43 O ATOM 0 H GLU A 67 -2.506 -6.784 -8.990 1.00 43.22 H new ATOM 0 HA GLU A 67 -1.751 -8.204 -11.276 1.00 33.24 H new ATOM 0 HB2 GLU A 67 -0.518 -6.294 -10.206 1.00 31.25 H new ATOM 0 HB3 GLU A 67 -0.030 -7.362 -8.904 1.00 31.25 H new ATOM 0 HG2 GLU A 67 1.179 -8.801 -10.517 1.00 11.40 H new ATOM 0 HG3 GLU A 67 0.663 -7.773 -11.839 1.00 11.40 H new ATOM 1099 N PHE A 68 -1.485 -9.912 -8.473 1.00 52.32 N ATOM 1100 CA PHE A 68 -1.318 -11.261 -7.913 1.00 74.05 C ATOM 1101 C PHE A 68 -2.674 -11.871 -7.513 1.00 11.40 C ATOM 1102 O PHE A 68 -2.731 -12.944 -6.909 1.00 61.53 O ATOM 1103 CB PHE A 68 -0.382 -11.207 -6.699 1.00 21.32 C ATOM 1104 CG PHE A 68 0.984 -10.648 -7.017 1.00 55.00 C ATOM 1105 CD1 PHE A 68 2.005 -11.478 -7.456 1.00 41.23 C ATOM 1106 CD2 PHE A 68 1.242 -9.291 -6.886 1.00 14.35 C ATOM 1107 CE1 PHE A 68 3.254 -10.965 -7.755 1.00 11.20 C ATOM 1108 CE2 PHE A 68 2.489 -8.774 -7.183 1.00 34.12 C ATOM 1109 CZ PHE A 68 3.496 -9.614 -7.618 1.00 72.43 C ATOM 0 H PHE A 68 -1.781 -9.212 -7.793 1.00 52.32 H new ATOM 0 HA PHE A 68 -0.878 -11.898 -8.680 1.00 74.05 H new ATOM 0 HB2 PHE A 68 -0.843 -10.598 -5.921 1.00 21.32 H new ATOM 0 HB3 PHE A 68 -0.269 -12.212 -6.292 1.00 21.32 H new ATOM 0 HD1 PHE A 68 1.823 -12.537 -7.566 1.00 41.23 H new ATOM 0 HD2 PHE A 68 0.458 -8.630 -6.547 1.00 14.35 H new ATOM 0 HE1 PHE A 68 4.040 -11.622 -8.096 1.00 11.20 H new ATOM 0 HE2 PHE A 68 2.676 -7.716 -7.075 1.00 34.12 H new ATOM 0 HZ PHE A 68 4.472 -9.213 -7.851 1.00 72.43 H new ATOM 1119 N ASN A 69 -3.760 -11.172 -7.862 1.00 33.31 N ATOM 1120 CA ASN A 69 -5.131 -11.595 -7.525 1.00 11.31 C ATOM 1121 C ASN A 69 -5.316 -11.814 -6.010 1.00 21.32 C ATOM 1122 O ASN A 69 -6.172 -12.591 -5.584 1.00 5.13 O ATOM 1123 CB ASN A 69 -5.499 -12.865 -8.301 1.00 74.32 C ATOM 1124 CG ASN A 69 -5.477 -12.652 -9.803 1.00 63.30 C ATOM 1125 OD1 ASN A 69 -6.465 -12.238 -10.400 1.00 62.00 O ATOM 1126 ND2 ASN A 69 -4.354 -12.930 -10.428 1.00 71.41 N ATOM 0 H ASN A 69 -3.717 -10.298 -8.385 1.00 33.31 H new ATOM 0 HA ASN A 69 -5.804 -10.789 -7.817 1.00 11.31 H new ATOM 0 HB2 ASN A 69 -4.803 -13.662 -8.040 1.00 74.32 H new ATOM 0 HB3 ASN A 69 -6.492 -13.197 -7.998 1.00 74.32 H new ATOM 0 HD21 ASN A 69 -4.287 -12.803 -11.438 1.00 71.41 H new ATOM 0 HD22 ASN A 69 -3.550 -13.273 -9.903 1.00 71.41 H new ATOM 1133 N ILE A 70 -4.541 -11.091 -5.206 1.00 11.42 N ATOM 1134 CA ILE A 70 -4.556 -11.254 -3.746 1.00 43.01 C ATOM 1135 C ILE A 70 -5.492 -10.246 -3.044 1.00 54.53 C ATOM 1136 O ILE A 70 -6.165 -9.436 -3.691 1.00 60.41 O ATOM 1137 CB ILE A 70 -3.125 -11.121 -3.161 1.00 74.31 C ATOM 1138 CG1 ILE A 70 -2.551 -9.721 -3.438 1.00 44.12 C ATOM 1139 CG2 ILE A 70 -2.213 -12.205 -3.736 1.00 15.35 C ATOM 1140 CD1 ILE A 70 -1.160 -9.502 -2.880 1.00 62.32 C ATOM 0 H ILE A 70 -3.889 -10.381 -5.539 1.00 11.42 H new ATOM 0 HA ILE A 70 -4.941 -12.256 -3.555 1.00 43.01 H new ATOM 0 HB ILE A 70 -3.180 -11.255 -2.081 1.00 74.31 H new ATOM 0 HG12 ILE A 70 -2.529 -9.556 -4.515 1.00 44.12 H new ATOM 0 HG13 ILE A 70 -3.223 -8.974 -3.014 1.00 44.12 H new ATOM 0 HG21 ILE A 70 -1.213 -12.099 -3.316 1.00 15.35 H new ATOM 0 HG22 ILE A 70 -2.611 -13.188 -3.482 1.00 15.35 H new ATOM 0 HG23 ILE A 70 -2.165 -12.102 -4.820 1.00 15.35 H new ATOM 0 HD11 ILE A 70 -0.828 -8.492 -3.118 1.00 62.32 H new ATOM 0 HD12 ILE A 70 -1.177 -9.633 -1.798 1.00 62.32 H new ATOM 0 HD13 ILE A 70 -0.473 -10.223 -3.322 1.00 62.32 H new ATOM 1152 N THR A 71 -5.528 -10.312 -1.712 1.00 52.54 N ATOM 1153 CA THR A 71 -6.387 -9.436 -0.899 1.00 55.12 C ATOM 1154 C THR A 71 -5.651 -8.156 -0.472 1.00 54.33 C ATOM 1155 O THR A 71 -4.467 -8.188 -0.134 1.00 21.41 O ATOM 1156 CB THR A 71 -6.870 -10.158 0.387 1.00 61.31 C ATOM 1157 OG1 THR A 71 -7.513 -11.398 0.057 1.00 33.50 O ATOM 1158 CG2 THR A 71 -7.837 -9.286 1.185 1.00 42.31 C ATOM 0 H THR A 71 -4.969 -10.967 -1.166 1.00 52.54 H new ATOM 0 HA THR A 71 -7.239 -9.178 -1.528 1.00 55.12 H new ATOM 0 HB THR A 71 -5.990 -10.355 1.000 1.00 61.31 H new ATOM 0 HG1 THR A 71 -7.810 -11.841 0.879 1.00 33.50 H new ATOM 0 HG21 THR A 71 -8.156 -9.821 2.079 1.00 42.31 H new ATOM 0 HG22 THR A 71 -7.339 -8.361 1.474 1.00 42.31 H new ATOM 0 HG23 THR A 71 -8.707 -9.053 0.572 1.00 42.31 H new ATOM 1166 N VAL A 72 -6.366 -7.031 -0.474 1.00 3.03 N ATOM 1167 CA VAL A 72 -5.816 -5.761 0.014 1.00 30.12 C ATOM 1168 C VAL A 72 -6.828 -5.023 0.914 1.00 63.51 C ATOM 1169 O VAL A 72 -7.933 -4.683 0.483 1.00 11.20 O ATOM 1170 CB VAL A 72 -5.375 -4.835 -1.156 1.00 31.10 C ATOM 1171 CG1 VAL A 72 -6.540 -4.536 -2.101 1.00 21.34 C ATOM 1172 CG2 VAL A 72 -4.760 -3.542 -0.621 1.00 54.05 C ATOM 0 H VAL A 72 -7.328 -6.971 -0.808 1.00 3.03 H new ATOM 0 HA VAL A 72 -4.934 -6.007 0.605 1.00 30.12 H new ATOM 0 HB VAL A 72 -4.614 -5.364 -1.730 1.00 31.10 H new ATOM 0 HG11 VAL A 72 -6.197 -3.887 -2.907 1.00 21.34 H new ATOM 0 HG12 VAL A 72 -6.916 -5.469 -2.521 1.00 21.34 H new ATOM 0 HG13 VAL A 72 -7.338 -4.039 -1.549 1.00 21.34 H new ATOM 0 HG21 VAL A 72 -4.459 -2.910 -1.456 1.00 54.05 H new ATOM 0 HG22 VAL A 72 -5.495 -3.014 -0.013 1.00 54.05 H new ATOM 0 HG23 VAL A 72 -3.887 -3.779 -0.012 1.00 54.05 H new ATOM 1182 N THR A 73 -6.458 -4.802 2.172 1.00 20.35 N ATOM 1183 CA THR A 73 -7.306 -4.055 3.116 1.00 63.44 C ATOM 1184 C THR A 73 -6.621 -2.749 3.534 1.00 64.34 C ATOM 1185 O THR A 73 -5.529 -2.773 4.098 1.00 20.04 O ATOM 1186 CB THR A 73 -7.617 -4.888 4.387 1.00 54.53 C ATOM 1187 OG1 THR A 73 -6.396 -5.271 5.038 1.00 43.41 O ATOM 1188 CG2 THR A 73 -8.430 -6.134 4.043 1.00 11.21 C ATOM 0 H THR A 73 -5.576 -5.127 2.569 1.00 20.35 H new ATOM 0 HA THR A 73 -8.242 -3.836 2.603 1.00 63.44 H new ATOM 0 HB THR A 73 -8.207 -4.267 5.060 1.00 54.53 H new ATOM 0 HG1 THR A 73 -6.603 -5.795 5.840 1.00 43.41 H new ATOM 0 HG21 THR A 73 -8.633 -6.699 4.953 1.00 11.21 H new ATOM 0 HG22 THR A 73 -9.372 -5.838 3.582 1.00 11.21 H new ATOM 0 HG23 THR A 73 -7.866 -6.756 3.348 1.00 11.21 H new ATOM 1196 N TYR A 74 -7.266 -1.614 3.275 1.00 52.14 N ATOM 1197 CA TYR A 74 -6.656 -0.305 3.540 1.00 62.31 C ATOM 1198 C TYR A 74 -7.566 0.603 4.385 1.00 62.42 C ATOM 1199 O TYR A 74 -8.776 0.682 4.163 1.00 34.43 O ATOM 1200 CB TYR A 74 -6.277 0.383 2.214 1.00 51.21 C ATOM 1201 CG TYR A 74 -7.432 0.563 1.242 1.00 12.52 C ATOM 1202 CD1 TYR A 74 -7.912 -0.507 0.492 1.00 14.13 C ATOM 1203 CD2 TYR A 74 -8.042 1.803 1.072 1.00 22.11 C ATOM 1204 CE1 TYR A 74 -8.961 -0.348 -0.393 1.00 34.55 C ATOM 1205 CE2 TYR A 74 -9.092 1.967 0.188 1.00 54.31 C ATOM 1206 CZ TYR A 74 -9.546 0.889 -0.542 1.00 33.00 C ATOM 1207 OH TYR A 74 -10.596 1.048 -1.421 1.00 45.44 O ATOM 0 H TYR A 74 -8.207 -1.570 2.884 1.00 52.14 H new ATOM 0 HA TYR A 74 -5.752 -0.477 4.124 1.00 62.31 H new ATOM 0 HB2 TYR A 74 -5.851 1.361 2.436 1.00 51.21 H new ATOM 0 HB3 TYR A 74 -5.497 -0.202 1.727 1.00 51.21 H new ATOM 0 HD1 TYR A 74 -7.456 -1.480 0.604 1.00 14.13 H new ATOM 0 HD2 TYR A 74 -7.689 2.651 1.640 1.00 22.11 H new ATOM 0 HE1 TYR A 74 -9.320 -1.190 -0.965 1.00 34.55 H new ATOM 0 HE2 TYR A 74 -9.555 2.936 0.070 1.00 54.31 H new ATOM 0 HH TYR A 74 -10.896 1.981 -1.407 1.00 45.44 H new ATOM 1217 N THR A 75 -6.966 1.289 5.358 1.00 32.23 N ATOM 1218 CA THR A 75 -7.693 2.207 6.248 1.00 5.35 C ATOM 1219 C THR A 75 -7.245 3.659 6.019 1.00 10.24 C ATOM 1220 O THR A 75 -6.106 4.018 6.321 1.00 51.04 O ATOM 1221 CB THR A 75 -7.468 1.850 7.742 1.00 52.13 C ATOM 1222 OG1 THR A 75 -7.842 0.482 7.992 1.00 42.11 O ATOM 1223 CG2 THR A 75 -8.275 2.769 8.655 1.00 14.14 C ATOM 0 H THR A 75 -5.967 1.228 5.554 1.00 32.23 H new ATOM 0 HA THR A 75 -8.752 2.104 6.011 1.00 5.35 H new ATOM 0 HB THR A 75 -6.408 1.984 7.958 1.00 52.13 H new ATOM 0 HG1 THR A 75 -7.693 0.270 8.937 1.00 42.11 H new ATOM 0 HG21 THR A 75 -8.098 2.496 9.695 1.00 14.14 H new ATOM 0 HG22 THR A 75 -7.968 3.802 8.494 1.00 14.14 H new ATOM 0 HG23 THR A 75 -9.336 2.666 8.429 1.00 14.14 H new ATOM 1231 N ILE A 76 -8.136 4.486 5.471 1.00 65.24 N ATOM 1232 CA ILE A 76 -7.829 5.901 5.219 1.00 64.32 C ATOM 1233 C ILE A 76 -8.838 6.826 5.922 1.00 11.11 C ATOM 1234 O ILE A 76 -10.030 6.817 5.603 1.00 33.14 O ATOM 1235 CB ILE A 76 -7.820 6.218 3.701 1.00 11.42 C ATOM 1236 CG1 ILE A 76 -6.848 5.279 2.965 1.00 21.01 C ATOM 1237 CG2 ILE A 76 -7.448 7.682 3.453 1.00 5.43 C ATOM 1238 CD1 ILE A 76 -6.768 5.519 1.472 1.00 65.02 C ATOM 0 H ILE A 76 -9.076 4.204 5.192 1.00 65.24 H new ATOM 0 HA ILE A 76 -6.834 6.083 5.625 1.00 64.32 H new ATOM 0 HB ILE A 76 -8.824 6.054 3.310 1.00 11.42 H new ATOM 0 HG12 ILE A 76 -5.853 5.394 3.395 1.00 21.01 H new ATOM 0 HG13 ILE A 76 -7.153 4.247 3.141 1.00 21.01 H new ATOM 0 HG21 ILE A 76 -7.448 7.881 2.381 1.00 5.43 H new ATOM 0 HG22 ILE A 76 -8.175 8.330 3.942 1.00 5.43 H new ATOM 0 HG23 ILE A 76 -6.456 7.879 3.858 1.00 5.43 H new ATOM 0 HD11 ILE A 76 -6.062 4.817 1.028 1.00 65.02 H new ATOM 0 HD12 ILE A 76 -7.752 5.374 1.027 1.00 65.02 H new ATOM 0 HD13 ILE A 76 -6.432 6.539 1.285 1.00 65.02 H new ATOM 1250 N ARG A 77 -8.353 7.622 6.876 1.00 32.34 N ATOM 1251 CA ARG A 77 -9.198 8.562 7.626 1.00 53.35 C ATOM 1252 C ARG A 77 -8.748 10.011 7.384 1.00 33.23 C ATOM 1253 O ARG A 77 -7.611 10.373 7.684 1.00 30.02 O ATOM 1254 CB ARG A 77 -9.155 8.226 9.126 1.00 70.01 C ATOM 1255 CG ARG A 77 -9.722 6.845 9.449 1.00 53.31 C ATOM 1256 CD ARG A 77 -9.488 6.444 10.901 1.00 3.44 C ATOM 1257 NE ARG A 77 -10.109 7.368 11.850 1.00 53.44 N ATOM 1258 CZ ARG A 77 -10.552 7.016 13.027 1.00 61.13 C ATOM 1259 NH1 ARG A 77 -10.573 5.768 13.374 1.00 23.44 N ATOM 1260 NH2 ARG A 77 -11.002 7.910 13.844 1.00 42.54 N ATOM 0 H ARG A 77 -7.371 7.636 7.152 1.00 32.34 H new ATOM 0 HA ARG A 77 -10.225 8.465 7.273 1.00 53.35 H new ATOM 0 HB2 ARG A 77 -8.123 8.279 9.474 1.00 70.01 H new ATOM 0 HB3 ARG A 77 -9.717 8.980 9.677 1.00 70.01 H new ATOM 0 HG2 ARG A 77 -10.792 6.837 9.241 1.00 53.31 H new ATOM 0 HG3 ARG A 77 -9.264 6.105 8.793 1.00 53.31 H new ATOM 0 HD2 ARG A 77 -9.883 5.442 11.065 1.00 3.44 H new ATOM 0 HD3 ARG A 77 -8.416 6.399 11.093 1.00 3.44 H new ATOM 0 HE ARG A 77 -10.202 8.346 11.576 1.00 53.44 H new ATOM 0 HH11 ARG A 77 -10.242 5.053 12.726 1.00 23.44 H new ATOM 0 HH12 ARG A 77 -10.920 5.501 14.295 1.00 23.44 H new ATOM 0 HH21 ARG A 77 -11.012 8.892 13.570 1.00 42.54 H new ATOM 0 HH22 ARG A 77 -11.348 7.633 14.763 1.00 42.54 H new