USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 709 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 MET CE :methyl -155:sc=-0.00691 (180deg=-0.493) USER MOD Set 1.2: A 25 GLN : amide:sc= -0.418 K(o=-0.43,f=-1.5) USER MOD Single : A 1 MET CE :methyl -115:sc= -0.57 (180deg=-1.5) USER MOD Single : A 1 MET N :NH3+ -166:sc= -0.0403 (180deg=-0.293) USER MOD Single : A 3 MET CE :methyl -162:sc= -1.97! (180deg=-2.46) USER MOD Single : A 17 LYS NZ :NH3+ -112:sc= 0.699 (180deg=-0.173) USER MOD Single : A 20 LYS NZ :NH3+ -166:sc= -0.0345 (180deg=-0.289) 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= -0.944 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 THR OG1 : rot -34:sc= 0.623 USER MOD Single : A 52 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 55 LYS NZ :NH3+ 174:sc= 0.885 (180deg=0.705) USER MOD Single : A 59 LYS NZ :NH3+ 160:sc= 0.988 (180deg=-0.318) USER MOD Single : A 66 LYS NZ :NH3+ -150:sc= -2.16! (180deg=-4.13!) USER MOD Single : A 69 ASN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 71 THR OG1 : rot -12:sc= -0.804! USER MOD Single : A 73 THR OG1 : rot -110:sc= -1.54! USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.0367 USER MOD Single : A 80 HIS : no HD1:sc= -0.0215 X(o=-0.021,f=0) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 82 HIS : no HD1:sc= -0.0209 X(o=-0.021,f=-0.021) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 HIS : no HD1:sc= -0.0176 X(o=-0.018,f=-0.018) USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.711 14.887 5.302 1.00 41.24 N ATOM 2 CA MET A 1 -3.903 13.653 4.492 1.00 32.34 C ATOM 3 C MET A 1 -2.831 12.605 4.835 1.00 13.10 C ATOM 4 O MET A 1 -1.659 12.760 4.487 1.00 34.44 O ATOM 5 CB MET A 1 -3.853 13.992 2.995 1.00 72.32 C ATOM 6 CG MET A 1 -4.907 15.003 2.559 1.00 60.54 C ATOM 7 SD MET A 1 -6.589 14.398 2.792 1.00 60.10 S ATOM 8 CE MET A 1 -6.649 13.077 1.582 1.00 41.33 C ATOM 0 H1 MET A 1 -4.562 15.481 5.237 1.00 41.24 H new ATOM 0 H2 MET A 1 -3.544 14.628 6.295 1.00 41.24 H new ATOM 0 H3 MET A 1 -2.892 15.416 4.940 1.00 41.24 H new ATOM 0 HA MET A 1 -4.881 13.234 4.728 1.00 32.34 H new ATOM 0 HB2 MET A 1 -2.865 14.384 2.753 1.00 72.32 H new ATOM 0 HB3 MET A 1 -3.982 13.075 2.420 1.00 72.32 H new ATOM 0 HG2 MET A 1 -4.775 15.926 3.124 1.00 60.54 H new ATOM 0 HG3 MET A 1 -4.756 15.249 1.508 1.00 60.54 H new ATOM 0 HE1 MET A 1 -7.376 13.325 0.809 1.00 41.33 H new ATOM 0 HE2 MET A 1 -5.665 12.954 1.129 1.00 41.33 H new ATOM 0 HE3 MET A 1 -6.942 12.148 2.072 1.00 41.33 H new ATOM 20 N GLU A 2 -3.244 11.538 5.522 1.00 12.25 N ATOM 21 CA GLU A 2 -2.316 10.504 6.007 1.00 62.42 C ATOM 22 C GLU A 2 -2.920 9.101 5.770 1.00 64.42 C ATOM 23 O GLU A 2 -4.074 8.850 6.123 1.00 13.44 O ATOM 24 CB GLU A 2 -2.029 10.771 7.498 1.00 1.21 C ATOM 25 CG GLU A 2 -0.651 10.322 7.980 1.00 33.33 C ATOM 26 CD GLU A 2 -0.645 8.916 8.550 1.00 64.45 C ATOM 27 OE1 GLU A 2 -1.317 8.702 9.578 1.00 23.20 O ATOM 28 OE2 GLU A 2 0.051 8.042 8.000 1.00 22.04 O ATOM 0 H GLU A 2 -4.221 11.363 5.758 1.00 12.25 H new ATOM 0 HA GLU A 2 -1.374 10.540 5.461 1.00 62.42 H new ATOM 0 HB2 GLU A 2 -2.133 11.839 7.687 1.00 1.21 H new ATOM 0 HB3 GLU A 2 -2.789 10.266 8.095 1.00 1.21 H new ATOM 0 HG2 GLU A 2 0.052 10.373 7.148 1.00 33.33 H new ATOM 0 HG3 GLU A 2 -0.295 11.017 8.741 1.00 33.33 H new ATOM 35 N MET A 3 -2.135 8.190 5.184 1.00 14.22 N ATOM 36 CA MET A 3 -2.691 6.980 4.546 1.00 54.32 C ATOM 37 C MET A 3 -2.261 5.659 5.224 1.00 23.54 C ATOM 38 O MET A 3 -1.075 5.334 5.280 1.00 42.21 O ATOM 39 CB MET A 3 -2.248 6.966 3.076 1.00 51.45 C ATOM 40 CG MET A 3 -2.819 5.822 2.248 1.00 74.41 C ATOM 41 SD MET A 3 -4.615 5.895 2.099 1.00 64.20 S ATOM 42 CE MET A 3 -4.918 4.619 0.883 1.00 41.14 C ATOM 0 H MET A 3 -1.119 8.262 5.136 1.00 14.22 H new ATOM 0 HA MET A 3 -3.775 7.031 4.646 1.00 54.32 H new ATOM 0 HB2 MET A 3 -2.538 7.910 2.615 1.00 51.45 H new ATOM 0 HB3 MET A 3 -1.160 6.915 3.039 1.00 51.45 H new ATOM 0 HG2 MET A 3 -2.375 5.843 1.253 1.00 74.41 H new ATOM 0 HG3 MET A 3 -2.535 4.873 2.703 1.00 74.41 H new ATOM 0 HE1 MET A 3 -5.911 4.754 0.454 1.00 41.14 H new ATOM 0 HE2 MET A 3 -4.169 4.684 0.093 1.00 41.14 H new ATOM 0 HE3 MET A 3 -4.859 3.641 1.360 1.00 41.14 H new ATOM 52 N ASP A 4 -3.243 4.888 5.704 1.00 43.15 N ATOM 53 CA ASP A 4 -3.000 3.528 6.215 1.00 43.35 C ATOM 54 C ASP A 4 -3.325 2.470 5.135 1.00 15.24 C ATOM 55 O ASP A 4 -4.457 2.395 4.648 1.00 44.11 O ATOM 56 CB ASP A 4 -3.857 3.263 7.462 1.00 55.35 C ATOM 57 CG ASP A 4 -3.511 4.166 8.635 1.00 14.33 C ATOM 58 OD1 ASP A 4 -3.951 5.336 8.647 1.00 34.43 O ATOM 59 OD2 ASP A 4 -2.825 3.696 9.572 1.00 64.43 O ATOM 0 H ASP A 4 -4.219 5.181 5.751 1.00 43.15 H new ATOM 0 HA ASP A 4 -1.945 3.453 6.479 1.00 43.35 H new ATOM 0 HB2 ASP A 4 -4.908 3.398 7.207 1.00 55.35 H new ATOM 0 HB3 ASP A 4 -3.733 2.223 7.765 1.00 55.35 H new ATOM 64 N ILE A 5 -2.329 1.657 4.760 1.00 14.32 N ATOM 65 CA ILE A 5 -2.520 0.577 3.771 1.00 63.23 C ATOM 66 C ILE A 5 -2.031 -0.775 4.327 1.00 64.44 C ATOM 67 O ILE A 5 -1.006 -0.845 5.000 1.00 41.33 O ATOM 68 CB ILE A 5 -1.769 0.880 2.444 1.00 13.10 C ATOM 69 CG1 ILE A 5 -2.248 2.216 1.849 1.00 24.25 C ATOM 70 CG2 ILE A 5 -1.964 -0.256 1.436 1.00 44.53 C ATOM 71 CD1 ILE A 5 -1.551 2.610 0.562 1.00 62.41 C ATOM 0 H ILE A 5 -1.379 1.723 5.125 1.00 14.32 H new ATOM 0 HA ILE A 5 -3.589 0.520 3.568 1.00 63.23 H new ATOM 0 HB ILE A 5 -0.705 0.959 2.665 1.00 13.10 H new ATOM 0 HG12 ILE A 5 -3.320 2.154 1.664 1.00 24.25 H new ATOM 0 HG13 ILE A 5 -2.097 3.004 2.587 1.00 24.25 H new ATOM 0 HG21 ILE A 5 -1.429 -0.021 0.516 1.00 44.53 H new ATOM 0 HG22 ILE A 5 -1.576 -1.184 1.855 1.00 44.53 H new ATOM 0 HG23 ILE A 5 -3.026 -0.372 1.219 1.00 44.53 H new ATOM 0 HD11 ILE A 5 -1.947 3.563 0.210 1.00 62.41 H new ATOM 0 HD12 ILE A 5 -0.481 2.707 0.743 1.00 62.41 H new ATOM 0 HD13 ILE A 5 -1.723 1.844 -0.194 1.00 62.41 H new ATOM 83 N ARG A 6 -2.768 -1.850 4.051 1.00 11.21 N ATOM 84 CA ARG A 6 -2.413 -3.185 4.561 1.00 30.23 C ATOM 85 C ARG A 6 -2.595 -4.278 3.492 1.00 35.51 C ATOM 86 O ARG A 6 -3.690 -4.464 2.960 1.00 54.33 O ATOM 87 CB ARG A 6 -3.266 -3.502 5.798 1.00 43.34 C ATOM 88 CG ARG A 6 -2.997 -2.566 6.973 1.00 0.34 C ATOM 89 CD ARG A 6 -4.021 -2.731 8.090 1.00 74.10 C ATOM 90 NE ARG A 6 -3.655 -1.949 9.272 1.00 40.44 N ATOM 91 CZ ARG A 6 -4.249 -0.847 9.647 1.00 14.42 C ATOM 92 NH1 ARG A 6 -5.218 -0.345 8.950 1.00 43.43 N ATOM 93 NH2 ARG A 6 -3.854 -0.233 10.714 1.00 51.31 N ATOM 0 H ARG A 6 -3.613 -1.829 3.480 1.00 11.21 H new ATOM 0 HA ARG A 6 -1.357 -3.174 4.832 1.00 30.23 H new ATOM 0 HB2 ARG A 6 -4.320 -3.442 5.529 1.00 43.34 H new ATOM 0 HB3 ARG A 6 -3.075 -4.529 6.109 1.00 43.34 H new ATOM 0 HG2 ARG A 6 -1.999 -2.758 7.367 1.00 0.34 H new ATOM 0 HG3 ARG A 6 -3.008 -1.534 6.622 1.00 0.34 H new ATOM 0 HD2 ARG A 6 -5.003 -2.418 7.735 1.00 74.10 H new ATOM 0 HD3 ARG A 6 -4.101 -3.784 8.359 1.00 74.10 H new ATOM 0 HE ARG A 6 -2.881 -2.288 9.844 1.00 40.44 H new ATOM 0 HH11 ARG A 6 -5.527 -0.810 8.096 1.00 43.43 H new ATOM 0 HH12 ARG A 6 -5.673 0.516 9.255 1.00 43.43 H new ATOM 0 HH21 ARG A 6 -3.080 -0.609 11.262 1.00 51.31 H new ATOM 0 HH22 ARG A 6 -4.316 0.627 11.008 1.00 51.31 H new ATOM 107 N PHE A 7 -1.513 -4.997 3.183 1.00 64.42 N ATOM 108 CA PHE A 7 -1.557 -6.098 2.208 1.00 12.40 C ATOM 109 C PHE A 7 -1.629 -7.469 2.904 1.00 22.24 C ATOM 110 O PHE A 7 -1.044 -7.670 3.967 1.00 55.44 O ATOM 111 CB PHE A 7 -0.322 -6.060 1.296 1.00 12.43 C ATOM 112 CG PHE A 7 -0.328 -4.943 0.278 1.00 22.42 C ATOM 113 CD1 PHE A 7 0.158 -3.682 0.599 1.00 2.32 C ATOM 114 CD2 PHE A 7 -0.811 -5.160 -1.007 1.00 30.22 C ATOM 115 CE1 PHE A 7 0.164 -2.666 -0.343 1.00 10.32 C ATOM 116 CE2 PHE A 7 -0.801 -4.149 -1.949 1.00 2.02 C ATOM 117 CZ PHE A 7 -0.317 -2.900 -1.615 1.00 12.55 C ATOM 0 H PHE A 7 -0.593 -4.839 3.593 1.00 64.42 H new ATOM 0 HA PHE A 7 -2.459 -5.963 1.611 1.00 12.40 H new ATOM 0 HB2 PHE A 7 0.569 -5.964 1.916 1.00 12.43 H new ATOM 0 HB3 PHE A 7 -0.244 -7.012 0.771 1.00 12.43 H new ATOM 0 HD1 PHE A 7 0.535 -3.492 1.593 1.00 2.32 H new ATOM 0 HD2 PHE A 7 -1.199 -6.132 -1.273 1.00 30.22 H new ATOM 0 HE1 PHE A 7 0.545 -1.690 -0.081 1.00 10.32 H new ATOM 0 HE2 PHE A 7 -1.172 -4.336 -2.946 1.00 2.02 H new ATOM 0 HZ PHE A 7 -0.315 -2.107 -2.348 1.00 12.55 H new ATOM 127 N ARG A 8 -2.354 -8.403 2.296 1.00 31.44 N ATOM 128 CA ARG A 8 -2.415 -9.786 2.782 1.00 33.05 C ATOM 129 C ARG A 8 -2.470 -10.769 1.607 1.00 14.34 C ATOM 130 O ARG A 8 -3.269 -10.596 0.687 1.00 10.22 O ATOM 131 CB ARG A 8 -3.645 -9.995 3.678 1.00 43.00 C ATOM 132 CG ARG A 8 -3.747 -11.411 4.246 1.00 4.14 C ATOM 133 CD ARG A 8 -4.991 -11.595 5.111 1.00 53.41 C ATOM 134 NE ARG A 8 -4.939 -10.787 6.325 1.00 21.21 N ATOM 135 CZ ARG A 8 -5.974 -10.505 7.068 1.00 65.42 C ATOM 136 NH1 ARG A 8 -7.156 -10.932 6.750 1.00 14.04 N ATOM 137 NH2 ARG A 8 -5.810 -9.802 8.137 1.00 23.54 N ATOM 0 H ARG A 8 -2.912 -8.230 1.460 1.00 31.44 H new ATOM 0 HA ARG A 8 -1.513 -9.973 3.365 1.00 33.05 H new ATOM 0 HB2 ARG A 8 -3.611 -9.282 4.502 1.00 43.00 H new ATOM 0 HB3 ARG A 8 -4.545 -9.776 3.104 1.00 43.00 H new ATOM 0 HG2 ARG A 8 -3.767 -12.129 3.426 1.00 4.14 H new ATOM 0 HG3 ARG A 8 -2.858 -11.628 4.839 1.00 4.14 H new ATOM 0 HD2 ARG A 8 -5.876 -11.326 4.534 1.00 53.41 H new ATOM 0 HD3 ARG A 8 -5.093 -12.646 5.380 1.00 53.41 H new ATOM 0 HE ARG A 8 -4.033 -10.418 6.612 1.00 21.21 H new ATOM 0 HH11 ARG A 8 -7.286 -11.496 5.910 1.00 14.04 H new ATOM 0 HH12 ARG A 8 -7.956 -10.704 7.340 1.00 14.04 H new ATOM 0 HH21 ARG A 8 -4.879 -9.473 8.393 1.00 23.54 H new ATOM 0 HH22 ARG A 8 -6.611 -9.575 8.726 1.00 23.54 H new ATOM 151 N GLY A 9 -1.634 -11.802 1.631 1.00 62.51 N ATOM 152 CA GLY A 9 -1.674 -12.792 0.563 1.00 73.21 C ATOM 153 C GLY A 9 -0.498 -13.761 0.560 1.00 43.12 C ATOM 154 O GLY A 9 0.025 -14.126 1.618 1.00 5.50 O ATOM 0 H GLY A 9 -0.939 -11.973 2.357 1.00 62.51 H new ATOM 0 HA2 GLY A 9 -2.599 -13.362 0.647 1.00 73.21 H new ATOM 0 HA3 GLY A 9 -1.705 -12.274 -0.395 1.00 73.21 H new ATOM 158 N ASP A 10 -0.083 -14.169 -0.638 1.00 72.12 N ATOM 159 CA ASP A 10 0.971 -15.173 -0.807 1.00 72.20 C ATOM 160 C ASP A 10 1.921 -14.794 -1.965 1.00 22.12 C ATOM 161 O ASP A 10 1.671 -13.818 -2.676 1.00 71.02 O ATOM 162 CB ASP A 10 0.321 -16.544 -1.057 1.00 11.10 C ATOM 163 CG ASP A 10 1.328 -17.678 -1.122 1.00 50.05 C ATOM 164 OD1 ASP A 10 2.196 -17.753 -0.231 1.00 13.45 O ATOM 165 OD2 ASP A 10 1.273 -18.491 -2.067 1.00 44.42 O ATOM 0 H ASP A 10 -0.464 -13.816 -1.516 1.00 72.12 H new ATOM 0 HA ASP A 10 1.572 -15.217 0.101 1.00 72.20 H new ATOM 0 HB2 ASP A 10 -0.397 -16.749 -0.263 1.00 11.10 H new ATOM 0 HB3 ASP A 10 -0.239 -16.509 -1.992 1.00 11.10 H new ATOM 170 N ASP A 11 2.997 -15.583 -2.130 1.00 2.44 N ATOM 171 CA ASP A 11 4.004 -15.401 -3.196 1.00 53.02 C ATOM 172 C ASP A 11 5.091 -14.378 -2.800 1.00 31.35 C ATOM 173 O ASP A 11 4.802 -13.320 -2.235 1.00 22.42 O ATOM 174 CB ASP A 11 3.350 -15.014 -4.534 1.00 23.22 C ATOM 175 CG ASP A 11 4.356 -14.941 -5.668 1.00 74.13 C ATOM 176 OD1 ASP A 11 4.727 -16.004 -6.203 1.00 12.53 O ATOM 177 OD2 ASP A 11 4.788 -13.825 -6.021 1.00 65.44 O ATOM 0 H ASP A 11 3.196 -16.376 -1.520 1.00 2.44 H new ATOM 0 HA ASP A 11 4.495 -16.365 -3.328 1.00 53.02 H new ATOM 0 HB2 ASP A 11 2.578 -15.742 -4.783 1.00 23.22 H new ATOM 0 HB3 ASP A 11 2.855 -14.049 -4.428 1.00 23.22 H new ATOM 182 N LEU A 12 6.350 -14.712 -3.105 1.00 31.34 N ATOM 183 CA LEU A 12 7.492 -13.857 -2.755 1.00 21.15 C ATOM 184 C LEU A 12 7.498 -12.554 -3.569 1.00 23.24 C ATOM 185 O LEU A 12 7.636 -11.461 -3.007 1.00 13.54 O ATOM 186 CB LEU A 12 8.808 -14.616 -2.971 1.00 23.13 C ATOM 187 CG LEU A 12 10.087 -13.852 -2.585 1.00 51.53 C ATOM 188 CD1 LEU A 12 10.079 -13.491 -1.101 1.00 73.32 C ATOM 189 CD2 LEU A 12 11.329 -14.670 -2.938 1.00 42.32 C ATOM 0 H LEU A 12 6.605 -15.570 -3.594 1.00 31.34 H new ATOM 0 HA LEU A 12 7.395 -13.592 -1.702 1.00 21.15 H new ATOM 0 HB2 LEU A 12 8.772 -15.541 -2.396 1.00 23.13 H new ATOM 0 HB3 LEU A 12 8.877 -14.896 -4.022 1.00 23.13 H new ATOM 0 HG LEU A 12 10.115 -12.924 -3.157 1.00 51.53 H new ATOM 0 HD11 LEU A 12 10.993 -12.952 -0.853 1.00 73.32 H new ATOM 0 HD12 LEU A 12 9.216 -12.861 -0.884 1.00 73.32 H new ATOM 0 HD13 LEU A 12 10.022 -14.402 -0.505 1.00 73.32 H new ATOM 0 HD21 LEU A 12 12.223 -14.113 -2.658 1.00 42.32 H new ATOM 0 HD22 LEU A 12 11.307 -15.617 -2.398 1.00 42.32 H new ATOM 0 HD23 LEU A 12 11.344 -14.864 -4.010 1.00 42.32 H new ATOM 201 N GLU A 13 7.343 -12.665 -4.891 1.00 54.33 N ATOM 202 CA GLU A 13 7.324 -11.481 -5.758 1.00 24.23 C ATOM 203 C GLU A 13 6.185 -10.535 -5.378 1.00 23.01 C ATOM 204 O GLU A 13 6.324 -9.319 -5.474 1.00 72.53 O ATOM 205 CB GLU A 13 7.200 -11.861 -7.237 1.00 12.44 C ATOM 206 CG GLU A 13 8.417 -12.575 -7.805 1.00 62.50 C ATOM 207 CD GLU A 13 8.330 -12.734 -9.313 1.00 12.12 C ATOM 208 OE1 GLU A 13 7.713 -13.716 -9.779 1.00 2.11 O ATOM 209 OE2 GLU A 13 8.854 -11.861 -10.040 1.00 70.10 O ATOM 0 H GLU A 13 7.230 -13.552 -5.382 1.00 54.33 H new ATOM 0 HA GLU A 13 8.276 -10.971 -5.610 1.00 24.23 H new ATOM 0 HB2 GLU A 13 6.326 -12.501 -7.364 1.00 12.44 H new ATOM 0 HB3 GLU A 13 7.020 -10.957 -7.818 1.00 12.44 H new ATOM 0 HG2 GLU A 13 9.317 -12.016 -7.551 1.00 62.50 H new ATOM 0 HG3 GLU A 13 8.510 -13.557 -7.342 1.00 62.50 H new ATOM 216 N ALA A 14 5.063 -11.095 -4.940 1.00 1.40 N ATOM 217 CA ALA A 14 3.939 -10.283 -4.472 1.00 63.31 C ATOM 218 C ALA A 14 4.395 -9.298 -3.386 1.00 72.20 C ATOM 219 O ALA A 14 4.049 -8.118 -3.417 1.00 15.50 O ATOM 220 CB ALA A 14 2.823 -11.177 -3.946 1.00 0.53 C ATOM 0 H ALA A 14 4.905 -12.102 -4.898 1.00 1.40 H new ATOM 0 HA ALA A 14 3.556 -9.708 -5.315 1.00 63.31 H new ATOM 0 HB1 ALA A 14 1.994 -10.559 -3.601 1.00 0.53 H new ATOM 0 HB2 ALA A 14 2.478 -11.836 -4.743 1.00 0.53 H new ATOM 0 HB3 ALA A 14 3.198 -11.777 -3.117 1.00 0.53 H new ATOM 226 N PHE A 15 5.199 -9.790 -2.446 1.00 41.14 N ATOM 227 CA PHE A 15 5.757 -8.951 -1.383 1.00 15.45 C ATOM 228 C PHE A 15 6.732 -7.896 -1.936 1.00 12.43 C ATOM 229 O PHE A 15 6.510 -6.693 -1.783 1.00 54.14 O ATOM 230 CB PHE A 15 6.468 -9.828 -0.338 1.00 23.21 C ATOM 231 CG PHE A 15 7.329 -9.047 0.630 1.00 61.24 C ATOM 232 CD1 PHE A 15 6.765 -8.111 1.488 1.00 31.32 C ATOM 233 CD2 PHE A 15 8.705 -9.241 0.671 1.00 74.11 C ATOM 234 CE1 PHE A 15 7.555 -7.387 2.362 1.00 12.40 C ATOM 235 CE2 PHE A 15 9.497 -8.518 1.544 1.00 63.24 C ATOM 236 CZ PHE A 15 8.920 -7.592 2.392 1.00 24.14 C ATOM 0 H PHE A 15 5.481 -10.769 -2.397 1.00 41.14 H new ATOM 0 HA PHE A 15 4.929 -8.421 -0.913 1.00 15.45 H new ATOM 0 HB2 PHE A 15 5.719 -10.386 0.225 1.00 23.21 H new ATOM 0 HB3 PHE A 15 7.090 -10.560 -0.854 1.00 23.21 H new ATOM 0 HD1 PHE A 15 5.698 -7.947 1.472 1.00 31.32 H new ATOM 0 HD2 PHE A 15 9.161 -9.966 0.013 1.00 74.11 H new ATOM 0 HE1 PHE A 15 7.104 -6.661 3.022 1.00 12.40 H new ATOM 0 HE2 PHE A 15 10.565 -8.677 1.563 1.00 63.24 H new ATOM 0 HZ PHE A 15 9.536 -7.029 3.078 1.00 24.14 H new ATOM 246 N GLU A 16 7.807 -8.348 -2.587 1.00 63.12 N ATOM 247 CA GLU A 16 8.880 -7.443 -3.024 1.00 65.31 C ATOM 248 C GLU A 16 8.411 -6.441 -4.096 1.00 10.11 C ATOM 249 O GLU A 16 8.767 -5.264 -4.048 1.00 50.31 O ATOM 250 CB GLU A 16 10.092 -8.236 -3.544 1.00 75.41 C ATOM 251 CG GLU A 16 9.804 -9.092 -4.773 1.00 61.23 C ATOM 252 CD GLU A 16 11.067 -9.650 -5.408 1.00 34.34 C ATOM 253 OE1 GLU A 16 11.689 -8.935 -6.225 1.00 1.23 O ATOM 254 OE2 GLU A 16 11.451 -10.794 -5.090 1.00 41.43 O ATOM 0 H GLU A 16 7.960 -9.328 -2.823 1.00 63.12 H new ATOM 0 HA GLU A 16 9.174 -6.870 -2.145 1.00 65.31 H new ATOM 0 HB2 GLU A 16 10.893 -7.537 -3.783 1.00 75.41 H new ATOM 0 HB3 GLU A 16 10.459 -8.880 -2.745 1.00 75.41 H new ATOM 0 HG2 GLU A 16 9.149 -9.917 -4.491 1.00 61.23 H new ATOM 0 HG3 GLU A 16 9.266 -8.495 -5.509 1.00 61.23 H new ATOM 261 N LYS A 17 7.617 -6.904 -5.060 1.00 60.20 N ATOM 262 CA LYS A 17 7.152 -6.042 -6.154 1.00 42.44 C ATOM 263 C LYS A 17 6.110 -5.022 -5.667 1.00 54.20 C ATOM 264 O LYS A 17 6.201 -3.835 -5.987 1.00 73.43 O ATOM 265 CB LYS A 17 6.571 -6.884 -7.300 1.00 70.31 C ATOM 266 CG LYS A 17 7.557 -7.881 -7.913 1.00 13.32 C ATOM 267 CD LYS A 17 8.779 -7.188 -8.514 1.00 33.22 C ATOM 268 CE LYS A 17 9.741 -8.188 -9.151 1.00 42.03 C ATOM 269 NZ LYS A 17 9.114 -8.932 -10.278 1.00 61.41 N ATOM 0 H LYS A 17 7.282 -7.866 -5.109 1.00 60.20 H new ATOM 0 HA LYS A 17 8.017 -5.490 -6.523 1.00 42.44 H new ATOM 0 HB2 LYS A 17 5.703 -7.430 -6.930 1.00 70.31 H new ATOM 0 HB3 LYS A 17 6.216 -6.214 -8.083 1.00 70.31 H new ATOM 0 HG2 LYS A 17 7.881 -8.586 -7.148 1.00 13.32 H new ATOM 0 HG3 LYS A 17 7.052 -8.460 -8.687 1.00 13.32 H new ATOM 0 HD2 LYS A 17 8.455 -6.466 -9.264 1.00 33.22 H new ATOM 0 HD3 LYS A 17 9.299 -6.628 -7.736 1.00 33.22 H new ATOM 0 HE2 LYS A 17 10.624 -7.661 -9.513 1.00 42.03 H new ATOM 0 HE3 LYS A 17 10.080 -8.896 -8.395 1.00 42.03 H new ATOM 0 HZ1 LYS A 17 8.999 -9.931 -10.013 1.00 61.41 H new ATOM 0 HZ2 LYS A 17 8.183 -8.520 -10.490 1.00 61.41 H new ATOM 0 HZ3 LYS A 17 9.722 -8.865 -11.119 1.00 61.41 H new ATOM 283 N ALA A 18 5.125 -5.480 -4.892 1.00 53.00 N ATOM 284 CA ALA A 18 4.104 -4.578 -4.344 1.00 73.22 C ATOM 285 C ALA A 18 4.738 -3.516 -3.435 1.00 43.23 C ATOM 286 O ALA A 18 4.469 -2.323 -3.575 1.00 73.45 O ATOM 287 CB ALA A 18 3.041 -5.362 -3.584 1.00 53.42 C ATOM 0 H ALA A 18 5.011 -6.459 -4.630 1.00 53.00 H new ATOM 0 HA ALA A 18 3.625 -4.069 -5.180 1.00 73.22 H new ATOM 0 HB1 ALA A 18 2.295 -4.673 -3.187 1.00 53.42 H new ATOM 0 HB2 ALA A 18 2.559 -6.069 -4.259 1.00 53.42 H new ATOM 0 HB3 ALA A 18 3.508 -5.905 -2.762 1.00 53.42 H new ATOM 293 N LEU A 19 5.591 -3.959 -2.509 1.00 32.21 N ATOM 294 CA LEU A 19 6.318 -3.039 -1.628 1.00 64.45 C ATOM 295 C LEU A 19 7.166 -2.051 -2.446 1.00 50.03 C ATOM 296 O LEU A 19 7.180 -0.852 -2.167 1.00 30.54 O ATOM 297 CB LEU A 19 7.216 -3.824 -0.657 1.00 20.34 C ATOM 298 CG LEU A 19 8.003 -2.974 0.359 1.00 41.33 C ATOM 299 CD1 LEU A 19 7.058 -2.202 1.276 1.00 61.00 C ATOM 300 CD2 LEU A 19 8.958 -3.848 1.175 1.00 31.55 C ATOM 0 H LEU A 19 5.796 -4.945 -2.349 1.00 32.21 H new ATOM 0 HA LEU A 19 5.585 -2.472 -1.054 1.00 64.45 H new ATOM 0 HB2 LEU A 19 6.595 -4.531 -0.108 1.00 20.34 H new ATOM 0 HB3 LEU A 19 7.926 -4.410 -1.241 1.00 20.34 H new ATOM 0 HG LEU A 19 8.597 -2.250 -0.198 1.00 41.33 H new ATOM 0 HD11 LEU A 19 7.640 -1.611 1.983 1.00 61.00 H new ATOM 0 HD12 LEU A 19 6.431 -1.540 0.678 1.00 61.00 H new ATOM 0 HD13 LEU A 19 6.427 -2.903 1.822 1.00 61.00 H new ATOM 0 HD21 LEU A 19 9.503 -3.226 1.886 1.00 31.55 H new ATOM 0 HD22 LEU A 19 8.388 -4.603 1.716 1.00 31.55 H new ATOM 0 HD23 LEU A 19 9.665 -4.338 0.505 1.00 31.55 H new ATOM 312 N LYS A 20 7.861 -2.564 -3.464 1.00 11.34 N ATOM 313 CA LYS A 20 8.700 -1.732 -4.337 1.00 71.12 C ATOM 314 C LYS A 20 7.890 -0.601 -4.994 1.00 54.12 C ATOM 315 O LYS A 20 8.315 0.555 -4.994 1.00 60.24 O ATOM 316 CB LYS A 20 9.367 -2.592 -5.419 1.00 61.43 C ATOM 317 CG LYS A 20 10.278 -1.806 -6.358 1.00 2.43 C ATOM 318 CD LYS A 20 11.402 -1.099 -5.600 1.00 12.44 C ATOM 319 CE LYS A 20 12.319 -0.326 -6.541 1.00 32.51 C ATOM 320 NZ LYS A 20 12.942 -1.213 -7.557 1.00 50.01 N ATOM 0 H LYS A 20 7.861 -3.555 -3.706 1.00 11.34 H new ATOM 0 HA LYS A 20 9.469 -1.278 -3.713 1.00 71.12 H new ATOM 0 HB2 LYS A 20 9.949 -3.378 -4.937 1.00 61.43 H new ATOM 0 HB3 LYS A 20 8.592 -3.084 -6.007 1.00 61.43 H new ATOM 0 HG2 LYS A 20 10.708 -2.482 -7.097 1.00 2.43 H new ATOM 0 HG3 LYS A 20 9.689 -1.069 -6.904 1.00 2.43 H new ATOM 0 HD2 LYS A 20 10.973 -0.415 -4.868 1.00 12.44 H new ATOM 0 HD3 LYS A 20 11.986 -1.834 -5.046 1.00 12.44 H new ATOM 0 HE2 LYS A 20 11.749 0.456 -7.042 1.00 32.51 H new ATOM 0 HE3 LYS A 20 13.099 0.169 -5.963 1.00 32.51 H new ATOM 0 HZ1 LYS A 20 13.727 -0.712 -8.020 1.00 50.01 H new ATOM 0 HZ2 LYS A 20 13.304 -2.071 -7.094 1.00 50.01 H new ATOM 0 HZ3 LYS A 20 12.232 -1.478 -8.269 1.00 50.01 H new ATOM 334 N GLU A 21 6.731 -0.939 -5.555 1.00 50.14 N ATOM 335 CA GLU A 21 5.841 0.064 -6.155 1.00 15.44 C ATOM 336 C GLU A 21 5.413 1.127 -5.129 1.00 3.25 C ATOM 337 O GLU A 21 5.322 2.315 -5.450 1.00 51.42 O ATOM 338 CB GLU A 21 4.608 -0.617 -6.765 1.00 3.53 C ATOM 339 CG GLU A 21 4.884 -1.319 -8.091 1.00 45.41 C ATOM 340 CD GLU A 21 5.165 -0.336 -9.220 1.00 54.43 C ATOM 341 OE1 GLU A 21 4.193 0.195 -9.798 1.00 34.10 O ATOM 342 OE2 GLU A 21 6.346 -0.079 -9.527 1.00 3.40 O ATOM 0 H GLU A 21 6.383 -1.896 -5.609 1.00 50.14 H new ATOM 0 HA GLU A 21 6.395 0.571 -6.945 1.00 15.44 H new ATOM 0 HB2 GLU A 21 4.218 -1.345 -6.054 1.00 3.53 H new ATOM 0 HB3 GLU A 21 3.829 0.131 -6.916 1.00 3.53 H new ATOM 0 HG2 GLU A 21 5.737 -1.988 -7.974 1.00 45.41 H new ATOM 0 HG3 GLU A 21 4.027 -1.938 -8.357 1.00 45.41 H new ATOM 349 N MET A 22 5.159 0.699 -3.894 1.00 74.02 N ATOM 350 CA MET A 22 4.808 1.631 -2.815 1.00 43.14 C ATOM 351 C MET A 22 6.003 2.527 -2.449 1.00 72.44 C ATOM 352 O MET A 22 5.835 3.714 -2.166 1.00 72.25 O ATOM 353 CB MET A 22 4.311 0.865 -1.582 1.00 62.53 C ATOM 354 CG MET A 22 3.114 -0.035 -1.867 1.00 41.34 C ATOM 355 SD MET A 22 1.765 0.834 -2.699 1.00 62.03 S ATOM 356 CE MET A 22 1.358 2.092 -1.491 1.00 51.21 C ATOM 0 H MET A 22 5.188 -0.281 -3.613 1.00 74.02 H new ATOM 0 HA MET A 22 4.002 2.273 -3.172 1.00 43.14 H new ATOM 0 HB2 MET A 22 5.126 0.258 -1.188 1.00 62.53 H new ATOM 0 HB3 MET A 22 4.041 1.580 -0.804 1.00 62.53 H new ATOM 0 HG2 MET A 22 3.435 -0.874 -2.485 1.00 41.34 H new ATOM 0 HG3 MET A 22 2.747 -0.452 -0.929 1.00 41.34 H new ATOM 0 HE1 MET A 22 0.322 2.404 -1.625 1.00 51.21 H new ATOM 0 HE2 MET A 22 1.488 1.688 -0.487 1.00 51.21 H new ATOM 0 HE3 MET A 22 2.015 2.951 -1.625 1.00 51.21 H new ATOM 366 N ILE A 23 7.210 1.957 -2.463 1.00 65.42 N ATOM 367 CA ILE A 23 8.439 2.734 -2.243 1.00 1.02 C ATOM 368 C ILE A 23 8.645 3.753 -3.378 1.00 33.22 C ATOM 369 O ILE A 23 9.044 4.897 -3.143 1.00 12.52 O ATOM 370 CB ILE A 23 9.686 1.814 -2.146 1.00 45.12 C ATOM 371 CG1 ILE A 23 9.543 0.836 -0.966 1.00 61.14 C ATOM 372 CG2 ILE A 23 10.964 2.644 -2.005 1.00 41.31 C ATOM 373 CD1 ILE A 23 10.684 -0.152 -0.848 1.00 43.31 C ATOM 0 H ILE A 23 7.366 0.962 -2.624 1.00 65.42 H new ATOM 0 HA ILE A 23 8.323 3.261 -1.296 1.00 1.02 H new ATOM 0 HB ILE A 23 9.757 1.236 -3.067 1.00 45.12 H new ATOM 0 HG12 ILE A 23 9.472 1.407 -0.040 1.00 61.14 H new ATOM 0 HG13 ILE A 23 8.608 0.286 -1.074 1.00 61.14 H new ATOM 0 HG21 ILE A 23 11.825 1.978 -1.939 1.00 41.31 H new ATOM 0 HG22 ILE A 23 11.074 3.294 -2.873 1.00 41.31 H new ATOM 0 HG23 ILE A 23 10.905 3.252 -1.102 1.00 41.31 H new ATOM 0 HD11 ILE A 23 10.511 -0.807 0.006 1.00 43.31 H new ATOM 0 HD12 ILE A 23 10.743 -0.750 -1.757 1.00 43.31 H new ATOM 0 HD13 ILE A 23 11.620 0.388 -0.708 1.00 43.31 H new ATOM 385 N ARG A 24 8.356 3.329 -4.609 1.00 43.54 N ATOM 386 CA ARG A 24 8.432 4.209 -5.780 1.00 0.43 C ATOM 387 C ARG A 24 7.522 5.436 -5.597 1.00 74.10 C ATOM 388 O ARG A 24 7.898 6.565 -5.923 1.00 2.14 O ATOM 389 CB ARG A 24 8.038 3.431 -7.048 1.00 65.44 C ATOM 390 CG ARG A 24 8.147 4.244 -8.334 1.00 42.52 C ATOM 391 CD ARG A 24 7.842 3.401 -9.567 1.00 35.22 C ATOM 392 NE ARG A 24 7.916 4.193 -10.795 1.00 3.31 N ATOM 393 CZ ARG A 24 8.613 3.858 -11.846 1.00 24.45 C ATOM 394 NH1 ARG A 24 9.291 2.753 -11.867 1.00 1.41 N ATOM 395 NH2 ARG A 24 8.623 4.628 -12.884 1.00 41.22 N ATOM 0 H ARG A 24 8.065 2.375 -4.823 1.00 43.54 H new ATOM 0 HA ARG A 24 9.458 4.560 -5.887 1.00 0.43 H new ATOM 0 HB2 ARG A 24 8.673 2.549 -7.133 1.00 65.44 H new ATOM 0 HB3 ARG A 24 7.013 3.076 -6.940 1.00 65.44 H new ATOM 0 HG2 ARG A 24 7.457 5.087 -8.290 1.00 42.52 H new ATOM 0 HG3 ARG A 24 9.152 4.659 -8.417 1.00 42.52 H new ATOM 0 HD2 ARG A 24 8.548 2.572 -9.625 1.00 35.22 H new ATOM 0 HD3 ARG A 24 6.847 2.966 -9.474 1.00 35.22 H new ATOM 0 HE ARG A 24 7.388 5.065 -10.832 1.00 3.31 H new ATOM 0 HH11 ARG A 24 9.283 2.134 -11.056 1.00 1.41 H new ATOM 0 HH12 ARG A 24 9.832 2.502 -12.695 1.00 1.41 H new ATOM 0 HH21 ARG A 24 8.087 5.496 -12.881 1.00 41.22 H new ATOM 0 HH22 ARG A 24 9.167 4.368 -13.707 1.00 41.22 H new ATOM 409 N GLN A 25 6.324 5.204 -5.062 1.00 14.44 N ATOM 410 CA GLN A 25 5.409 6.292 -4.705 1.00 30.54 C ATOM 411 C GLN A 25 5.990 7.134 -3.557 1.00 14.14 C ATOM 412 O GLN A 25 5.979 8.365 -3.602 1.00 3.33 O ATOM 413 CB GLN A 25 4.045 5.723 -4.284 1.00 22.22 C ATOM 414 CG GLN A 25 3.390 4.834 -5.338 1.00 11.12 C ATOM 415 CD GLN A 25 2.133 4.143 -4.830 1.00 32.30 C ATOM 416 OE1 GLN A 25 1.409 4.669 -3.995 1.00 73.54 O ATOM 417 NE2 GLN A 25 1.873 2.948 -5.322 1.00 41.53 N ATOM 0 H GLN A 25 5.962 4.271 -4.865 1.00 14.44 H new ATOM 0 HA GLN A 25 5.280 6.929 -5.580 1.00 30.54 H new ATOM 0 HB2 GLN A 25 4.170 5.149 -3.366 1.00 22.22 H new ATOM 0 HB3 GLN A 25 3.374 6.550 -4.053 1.00 22.22 H new ATOM 0 HG2 GLN A 25 3.140 5.437 -6.211 1.00 11.12 H new ATOM 0 HG3 GLN A 25 4.106 4.080 -5.666 1.00 11.12 H new ATOM 0 HE21 GLN A 25 2.496 2.536 -6.017 1.00 41.53 H new ATOM 0 HE22 GLN A 25 1.049 2.435 -5.008 1.00 41.53 H new ATOM 426 N ALA A 26 6.511 6.447 -2.541 1.00 33.44 N ATOM 427 CA ALA A 26 7.078 7.093 -1.349 1.00 61.33 C ATOM 428 C ALA A 26 8.189 8.098 -1.691 1.00 32.15 C ATOM 429 O ALA A 26 8.337 9.121 -1.021 1.00 24.24 O ATOM 430 CB ALA A 26 7.609 6.034 -0.391 1.00 65.05 C ATOM 0 H ALA A 26 6.554 5.428 -2.517 1.00 33.44 H new ATOM 0 HA ALA A 26 6.274 7.656 -0.875 1.00 61.33 H new ATOM 0 HB1 ALA A 26 8.028 6.518 0.491 1.00 65.05 H new ATOM 0 HB2 ALA A 26 6.795 5.374 -0.090 1.00 65.05 H new ATOM 0 HB3 ALA A 26 8.384 5.450 -0.887 1.00 65.05 H new ATOM 436 N ARG A 27 8.970 7.805 -2.731 1.00 52.23 N ATOM 437 CA ARG A 27 10.033 8.718 -3.176 1.00 62.31 C ATOM 438 C ARG A 27 9.455 10.062 -3.658 1.00 71.25 C ATOM 439 O ARG A 27 10.112 11.100 -3.569 1.00 43.22 O ATOM 440 CB ARG A 27 10.865 8.081 -4.299 1.00 54.44 C ATOM 441 CG ARG A 27 11.516 6.747 -3.930 1.00 14.32 C ATOM 442 CD ARG A 27 12.285 6.811 -2.610 1.00 14.33 C ATOM 443 NE ARG A 27 13.230 7.929 -2.556 1.00 24.15 N ATOM 444 CZ ARG A 27 14.306 7.940 -1.813 1.00 70.45 C ATOM 445 NH1 ARG A 27 14.664 6.881 -1.152 1.00 23.52 N ATOM 446 NH2 ARG A 27 15.037 9.007 -1.750 1.00 64.11 N ATOM 0 H ARG A 27 8.891 6.949 -3.281 1.00 52.23 H new ATOM 0 HA ARG A 27 10.677 8.907 -2.318 1.00 62.31 H new ATOM 0 HB2 ARG A 27 10.224 7.930 -5.167 1.00 54.44 H new ATOM 0 HB3 ARG A 27 11.645 8.781 -4.597 1.00 54.44 H new ATOM 0 HG2 ARG A 27 10.746 5.979 -3.860 1.00 14.32 H new ATOM 0 HG3 ARG A 27 12.195 6.446 -4.727 1.00 14.32 H new ATOM 0 HD2 ARG A 27 11.577 6.900 -1.786 1.00 14.33 H new ATOM 0 HD3 ARG A 27 12.827 5.876 -2.465 1.00 14.33 H new ATOM 0 HE ARG A 27 13.037 8.748 -3.133 1.00 24.15 H new ATOM 0 HH11 ARG A 27 14.104 6.030 -1.210 1.00 23.52 H new ATOM 0 HH12 ARG A 27 15.505 6.900 -0.575 1.00 23.52 H new ATOM 0 HH21 ARG A 27 14.773 9.838 -2.280 1.00 64.11 H new ATOM 0 HH22 ARG A 27 15.876 9.017 -1.171 1.00 64.11 H new ATOM 460 N LYS A 28 8.224 10.027 -4.174 1.00 55.23 N ATOM 461 CA LYS A 28 7.533 11.234 -4.644 1.00 34.14 C ATOM 462 C LYS A 28 6.919 12.037 -3.484 1.00 41.54 C ATOM 463 O LYS A 28 6.597 13.218 -3.639 1.00 33.23 O ATOM 464 CB LYS A 28 6.438 10.851 -5.653 1.00 10.22 C ATOM 465 CG LYS A 28 6.967 10.539 -7.052 1.00 10.04 C ATOM 466 CD LYS A 28 7.480 11.798 -7.749 1.00 24.10 C ATOM 467 CE LYS A 28 6.364 12.819 -7.960 1.00 41.03 C ATOM 468 NZ LYS A 28 6.876 14.105 -8.497 1.00 53.53 N ATOM 0 H LYS A 28 7.681 9.170 -4.278 1.00 55.23 H new ATOM 0 HA LYS A 28 8.274 11.870 -5.128 1.00 34.14 H new ATOM 0 HB2 LYS A 28 5.899 9.981 -5.277 1.00 10.22 H new ATOM 0 HB3 LYS A 28 5.719 11.667 -5.721 1.00 10.22 H new ATOM 0 HG2 LYS A 28 7.771 9.806 -6.983 1.00 10.04 H new ATOM 0 HG3 LYS A 28 6.175 10.088 -7.650 1.00 10.04 H new ATOM 0 HD2 LYS A 28 8.275 12.246 -7.153 1.00 24.10 H new ATOM 0 HD3 LYS A 28 7.915 11.530 -8.712 1.00 24.10 H new ATOM 0 HE2 LYS A 28 5.624 12.409 -8.647 1.00 41.03 H new ATOM 0 HE3 LYS A 28 5.855 12.999 -7.013 1.00 41.03 H new ATOM 0 HZ1 LYS A 28 6.085 14.768 -8.624 1.00 53.53 H new ATOM 0 HZ2 LYS A 28 7.563 14.511 -7.830 1.00 53.53 H new ATOM 0 HZ3 LYS A 28 7.339 13.939 -9.413 1.00 53.53 H new ATOM 482 N PHE A 29 6.752 11.395 -2.330 1.00 20.40 N ATOM 483 CA PHE A 29 6.150 12.046 -1.160 1.00 22.13 C ATOM 484 C PHE A 29 7.219 12.635 -0.224 1.00 24.53 C ATOM 485 O PHE A 29 8.125 11.930 0.228 1.00 20.03 O ATOM 486 CB PHE A 29 5.281 11.052 -0.376 1.00 52.53 C ATOM 487 CG PHE A 29 4.214 10.387 -1.209 1.00 2.33 C ATOM 488 CD1 PHE A 29 3.411 11.134 -2.058 1.00 33.20 C ATOM 489 CD2 PHE A 29 4.013 9.016 -1.141 1.00 11.43 C ATOM 490 CE1 PHE A 29 2.435 10.527 -2.823 1.00 21.41 C ATOM 491 CE2 PHE A 29 3.036 8.405 -1.902 1.00 20.01 C ATOM 492 CZ PHE A 29 2.248 9.161 -2.745 1.00 31.23 C ATOM 0 H PHE A 29 7.024 10.424 -2.176 1.00 20.40 H new ATOM 0 HA PHE A 29 5.529 12.861 -1.531 1.00 22.13 H new ATOM 0 HB2 PHE A 29 5.923 10.284 0.055 1.00 52.53 H new ATOM 0 HB3 PHE A 29 4.807 11.575 0.455 1.00 52.53 H new ATOM 0 HD1 PHE A 29 3.551 12.203 -2.121 1.00 33.20 H new ATOM 0 HD2 PHE A 29 4.629 8.419 -0.484 1.00 11.43 H new ATOM 0 HE1 PHE A 29 1.818 11.120 -3.482 1.00 21.41 H new ATOM 0 HE2 PHE A 29 2.889 7.337 -1.837 1.00 20.01 H new ATOM 0 HZ PHE A 29 1.485 8.685 -3.344 1.00 31.23 H new ATOM 502 N ALA A 30 7.097 13.927 0.075 1.00 4.31 N ATOM 503 CA ALA A 30 8.015 14.598 1.001 1.00 43.15 C ATOM 504 C ALA A 30 7.653 14.290 2.466 1.00 24.30 C ATOM 505 O ALA A 30 7.374 15.195 3.260 1.00 25.51 O ATOM 506 CB ALA A 30 8.010 16.103 0.743 1.00 4.55 C ATOM 0 H ALA A 30 6.372 14.533 -0.309 1.00 4.31 H new ATOM 0 HA ALA A 30 9.021 14.216 0.826 1.00 43.15 H new ATOM 0 HB1 ALA A 30 8.695 16.593 1.435 1.00 4.55 H new ATOM 0 HB2 ALA A 30 8.328 16.298 -0.281 1.00 4.55 H new ATOM 0 HB3 ALA A 30 7.003 16.494 0.890 1.00 4.55 H new ATOM 512 N GLY A 31 7.667 13.003 2.813 1.00 62.25 N ATOM 513 CA GLY A 31 7.310 12.574 4.162 1.00 0.25 C ATOM 514 C GLY A 31 8.018 11.290 4.588 1.00 2.33 C ATOM 515 O GLY A 31 9.215 11.119 4.339 1.00 44.54 O ATOM 0 H GLY A 31 7.921 12.244 2.181 1.00 62.25 H new ATOM 0 HA2 GLY A 31 7.556 13.368 4.867 1.00 0.25 H new ATOM 0 HA3 GLY A 31 6.232 12.423 4.216 1.00 0.25 H new ATOM 519 N THR A 32 7.277 10.380 5.223 1.00 73.10 N ATOM 520 CA THR A 32 7.854 9.138 5.764 1.00 71.43 C ATOM 521 C THR A 32 6.901 7.943 5.599 1.00 13.42 C ATOM 522 O THR A 32 5.695 8.071 5.793 1.00 10.14 O ATOM 523 CB THR A 32 8.204 9.295 7.268 1.00 42.05 C ATOM 524 OG1 THR A 32 9.220 10.300 7.440 1.00 24.20 O ATOM 525 CG2 THR A 32 8.686 7.980 7.871 1.00 54.31 C ATOM 0 H THR A 32 6.273 10.476 5.378 1.00 73.10 H new ATOM 0 HA THR A 32 8.762 8.945 5.193 1.00 71.43 H new ATOM 0 HB THR A 32 7.294 9.598 7.787 1.00 42.05 H new ATOM 0 HG1 THR A 32 9.432 10.392 8.392 1.00 24.20 H new ATOM 0 HG21 THR A 32 8.922 8.128 8.925 1.00 54.31 H new ATOM 0 HG22 THR A 32 7.903 7.228 7.776 1.00 54.31 H new ATOM 0 HG23 THR A 32 9.578 7.643 7.343 1.00 54.31 H new ATOM 533 N VAL A 33 7.457 6.784 5.236 1.00 14.34 N ATOM 534 CA VAL A 33 6.674 5.546 5.076 1.00 70.34 C ATOM 535 C VAL A 33 7.191 4.426 5.995 1.00 30.21 C ATOM 536 O VAL A 33 8.399 4.218 6.125 1.00 13.42 O ATOM 537 CB VAL A 33 6.697 5.052 3.606 1.00 60.33 C ATOM 538 CG1 VAL A 33 5.917 3.746 3.449 1.00 23.30 C ATOM 539 CG2 VAL A 33 6.145 6.130 2.681 1.00 54.42 C ATOM 0 H VAL A 33 8.453 6.673 5.045 1.00 14.34 H new ATOM 0 HA VAL A 33 5.649 5.786 5.357 1.00 70.34 H new ATOM 0 HB VAL A 33 7.732 4.851 3.328 1.00 60.33 H new ATOM 0 HG11 VAL A 33 5.951 3.425 2.408 1.00 23.30 H new ATOM 0 HG12 VAL A 33 6.363 2.978 4.081 1.00 23.30 H new ATOM 0 HG13 VAL A 33 4.880 3.903 3.746 1.00 23.30 H new ATOM 0 HG21 VAL A 33 6.166 5.772 1.652 1.00 54.42 H new ATOM 0 HG22 VAL A 33 5.118 6.361 2.964 1.00 54.42 H new ATOM 0 HG23 VAL A 33 6.756 7.029 2.765 1.00 54.42 H new ATOM 549 N THR A 34 6.261 3.707 6.621 1.00 51.51 N ATOM 550 CA THR A 34 6.590 2.609 7.540 1.00 32.21 C ATOM 551 C THR A 34 6.046 1.272 7.017 1.00 42.53 C ATOM 552 O THR A 34 5.028 1.242 6.321 1.00 53.35 O ATOM 553 CB THR A 34 5.987 2.861 8.944 1.00 0.50 C ATOM 554 OG1 THR A 34 4.553 2.820 8.877 1.00 63.10 O ATOM 555 CG2 THR A 34 6.423 4.216 9.495 1.00 32.23 C ATOM 0 H THR A 34 5.260 3.865 6.509 1.00 51.51 H new ATOM 0 HA THR A 34 7.677 2.565 7.607 1.00 32.21 H new ATOM 0 HB THR A 34 6.351 2.078 9.610 1.00 0.50 H new ATOM 0 HG1 THR A 34 4.179 2.978 9.769 1.00 63.10 H new ATOM 0 HG21 THR A 34 5.985 4.366 10.482 1.00 32.23 H new ATOM 0 HG22 THR A 34 7.510 4.245 9.573 1.00 32.23 H new ATOM 0 HG23 THR A 34 6.086 5.007 8.825 1.00 32.23 H new ATOM 563 N TYR A 35 6.713 0.165 7.353 1.00 53.41 N ATOM 564 CA TYR A 35 6.236 -1.164 6.943 1.00 34.12 C ATOM 565 C TYR A 35 6.747 -2.282 7.870 1.00 43.15 C ATOM 566 O TYR A 35 7.934 -2.352 8.191 1.00 62.14 O ATOM 567 CB TYR A 35 6.620 -1.462 5.481 1.00 51.23 C ATOM 568 CG TYR A 35 8.111 -1.620 5.234 1.00 31.03 C ATOM 569 CD1 TYR A 35 8.934 -0.510 5.074 1.00 11.32 C ATOM 570 CD2 TYR A 35 8.690 -2.884 5.158 1.00 43.31 C ATOM 571 CE1 TYR A 35 10.289 -0.656 4.845 1.00 31.31 C ATOM 572 CE2 TYR A 35 10.041 -3.036 4.928 1.00 14.23 C ATOM 573 CZ TYR A 35 10.837 -1.921 4.773 1.00 12.11 C ATOM 574 OH TYR A 35 12.187 -2.072 4.540 1.00 64.13 O ATOM 0 H TYR A 35 7.574 0.158 7.900 1.00 53.41 H new ATOM 0 HA TYR A 35 5.149 -1.145 7.025 1.00 34.12 H new ATOM 0 HB2 TYR A 35 6.115 -2.375 5.166 1.00 51.23 H new ATOM 0 HB3 TYR A 35 6.245 -0.656 4.850 1.00 51.23 H new ATOM 0 HD1 TYR A 35 8.508 0.481 5.130 1.00 11.32 H new ATOM 0 HD2 TYR A 35 8.071 -3.760 5.281 1.00 43.31 H new ATOM 0 HE1 TYR A 35 10.916 0.215 4.723 1.00 31.31 H new ATOM 0 HE2 TYR A 35 10.474 -4.024 4.870 1.00 14.23 H new ATOM 0 HH TYR A 35 12.411 -3.026 4.520 1.00 64.13 H new ATOM 584 N THR A 36 5.833 -3.153 8.300 1.00 70.15 N ATOM 585 CA THR A 36 6.188 -4.317 9.130 1.00 2.42 C ATOM 586 C THR A 36 5.442 -5.583 8.673 1.00 72.12 C ATOM 587 O THR A 36 4.261 -5.530 8.318 1.00 10.41 O ATOM 588 CB THR A 36 5.908 -4.071 10.638 1.00 72.23 C ATOM 589 OG1 THR A 36 6.201 -5.254 11.399 1.00 0.42 O ATOM 590 CG2 THR A 36 4.461 -3.656 10.881 1.00 11.13 C ATOM 0 H THR A 36 4.838 -3.079 8.089 1.00 70.15 H new ATOM 0 HA THR A 36 7.260 -4.466 8.999 1.00 2.42 H new ATOM 0 HB THR A 36 6.556 -3.257 10.961 1.00 72.23 H new ATOM 0 HG1 THR A 36 6.022 -5.085 12.348 1.00 0.42 H new ATOM 0 HG21 THR A 36 4.303 -3.493 11.947 1.00 11.13 H new ATOM 0 HG22 THR A 36 4.251 -2.735 10.338 1.00 11.13 H new ATOM 0 HG23 THR A 36 3.793 -4.443 10.532 1.00 11.13 H new ATOM 598 N LEU A 37 6.144 -6.715 8.671 1.00 22.25 N ATOM 599 CA LEU A 37 5.574 -7.994 8.222 1.00 64.23 C ATOM 600 C LEU A 37 5.007 -8.808 9.394 1.00 52.01 C ATOM 601 O LEU A 37 5.597 -8.856 10.476 1.00 52.35 O ATOM 602 CB LEU A 37 6.641 -8.832 7.490 1.00 63.45 C ATOM 603 CG LEU A 37 6.949 -8.423 6.039 1.00 13.10 C ATOM 604 CD1 LEU A 37 5.708 -8.582 5.163 1.00 11.11 C ATOM 605 CD2 LEU A 37 7.492 -6.993 5.970 1.00 43.12 C ATOM 0 H LEU A 37 7.115 -6.777 8.977 1.00 22.25 H new ATOM 0 HA LEU A 37 4.757 -7.760 7.539 1.00 64.23 H new ATOM 0 HB2 LEU A 37 7.567 -8.784 8.063 1.00 63.45 H new ATOM 0 HB3 LEU A 37 6.319 -9.873 7.491 1.00 63.45 H new ATOM 0 HG LEU A 37 7.724 -9.087 5.657 1.00 13.10 H new ATOM 0 HD11 LEU A 37 5.944 -8.288 4.140 1.00 11.11 H new ATOM 0 HD12 LEU A 37 5.384 -9.623 5.176 1.00 11.11 H new ATOM 0 HD13 LEU A 37 4.908 -7.949 5.547 1.00 11.11 H new ATOM 0 HD21 LEU A 37 7.700 -6.733 4.932 1.00 43.12 H new ATOM 0 HD22 LEU A 37 6.752 -6.303 6.376 1.00 43.12 H new ATOM 0 HD23 LEU A 37 8.411 -6.924 6.553 1.00 43.12 H new ATOM 617 N ASP A 38 3.869 -9.458 9.170 1.00 1.22 N ATOM 618 CA ASP A 38 3.271 -10.341 10.176 1.00 73.24 C ATOM 619 C ASP A 38 2.655 -11.582 9.509 1.00 14.32 C ATOM 620 O ASP A 38 1.476 -11.595 9.153 1.00 71.12 O ATOM 621 CB ASP A 38 2.217 -9.582 10.994 1.00 12.34 C ATOM 622 CG ASP A 38 1.797 -10.346 12.238 1.00 41.45 C ATOM 623 OD1 ASP A 38 2.581 -10.369 13.210 1.00 5.24 O ATOM 624 OD2 ASP A 38 0.692 -10.925 12.255 1.00 11.55 O ATOM 0 H ASP A 38 3.339 -9.392 8.301 1.00 1.22 H new ATOM 0 HA ASP A 38 4.056 -10.676 10.854 1.00 73.24 H new ATOM 0 HB2 ASP A 38 2.615 -8.610 11.284 1.00 12.34 H new ATOM 0 HB3 ASP A 38 1.342 -9.395 10.372 1.00 12.34 H new ATOM 629 N GLY A 39 3.477 -12.611 9.309 1.00 0.21 N ATOM 630 CA GLY A 39 3.025 -13.832 8.649 1.00 3.10 C ATOM 631 C GLY A 39 2.609 -13.606 7.200 1.00 65.54 C ATOM 632 O GLY A 39 3.445 -13.614 6.292 1.00 43.43 O ATOM 0 H GLY A 39 4.456 -12.623 9.594 1.00 0.21 H new ATOM 0 HA2 GLY A 39 3.824 -14.573 8.681 1.00 3.10 H new ATOM 0 HA3 GLY A 39 2.183 -14.247 9.203 1.00 3.10 H new ATOM 636 N ASN A 40 1.315 -13.398 6.985 1.00 54.10 N ATOM 637 CA ASN A 40 0.775 -13.146 5.645 1.00 53.31 C ATOM 638 C ASN A 40 0.357 -11.676 5.484 1.00 24.31 C ATOM 639 O ASN A 40 -0.004 -11.240 4.390 1.00 3.14 O ATOM 640 CB ASN A 40 -0.432 -14.057 5.387 1.00 12.24 C ATOM 641 CG ASN A 40 -0.145 -15.506 5.734 1.00 14.31 C ATOM 642 OD1 ASN A 40 -0.416 -15.954 6.845 1.00 54.04 O ATOM 643 ND2 ASN A 40 0.418 -16.244 4.800 1.00 74.11 N ATOM 0 H ASN A 40 0.612 -13.398 7.724 1.00 54.10 H new ATOM 0 HA ASN A 40 1.558 -13.362 4.918 1.00 53.31 H new ATOM 0 HB2 ASN A 40 -1.281 -13.706 5.974 1.00 12.24 H new ATOM 0 HB3 ASN A 40 -0.719 -13.987 4.338 1.00 12.24 H new ATOM 0 HD21 ASN A 40 0.643 -17.221 4.988 1.00 74.11 H new ATOM 0 HD22 ASN A 40 0.629 -15.839 3.888 1.00 74.11 H new ATOM 650 N ASP A 41 0.400 -10.927 6.586 1.00 34.43 N ATOM 651 CA ASP A 41 0.002 -9.517 6.594 1.00 2.20 C ATOM 652 C ASP A 41 1.205 -8.582 6.377 1.00 71.41 C ATOM 653 O ASP A 41 2.339 -8.901 6.747 1.00 23.41 O ATOM 654 CB ASP A 41 -0.675 -9.175 7.926 1.00 33.33 C ATOM 655 CG ASP A 41 -1.923 -10.003 8.182 1.00 53.02 C ATOM 656 OD1 ASP A 41 -1.794 -11.175 8.593 1.00 63.14 O ATOM 657 OD2 ASP A 41 -3.040 -9.479 7.987 1.00 50.54 O ATOM 0 H ASP A 41 0.709 -11.276 7.493 1.00 34.43 H new ATOM 0 HA ASP A 41 -0.696 -9.367 5.770 1.00 2.20 H new ATOM 0 HB2 ASP A 41 0.033 -9.333 8.739 1.00 33.33 H new ATOM 0 HB3 ASP A 41 -0.938 -8.117 7.933 1.00 33.33 H new ATOM 662 N LEU A 42 0.938 -7.422 5.786 1.00 13.54 N ATOM 663 CA LEU A 42 1.965 -6.402 5.553 1.00 54.44 C ATOM 664 C LEU A 42 1.421 -4.996 5.858 1.00 42.45 C ATOM 665 O LEU A 42 0.672 -4.419 5.066 1.00 71.03 O ATOM 666 CB LEU A 42 2.471 -6.489 4.101 1.00 71.25 C ATOM 667 CG LEU A 42 3.419 -5.362 3.644 1.00 61.12 C ATOM 668 CD1 LEU A 42 4.618 -5.231 4.581 1.00 4.34 C ATOM 669 CD2 LEU A 42 3.885 -5.608 2.210 1.00 32.23 C ATOM 0 H LEU A 42 0.010 -7.159 5.455 1.00 13.54 H new ATOM 0 HA LEU A 42 2.801 -6.588 6.227 1.00 54.44 H new ATOM 0 HB2 LEU A 42 2.984 -7.442 3.973 1.00 71.25 H new ATOM 0 HB3 LEU A 42 1.607 -6.501 3.437 1.00 71.25 H new ATOM 0 HG LEU A 42 2.866 -4.423 3.677 1.00 61.12 H new ATOM 0 HD11 LEU A 42 5.267 -4.428 4.231 1.00 4.34 H new ATOM 0 HD12 LEU A 42 4.269 -5.003 5.588 1.00 4.34 H new ATOM 0 HD13 LEU A 42 5.175 -6.168 4.593 1.00 4.34 H new ATOM 0 HD21 LEU A 42 4.553 -4.804 1.902 1.00 32.23 H new ATOM 0 HD22 LEU A 42 4.414 -6.560 2.157 1.00 32.23 H new ATOM 0 HD23 LEU A 42 3.021 -5.636 1.546 1.00 32.23 H new ATOM 681 N GLU A 43 1.793 -4.465 7.022 1.00 11.04 N ATOM 682 CA GLU A 43 1.377 -3.119 7.441 1.00 42.40 C ATOM 683 C GLU A 43 2.212 -2.039 6.735 1.00 63.51 C ATOM 684 O GLU A 43 3.404 -1.914 7.002 1.00 61.22 O ATOM 685 CB GLU A 43 1.551 -2.968 8.963 1.00 51.45 C ATOM 686 CG GLU A 43 0.735 -3.942 9.812 1.00 34.43 C ATOM 687 CD GLU A 43 -0.742 -3.582 9.878 1.00 60.41 C ATOM 688 OE1 GLU A 43 -1.067 -2.502 10.420 1.00 54.35 O ATOM 689 OE2 GLU A 43 -1.580 -4.381 9.413 1.00 44.45 O ATOM 0 H GLU A 43 2.385 -4.947 7.698 1.00 11.04 H new ATOM 0 HA GLU A 43 0.329 -2.991 7.169 1.00 42.40 H new ATOM 0 HB2 GLU A 43 2.606 -3.095 9.206 1.00 51.45 H new ATOM 0 HB3 GLU A 43 1.279 -1.951 9.244 1.00 51.45 H new ATOM 0 HG2 GLU A 43 0.840 -4.947 9.404 1.00 34.43 H new ATOM 0 HG3 GLU A 43 1.143 -3.964 10.822 1.00 34.43 H new ATOM 696 N ILE A 44 1.595 -1.271 5.835 1.00 2.03 N ATOM 697 CA ILE A 44 2.284 -0.166 5.142 1.00 51.53 C ATOM 698 C ILE A 44 1.569 1.174 5.382 1.00 54.23 C ATOM 699 O ILE A 44 0.475 1.411 4.869 1.00 41.51 O ATOM 700 CB ILE A 44 2.378 -0.410 3.610 1.00 5.22 C ATOM 701 CG1 ILE A 44 3.162 -1.699 3.311 1.00 34.12 C ATOM 702 CG2 ILE A 44 3.020 0.791 2.906 1.00 74.42 C ATOM 703 CD1 ILE A 44 3.295 -2.004 1.831 1.00 41.41 C ATOM 0 H ILE A 44 0.619 -1.389 5.565 1.00 2.03 H new ATOM 0 HA ILE A 44 3.291 -0.126 5.558 1.00 51.53 H new ATOM 0 HB ILE A 44 1.366 -0.529 3.223 1.00 5.22 H new ATOM 0 HG12 ILE A 44 4.158 -1.617 3.747 1.00 34.12 H new ATOM 0 HG13 ILE A 44 2.667 -2.537 3.802 1.00 34.12 H new ATOM 0 HG21 ILE A 44 3.075 0.598 1.835 1.00 74.42 H new ATOM 0 HG22 ILE A 44 2.417 1.682 3.083 1.00 74.42 H new ATOM 0 HG23 ILE A 44 4.025 0.949 3.299 1.00 74.42 H new ATOM 0 HD11 ILE A 44 3.860 -2.927 1.699 1.00 41.41 H new ATOM 0 HD12 ILE A 44 2.304 -2.119 1.393 1.00 41.41 H new ATOM 0 HD13 ILE A 44 3.818 -1.185 1.336 1.00 41.41 H new ATOM 715 N ARG A 45 2.194 2.057 6.153 1.00 3.41 N ATOM 716 CA ARG A 45 1.604 3.368 6.456 1.00 11.31 C ATOM 717 C ARG A 45 2.417 4.500 5.810 1.00 2.40 C ATOM 718 O ARG A 45 3.632 4.590 5.989 1.00 51.43 O ATOM 719 CB ARG A 45 1.516 3.571 7.975 1.00 43.02 C ATOM 720 CG ARG A 45 0.732 4.815 8.388 1.00 2.50 C ATOM 721 CD ARG A 45 0.635 4.942 9.904 1.00 41.13 C ATOM 722 NE ARG A 45 -0.201 6.070 10.316 1.00 65.03 N ATOM 723 CZ ARG A 45 -0.640 6.250 11.533 1.00 61.34 C ATOM 724 NH1 ARG A 45 -0.331 5.424 12.475 1.00 63.44 N ATOM 725 NH2 ARG A 45 -1.396 7.259 11.808 1.00 24.50 N ATOM 0 H ARG A 45 3.106 1.896 6.581 1.00 3.41 H new ATOM 0 HA ARG A 45 0.598 3.395 6.038 1.00 11.31 H new ATOM 0 HB2 ARG A 45 1.049 2.694 8.423 1.00 43.02 H new ATOM 0 HB3 ARG A 45 2.525 3.637 8.382 1.00 43.02 H new ATOM 0 HG2 ARG A 45 1.215 5.702 7.979 1.00 2.50 H new ATOM 0 HG3 ARG A 45 -0.270 4.772 7.961 1.00 2.50 H new ATOM 0 HD2 ARG A 45 0.227 4.020 10.318 1.00 41.13 H new ATOM 0 HD3 ARG A 45 1.635 5.063 10.321 1.00 41.13 H new ATOM 0 HE ARG A 45 -0.457 6.759 9.609 1.00 65.03 H new ATOM 0 HH11 ARG A 45 0.263 4.619 12.273 1.00 63.44 H new ATOM 0 HH12 ARG A 45 -0.680 5.576 13.421 1.00 63.44 H new ATOM 0 HH21 ARG A 45 -1.653 7.919 11.074 1.00 24.50 H new ATOM 0 HH22 ARG A 45 -1.737 7.396 12.759 1.00 24.50 H new ATOM 739 N ILE A 46 1.742 5.362 5.054 1.00 41.12 N ATOM 740 CA ILE A 46 2.409 6.475 4.374 1.00 53.41 C ATOM 741 C ILE A 46 1.997 7.823 4.987 1.00 14.22 C ATOM 742 O ILE A 46 0.862 8.279 4.820 1.00 74.53 O ATOM 743 CB ILE A 46 2.091 6.481 2.855 1.00 52.23 C ATOM 744 CG1 ILE A 46 2.457 5.124 2.225 1.00 55.23 C ATOM 745 CG2 ILE A 46 2.837 7.617 2.151 1.00 22.51 C ATOM 746 CD1 ILE A 46 2.154 5.029 0.742 1.00 63.55 C ATOM 0 H ILE A 46 0.736 5.314 4.895 1.00 41.12 H new ATOM 0 HA ILE A 46 3.482 6.335 4.508 1.00 53.41 H new ATOM 0 HB ILE A 46 1.021 6.645 2.729 1.00 52.23 H new ATOM 0 HG12 ILE A 46 3.520 4.938 2.381 1.00 55.23 H new ATOM 0 HG13 ILE A 46 1.915 4.335 2.747 1.00 55.23 H new ATOM 0 HG21 ILE A 46 2.600 7.603 1.087 1.00 22.51 H new ATOM 0 HG22 ILE A 46 2.532 8.572 2.578 1.00 22.51 H new ATOM 0 HG23 ILE A 46 3.911 7.485 2.285 1.00 22.51 H new ATOM 0 HD11 ILE A 46 2.440 4.044 0.375 1.00 63.55 H new ATOM 0 HD12 ILE A 46 1.087 5.182 0.578 1.00 63.55 H new ATOM 0 HD13 ILE A 46 2.716 5.794 0.206 1.00 63.55 H new ATOM 758 N THR A 47 2.935 8.460 5.684 1.00 63.45 N ATOM 759 CA THR A 47 2.674 9.732 6.366 1.00 62.32 C ATOM 760 C THR A 47 3.164 10.928 5.536 1.00 72.55 C ATOM 761 O THR A 47 4.371 11.143 5.387 1.00 23.22 O ATOM 762 CB THR A 47 3.345 9.770 7.763 1.00 44.12 C ATOM 763 OG1 THR A 47 2.872 8.676 8.568 1.00 65.32 O ATOM 764 CG2 THR A 47 3.058 11.086 8.482 1.00 53.02 C ATOM 0 H THR A 47 3.889 8.116 5.794 1.00 63.45 H new ATOM 0 HA THR A 47 1.593 9.807 6.487 1.00 62.32 H new ATOM 0 HB THR A 47 4.422 9.683 7.616 1.00 44.12 H new ATOM 0 HG1 THR A 47 1.933 8.495 8.354 1.00 65.32 H new ATOM 0 HG21 THR A 47 3.543 11.080 9.458 1.00 53.02 H new ATOM 0 HG22 THR A 47 3.444 11.916 7.890 1.00 53.02 H new ATOM 0 HG23 THR A 47 1.982 11.203 8.612 1.00 53.02 H new ATOM 772 N GLY A 48 2.219 11.698 4.994 1.00 51.01 N ATOM 773 CA GLY A 48 2.560 12.874 4.195 1.00 54.23 C ATOM 774 C GLY A 48 2.259 12.702 2.707 1.00 23.13 C ATOM 775 O GLY A 48 3.172 12.663 1.881 1.00 71.12 O ATOM 0 H GLY A 48 1.218 11.529 5.093 1.00 51.01 H new ATOM 0 HA2 GLY A 48 2.008 13.734 4.573 1.00 54.23 H new ATOM 0 HA3 GLY A 48 3.620 13.095 4.321 1.00 54.23 H new ATOM 779 N VAL A 49 0.973 12.609 2.364 1.00 11.51 N ATOM 780 CA VAL A 49 0.552 12.453 0.963 1.00 13.33 C ATOM 781 C VAL A 49 -0.395 13.580 0.515 1.00 21.44 C ATOM 782 O VAL A 49 -1.224 14.055 1.293 1.00 72.31 O ATOM 783 CB VAL A 49 -0.146 11.086 0.724 1.00 23.01 C ATOM 784 CG1 VAL A 49 0.861 9.948 0.797 1.00 14.01 C ATOM 785 CG2 VAL A 49 -1.277 10.863 1.730 1.00 30.25 C ATOM 0 H VAL A 49 0.203 12.638 3.033 1.00 11.51 H new ATOM 0 HA VAL A 49 1.464 12.502 0.369 1.00 13.33 H new ATOM 0 HB VAL A 49 -0.579 11.102 -0.276 1.00 23.01 H new ATOM 0 HG11 VAL A 49 0.351 9.000 0.627 1.00 14.01 H new ATOM 0 HG12 VAL A 49 1.627 10.090 0.034 1.00 14.01 H new ATOM 0 HG13 VAL A 49 1.327 9.938 1.782 1.00 14.01 H new ATOM 0 HG21 VAL A 49 -1.748 9.899 1.540 1.00 30.25 H new ATOM 0 HG22 VAL A 49 -0.872 10.875 2.742 1.00 30.25 H new ATOM 0 HG23 VAL A 49 -2.018 11.656 1.626 1.00 30.25 H new ATOM 795 N PRO A 50 -0.275 14.033 -0.748 1.00 42.43 N ATOM 796 CA PRO A 50 -1.168 15.054 -1.315 1.00 74.14 C ATOM 797 C PRO A 50 -2.580 14.513 -1.598 1.00 51.11 C ATOM 798 O PRO A 50 -2.748 13.349 -1.974 1.00 55.44 O ATOM 799 CB PRO A 50 -0.473 15.463 -2.632 1.00 64.33 C ATOM 800 CG PRO A 50 0.876 14.815 -2.600 1.00 54.23 C ATOM 801 CD PRO A 50 0.741 13.606 -1.718 1.00 73.31 C ATOM 0 HA PRO A 50 -1.316 15.884 -0.624 1.00 74.14 H new ATOM 0 HB2 PRO A 50 -1.047 15.129 -3.497 1.00 64.33 H new ATOM 0 HB3 PRO A 50 -0.384 16.547 -2.707 1.00 64.33 H new ATOM 0 HG2 PRO A 50 1.195 14.531 -3.603 1.00 54.23 H new ATOM 0 HG3 PRO A 50 1.628 15.500 -2.208 1.00 54.23 H new ATOM 0 HD2 PRO A 50 0.422 12.728 -2.279 1.00 73.31 H new ATOM 0 HD3 PRO A 50 1.683 13.350 -1.233 1.00 73.31 H new ATOM 809 N GLU A 51 -3.590 15.369 -1.435 1.00 43.22 N ATOM 810 CA GLU A 51 -4.993 14.980 -1.650 1.00 24.32 C ATOM 811 C GLU A 51 -5.216 14.382 -3.048 1.00 61.13 C ATOM 812 O GLU A 51 -5.849 13.338 -3.195 1.00 11.54 O ATOM 813 CB GLU A 51 -5.915 16.193 -1.464 1.00 60.21 C ATOM 814 CG GLU A 51 -7.399 15.870 -1.636 1.00 43.44 C ATOM 815 CD GLU A 51 -8.274 17.112 -1.624 1.00 51.54 C ATOM 816 OE1 GLU A 51 -8.472 17.696 -0.538 1.00 32.52 O ATOM 817 OE2 GLU A 51 -8.751 17.524 -2.704 1.00 15.33 O ATOM 0 H GLU A 51 -3.466 16.342 -1.154 1.00 43.22 H new ATOM 0 HA GLU A 51 -5.232 14.215 -0.911 1.00 24.32 H new ATOM 0 HB2 GLU A 51 -5.756 16.610 -0.469 1.00 60.21 H new ATOM 0 HB3 GLU A 51 -5.635 16.964 -2.181 1.00 60.21 H new ATOM 0 HG2 GLU A 51 -7.544 15.337 -2.576 1.00 43.44 H new ATOM 0 HG3 GLU A 51 -7.716 15.199 -0.837 1.00 43.44 H new ATOM 824 N GLN A 52 -4.685 15.050 -4.070 1.00 41.24 N ATOM 825 CA GLN A 52 -4.860 14.616 -5.463 1.00 11.44 C ATOM 826 C GLN A 52 -4.316 13.194 -5.710 1.00 62.55 C ATOM 827 O GLN A 52 -4.723 12.517 -6.658 1.00 74.51 O ATOM 828 CB GLN A 52 -4.176 15.611 -6.412 1.00 20.31 C ATOM 829 CG GLN A 52 -2.664 15.730 -6.218 1.00 24.32 C ATOM 830 CD GLN A 52 -2.030 16.744 -7.158 1.00 72.33 C ATOM 831 OE1 GLN A 52 -2.515 16.978 -8.261 1.00 24.54 O ATOM 832 NE2 GLN A 52 -0.936 17.349 -6.737 1.00 64.44 N ATOM 0 H GLN A 52 -4.127 15.897 -3.963 1.00 41.24 H new ATOM 0 HA GLN A 52 -5.931 14.591 -5.661 1.00 11.44 H new ATOM 0 HB2 GLN A 52 -4.376 15.310 -7.440 1.00 20.31 H new ATOM 0 HB3 GLN A 52 -4.626 16.594 -6.275 1.00 20.31 H new ATOM 0 HG2 GLN A 52 -2.455 16.016 -5.187 1.00 24.32 H new ATOM 0 HG3 GLN A 52 -2.203 14.755 -6.378 1.00 24.32 H new ATOM 0 HE21 GLN A 52 -0.557 17.133 -5.815 1.00 64.44 H new ATOM 0 HE22 GLN A 52 -0.469 18.032 -7.333 1.00 64.44 H new ATOM 841 N VAL A 53 -3.401 12.743 -4.851 1.00 22.23 N ATOM 842 CA VAL A 53 -2.790 11.417 -4.994 1.00 45.21 C ATOM 843 C VAL A 53 -3.650 10.322 -4.323 1.00 53.31 C ATOM 844 O VAL A 53 -3.380 9.129 -4.460 1.00 50.34 O ATOM 845 CB VAL A 53 -1.351 11.415 -4.411 1.00 51.35 C ATOM 846 CG1 VAL A 53 -0.670 10.061 -4.608 1.00 60.21 C ATOM 847 CG2 VAL A 53 -0.521 12.531 -5.049 1.00 44.55 C ATOM 0 H VAL A 53 -3.065 13.275 -4.048 1.00 22.23 H new ATOM 0 HA VAL A 53 -2.736 11.189 -6.059 1.00 45.21 H new ATOM 0 HB VAL A 53 -1.422 11.596 -3.338 1.00 51.35 H new ATOM 0 HG11 VAL A 53 0.335 10.095 -4.188 1.00 60.21 H new ATOM 0 HG12 VAL A 53 -1.248 9.286 -4.104 1.00 60.21 H new ATOM 0 HG13 VAL A 53 -0.611 9.835 -5.673 1.00 60.21 H new ATOM 0 HG21 VAL A 53 0.486 12.519 -4.632 1.00 44.55 H new ATOM 0 HG22 VAL A 53 -0.469 12.375 -6.127 1.00 44.55 H new ATOM 0 HG23 VAL A 53 -0.988 13.494 -4.843 1.00 44.55 H new ATOM 857 N ARG A 54 -4.706 10.738 -3.622 1.00 64.44 N ATOM 858 CA ARG A 54 -5.653 9.802 -2.989 1.00 33.13 C ATOM 859 C ARG A 54 -6.149 8.726 -3.977 1.00 52.20 C ATOM 860 O ARG A 54 -6.225 7.537 -3.636 1.00 53.20 O ATOM 861 CB ARG A 54 -6.843 10.587 -2.409 1.00 30.53 C ATOM 862 CG ARG A 54 -8.012 9.723 -1.942 1.00 20.31 C ATOM 863 CD ARG A 54 -7.594 8.691 -0.898 1.00 10.11 C ATOM 864 NE ARG A 54 -8.737 7.920 -0.419 1.00 51.04 N ATOM 865 CZ ARG A 54 -9.264 6.910 -1.055 1.00 2.21 C ATOM 866 NH1 ARG A 54 -8.769 6.503 -2.180 1.00 43.21 N ATOM 867 NH2 ARG A 54 -10.293 6.307 -0.564 1.00 45.51 N ATOM 0 H ARG A 54 -4.933 11.721 -3.475 1.00 64.44 H new ATOM 0 HA ARG A 54 -5.129 9.284 -2.186 1.00 33.13 H new ATOM 0 HB2 ARG A 54 -6.491 11.184 -1.567 1.00 30.53 H new ATOM 0 HB3 ARG A 54 -7.204 11.284 -3.165 1.00 30.53 H new ATOM 0 HG2 ARG A 54 -8.789 10.363 -1.525 1.00 20.31 H new ATOM 0 HG3 ARG A 54 -8.447 9.211 -2.800 1.00 20.31 H new ATOM 0 HD2 ARG A 54 -6.854 8.017 -1.328 1.00 10.11 H new ATOM 0 HD3 ARG A 54 -7.116 9.195 -0.058 1.00 10.11 H new ATOM 0 HE ARG A 54 -9.152 8.189 0.473 1.00 51.04 H new ATOM 0 HH11 ARG A 54 -7.957 6.973 -2.580 1.00 43.21 H new ATOM 0 HH12 ARG A 54 -9.191 5.712 -2.666 1.00 43.21 H new ATOM 0 HH21 ARG A 54 -10.694 6.620 0.320 1.00 45.51 H new ATOM 0 HH22 ARG A 54 -10.706 5.517 -1.060 1.00 45.51 H new ATOM 881 N LYS A 55 -6.496 9.149 -5.191 1.00 72.43 N ATOM 882 CA LYS A 55 -6.916 8.218 -6.244 1.00 62.43 C ATOM 883 C LYS A 55 -5.777 7.261 -6.631 1.00 72.31 C ATOM 884 O LYS A 55 -5.999 6.068 -6.829 1.00 3.40 O ATOM 885 CB LYS A 55 -7.398 8.991 -7.482 1.00 64.33 C ATOM 886 CG LYS A 55 -6.330 9.866 -8.132 1.00 40.42 C ATOM 887 CD LYS A 55 -6.858 10.578 -9.374 1.00 51.40 C ATOM 888 CE LYS A 55 -5.762 11.356 -10.092 1.00 72.25 C ATOM 889 NZ LYS A 55 -5.177 12.424 -9.239 1.00 10.45 N ATOM 0 H LYS A 55 -6.496 10.129 -5.473 1.00 72.43 H new ATOM 0 HA LYS A 55 -7.741 7.623 -5.852 1.00 62.43 H new ATOM 0 HB2 LYS A 55 -7.766 8.278 -8.220 1.00 64.33 H new ATOM 0 HB3 LYS A 55 -8.242 9.619 -7.198 1.00 64.33 H new ATOM 0 HG2 LYS A 55 -5.978 10.605 -7.412 1.00 40.42 H new ATOM 0 HG3 LYS A 55 -5.472 9.251 -8.403 1.00 40.42 H new ATOM 0 HD2 LYS A 55 -7.290 9.846 -10.056 1.00 51.40 H new ATOM 0 HD3 LYS A 55 -7.660 11.259 -9.089 1.00 51.40 H new ATOM 0 HE2 LYS A 55 -4.974 10.669 -10.401 1.00 72.25 H new ATOM 0 HE3 LYS A 55 -6.170 11.801 -10.999 1.00 72.25 H new ATOM 0 HZ1 LYS A 55 -4.370 12.858 -9.731 1.00 10.45 H new ATOM 0 HZ2 LYS A 55 -5.897 13.150 -9.049 1.00 10.45 H new ATOM 0 HZ3 LYS A 55 -4.854 12.012 -8.340 1.00 10.45 H new ATOM 903 N GLU A 56 -4.557 7.795 -6.714 1.00 4.53 N ATOM 904 CA GLU A 56 -3.378 7.009 -7.101 1.00 53.42 C ATOM 905 C GLU A 56 -3.078 5.915 -6.068 1.00 73.13 C ATOM 906 O GLU A 56 -2.949 4.746 -6.413 1.00 72.22 O ATOM 907 CB GLU A 56 -2.151 7.925 -7.262 1.00 44.04 C ATOM 908 CG GLU A 56 -2.335 9.048 -8.283 1.00 33.31 C ATOM 909 CD GLU A 56 -2.518 8.538 -9.706 1.00 44.51 C ATOM 910 OE1 GLU A 56 -1.510 8.373 -10.422 1.00 0.11 O ATOM 911 OE2 GLU A 56 -3.672 8.300 -10.116 1.00 52.12 O ATOM 0 H GLU A 56 -4.356 8.776 -6.517 1.00 4.53 H new ATOM 0 HA GLU A 56 -3.596 6.531 -8.056 1.00 53.42 H new ATOM 0 HB2 GLU A 56 -1.911 8.365 -6.294 1.00 44.04 H new ATOM 0 HB3 GLU A 56 -1.295 7.318 -7.557 1.00 44.04 H new ATOM 0 HG2 GLU A 56 -3.202 9.646 -8.004 1.00 33.31 H new ATOM 0 HG3 GLU A 56 -1.468 9.708 -8.249 1.00 33.31 H new ATOM 918 N LEU A 57 -2.988 6.306 -4.798 1.00 10.32 N ATOM 919 CA LEU A 57 -2.701 5.367 -3.703 1.00 40.25 C ATOM 920 C LEU A 57 -3.671 4.175 -3.704 1.00 74.30 C ATOM 921 O LEU A 57 -3.252 3.019 -3.631 1.00 44.40 O ATOM 922 CB LEU A 57 -2.782 6.095 -2.351 1.00 13.12 C ATOM 923 CG LEU A 57 -1.772 7.239 -2.156 1.00 25.34 C ATOM 924 CD1 LEU A 57 -2.035 7.979 -0.849 1.00 44.03 C ATOM 925 CD2 LEU A 57 -0.342 6.704 -2.196 1.00 35.34 C ATOM 0 H LEU A 57 -3.110 7.272 -4.496 1.00 10.32 H new ATOM 0 HA LEU A 57 -1.693 4.981 -3.857 1.00 40.25 H new ATOM 0 HB2 LEU A 57 -3.788 6.498 -2.234 1.00 13.12 H new ATOM 0 HB3 LEU A 57 -2.636 5.365 -1.555 1.00 13.12 H new ATOM 0 HG LEU A 57 -1.897 7.947 -2.975 1.00 25.34 H new ATOM 0 HD11 LEU A 57 -1.308 8.783 -0.734 1.00 44.03 H new ATOM 0 HD12 LEU A 57 -3.041 8.398 -0.864 1.00 44.03 H new ATOM 0 HD13 LEU A 57 -1.944 7.285 -0.013 1.00 44.03 H new ATOM 0 HD21 LEU A 57 0.359 7.527 -2.056 1.00 35.34 H new ATOM 0 HD22 LEU A 57 -0.205 5.972 -1.400 1.00 35.34 H new ATOM 0 HD23 LEU A 57 -0.158 6.230 -3.160 1.00 35.34 H new ATOM 937 N ALA A 58 -4.969 4.465 -3.787 1.00 44.04 N ATOM 938 CA ALA A 58 -5.993 3.414 -3.794 1.00 22.31 C ATOM 939 C ALA A 58 -5.935 2.569 -5.075 1.00 2.15 C ATOM 940 O ALA A 58 -5.871 1.341 -5.022 1.00 34.13 O ATOM 941 CB ALA A 58 -7.376 4.031 -3.639 1.00 43.35 C ATOM 0 H ALA A 58 -5.338 5.414 -3.850 1.00 44.04 H new ATOM 0 HA ALA A 58 -5.793 2.752 -2.951 1.00 22.31 H new ATOM 0 HB1 ALA A 58 -8.129 3.243 -3.645 1.00 43.35 H new ATOM 0 HB2 ALA A 58 -7.428 4.575 -2.696 1.00 43.35 H new ATOM 0 HB3 ALA A 58 -7.563 4.718 -4.465 1.00 43.35 H new ATOM 947 N LYS A 59 -5.934 3.246 -6.219 1.00 43.33 N ATOM 948 CA LYS A 59 -5.894 2.590 -7.531 1.00 13.20 C ATOM 949 C LYS A 59 -4.652 1.695 -7.698 1.00 32.11 C ATOM 950 O LYS A 59 -4.740 0.575 -8.210 1.00 14.20 O ATOM 951 CB LYS A 59 -5.937 3.671 -8.620 1.00 54.11 C ATOM 952 CG LYS A 59 -5.595 3.187 -10.023 1.00 24.14 C ATOM 953 CD LYS A 59 -5.868 4.265 -11.070 1.00 72.42 C ATOM 954 CE LYS A 59 -5.208 5.598 -10.726 1.00 23.14 C ATOM 955 NZ LYS A 59 -3.723 5.522 -10.729 1.00 61.11 N ATOM 0 H LYS A 59 -5.961 4.264 -6.268 1.00 43.33 H new ATOM 0 HA LYS A 59 -6.759 1.933 -7.619 1.00 13.20 H new ATOM 0 HB2 LYS A 59 -6.935 4.109 -8.636 1.00 54.11 H new ATOM 0 HB3 LYS A 59 -5.244 4.467 -8.348 1.00 54.11 H new ATOM 0 HG2 LYS A 59 -4.545 2.897 -10.063 1.00 24.14 H new ATOM 0 HG3 LYS A 59 -6.180 2.297 -10.255 1.00 24.14 H new ATOM 0 HD2 LYS A 59 -5.506 3.924 -12.040 1.00 72.42 H new ATOM 0 HD3 LYS A 59 -6.944 4.410 -11.165 1.00 72.42 H new ATOM 0 HE2 LYS A 59 -5.530 6.354 -11.442 1.00 23.14 H new ATOM 0 HE3 LYS A 59 -5.549 5.924 -9.743 1.00 23.14 H new ATOM 0 HZ1 LYS A 59 -3.327 6.478 -10.829 1.00 61.11 H new ATOM 0 HZ2 LYS A 59 -3.395 5.103 -9.835 1.00 61.11 H new ATOM 0 HZ3 LYS A 59 -3.407 4.932 -11.525 1.00 61.11 H new ATOM 969 N GLU A 60 -3.506 2.194 -7.255 1.00 73.34 N ATOM 970 CA GLU A 60 -2.249 1.445 -7.326 1.00 73.44 C ATOM 971 C GLU A 60 -2.232 0.265 -6.342 1.00 64.04 C ATOM 972 O GLU A 60 -1.806 -0.834 -6.700 1.00 61.01 O ATOM 973 CB GLU A 60 -1.054 2.388 -7.081 1.00 21.41 C ATOM 974 CG GLU A 60 -0.436 2.954 -8.364 1.00 43.14 C ATOM 975 CD GLU A 60 -1.455 3.610 -9.290 1.00 52.43 C ATOM 976 OE1 GLU A 60 -1.695 4.825 -9.163 1.00 42.12 O ATOM 977 OE2 GLU A 60 -2.014 2.908 -10.160 1.00 4.33 O ATOM 0 H GLU A 60 -3.416 3.121 -6.839 1.00 73.34 H new ATOM 0 HA GLU A 60 -2.164 1.025 -8.328 1.00 73.44 H new ATOM 0 HB2 GLU A 60 -1.380 3.215 -6.451 1.00 21.41 H new ATOM 0 HB3 GLU A 60 -0.286 1.849 -6.527 1.00 21.41 H new ATOM 0 HG2 GLU A 60 0.327 3.686 -8.099 1.00 43.14 H new ATOM 0 HG3 GLU A 60 0.067 2.150 -8.901 1.00 43.14 H new ATOM 984 N ALA A 61 -2.700 0.490 -5.114 1.00 33.23 N ATOM 985 CA ALA A 61 -2.791 -0.585 -4.114 1.00 3.34 C ATOM 986 C ALA A 61 -3.676 -1.739 -4.613 1.00 74.42 C ATOM 987 O ALA A 61 -3.297 -2.912 -4.535 1.00 53.35 O ATOM 988 CB ALA A 61 -3.323 -0.040 -2.791 1.00 41.41 C ATOM 0 H ALA A 61 -3.021 1.400 -4.785 1.00 33.23 H new ATOM 0 HA ALA A 61 -1.787 -0.978 -3.954 1.00 3.34 H new ATOM 0 HB1 ALA A 61 -3.384 -0.849 -2.063 1.00 41.41 H new ATOM 0 HB2 ALA A 61 -2.651 0.733 -2.419 1.00 41.41 H new ATOM 0 HB3 ALA A 61 -4.315 0.385 -2.945 1.00 41.41 H new ATOM 994 N GLU A 62 -4.854 -1.396 -5.135 1.00 34.00 N ATOM 995 CA GLU A 62 -5.762 -2.388 -5.723 1.00 1.24 C ATOM 996 C GLU A 62 -5.111 -3.090 -6.927 1.00 11.13 C ATOM 997 O GLU A 62 -5.200 -4.310 -7.072 1.00 2.11 O ATOM 998 CB GLU A 62 -7.078 -1.720 -6.149 1.00 11.13 C ATOM 999 CG GLU A 62 -7.859 -1.103 -4.991 1.00 1.11 C ATOM 1000 CD GLU A 62 -9.145 -0.429 -5.443 1.00 40.13 C ATOM 1001 OE1 GLU A 62 -10.194 -1.107 -5.493 1.00 61.33 O ATOM 1002 OE2 GLU A 62 -9.116 0.779 -5.758 1.00 65.23 O ATOM 0 H GLU A 62 -5.204 -0.438 -5.164 1.00 34.00 H new ATOM 0 HA GLU A 62 -5.975 -3.141 -4.964 1.00 1.24 H new ATOM 0 HB2 GLU A 62 -6.860 -0.944 -6.882 1.00 11.13 H new ATOM 0 HB3 GLU A 62 -7.706 -2.460 -6.645 1.00 11.13 H new ATOM 0 HG2 GLU A 62 -8.097 -1.880 -4.264 1.00 1.11 H new ATOM 0 HG3 GLU A 62 -7.230 -0.372 -4.483 1.00 1.11 H new ATOM 1009 N ARG A 63 -4.452 -2.311 -7.783 1.00 0.02 N ATOM 1010 CA ARG A 63 -3.728 -2.856 -8.941 1.00 1.23 C ATOM 1011 C ARG A 63 -2.690 -3.910 -8.505 1.00 64.42 C ATOM 1012 O ARG A 63 -2.568 -4.970 -9.121 1.00 52.10 O ATOM 1013 CB ARG A 63 -3.060 -1.704 -9.715 1.00 72.23 C ATOM 1014 CG ARG A 63 -2.182 -2.124 -10.899 1.00 45.35 C ATOM 1015 CD ARG A 63 -0.721 -2.325 -10.492 1.00 24.44 C ATOM 1016 NE ARG A 63 -0.155 -1.126 -9.864 1.00 3.41 N ATOM 1017 CZ ARG A 63 1.102 -0.773 -9.948 1.00 62.10 C ATOM 1018 NH1 ARG A 63 1.946 -1.474 -10.631 1.00 32.41 N ATOM 1019 NH2 ARG A 63 1.513 0.298 -9.354 1.00 55.15 N ATOM 0 H ARG A 63 -4.402 -1.296 -7.700 1.00 0.02 H new ATOM 0 HA ARG A 63 -4.438 -3.359 -9.597 1.00 1.23 H new ATOM 0 HB2 ARG A 63 -3.840 -1.037 -10.082 1.00 72.23 H new ATOM 0 HB3 ARG A 63 -2.450 -1.128 -9.019 1.00 72.23 H new ATOM 0 HG2 ARG A 63 -2.569 -3.049 -11.326 1.00 45.35 H new ATOM 0 HG3 ARG A 63 -2.239 -1.365 -11.679 1.00 45.35 H new ATOM 0 HD2 ARG A 63 -0.650 -3.164 -9.800 1.00 24.44 H new ATOM 0 HD3 ARG A 63 -0.132 -2.586 -11.372 1.00 24.44 H new ATOM 0 HE ARG A 63 -0.783 -0.528 -9.326 1.00 3.41 H new ATOM 0 HH11 ARG A 63 1.636 -2.317 -11.115 1.00 32.41 H new ATOM 0 HH12 ARG A 63 2.923 -1.185 -10.686 1.00 32.41 H new ATOM 0 HH21 ARG A 63 0.858 0.868 -8.820 1.00 55.15 H new ATOM 0 HH22 ARG A 63 2.493 0.573 -9.419 1.00 55.15 H new ATOM 1033 N LEU A 64 -1.946 -3.607 -7.444 1.00 73.33 N ATOM 1034 CA LEU A 64 -0.969 -4.547 -6.882 1.00 54.23 C ATOM 1035 C LEU A 64 -1.651 -5.841 -6.419 1.00 24.03 C ATOM 1036 O LEU A 64 -1.212 -6.945 -6.752 1.00 64.34 O ATOM 1037 CB LEU A 64 -0.227 -3.892 -5.706 1.00 23.14 C ATOM 1038 CG LEU A 64 0.627 -2.665 -6.070 1.00 23.31 C ATOM 1039 CD1 LEU A 64 1.216 -2.020 -4.820 1.00 62.32 C ATOM 1040 CD2 LEU A 64 1.734 -3.056 -7.044 1.00 33.13 C ATOM 0 H LEU A 64 -1.999 -2.715 -6.952 1.00 73.33 H new ATOM 0 HA LEU A 64 -0.253 -4.802 -7.663 1.00 54.23 H new ATOM 0 HB2 LEU A 64 -0.960 -3.595 -4.956 1.00 23.14 H new ATOM 0 HB3 LEU A 64 0.418 -4.639 -5.243 1.00 23.14 H new ATOM 0 HG LEU A 64 -0.019 -1.933 -6.555 1.00 23.31 H new ATOM 0 HD11 LEU A 64 1.815 -1.155 -5.105 1.00 62.32 H new ATOM 0 HD12 LEU A 64 0.409 -1.701 -4.160 1.00 62.32 H new ATOM 0 HD13 LEU A 64 1.845 -2.742 -4.300 1.00 62.32 H new ATOM 0 HD21 LEU A 64 2.329 -2.177 -7.291 1.00 33.13 H new ATOM 0 HD22 LEU A 64 2.374 -3.809 -6.584 1.00 33.13 H new ATOM 0 HD23 LEU A 64 1.292 -3.462 -7.954 1.00 33.13 H new ATOM 1052 N ALA A 65 -2.732 -5.694 -5.657 1.00 65.15 N ATOM 1053 CA ALA A 65 -3.484 -6.842 -5.142 1.00 32.25 C ATOM 1054 C ALA A 65 -3.985 -7.756 -6.271 1.00 53.21 C ATOM 1055 O ALA A 65 -3.744 -8.964 -6.258 1.00 72.10 O ATOM 1056 CB ALA A 65 -4.657 -6.362 -4.299 1.00 12.14 C ATOM 0 H ALA A 65 -3.110 -4.788 -5.380 1.00 65.15 H new ATOM 0 HA ALA A 65 -2.805 -7.428 -4.523 1.00 32.25 H new ATOM 0 HB1 ALA A 65 -5.209 -7.222 -3.921 1.00 12.14 H new ATOM 0 HB2 ALA A 65 -4.286 -5.772 -3.461 1.00 12.14 H new ATOM 0 HB3 ALA A 65 -5.317 -5.747 -4.911 1.00 12.14 H new ATOM 1062 N LYS A 66 -4.669 -7.165 -7.248 1.00 54.44 N ATOM 1063 CA LYS A 66 -5.257 -7.925 -8.358 1.00 62.20 C ATOM 1064 C LYS A 66 -4.187 -8.659 -9.186 1.00 53.15 C ATOM 1065 O LYS A 66 -4.350 -9.834 -9.527 1.00 60.35 O ATOM 1066 CB LYS A 66 -6.069 -6.992 -9.266 1.00 74.20 C ATOM 1067 CG LYS A 66 -7.185 -6.243 -8.540 1.00 1.33 C ATOM 1068 CD LYS A 66 -8.019 -5.372 -9.484 1.00 23.04 C ATOM 1069 CE LYS A 66 -9.000 -6.189 -10.328 1.00 24.41 C ATOM 1070 NZ LYS A 66 -8.319 -7.104 -11.282 1.00 0.24 N ATOM 0 H LYS A 66 -4.832 -6.159 -7.297 1.00 54.44 H new ATOM 0 HA LYS A 66 -5.915 -8.678 -7.924 1.00 62.20 H new ATOM 0 HB2 LYS A 66 -5.395 -6.267 -9.722 1.00 74.20 H new ATOM 0 HB3 LYS A 66 -6.504 -7.577 -10.076 1.00 74.20 H new ATOM 0 HG2 LYS A 66 -7.837 -6.962 -8.043 1.00 1.33 H new ATOM 0 HG3 LYS A 66 -6.750 -5.616 -7.762 1.00 1.33 H new ATOM 0 HD2 LYS A 66 -8.573 -4.637 -8.900 1.00 23.04 H new ATOM 0 HD3 LYS A 66 -7.352 -4.817 -10.144 1.00 23.04 H new ATOM 0 HE2 LYS A 66 -9.641 -6.773 -9.668 1.00 24.41 H new ATOM 0 HE3 LYS A 66 -9.647 -5.510 -10.883 1.00 24.41 H new ATOM 0 HZ1 LYS A 66 -8.916 -7.236 -12.123 1.00 0.24 H new ATOM 0 HZ2 LYS A 66 -7.407 -6.693 -11.566 1.00 0.24 H new ATOM 0 HZ3 LYS A 66 -8.157 -8.024 -10.825 1.00 0.24 H new ATOM 1084 N GLU A 67 -3.090 -7.967 -9.501 1.00 12.30 N ATOM 1085 CA GLU A 67 -2.011 -8.553 -10.310 1.00 14.03 C ATOM 1086 C GLU A 67 -1.403 -9.801 -9.640 1.00 51.31 C ATOM 1087 O GLU A 67 -1.004 -10.750 -10.317 1.00 33.21 O ATOM 1088 CB GLU A 67 -0.914 -7.506 -10.577 1.00 40.01 C ATOM 1089 CG GLU A 67 0.219 -8.014 -11.469 1.00 22.13 C ATOM 1090 CD GLU A 67 1.230 -6.933 -11.825 1.00 12.24 C ATOM 1091 OE1 GLU A 67 1.007 -6.208 -12.815 1.00 35.01 O ATOM 1092 OE2 GLU A 67 2.261 -6.815 -11.126 1.00 43.12 O ATOM 0 H GLU A 67 -2.923 -7.004 -9.211 1.00 12.30 H new ATOM 0 HA GLU A 67 -2.447 -8.867 -11.258 1.00 14.03 H new ATOM 0 HB2 GLU A 67 -1.366 -6.630 -11.043 1.00 40.01 H new ATOM 0 HB3 GLU A 67 -0.496 -7.180 -9.625 1.00 40.01 H new ATOM 0 HG2 GLU A 67 0.733 -8.831 -10.963 1.00 22.13 H new ATOM 0 HG3 GLU A 67 -0.204 -8.423 -12.386 1.00 22.13 H new ATOM 1099 N PHE A 68 -1.342 -9.800 -8.312 1.00 1.43 N ATOM 1100 CA PHE A 68 -0.783 -10.937 -7.565 1.00 13.34 C ATOM 1101 C PHE A 68 -1.878 -11.801 -6.912 1.00 63.13 C ATOM 1102 O PHE A 68 -1.577 -12.713 -6.137 1.00 73.41 O ATOM 1103 CB PHE A 68 0.200 -10.428 -6.505 1.00 41.44 C ATOM 1104 CG PHE A 68 1.377 -9.693 -7.098 1.00 72.03 C ATOM 1105 CD1 PHE A 68 2.348 -10.379 -7.815 1.00 42.22 C ATOM 1106 CD2 PHE A 68 1.513 -8.321 -6.941 1.00 42.14 C ATOM 1107 CE1 PHE A 68 3.428 -9.711 -8.362 1.00 31.43 C ATOM 1108 CE2 PHE A 68 2.592 -7.650 -7.486 1.00 53.13 C ATOM 1109 CZ PHE A 68 3.549 -8.346 -8.198 1.00 51.01 C ATOM 0 H PHE A 68 -1.670 -9.031 -7.727 1.00 1.43 H new ATOM 0 HA PHE A 68 -0.257 -11.574 -8.276 1.00 13.34 H new ATOM 0 HB2 PHE A 68 -0.326 -9.766 -5.818 1.00 41.44 H new ATOM 0 HB3 PHE A 68 0.563 -11.272 -5.919 1.00 41.44 H new ATOM 0 HD1 PHE A 68 2.259 -11.447 -7.947 1.00 42.22 H new ATOM 0 HD2 PHE A 68 0.767 -7.771 -6.387 1.00 42.14 H new ATOM 0 HE1 PHE A 68 4.176 -10.257 -8.917 1.00 31.43 H new ATOM 0 HE2 PHE A 68 2.686 -6.582 -7.355 1.00 53.13 H new ATOM 0 HZ PHE A 68 4.391 -7.823 -8.626 1.00 51.01 H new ATOM 1119 N ASN A 69 -3.143 -11.509 -7.237 1.00 32.14 N ATOM 1120 CA ASN A 69 -4.299 -12.277 -6.733 1.00 3.10 C ATOM 1121 C ASN A 69 -4.377 -12.282 -5.192 1.00 23.15 C ATOM 1122 O ASN A 69 -4.881 -13.233 -4.581 1.00 61.23 O ATOM 1123 CB ASN A 69 -4.251 -13.714 -7.273 1.00 3.32 C ATOM 1124 CG ASN A 69 -4.339 -13.766 -8.790 1.00 1.41 C ATOM 1125 OD1 ASN A 69 -4.966 -12.918 -9.424 1.00 12.45 O ATOM 1126 ND2 ASN A 69 -3.715 -14.760 -9.386 1.00 74.02 N ATOM 0 H ASN A 69 -3.399 -10.738 -7.854 1.00 32.14 H new ATOM 0 HA ASN A 69 -5.201 -11.783 -7.094 1.00 3.10 H new ATOM 0 HB2 ASN A 69 -3.326 -14.190 -6.949 1.00 3.32 H new ATOM 0 HB3 ASN A 69 -5.072 -14.288 -6.844 1.00 3.32 H new ATOM 0 HD21 ASN A 69 -3.743 -14.843 -10.402 1.00 74.02 H new ATOM 0 HD22 ASN A 69 -3.204 -15.447 -8.832 1.00 74.02 H new ATOM 1133 N ILE A 70 -3.907 -11.203 -4.570 1.00 32.25 N ATOM 1134 CA ILE A 70 -3.911 -11.080 -3.105 1.00 13.45 C ATOM 1135 C ILE A 70 -4.936 -10.035 -2.623 1.00 32.14 C ATOM 1136 O ILE A 70 -5.605 -9.383 -3.428 1.00 64.43 O ATOM 1137 CB ILE A 70 -2.503 -10.714 -2.564 1.00 64.30 C ATOM 1138 CG1 ILE A 70 -2.048 -9.348 -3.103 1.00 14.31 C ATOM 1139 CG2 ILE A 70 -1.495 -11.802 -2.932 1.00 5.01 C ATOM 1140 CD1 ILE A 70 -0.691 -8.903 -2.596 1.00 64.53 C ATOM 0 H ILE A 70 -3.516 -10.396 -5.056 1.00 32.25 H new ATOM 0 HA ILE A 70 -4.198 -12.055 -2.711 1.00 13.45 H new ATOM 0 HB ILE A 70 -2.559 -10.646 -1.478 1.00 64.30 H new ATOM 0 HG12 ILE A 70 -2.021 -9.390 -4.192 1.00 14.31 H new ATOM 0 HG13 ILE A 70 -2.790 -8.597 -2.831 1.00 14.31 H new ATOM 0 HG21 ILE A 70 -0.512 -11.532 -2.546 1.00 5.01 H new ATOM 0 HG22 ILE A 70 -1.808 -12.751 -2.496 1.00 5.01 H new ATOM 0 HG23 ILE A 70 -1.445 -11.900 -4.016 1.00 5.01 H new ATOM 0 HD11 ILE A 70 -0.444 -7.931 -3.023 1.00 64.53 H new ATOM 0 HD12 ILE A 70 -0.716 -8.826 -1.509 1.00 64.53 H new ATOM 0 HD13 ILE A 70 0.064 -9.631 -2.891 1.00 64.53 H new ATOM 1152 N THR A 71 -5.061 -9.889 -1.304 1.00 34.42 N ATOM 1153 CA THR A 71 -6.002 -8.927 -0.705 1.00 63.34 C ATOM 1154 C THR A 71 -5.288 -7.664 -0.202 1.00 1.23 C ATOM 1155 O THR A 71 -4.106 -7.695 0.140 1.00 51.40 O ATOM 1156 CB THR A 71 -6.792 -9.552 0.477 1.00 11.42 C ATOM 1157 OG1 THR A 71 -5.896 -10.070 1.476 1.00 72.02 O ATOM 1158 CG2 THR A 71 -7.716 -10.665 -0.002 1.00 71.44 C ATOM 0 H THR A 71 -4.523 -10.424 -0.623 1.00 34.42 H new ATOM 0 HA THR A 71 -6.696 -8.655 -1.500 1.00 63.34 H new ATOM 0 HB THR A 71 -7.397 -8.759 0.916 1.00 11.42 H new ATOM 0 HG1 THR A 71 -4.984 -10.094 1.117 1.00 72.02 H new ATOM 0 HG21 THR A 71 -8.255 -11.082 0.849 1.00 71.44 H new ATOM 0 HG22 THR A 71 -8.429 -10.262 -0.721 1.00 71.44 H new ATOM 0 HG23 THR A 71 -7.126 -11.449 -0.477 1.00 71.44 H new ATOM 1166 N VAL A 72 -6.021 -6.550 -0.160 1.00 3.10 N ATOM 1167 CA VAL A 72 -5.473 -5.279 0.326 1.00 34.23 C ATOM 1168 C VAL A 72 -6.570 -4.379 0.921 1.00 64.40 C ATOM 1169 O VAL A 72 -7.698 -4.330 0.419 1.00 74.35 O ATOM 1170 CB VAL A 72 -4.743 -4.505 -0.806 1.00 63.34 C ATOM 1171 CG1 VAL A 72 -5.715 -4.092 -1.915 1.00 24.01 C ATOM 1172 CG2 VAL A 72 -4.005 -3.287 -0.249 1.00 51.33 C ATOM 0 H VAL A 72 -6.996 -6.501 -0.456 1.00 3.10 H new ATOM 0 HA VAL A 72 -4.757 -5.531 1.108 1.00 34.23 H new ATOM 0 HB VAL A 72 -4.006 -5.178 -1.243 1.00 63.34 H new ATOM 0 HG11 VAL A 72 -5.173 -3.552 -2.692 1.00 24.01 H new ATOM 0 HG12 VAL A 72 -6.176 -4.981 -2.345 1.00 24.01 H new ATOM 0 HG13 VAL A 72 -6.489 -3.448 -1.499 1.00 24.01 H new ATOM 0 HG21 VAL A 72 -3.502 -2.763 -1.062 1.00 51.33 H new ATOM 0 HG22 VAL A 72 -4.719 -2.616 0.229 1.00 51.33 H new ATOM 0 HG23 VAL A 72 -3.267 -3.613 0.484 1.00 51.33 H new ATOM 1182 N THR A 73 -6.237 -3.684 2.006 1.00 1.33 N ATOM 1183 CA THR A 73 -7.129 -2.684 2.603 1.00 35.23 C ATOM 1184 C THR A 73 -6.466 -1.303 2.573 1.00 34.02 C ATOM 1185 O THR A 73 -5.259 -1.176 2.780 1.00 54.43 O ATOM 1186 CB THR A 73 -7.513 -3.035 4.065 1.00 43.21 C ATOM 1187 OG1 THR A 73 -6.341 -3.113 4.890 1.00 12.43 O ATOM 1188 CG2 THR A 73 -8.274 -4.356 4.129 1.00 32.45 C ATOM 0 H THR A 73 -5.349 -3.794 2.496 1.00 1.33 H new ATOM 0 HA THR A 73 -8.043 -2.676 2.009 1.00 35.23 H new ATOM 0 HB THR A 73 -8.160 -2.241 4.437 1.00 43.21 H new ATOM 0 HG1 THR A 73 -6.182 -4.046 5.145 1.00 12.43 H new ATOM 0 HG21 THR A 73 -8.531 -4.578 5.165 1.00 32.45 H new ATOM 0 HG22 THR A 73 -9.186 -4.279 3.537 1.00 32.45 H new ATOM 0 HG23 THR A 73 -7.649 -5.155 3.731 1.00 32.45 H new ATOM 1196 N TYR A 74 -7.257 -0.270 2.301 1.00 34.42 N ATOM 1197 CA TYR A 74 -6.733 1.094 2.165 1.00 54.50 C ATOM 1198 C TYR A 74 -7.690 2.117 2.796 1.00 4.23 C ATOM 1199 O TYR A 74 -8.852 2.221 2.395 1.00 32.22 O ATOM 1200 CB TYR A 74 -6.495 1.417 0.675 1.00 71.43 C ATOM 1201 CG TYR A 74 -7.719 1.223 -0.216 1.00 4.33 C ATOM 1202 CD1 TYR A 74 -8.112 -0.049 -0.626 1.00 33.14 C ATOM 1203 CD2 TYR A 74 -8.480 2.309 -0.639 1.00 61.25 C ATOM 1204 CE1 TYR A 74 -9.221 -0.231 -1.432 1.00 24.21 C ATOM 1205 CE2 TYR A 74 -9.592 2.133 -1.444 1.00 3.34 C ATOM 1206 CZ TYR A 74 -9.960 0.862 -1.838 1.00 41.11 C ATOM 1207 OH TYR A 74 -11.071 0.685 -2.638 1.00 32.20 O ATOM 0 H TYR A 74 -8.266 -0.347 2.169 1.00 34.42 H new ATOM 0 HA TYR A 74 -5.783 1.156 2.697 1.00 54.50 H new ATOM 0 HB2 TYR A 74 -6.158 2.450 0.589 1.00 71.43 H new ATOM 0 HB3 TYR A 74 -5.687 0.787 0.304 1.00 71.43 H new ATOM 0 HD1 TYR A 74 -7.540 -0.909 -0.309 1.00 33.14 H new ATOM 0 HD2 TYR A 74 -8.198 3.306 -0.334 1.00 61.25 H new ATOM 0 HE1 TYR A 74 -9.508 -1.225 -1.743 1.00 24.21 H new ATOM 0 HE2 TYR A 74 -10.170 2.988 -1.763 1.00 3.34 H new ATOM 0 HH TYR A 74 -11.477 1.556 -2.831 1.00 32.20 H new ATOM 1217 N THR A 75 -7.213 2.865 3.792 1.00 12.12 N ATOM 1218 CA THR A 75 -8.064 3.837 4.502 1.00 15.10 C ATOM 1219 C THR A 75 -7.254 4.993 5.108 1.00 2.54 C ATOM 1220 O THR A 75 -6.418 4.786 5.989 1.00 72.34 O ATOM 1221 CB THR A 75 -8.871 3.151 5.638 1.00 4.42 C ATOM 1222 OG1 THR A 75 -9.665 2.073 5.105 1.00 13.40 O ATOM 1223 CG2 THR A 75 -9.786 4.147 6.351 1.00 71.44 C ATOM 0 H THR A 75 -6.251 2.822 4.128 1.00 12.12 H new ATOM 0 HA THR A 75 -8.744 4.242 3.753 1.00 15.10 H new ATOM 0 HB THR A 75 -8.155 2.759 6.360 1.00 4.42 H new ATOM 0 HG1 THR A 75 -10.168 1.647 5.831 1.00 13.40 H new ATOM 0 HG21 THR A 75 -10.336 3.635 7.140 1.00 71.44 H new ATOM 0 HG22 THR A 75 -9.185 4.945 6.787 1.00 71.44 H new ATOM 0 HG23 THR A 75 -10.489 4.572 5.635 1.00 71.44 H new ATOM 1231 N ILE A 76 -7.510 6.211 4.633 1.00 33.42 N ATOM 1232 CA ILE A 76 -6.939 7.421 5.242 1.00 25.14 C ATOM 1233 C ILE A 76 -7.690 7.776 6.533 1.00 21.50 C ATOM 1234 O ILE A 76 -8.913 7.627 6.604 1.00 31.22 O ATOM 1235 CB ILE A 76 -6.994 8.631 4.260 1.00 2.23 C ATOM 1236 CG1 ILE A 76 -6.012 8.415 3.096 1.00 71.42 C ATOM 1237 CG2 ILE A 76 -6.706 9.955 4.978 1.00 53.31 C ATOM 1238 CD1 ILE A 76 -5.900 9.594 2.153 1.00 44.43 C ATOM 0 H ILE A 76 -8.109 6.391 3.827 1.00 33.42 H new ATOM 0 HA ILE A 76 -5.895 7.210 5.474 1.00 25.14 H new ATOM 0 HB ILE A 76 -8.006 8.693 3.859 1.00 2.23 H new ATOM 0 HG12 ILE A 76 -5.025 8.195 3.504 1.00 71.42 H new ATOM 0 HG13 ILE A 76 -6.325 7.539 2.529 1.00 71.42 H new ATOM 0 HG21 ILE A 76 -6.753 10.775 4.262 1.00 53.31 H new ATOM 0 HG22 ILE A 76 -7.448 10.114 5.760 1.00 53.31 H new ATOM 0 HG23 ILE A 76 -5.712 9.919 5.423 1.00 53.31 H new ATOM 0 HD11 ILE A 76 -5.188 9.360 1.361 1.00 44.43 H new ATOM 0 HD12 ILE A 76 -6.876 9.803 1.714 1.00 44.43 H new ATOM 0 HD13 ILE A 76 -5.555 10.469 2.704 1.00 44.43 H new ATOM 1250 N ARG A 77 -6.967 8.241 7.554 1.00 21.44 N ATOM 1251 CA ARG A 77 -7.614 8.640 8.808 1.00 24.13 C ATOM 1252 C ARG A 77 -8.496 9.886 8.602 1.00 63.22 C ATOM 1253 O ARG A 77 -8.035 11.022 8.631 1.00 43.34 O ATOM 1254 CB ARG A 77 -6.589 8.822 9.957 1.00 1.31 C ATOM 1255 CG ARG A 77 -5.247 9.482 9.585 1.00 25.02 C ATOM 1256 CD ARG A 77 -5.349 10.992 9.382 1.00 51.22 C ATOM 1257 NE ARG A 77 -6.098 11.653 10.456 1.00 64.01 N ATOM 1258 CZ ARG A 77 -5.873 12.869 10.874 1.00 65.43 C ATOM 1259 NH1 ARG A 77 -4.884 13.559 10.411 1.00 64.24 N ATOM 1260 NH2 ARG A 77 -6.639 13.389 11.776 1.00 14.31 N ATOM 0 H ARG A 77 -5.953 8.350 7.541 1.00 21.44 H new ATOM 0 HA ARG A 77 -8.272 7.827 9.116 1.00 24.13 H new ATOM 0 HB2 ARG A 77 -7.057 9.419 10.740 1.00 1.31 H new ATOM 0 HB3 ARG A 77 -6.380 7.842 10.386 1.00 1.31 H new ATOM 0 HG2 ARG A 77 -4.520 9.277 10.371 1.00 25.02 H new ATOM 0 HG3 ARG A 77 -4.867 9.025 8.671 1.00 25.02 H new ATOM 0 HD2 ARG A 77 -4.347 11.417 9.328 1.00 51.22 H new ATOM 0 HD3 ARG A 77 -5.834 11.195 8.427 1.00 51.22 H new ATOM 0 HE ARG A 77 -6.846 11.126 10.907 1.00 64.01 H new ATOM 0 HH11 ARG A 77 -4.265 13.155 9.708 1.00 64.24 H new ATOM 0 HH12 ARG A 77 -4.722 14.508 10.748 1.00 64.24 H new ATOM 0 HH21 ARG A 77 -7.416 12.849 12.158 1.00 14.31 H new ATOM 0 HH22 ARG A 77 -6.467 14.339 12.106 1.00 14.31 H new ATOM 1274 N LEU A 78 -9.779 9.643 8.354 1.00 73.42 N ATOM 1275 CA LEU A 78 -10.740 10.713 8.067 1.00 62.31 C ATOM 1276 C LEU A 78 -10.909 11.676 9.252 1.00 23.33 C ATOM 1277 O LEU A 78 -10.826 11.277 10.416 1.00 42.33 O ATOM 1278 CB LEU A 78 -12.103 10.111 7.694 1.00 51.40 C ATOM 1279 CG LEU A 78 -12.094 9.146 6.496 1.00 3.12 C ATOM 1280 CD1 LEU A 78 -13.490 8.576 6.251 1.00 73.31 C ATOM 1281 CD2 LEU A 78 -11.567 9.844 5.242 1.00 34.12 C ATOM 0 H LEU A 78 -10.184 8.707 8.345 1.00 73.42 H new ATOM 0 HA LEU A 78 -10.344 11.286 7.228 1.00 62.31 H new ATOM 0 HB2 LEU A 78 -12.497 9.582 8.562 1.00 51.40 H new ATOM 0 HB3 LEU A 78 -12.794 10.926 7.477 1.00 51.40 H new ATOM 0 HG LEU A 78 -11.425 8.319 6.731 1.00 3.12 H new ATOM 0 HD11 LEU A 78 -13.461 7.896 5.399 1.00 73.31 H new ATOM 0 HD12 LEU A 78 -13.822 8.034 7.137 1.00 73.31 H new ATOM 0 HD13 LEU A 78 -14.184 9.390 6.042 1.00 73.31 H new ATOM 0 HD21 LEU A 78 -11.569 9.143 4.407 1.00 34.12 H new ATOM 0 HD22 LEU A 78 -12.206 10.695 5.003 1.00 34.12 H new ATOM 0 HD23 LEU A 78 -10.550 10.193 5.420 1.00 34.12 H new ATOM 1293 N GLU A 79 -11.154 12.944 8.944 1.00 41.21 N ATOM 1294 CA GLU A 79 -11.395 13.958 9.971 1.00 34.50 C ATOM 1295 C GLU A 79 -12.900 14.148 10.213 1.00 72.33 C ATOM 1296 O GLU A 79 -13.692 14.200 9.268 1.00 60.41 O ATOM 1297 CB GLU A 79 -10.763 15.293 9.558 1.00 75.33 C ATOM 1298 CG GLU A 79 -9.248 15.237 9.391 1.00 31.50 C ATOM 1299 CD GLU A 79 -8.665 16.572 8.955 1.00 5.34 C ATOM 1300 OE1 GLU A 79 -8.678 17.522 9.769 1.00 22.43 O ATOM 1301 OE2 GLU A 79 -8.213 16.685 7.796 1.00 41.41 O ATOM 0 H GLU A 79 -11.192 13.298 7.988 1.00 41.21 H new ATOM 0 HA GLU A 79 -10.936 13.615 10.898 1.00 34.50 H new ATOM 0 HB2 GLU A 79 -11.210 15.620 8.619 1.00 75.33 H new ATOM 0 HB3 GLU A 79 -11.008 16.046 10.307 1.00 75.33 H new ATOM 0 HG2 GLU A 79 -8.792 14.935 10.334 1.00 31.50 H new ATOM 0 HG3 GLU A 79 -8.994 14.474 8.655 1.00 31.50 H new ATOM 1308 N HIS A 80 -13.293 14.254 11.480 1.00 70.42 N ATOM 1309 CA HIS A 80 -14.702 14.450 11.836 1.00 20.11 C ATOM 1310 C HIS A 80 -15.076 15.938 11.742 1.00 30.21 C ATOM 1311 O HIS A 80 -14.533 16.770 12.468 1.00 0.03 O ATOM 1312 CB HIS A 80 -14.977 13.912 13.249 1.00 61.31 C ATOM 1313 CG HIS A 80 -14.623 12.464 13.416 1.00 14.35 C ATOM 1314 ND1 HIS A 80 -15.557 11.451 13.435 1.00 31.54 N ATOM 1315 CD2 HIS A 80 -13.420 11.857 13.571 1.00 53.23 C ATOM 1316 CE1 HIS A 80 -14.949 10.293 13.596 1.00 63.42 C ATOM 1317 NE2 HIS A 80 -13.653 10.511 13.680 1.00 61.42 N ATOM 0 H HIS A 80 -12.660 14.208 12.278 1.00 70.42 H new ATOM 0 HA HIS A 80 -15.320 13.895 11.130 1.00 20.11 H new ATOM 0 HB2 HIS A 80 -14.412 14.502 13.970 1.00 61.31 H new ATOM 0 HB3 HIS A 80 -16.033 14.049 13.483 1.00 61.31 H new ATOM 0 HD2 HIS A 80 -12.457 12.344 13.603 1.00 53.23 H new ATOM 0 HE1 HIS A 80 -15.432 9.328 13.650 1.00 63.42 H new ATOM 0 HE2 HIS A 80 -12.938 9.794 13.806 1.00 61.42 H new ATOM 1326 N HIS A 81 -15.996 16.270 10.836 1.00 62.00 N ATOM 1327 CA HIS A 81 -16.384 17.666 10.603 1.00 51.04 C ATOM 1328 C HIS A 81 -17.141 18.245 11.813 1.00 24.41 C ATOM 1329 O HIS A 81 -16.709 19.234 12.407 1.00 42.41 O ATOM 1330 CB HIS A 81 -17.226 17.766 9.325 1.00 12.40 C ATOM 1331 CG HIS A 81 -16.534 17.189 8.123 1.00 73.43 C ATOM 1332 ND1 HIS A 81 -15.370 17.712 7.601 1.00 24.31 N ATOM 1333 CD2 HIS A 81 -16.828 16.110 7.356 1.00 24.03 C ATOM 1334 CE1 HIS A 81 -14.981 16.986 6.574 1.00 70.14 C ATOM 1335 NE2 HIS A 81 -15.846 16.008 6.401 1.00 2.42 N ATOM 0 H HIS A 81 -16.487 15.594 10.251 1.00 62.00 H new ATOM 0 HA HIS A 81 -15.480 18.260 10.474 1.00 51.04 H new ATOM 0 HB2 HIS A 81 -18.172 17.247 9.478 1.00 12.40 H new ATOM 0 HB3 HIS A 81 -17.464 18.812 9.134 1.00 12.40 H new ATOM 0 HD2 HIS A 81 -17.677 15.453 7.474 1.00 24.03 H new ATOM 0 HE1 HIS A 81 -14.100 17.163 5.974 1.00 70.14 H new ATOM 0 HE2 HIS A 81 -15.795 15.292 5.676 1.00 2.42 H new ATOM 1344 N HIS A 82 -18.288 17.645 12.139 1.00 71.42 N ATOM 1345 CA HIS A 82 -19.004 17.918 13.400 1.00 42.04 C ATOM 1346 C HIS A 82 -19.621 19.338 13.489 1.00 75.51 C ATOM 1347 O HIS A 82 -20.554 19.555 14.264 1.00 44.13 O ATOM 1348 CB HIS A 82 -18.059 17.663 14.588 1.00 33.22 C ATOM 1349 CG HIS A 82 -18.689 17.859 15.935 1.00 10.00 C ATOM 1350 ND1 HIS A 82 -19.533 16.935 16.510 1.00 44.33 N ATOM 1351 CD2 HIS A 82 -18.588 18.875 16.828 1.00 34.14 C ATOM 1352 CE1 HIS A 82 -19.920 17.369 17.691 1.00 12.15 C ATOM 1353 NE2 HIS A 82 -19.364 18.540 17.910 1.00 41.35 N ATOM 0 H HIS A 82 -18.750 16.958 11.543 1.00 71.42 H new ATOM 0 HA HIS A 82 -19.852 17.234 13.431 1.00 42.04 H new ATOM 0 HB2 HIS A 82 -17.680 16.643 14.523 1.00 33.22 H new ATOM 0 HB3 HIS A 82 -17.200 18.328 14.502 1.00 33.22 H new ATOM 0 HD2 HIS A 82 -18.007 19.778 16.710 1.00 34.14 H new ATOM 0 HE1 HIS A 82 -20.583 16.850 18.367 1.00 12.15 H new ATOM 0 HE2 HIS A 82 -19.489 19.108 18.748 1.00 41.35 H new ATOM 1362 N HIS A 83 -19.113 20.297 12.712 1.00 71.40 N ATOM 1363 CA HIS A 83 -19.607 21.683 12.768 1.00 52.12 C ATOM 1364 C HIS A 83 -21.081 21.778 12.324 1.00 43.31 C ATOM 1365 O HIS A 83 -21.437 21.353 11.222 1.00 65.40 O ATOM 1366 CB HIS A 83 -18.737 22.600 11.897 1.00 23.01 C ATOM 1367 CG HIS A 83 -17.288 22.625 12.290 1.00 22.34 C ATOM 1368 ND1 HIS A 83 -16.275 22.870 11.390 1.00 55.45 N ATOM 1369 CD2 HIS A 83 -16.680 22.445 13.491 1.00 1.52 C ATOM 1370 CE1 HIS A 83 -15.115 22.837 12.011 1.00 1.24 C ATOM 1371 NE2 HIS A 83 -15.331 22.583 13.283 1.00 54.15 N ATOM 0 H HIS A 83 -18.363 20.145 12.038 1.00 71.40 H new ATOM 0 HA HIS A 83 -19.545 22.011 13.806 1.00 52.12 H new ATOM 0 HB2 HIS A 83 -18.815 22.278 10.859 1.00 23.01 H new ATOM 0 HB3 HIS A 83 -19.134 23.614 11.947 1.00 23.01 H new ATOM 0 HD2 HIS A 83 -17.166 22.233 14.432 1.00 1.52 H new ATOM 0 HE1 HIS A 83 -14.149 22.992 11.553 1.00 1.24 H new ATOM 0 HE2 HIS A 83 -14.611 22.502 14.000 1.00 54.15 H new ATOM 1380 N HIS A 84 -21.930 22.343 13.183 1.00 62.43 N ATOM 1381 CA HIS A 84 -23.370 22.444 12.899 1.00 31.15 C ATOM 1382 C HIS A 84 -23.781 23.869 12.498 1.00 62.50 C ATOM 1383 O HIS A 84 -23.269 24.854 13.028 1.00 3.31 O ATOM 1384 CB HIS A 84 -24.188 21.987 14.114 1.00 64.44 C ATOM 1385 CG HIS A 84 -25.673 22.151 13.938 1.00 41.13 C ATOM 1386 ND1 HIS A 84 -26.433 21.311 13.153 1.00 61.02 N ATOM 1387 CD2 HIS A 84 -26.536 23.071 14.439 1.00 53.42 C ATOM 1388 CE1 HIS A 84 -27.691 21.704 13.176 1.00 23.33 C ATOM 1389 NE2 HIS A 84 -27.780 22.766 13.946 1.00 41.03 N ATOM 0 H HIS A 84 -21.650 22.738 14.081 1.00 62.43 H new ATOM 0 HA HIS A 84 -23.578 21.789 12.053 1.00 31.15 H new ATOM 0 HB2 HIS A 84 -23.968 20.939 14.316 1.00 64.44 H new ATOM 0 HB3 HIS A 84 -23.870 22.553 14.989 1.00 64.44 H new ATOM 0 HD2 HIS A 84 -26.290 23.889 15.101 1.00 53.42 H new ATOM 0 HE1 HIS A 84 -28.510 21.234 12.651 1.00 23.33 H new ATOM 0 HE2 HIS A 84 -28.637 23.281 14.145 1.00 41.03 H new ATOM 1398 N HIS A 85 -24.708 23.963 11.545 1.00 11.21 N ATOM 1399 CA HIS A 85 -25.288 25.250 11.132 1.00 21.42 C ATOM 1400 C HIS A 85 -26.831 25.206 11.189 1.00 65.43 C ATOM 1401 O HIS A 85 -27.406 25.590 12.228 1.00 38.60 O ATOM 1402 CB HIS A 85 -24.814 25.605 9.714 1.00 74.14 C ATOM 1403 CG HIS A 85 -23.327 25.764 9.601 1.00 35.11 C ATOM 1404 ND1 HIS A 85 -22.491 24.766 9.144 1.00 3.15 N ATOM 1405 CD2 HIS A 85 -22.526 26.813 9.891 1.00 70.03 C ATOM 1406 CE1 HIS A 85 -21.246 25.195 9.162 1.00 45.51 C ATOM 1407 NE2 HIS A 85 -21.238 26.431 9.609 1.00 40.12 N ATOM 1408 OXT HIS A 85 -27.456 24.771 10.195 1.00 38.60 O ATOM 0 H HIS A 85 -25.079 23.159 11.038 1.00 11.21 H new ATOM 0 HA HIS A 85 -24.949 26.020 11.825 1.00 21.42 H new ATOM 0 HB2 HIS A 85 -25.141 24.827 9.025 1.00 74.14 H new ATOM 0 HB3 HIS A 85 -25.295 26.531 9.400 1.00 74.14 H new ATOM 0 HD2 HIS A 85 -22.841 27.773 10.273 1.00 70.03 H new ATOM 0 HE1 HIS A 85 -20.378 24.627 8.860 1.00 45.51 H new ATOM 0 HE2 HIS A 85 -20.408 27.013 9.727 1.00 40.12 H new TER 1417 HIS A 85