USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 673 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 56 GLN :FLIP amide:sc= -0.345 F(o=-3.4!,f=-0.43) USER MOD Set 1.2: A 59 HIS :FLIP no HD1:sc= -0.0881 X(o=-0.72,f=-0.43) USER MOD Set 2.1: A 12 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 16 LYS NZ :NH3+ 171:sc= 1.27 (180deg=1.24) USER MOD Single : A 1 ARG N :NH3+ -161:sc= 1.07 (180deg=0.532) USER MOD Single : A 5 GLN : amide:sc= 1.25 K(o=1.2,f=-7.9!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0.0145 USER MOD Single : A 15 MET CE :methyl -116:sc= -1.85! (180deg=-3.23!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 69:sc= 0.183 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 THR OG1 : rot -1:sc= 0.0436 USER MOD Single : A 38 MET CE :methyl 153:sc= -0.0913 (180deg=-1.23) USER MOD Single : A 40 GLN : amide:sc= 0.0338 X(o=0.034,f=-0.025) USER MOD Single : A 43 GLN : amide:sc= -0.189 X(o=-0.19,f=-0.19) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= -0.108 USER MOD Single : A 50 THR OG1 : rot 91:sc= 0.56 USER MOD Single : A 52 THR OG1 : rot 78:sc= 0.611 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 27:sc= 0.314 USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 TYR OH : rot 13:sc= 1.3 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -172:sc= 1.26 (180deg=1.07) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -13.754 10.588 12.045 1.00 1.75 N ATOM 2 CA ARG A 1 -13.970 9.124 12.210 1.00 1.74 C ATOM 3 C ARG A 1 -15.302 8.640 11.632 1.00 1.77 C ATOM 4 O ARG A 1 -15.335 7.792 10.730 1.00 1.74 O ATOM 5 CB ARG A 1 -13.756 8.704 13.685 1.00 1.77 C ATOM 6 CG ARG A 1 -13.759 7.181 13.928 1.00 1.77 C ATOM 7 CD ARG A 1 -15.121 6.658 14.408 1.00 1.83 C ATOM 8 NE ARG A 1 -15.125 5.191 14.511 1.00 1.84 N ATOM 9 CZ ARG A 1 -14.793 4.433 15.535 1.00 1.86 C ATOM 10 NH1 ARG A 1 -14.386 4.917 16.672 1.00 1.89 N ATOM 11 NH2 ARG A 1 -14.877 3.145 15.402 1.00 1.87 N ATOM 0 H1 ARG A 1 -12.742 10.804 12.150 1.00 1.75 H new ATOM 0 H2 ARG A 1 -14.074 10.882 11.100 1.00 1.75 H new ATOM 0 H3 ARG A 1 -14.295 11.102 12.769 1.00 1.75 H new ATOM 0 HA ARG A 1 -13.214 8.614 11.612 1.00 1.74 H new ATOM 0 HB2 ARG A 1 -12.806 9.111 14.030 1.00 1.77 H new ATOM 0 HB3 ARG A 1 -14.538 9.157 14.295 1.00 1.77 H new ATOM 0 HG2 ARG A 1 -13.483 6.670 13.006 1.00 1.77 H new ATOM 0 HG3 ARG A 1 -12.998 6.934 14.669 1.00 1.77 H new ATOM 0 HD2 ARG A 1 -15.358 7.093 15.379 1.00 1.83 H new ATOM 0 HD3 ARG A 1 -15.900 6.978 13.716 1.00 1.83 H new ATOM 0 HE ARG A 1 -15.426 4.692 13.674 1.00 1.84 H new ATOM 0 HH11 ARG A 1 -14.313 5.926 16.800 1.00 1.89 H new ATOM 0 HH12 ARG A 1 -14.140 4.287 17.436 1.00 1.89 H new ATOM 0 HH21 ARG A 1 -15.194 2.743 14.520 1.00 1.87 H new ATOM 0 HH22 ARG A 1 -14.626 2.535 16.180 1.00 1.87 H new ATOM 27 N ALA A 2 -16.417 9.140 12.174 1.00 1.84 N ATOM 28 CA ALA A 2 -17.745 8.597 11.873 1.00 1.89 C ATOM 29 C ALA A 2 -18.170 8.785 10.407 1.00 1.88 C ATOM 30 O ALA A 2 -18.765 7.886 9.818 1.00 1.89 O ATOM 31 CB ALA A 2 -18.758 9.231 12.835 1.00 1.97 C ATOM 0 H ALA A 2 -16.425 9.924 12.827 1.00 1.84 H new ATOM 0 HA ALA A 2 -17.708 7.517 12.017 1.00 1.89 H new ATOM 0 HB1 ALA A 2 -19.753 8.839 12.626 1.00 1.97 H new ATOM 0 HB2 ALA A 2 -18.482 8.993 13.862 1.00 1.97 H new ATOM 0 HB3 ALA A 2 -18.759 10.313 12.701 1.00 1.97 H new ATOM 37 N ASP A 3 -17.816 9.919 9.797 1.00 1.87 N ATOM 38 CA ASP A 3 -18.135 10.188 8.390 1.00 1.88 C ATOM 39 C ASP A 3 -17.277 9.369 7.410 1.00 1.81 C ATOM 40 O ASP A 3 -17.781 8.964 6.365 1.00 1.82 O ATOM 41 CB ASP A 3 -17.965 11.691 8.131 1.00 1.90 C ATOM 42 CG ASP A 3 -18.482 12.103 6.743 1.00 1.92 C ATOM 43 OD1 ASP A 3 -19.712 12.022 6.508 1.00 1.98 O ATOM 44 OD2 ASP A 3 -17.670 12.557 5.902 1.00 1.89 O ATOM 0 H ASP A 3 -17.305 10.671 10.258 1.00 1.87 H new ATOM 0 HA ASP A 3 -19.166 9.881 8.212 1.00 1.88 H new ATOM 0 HB2 ASP A 3 -18.499 12.253 8.897 1.00 1.90 H new ATOM 0 HB3 ASP A 3 -16.911 11.956 8.218 1.00 1.90 H new ATOM 49 N GLU A 4 -16.028 9.043 7.776 1.00 1.74 N ATOM 50 CA GLU A 4 -15.195 8.149 6.959 1.00 1.68 C ATOM 51 C GLU A 4 -15.785 6.740 6.996 1.00 1.69 C ATOM 52 O GLU A 4 -15.991 6.120 5.954 1.00 1.68 O ATOM 53 CB GLU A 4 -13.747 8.112 7.472 1.00 1.62 C ATOM 54 CG GLU A 4 -13.050 9.480 7.501 1.00 1.61 C ATOM 55 CD GLU A 4 -13.128 10.117 8.899 1.00 1.65 C ATOM 56 OE1 GLU A 4 -14.213 10.592 9.315 1.00 1.71 O ATOM 57 OE2 GLU A 4 -12.119 10.101 9.639 1.00 1.62 O ATOM 0 H GLU A 4 -15.576 9.382 8.625 1.00 1.74 H new ATOM 0 HA GLU A 4 -15.183 8.527 5.937 1.00 1.68 H new ATOM 0 HB2 GLU A 4 -13.741 7.693 8.478 1.00 1.62 H new ATOM 0 HB3 GLU A 4 -13.168 7.436 6.842 1.00 1.62 H new ATOM 0 HG2 GLU A 4 -12.006 9.365 7.209 1.00 1.61 H new ATOM 0 HG3 GLU A 4 -13.514 10.143 6.771 1.00 1.61 H new ATOM 64 N GLN A 5 -16.152 6.264 8.193 1.00 1.72 N ATOM 65 CA GLN A 5 -16.820 4.968 8.312 1.00 1.75 C ATOM 66 C GLN A 5 -18.152 4.930 7.545 1.00 1.81 C ATOM 67 O GLN A 5 -18.367 4.013 6.754 1.00 1.81 O ATOM 68 CB GLN A 5 -16.984 4.538 9.776 1.00 1.78 C ATOM 69 CG GLN A 5 -15.632 4.150 10.408 1.00 1.73 C ATOM 70 CD GLN A 5 -15.774 3.007 11.410 1.00 1.77 C ATOM 71 OE1 GLN A 5 -15.749 3.189 12.621 1.00 1.80 O ATOM 72 NE2 GLN A 5 -15.932 1.786 10.950 1.00 1.77 N ATOM 0 H GLN A 5 -16.000 6.750 9.077 1.00 1.72 H new ATOM 0 HA GLN A 5 -16.167 4.234 7.840 1.00 1.75 H new ATOM 0 HB2 GLN A 5 -17.433 5.351 10.347 1.00 1.78 H new ATOM 0 HB3 GLN A 5 -17.669 3.692 9.833 1.00 1.78 H new ATOM 0 HG2 GLN A 5 -14.935 3.858 9.622 1.00 1.73 H new ATOM 0 HG3 GLN A 5 -15.203 5.019 10.908 1.00 1.73 H new ATOM 0 HE21 GLN A 5 -15.955 1.619 9.944 1.00 1.77 H new ATOM 0 HE22 GLN A 5 -16.032 1.005 11.599 1.00 1.77 H new ATOM 81 N ALA A 6 -19.005 5.950 7.673 1.00 1.86 N ATOM 82 CA ALA A 6 -20.238 6.057 6.889 1.00 1.92 C ATOM 83 C ALA A 6 -19.971 6.022 5.372 1.00 1.90 C ATOM 84 O ALA A 6 -20.572 5.213 4.657 1.00 1.92 O ATOM 85 CB ALA A 6 -20.985 7.328 7.309 1.00 1.98 C ATOM 0 H ALA A 6 -18.861 6.724 8.322 1.00 1.86 H new ATOM 0 HA ALA A 6 -20.863 5.188 7.097 1.00 1.92 H new ATOM 0 HB1 ALA A 6 -21.905 7.417 6.731 1.00 1.98 H new ATOM 0 HB2 ALA A 6 -21.227 7.274 8.370 1.00 1.98 H new ATOM 0 HB3 ALA A 6 -20.355 8.198 7.125 1.00 1.98 H new ATOM 91 N PHE A 7 -19.019 6.820 4.870 1.00 1.85 N ATOM 92 CA PHE A 7 -18.689 6.824 3.443 1.00 1.83 C ATOM 93 C PHE A 7 -17.886 5.594 2.987 1.00 1.77 C ATOM 94 O PHE A 7 -17.900 5.294 1.788 1.00 1.78 O ATOM 95 CB PHE A 7 -18.114 8.187 2.998 1.00 1.82 C ATOM 96 CG PHE A 7 -16.626 8.493 3.129 1.00 1.75 C ATOM 97 CD1 PHE A 7 -15.673 7.778 2.376 1.00 1.69 C ATOM 98 CD2 PHE A 7 -16.207 9.638 3.839 1.00 1.75 C ATOM 99 CE1 PHE A 7 -14.328 8.177 2.362 1.00 1.63 C ATOM 100 CE2 PHE A 7 -14.856 10.028 3.841 1.00 1.69 C ATOM 101 CZ PHE A 7 -13.912 9.294 3.107 1.00 1.63 C ATOM 0 H PHE A 7 -18.467 7.468 5.431 1.00 1.85 H new ATOM 0 HA PHE A 7 -19.626 6.712 2.897 1.00 1.83 H new ATOM 0 HB2 PHE A 7 -18.375 8.316 1.948 1.00 1.82 H new ATOM 0 HB3 PHE A 7 -18.648 8.956 3.556 1.00 1.82 H new ATOM 0 HD1 PHE A 7 -15.981 6.915 1.804 1.00 1.69 H new ATOM 0 HD2 PHE A 7 -16.932 10.221 4.387 1.00 1.75 H new ATOM 0 HE1 PHE A 7 -13.609 7.623 1.776 1.00 1.63 H new ATOM 0 HE2 PHE A 7 -14.545 10.893 4.408 1.00 1.69 H new ATOM 0 HZ PHE A 7 -12.872 9.585 3.114 1.00 1.63 H new ATOM 111 N LEU A 8 -17.307 4.802 3.911 1.00 1.73 N ATOM 112 CA LEU A 8 -16.707 3.528 3.481 1.00 1.69 C ATOM 113 C LEU A 8 -17.702 2.365 3.612 1.00 1.75 C ATOM 114 O LEU A 8 -17.494 1.329 2.991 1.00 1.73 O ATOM 115 CB LEU A 8 -15.408 3.265 4.269 1.00 1.63 C ATOM 116 CG LEU A 8 -14.136 3.236 3.408 1.00 1.56 C ATOM 117 CD1 LEU A 8 -14.058 1.929 2.626 1.00 1.55 C ATOM 118 CD2 LEU A 8 -13.976 4.435 2.468 1.00 1.55 C ATOM 0 H LEU A 8 -17.243 5.007 4.908 1.00 1.73 H new ATOM 0 HA LEU A 8 -16.454 3.602 2.423 1.00 1.69 H new ATOM 0 HB2 LEU A 8 -15.298 4.036 5.032 1.00 1.63 H new ATOM 0 HB3 LEU A 8 -15.501 2.312 4.790 1.00 1.63 H new ATOM 0 HG LEU A 8 -13.304 3.305 4.108 1.00 1.56 H new ATOM 0 HD11 LEU A 8 -13.152 1.921 2.020 1.00 1.55 H new ATOM 0 HD12 LEU A 8 -14.037 1.090 3.321 1.00 1.55 H new ATOM 0 HD13 LEU A 8 -14.929 1.841 1.977 1.00 1.55 H new ATOM 0 HD21 LEU A 8 -13.052 4.331 1.900 1.00 1.55 H new ATOM 0 HD22 LEU A 8 -14.822 4.474 1.781 1.00 1.55 H new ATOM 0 HD23 LEU A 8 -13.941 5.354 3.053 1.00 1.55 H new ATOM 130 N VAL A 9 -18.805 2.531 4.357 1.00 1.81 N ATOM 131 CA VAL A 9 -19.937 1.584 4.305 1.00 1.87 C ATOM 132 C VAL A 9 -20.722 1.804 3.004 1.00 1.92 C ATOM 133 O VAL A 9 -21.113 0.839 2.339 1.00 1.94 O ATOM 134 CB VAL A 9 -20.834 1.714 5.555 1.00 1.93 C ATOM 135 CG1 VAL A 9 -22.174 0.973 5.422 1.00 2.01 C ATOM 136 CG2 VAL A 9 -20.118 1.122 6.778 1.00 1.91 C ATOM 0 H VAL A 9 -18.940 3.309 5.002 1.00 1.81 H new ATOM 0 HA VAL A 9 -19.554 0.563 4.308 1.00 1.87 H new ATOM 0 HB VAL A 9 -21.030 2.780 5.667 1.00 1.93 H new ATOM 0 HG11 VAL A 9 -22.755 1.105 6.335 1.00 2.01 H new ATOM 0 HG12 VAL A 9 -22.730 1.376 4.576 1.00 2.01 H new ATOM 0 HG13 VAL A 9 -21.988 -0.089 5.261 1.00 2.01 H new ATOM 0 HG21 VAL A 9 -20.757 1.218 7.656 1.00 1.91 H new ATOM 0 HG22 VAL A 9 -19.903 0.069 6.599 1.00 1.91 H new ATOM 0 HG23 VAL A 9 -19.185 1.659 6.949 1.00 1.91 H new ATOM 146 N ALA A 10 -20.869 3.061 2.577 1.00 1.93 N ATOM 147 CA ALA A 10 -21.399 3.379 1.251 1.00 1.97 C ATOM 148 C ALA A 10 -20.497 2.843 0.122 1.00 1.92 C ATOM 149 O ALA A 10 -21.006 2.195 -0.802 1.00 1.96 O ATOM 150 CB ALA A 10 -21.596 4.897 1.150 1.00 1.99 C ATOM 0 H ALA A 10 -20.626 3.879 3.136 1.00 1.93 H new ATOM 0 HA ALA A 10 -22.360 2.881 1.124 1.00 1.97 H new ATOM 0 HB1 ALA A 10 -21.991 5.148 0.166 1.00 1.99 H new ATOM 0 HB2 ALA A 10 -22.298 5.225 1.917 1.00 1.99 H new ATOM 0 HB3 ALA A 10 -20.639 5.399 1.296 1.00 1.99 H new ATOM 156 N LEU A 11 -19.165 3.026 0.219 1.00 1.84 N ATOM 157 CA LEU A 11 -18.247 2.346 -0.702 1.00 1.80 C ATOM 158 C LEU A 11 -18.365 0.828 -0.593 1.00 1.80 C ATOM 159 O LEU A 11 -18.406 0.189 -1.632 1.00 1.82 O ATOM 160 CB LEU A 11 -16.781 2.762 -0.527 1.00 1.71 C ATOM 161 CG LEU A 11 -15.835 2.035 -1.519 1.00 1.67 C ATOM 162 CD1 LEU A 11 -16.115 2.338 -2.992 1.00 1.71 C ATOM 163 CD2 LEU A 11 -14.393 2.440 -1.256 1.00 1.59 C ATOM 0 H LEU A 11 -18.714 3.625 0.910 1.00 1.84 H new ATOM 0 HA LEU A 11 -18.557 2.664 -1.698 1.00 1.80 H new ATOM 0 HB2 LEU A 11 -16.693 3.839 -0.669 1.00 1.71 H new ATOM 0 HB3 LEU A 11 -16.465 2.548 0.494 1.00 1.71 H new ATOM 0 HG LEU A 11 -16.012 0.973 -1.348 1.00 1.67 H new ATOM 0 HD11 LEU A 11 -15.409 1.790 -3.617 1.00 1.71 H new ATOM 0 HD12 LEU A 11 -17.132 2.033 -3.239 1.00 1.71 H new ATOM 0 HD13 LEU A 11 -16.004 3.407 -3.171 1.00 1.71 H new ATOM 0 HD21 LEU A 11 -13.737 1.925 -1.957 1.00 1.59 H new ATOM 0 HD22 LEU A 11 -14.288 3.517 -1.386 1.00 1.59 H new ATOM 0 HD23 LEU A 11 -14.119 2.169 -0.236 1.00 1.59 H new ATOM 175 N TYR A 12 -18.442 0.231 0.599 1.00 1.80 N ATOM 176 CA TYR A 12 -18.579 -1.222 0.750 1.00 1.81 C ATOM 177 C TYR A 12 -19.766 -1.765 -0.050 1.00 1.89 C ATOM 178 O TYR A 12 -19.595 -2.731 -0.795 1.00 1.89 O ATOM 179 CB TYR A 12 -18.680 -1.619 2.230 1.00 1.82 C ATOM 180 CG TYR A 12 -19.147 -3.046 2.468 1.00 1.86 C ATOM 181 CD1 TYR A 12 -18.424 -4.129 1.932 1.00 1.84 C ATOM 182 CD2 TYR A 12 -20.346 -3.282 3.172 1.00 1.94 C ATOM 183 CE1 TYR A 12 -18.902 -5.446 2.087 1.00 1.89 C ATOM 184 CE2 TYR A 12 -20.821 -4.596 3.339 1.00 1.99 C ATOM 185 CZ TYR A 12 -20.102 -5.683 2.793 1.00 1.96 C ATOM 186 OH TYR A 12 -20.568 -6.954 2.936 1.00 2.02 O ATOM 0 H TYR A 12 -18.411 0.738 1.484 1.00 1.80 H new ATOM 0 HA TYR A 12 -17.677 -1.677 0.342 1.00 1.81 H new ATOM 0 HB2 TYR A 12 -17.704 -1.487 2.696 1.00 1.82 H new ATOM 0 HB3 TYR A 12 -19.367 -0.937 2.730 1.00 1.82 H new ATOM 0 HD1 TYR A 12 -17.501 -3.950 1.401 1.00 1.84 H new ATOM 0 HD2 TYR A 12 -20.901 -2.452 3.584 1.00 1.94 H new ATOM 0 HE1 TYR A 12 -18.351 -6.274 1.666 1.00 1.89 H new ATOM 0 HE2 TYR A 12 -21.736 -4.774 3.885 1.00 1.99 H new ATOM 0 HH TYR A 12 -21.403 -6.940 3.449 1.00 2.02 H new ATOM 196 N LYS A 13 -20.930 -1.101 0.019 1.00 1.95 N ATOM 197 CA LYS A 13 -22.066 -1.443 -0.848 1.00 2.03 C ATOM 198 C LYS A 13 -21.718 -1.268 -2.328 1.00 2.02 C ATOM 199 O LYS A 13 -21.810 -2.251 -3.072 1.00 2.05 O ATOM 200 CB LYS A 13 -23.310 -0.650 -0.412 1.00 2.10 C ATOM 201 CG LYS A 13 -24.570 -1.093 -1.174 1.00 2.18 C ATOM 202 CD LYS A 13 -25.835 -0.331 -0.743 1.00 2.25 C ATOM 203 CE LYS A 13 -26.243 -0.644 0.704 1.00 2.27 C ATOM 204 NZ LYS A 13 -27.514 0.035 1.072 1.00 2.34 N ATOM 0 H LYS A 13 -21.108 -0.329 0.662 1.00 1.95 H new ATOM 0 HA LYS A 13 -22.301 -2.501 -0.733 1.00 2.03 H new ATOM 0 HB2 LYS A 13 -23.468 -0.782 0.658 1.00 2.10 H new ATOM 0 HB3 LYS A 13 -23.140 0.413 -0.580 1.00 2.10 H new ATOM 0 HG2 LYS A 13 -24.411 -0.947 -2.242 1.00 2.18 H new ATOM 0 HG3 LYS A 13 -24.725 -2.161 -1.018 1.00 2.18 H new ATOM 0 HD2 LYS A 13 -25.663 0.740 -0.845 1.00 2.25 H new ATOM 0 HD3 LYS A 13 -26.656 -0.587 -1.413 1.00 2.25 H new ATOM 0 HE2 LYS A 13 -26.356 -1.721 0.826 1.00 2.27 H new ATOM 0 HE3 LYS A 13 -25.451 -0.328 1.383 1.00 2.27 H new ATOM 0 HZ1 LYS A 13 -27.760 -0.198 2.055 1.00 2.34 H new ATOM 0 HZ2 LYS A 13 -27.397 1.064 0.979 1.00 2.34 H new ATOM 0 HZ3 LYS A 13 -28.275 -0.286 0.440 1.00 2.34 H new ATOM 218 N TYR A 14 -21.265 -0.087 -2.768 1.00 2.00 N ATOM 219 CA TYR A 14 -20.885 0.079 -4.178 1.00 2.00 C ATOM 220 C TYR A 14 -19.813 -0.896 -4.700 1.00 1.95 C ATOM 221 O TYR A 14 -19.948 -1.410 -5.808 1.00 1.99 O ATOM 222 CB TYR A 14 -20.436 1.535 -4.373 1.00 1.98 C ATOM 223 CG TYR A 14 -20.287 1.947 -5.826 1.00 2.01 C ATOM 224 CD1 TYR A 14 -21.433 2.284 -6.572 1.00 2.10 C ATOM 225 CD2 TYR A 14 -19.015 1.984 -6.432 1.00 1.96 C ATOM 226 CE1 TYR A 14 -21.312 2.655 -7.925 1.00 2.14 C ATOM 227 CE2 TYR A 14 -18.892 2.348 -7.788 1.00 1.99 C ATOM 228 CZ TYR A 14 -20.042 2.683 -8.537 1.00 2.09 C ATOM 229 OH TYR A 14 -19.921 2.999 -9.856 1.00 2.13 O ATOM 0 H TYR A 14 -21.154 0.745 -2.189 1.00 2.00 H new ATOM 0 HA TYR A 14 -21.765 -0.164 -4.773 1.00 2.00 H new ATOM 0 HB2 TYR A 14 -21.158 2.194 -3.892 1.00 1.98 H new ATOM 0 HB3 TYR A 14 -19.483 1.681 -3.865 1.00 1.98 H new ATOM 0 HD1 TYR A 14 -22.407 2.258 -6.105 1.00 2.10 H new ATOM 0 HD2 TYR A 14 -18.135 1.734 -5.858 1.00 1.96 H new ATOM 0 HE1 TYR A 14 -22.192 2.918 -8.494 1.00 2.14 H new ATOM 0 HE2 TYR A 14 -17.918 2.371 -8.255 1.00 1.99 H new ATOM 0 HH TYR A 14 -18.976 2.972 -10.114 1.00 2.13 H new ATOM 239 N MET A 15 -18.771 -1.198 -3.920 1.00 1.88 N ATOM 240 CA MET A 15 -17.687 -2.083 -4.340 1.00 1.83 C ATOM 241 C MET A 15 -18.109 -3.559 -4.306 1.00 1.86 C ATOM 242 O MET A 15 -17.684 -4.328 -5.171 1.00 1.86 O ATOM 243 CB MET A 15 -16.376 -1.772 -3.609 1.00 1.74 C ATOM 244 CG MET A 15 -16.297 -2.238 -2.157 1.00 1.72 C ATOM 245 SD MET A 15 -14.896 -1.567 -1.211 1.00 1.62 S ATOM 246 CE MET A 15 -13.495 -1.896 -2.318 1.00 1.57 C ATOM 0 H MET A 15 -18.658 -0.832 -2.975 1.00 1.88 H new ATOM 0 HA MET A 15 -17.472 -1.879 -5.389 1.00 1.83 H new ATOM 0 HB2 MET A 15 -15.556 -2.230 -4.163 1.00 1.74 H new ATOM 0 HB3 MET A 15 -16.215 -0.694 -3.634 1.00 1.74 H new ATOM 0 HG2 MET A 15 -17.223 -1.963 -1.652 1.00 1.72 H new ATOM 0 HG3 MET A 15 -16.238 -3.326 -2.143 1.00 1.72 H new ATOM 0 HE1 MET A 15 -12.811 -2.597 -1.840 1.00 1.57 H new ATOM 0 HE2 MET A 15 -13.861 -2.325 -3.251 1.00 1.57 H new ATOM 0 HE3 MET A 15 -12.971 -0.964 -2.528 1.00 1.57 H new ATOM 256 N LYS A 16 -19.021 -3.962 -3.402 1.00 1.90 N ATOM 257 CA LYS A 16 -19.661 -5.286 -3.474 1.00 1.96 C ATOM 258 C LYS A 16 -20.521 -5.420 -4.740 1.00 2.03 C ATOM 259 O LYS A 16 -20.457 -6.443 -5.417 1.00 2.05 O ATOM 260 CB LYS A 16 -20.452 -5.536 -2.180 1.00 1.99 C ATOM 261 CG LYS A 16 -21.018 -6.961 -2.109 1.00 2.05 C ATOM 262 CD LYS A 16 -21.329 -7.353 -0.659 1.00 2.07 C ATOM 263 CE LYS A 16 -21.941 -8.757 -0.609 1.00 2.13 C ATOM 264 NZ LYS A 16 -21.933 -9.295 0.772 1.00 2.15 N ATOM 0 H LYS A 16 -19.330 -3.390 -2.616 1.00 1.90 H new ATOM 0 HA LYS A 16 -18.898 -6.060 -3.554 1.00 1.96 H new ATOM 0 HB2 LYS A 16 -19.804 -5.362 -1.321 1.00 1.99 H new ATOM 0 HB3 LYS A 16 -21.270 -4.819 -2.113 1.00 1.99 H new ATOM 0 HG2 LYS A 16 -21.925 -7.027 -2.711 1.00 2.05 H new ATOM 0 HG3 LYS A 16 -20.301 -7.663 -2.534 1.00 2.05 H new ATOM 0 HD2 LYS A 16 -20.416 -7.325 -0.063 1.00 2.07 H new ATOM 0 HD3 LYS A 16 -22.019 -6.632 -0.220 1.00 2.07 H new ATOM 0 HE2 LYS A 16 -22.964 -8.724 -0.984 1.00 2.13 H new ATOM 0 HE3 LYS A 16 -21.382 -9.424 -1.265 1.00 2.13 H new ATOM 0 HZ1 LYS A 16 -22.486 -10.175 0.805 1.00 2.15 H new ATOM 0 HZ2 LYS A 16 -20.954 -9.491 1.063 1.00 2.15 H new ATOM 0 HZ3 LYS A 16 -22.353 -8.597 1.419 1.00 2.15 H new ATOM 278 N GLU A 17 -21.208 -4.344 -5.134 1.00 2.07 N ATOM 279 CA GLU A 17 -21.887 -4.261 -6.446 1.00 2.13 C ATOM 280 C GLU A 17 -20.908 -4.126 -7.649 1.00 2.10 C ATOM 281 O GLU A 17 -21.340 -4.072 -8.803 1.00 2.16 O ATOM 282 CB GLU A 17 -22.903 -3.102 -6.385 1.00 2.18 C ATOM 283 CG GLU A 17 -24.035 -3.207 -7.416 1.00 2.27 C ATOM 284 CD GLU A 17 -25.113 -2.135 -7.164 1.00 2.33 C ATOM 285 OE1 GLU A 17 -25.006 -1.014 -7.719 1.00 2.34 O ATOM 286 OE2 GLU A 17 -26.087 -2.408 -6.421 1.00 2.37 O ATOM 0 H GLU A 17 -21.314 -3.506 -4.562 1.00 2.07 H new ATOM 0 HA GLU A 17 -22.404 -5.203 -6.631 1.00 2.13 H new ATOM 0 HB2 GLU A 17 -23.338 -3.066 -5.386 1.00 2.18 H new ATOM 0 HB3 GLU A 17 -22.374 -2.161 -6.536 1.00 2.18 H new ATOM 0 HG2 GLU A 17 -23.629 -3.090 -8.421 1.00 2.27 H new ATOM 0 HG3 GLU A 17 -24.485 -4.199 -7.368 1.00 2.27 H new ATOM 293 N ARG A 18 -19.590 -4.095 -7.389 1.00 2.02 N ATOM 294 CA ARG A 18 -18.547 -4.095 -8.442 1.00 1.99 C ATOM 295 C ARG A 18 -17.615 -5.321 -8.348 1.00 1.95 C ATOM 296 O ARG A 18 -16.507 -5.308 -8.886 1.00 1.90 O ATOM 297 CB ARG A 18 -17.805 -2.732 -8.471 1.00 1.94 C ATOM 298 CG ARG A 18 -18.439 -1.711 -9.432 1.00 2.01 C ATOM 299 CD ARG A 18 -19.697 -1.022 -8.890 1.00 2.06 C ATOM 300 NE ARG A 18 -20.391 -0.268 -9.949 1.00 2.13 N ATOM 301 CZ ARG A 18 -21.359 -0.707 -10.736 1.00 2.22 C ATOM 302 NH1 ARG A 18 -21.842 -1.916 -10.661 1.00 2.24 N ATOM 303 NH2 ARG A 18 -21.865 0.080 -11.642 1.00 2.28 N ATOM 0 H ARG A 18 -19.212 -4.069 -6.442 1.00 2.02 H new ATOM 0 HA ARG A 18 -19.034 -4.203 -9.411 1.00 1.99 H new ATOM 0 HB2 ARG A 18 -17.791 -2.313 -7.465 1.00 1.94 H new ATOM 0 HB3 ARG A 18 -16.768 -2.898 -8.762 1.00 1.94 H new ATOM 0 HG2 ARG A 18 -17.698 -0.949 -9.672 1.00 2.01 H new ATOM 0 HG3 ARG A 18 -18.690 -2.216 -10.364 1.00 2.01 H new ATOM 0 HD2 ARG A 18 -20.371 -1.769 -8.470 1.00 2.06 H new ATOM 0 HD3 ARG A 18 -19.424 -0.347 -8.079 1.00 2.06 H new ATOM 0 HE ARG A 18 -20.092 0.697 -10.090 1.00 2.13 H new ATOM 0 HH11 ARG A 18 -21.472 -2.571 -9.972 1.00 2.24 H new ATOM 0 HH12 ARG A 18 -22.589 -2.207 -11.291 1.00 2.24 H new ATOM 0 HH21 ARG A 18 -21.515 1.033 -11.743 1.00 2.28 H new ATOM 0 HH22 ARG A 18 -22.612 -0.256 -12.250 1.00 2.28 H new ATOM 317 N LYS A 19 -18.067 -6.399 -7.683 1.00 1.97 N ATOM 318 CA LYS A 19 -17.386 -7.706 -7.536 1.00 1.95 C ATOM 319 C LYS A 19 -16.061 -7.588 -6.775 1.00 1.86 C ATOM 320 O LYS A 19 -15.184 -8.453 -6.875 1.00 1.84 O ATOM 321 CB LYS A 19 -17.256 -8.422 -8.901 1.00 1.99 C ATOM 322 CG LYS A 19 -18.605 -8.596 -9.620 1.00 2.09 C ATOM 323 CD LYS A 19 -18.431 -9.332 -10.955 1.00 2.13 C ATOM 324 CE LYS A 19 -19.783 -9.456 -11.670 1.00 2.22 C ATOM 325 NZ LYS A 19 -19.649 -10.142 -12.981 1.00 2.27 N ATOM 0 H LYS A 19 -18.968 -6.385 -7.205 1.00 1.97 H new ATOM 0 HA LYS A 19 -18.014 -8.344 -6.913 1.00 1.95 H new ATOM 0 HB2 LYS A 19 -16.581 -7.853 -9.540 1.00 1.99 H new ATOM 0 HB3 LYS A 19 -16.802 -9.401 -8.749 1.00 1.99 H new ATOM 0 HG2 LYS A 19 -19.291 -9.152 -8.982 1.00 2.09 H new ATOM 0 HG3 LYS A 19 -19.055 -7.619 -9.796 1.00 2.09 H new ATOM 0 HD2 LYS A 19 -17.725 -8.793 -11.587 1.00 2.13 H new ATOM 0 HD3 LYS A 19 -18.011 -10.323 -10.781 1.00 2.13 H new ATOM 0 HE2 LYS A 19 -20.479 -10.009 -11.039 1.00 2.22 H new ATOM 0 HE3 LYS A 19 -20.208 -8.464 -11.820 1.00 2.22 H new ATOM 0 HZ1 LYS A 19 -20.582 -10.208 -13.435 1.00 2.27 H new ATOM 0 HZ2 LYS A 19 -19.004 -9.601 -13.592 1.00 2.27 H new ATOM 0 HZ3 LYS A 19 -19.267 -11.098 -12.835 1.00 2.27 H new ATOM 339 N THR A 20 -15.945 -6.520 -5.981 1.00 1.82 N ATOM 340 CA THR A 20 -14.722 -6.206 -5.245 1.00 1.73 C ATOM 341 C THR A 20 -15.045 -5.784 -3.798 1.00 1.72 C ATOM 342 O THR A 20 -14.690 -4.680 -3.396 1.00 1.68 O ATOM 343 CB THR A 20 -13.868 -5.152 -5.998 1.00 1.69 C ATOM 344 OG1 THR A 20 -13.764 -5.461 -7.374 1.00 1.72 O ATOM 345 CG2 THR A 20 -12.421 -5.080 -5.499 1.00 1.61 C ATOM 0 H THR A 20 -16.699 -5.849 -5.832 1.00 1.82 H new ATOM 0 HA THR A 20 -14.115 -7.109 -5.184 1.00 1.73 H new ATOM 0 HB THR A 20 -14.386 -4.210 -5.819 1.00 1.69 H new ATOM 0 HG1 THR A 20 -14.636 -5.336 -7.804 1.00 1.72 H new ATOM 0 HG21 THR A 20 -11.878 -4.324 -6.066 1.00 1.61 H new ATOM 0 HG22 THR A 20 -12.413 -4.815 -4.442 1.00 1.61 H new ATOM 0 HG23 THR A 20 -11.941 -6.049 -5.634 1.00 1.61 H new ATOM 353 N PRO A 21 -15.770 -6.598 -3.003 1.00 1.76 N ATOM 354 CA PRO A 21 -16.137 -6.250 -1.625 1.00 1.76 C ATOM 355 C PRO A 21 -14.918 -6.168 -0.688 1.00 1.69 C ATOM 356 O PRO A 21 -13.892 -6.803 -0.927 1.00 1.66 O ATOM 357 CB PRO A 21 -17.098 -7.359 -1.181 1.00 1.84 C ATOM 358 CG PRO A 21 -16.639 -8.571 -1.986 1.00 1.85 C ATOM 359 CD PRO A 21 -16.238 -7.944 -3.318 1.00 1.82 C ATOM 0 HA PRO A 21 -16.590 -5.260 -1.581 1.00 1.76 H new ATOM 0 HB2 PRO A 21 -17.032 -7.541 -0.108 1.00 1.84 H new ATOM 0 HB3 PRO A 21 -18.135 -7.102 -1.398 1.00 1.84 H new ATOM 0 HG2 PRO A 21 -15.803 -9.083 -1.509 1.00 1.85 H new ATOM 0 HG3 PRO A 21 -17.436 -9.305 -2.106 1.00 1.85 H new ATOM 0 HD2 PRO A 21 -15.455 -8.526 -3.803 1.00 1.82 H new ATOM 0 HD3 PRO A 21 -17.084 -7.912 -4.005 1.00 1.82 H new ATOM 367 N ILE A 22 -15.066 -5.479 0.449 1.00 1.68 N ATOM 368 CA ILE A 22 -14.060 -5.525 1.542 1.00 1.64 C ATOM 369 C ILE A 22 -13.874 -6.971 2.071 1.00 1.67 C ATOM 370 O ILE A 22 -12.816 -7.340 2.572 1.00 1.64 O ATOM 371 CB ILE A 22 -14.440 -4.490 2.637 1.00 1.64 C ATOM 372 CG1 ILE A 22 -14.368 -3.071 2.038 1.00 1.61 C ATOM 373 CG2 ILE A 22 -13.537 -4.597 3.881 1.00 1.61 C ATOM 374 CD1 ILE A 22 -14.796 -1.940 2.981 1.00 1.62 C ATOM 0 H ILE A 22 -15.868 -4.881 0.646 1.00 1.68 H new ATOM 0 HA ILE A 22 -13.080 -5.237 1.162 1.00 1.64 H new ATOM 0 HB ILE A 22 -15.456 -4.704 2.968 1.00 1.64 H new ATOM 0 HG12 ILE A 22 -13.345 -2.883 1.713 1.00 1.61 H new ATOM 0 HG13 ILE A 22 -14.997 -3.038 1.148 1.00 1.61 H new ATOM 0 HG21 ILE A 22 -13.842 -3.853 4.617 1.00 1.61 H new ATOM 0 HG22 ILE A 22 -13.629 -5.594 4.313 1.00 1.61 H new ATOM 0 HG23 ILE A 22 -12.500 -4.420 3.594 1.00 1.61 H new ATOM 0 HD11 ILE A 22 -14.709 -0.984 2.465 1.00 1.62 H new ATOM 0 HD12 ILE A 22 -15.830 -2.094 3.288 1.00 1.62 H new ATOM 0 HD13 ILE A 22 -14.153 -1.937 3.861 1.00 1.62 H new ATOM 386 N GLU A 23 -14.892 -7.810 1.849 1.00 1.74 N ATOM 387 CA GLU A 23 -14.798 -9.269 2.054 1.00 1.78 C ATOM 388 C GLU A 23 -13.636 -9.974 1.297 1.00 1.75 C ATOM 389 O GLU A 23 -13.308 -11.113 1.640 1.00 1.78 O ATOM 390 CB GLU A 23 -16.139 -9.949 1.730 1.00 1.87 C ATOM 391 CG GLU A 23 -17.287 -9.457 2.620 1.00 1.91 C ATOM 392 CD GLU A 23 -18.570 -10.266 2.357 1.00 2.00 C ATOM 393 OE1 GLU A 23 -19.316 -9.928 1.408 1.00 2.02 O ATOM 394 OE2 GLU A 23 -18.844 -11.243 3.097 1.00 2.06 O ATOM 0 H GLU A 23 -15.807 -7.501 1.522 1.00 1.74 H new ATOM 0 HA GLU A 23 -14.560 -9.387 3.111 1.00 1.78 H new ATOM 0 HB2 GLU A 23 -16.391 -9.765 0.686 1.00 1.87 H new ATOM 0 HB3 GLU A 23 -16.032 -11.027 1.847 1.00 1.87 H new ATOM 0 HG2 GLU A 23 -17.004 -9.547 3.669 1.00 1.91 H new ATOM 0 HG3 GLU A 23 -17.473 -8.400 2.430 1.00 1.91 H new ATOM 401 N ARG A 24 -12.963 -9.316 0.328 1.00 1.69 N ATOM 402 CA ARG A 24 -11.716 -9.791 -0.327 1.00 1.65 C ATOM 403 C ARG A 24 -10.471 -8.932 -0.015 1.00 1.57 C ATOM 404 O ARG A 24 -9.426 -9.103 -0.646 1.00 1.53 O ATOM 405 CB ARG A 24 -11.951 -10.038 -1.836 1.00 1.67 C ATOM 406 CG ARG A 24 -11.782 -8.815 -2.761 1.00 1.62 C ATOM 407 CD ARG A 24 -12.318 -9.074 -4.179 1.00 1.67 C ATOM 408 NE ARG A 24 -11.555 -10.112 -4.896 1.00 1.67 N ATOM 409 CZ ARG A 24 -11.816 -10.603 -6.099 1.00 1.72 C ATOM 410 NH1 ARG A 24 -12.831 -10.216 -6.821 1.00 1.77 N ATOM 411 NH2 ARG A 24 -11.038 -11.512 -6.609 1.00 1.72 N ATOM 0 H ARG A 24 -13.277 -8.415 -0.033 1.00 1.69 H new ATOM 0 HA ARG A 24 -11.468 -10.754 0.120 1.00 1.65 H new ATOM 0 HB2 ARG A 24 -11.263 -10.816 -2.167 1.00 1.67 H new ATOM 0 HB3 ARG A 24 -12.960 -10.429 -1.966 1.00 1.67 H new ATOM 0 HG2 ARG A 24 -12.304 -7.961 -2.329 1.00 1.62 H new ATOM 0 HG3 ARG A 24 -10.727 -8.549 -2.817 1.00 1.62 H new ATOM 0 HD2 ARG A 24 -13.364 -9.375 -4.118 1.00 1.67 H new ATOM 0 HD3 ARG A 24 -12.286 -8.146 -4.750 1.00 1.67 H new ATOM 0 HE ARG A 24 -10.740 -10.493 -4.415 1.00 1.67 H new ATOM 0 HH11 ARG A 24 -13.468 -9.503 -6.465 1.00 1.77 H new ATOM 0 HH12 ARG A 24 -12.988 -10.626 -7.742 1.00 1.77 H new ATOM 0 HH21 ARG A 24 -10.230 -11.845 -6.083 1.00 1.72 H new ATOM 0 HH22 ARG A 24 -11.236 -11.892 -7.535 1.00 1.72 H new ATOM 425 N ILE A 25 -10.566 -8.036 0.972 1.00 1.55 N ATOM 426 CA ILE A 25 -9.535 -7.077 1.408 1.00 1.48 C ATOM 427 C ILE A 25 -9.356 -7.211 2.942 1.00 1.49 C ATOM 428 O ILE A 25 -9.869 -6.394 3.713 1.00 1.50 O ATOM 429 CB ILE A 25 -9.888 -5.629 0.965 1.00 1.45 C ATOM 430 CG1 ILE A 25 -10.365 -5.531 -0.505 1.00 1.46 C ATOM 431 CG2 ILE A 25 -8.637 -4.750 1.165 1.00 1.37 C ATOM 432 CD1 ILE A 25 -10.809 -4.124 -0.925 1.00 1.45 C ATOM 0 H ILE A 25 -11.418 -7.952 1.526 1.00 1.55 H new ATOM 0 HA ILE A 25 -8.583 -7.305 0.928 1.00 1.48 H new ATOM 0 HB ILE A 25 -10.723 -5.288 1.577 1.00 1.45 H new ATOM 0 HG12 ILE A 25 -9.557 -5.857 -1.161 1.00 1.46 H new ATOM 0 HG13 ILE A 25 -11.195 -6.222 -0.654 1.00 1.46 H new ATOM 0 HG21 ILE A 25 -8.859 -3.727 0.861 1.00 1.37 H new ATOM 0 HG22 ILE A 25 -8.348 -4.762 2.216 1.00 1.37 H new ATOM 0 HG23 ILE A 25 -7.818 -5.139 0.560 1.00 1.37 H new ATOM 0 HD11 ILE A 25 -11.128 -4.139 -1.967 1.00 1.45 H new ATOM 0 HD12 ILE A 25 -11.639 -3.801 -0.296 1.00 1.45 H new ATOM 0 HD13 ILE A 25 -9.976 -3.430 -0.811 1.00 1.45 H new ATOM 444 N PRO A 26 -8.804 -8.344 3.419 1.00 1.53 N ATOM 445 CA PRO A 26 -8.767 -8.649 4.858 1.00 1.57 C ATOM 446 C PRO A 26 -7.893 -7.796 5.782 1.00 1.52 C ATOM 447 O PRO A 26 -8.384 -7.363 6.826 1.00 1.50 O ATOM 448 CB PRO A 26 -8.352 -10.119 4.908 1.00 1.62 C ATOM 449 CG PRO A 26 -7.663 -10.395 3.618 1.00 1.59 C ATOM 450 CD PRO A 26 -8.186 -9.405 2.612 1.00 1.55 C ATOM 0 HA PRO A 26 -9.748 -8.412 5.269 1.00 1.57 H new ATOM 0 HB2 PRO A 26 -7.690 -10.309 5.753 1.00 1.62 H new ATOM 0 HB3 PRO A 26 -9.221 -10.766 5.033 1.00 1.62 H new ATOM 0 HG2 PRO A 26 -6.583 -10.296 3.730 1.00 1.59 H new ATOM 0 HG3 PRO A 26 -7.857 -11.416 3.289 1.00 1.59 H new ATOM 0 HD2 PRO A 26 -7.383 -9.012 1.989 1.00 1.55 H new ATOM 0 HD3 PRO A 26 -8.912 -9.867 1.942 1.00 1.55 H new ATOM 458 N TYR A 27 -6.632 -7.539 5.457 1.00 1.52 N ATOM 459 CA TYR A 27 -5.804 -6.790 6.411 1.00 1.49 C ATOM 460 C TYR A 27 -5.024 -5.615 5.810 1.00 1.38 C ATOM 461 O TYR A 27 -5.123 -5.289 4.627 1.00 1.34 O ATOM 462 CB TYR A 27 -4.797 -7.732 7.102 1.00 1.61 C ATOM 463 CG TYR A 27 -5.254 -9.173 7.279 1.00 1.65 C ATOM 464 CD1 TYR A 27 -5.103 -10.104 6.254 1.00 1.76 C ATOM 465 CD2 TYR A 27 -5.818 -9.607 8.475 1.00 1.91 C ATOM 466 CE1 TYR A 27 -5.506 -11.419 6.418 1.00 2.09 C ATOM 467 CE2 TYR A 27 -6.219 -10.919 8.644 1.00 2.21 C ATOM 468 CZ TYR A 27 -6.062 -11.820 7.615 1.00 2.29 C ATOM 469 OH TYR A 27 -6.462 -13.125 7.785 1.00 2.75 O ATOM 0 H TYR A 27 -6.173 -7.818 4.590 1.00 1.52 H new ATOM 0 HA TYR A 27 -6.517 -6.367 7.119 1.00 1.49 H new ATOM 0 HB2 TYR A 27 -3.873 -7.732 6.525 1.00 1.61 H new ATOM 0 HB3 TYR A 27 -4.560 -7.322 8.084 1.00 1.61 H new ATOM 0 HD1 TYR A 27 -4.665 -9.796 5.316 1.00 1.76 H new ATOM 0 HD2 TYR A 27 -5.945 -8.906 9.286 1.00 1.91 H new ATOM 0 HE1 TYR A 27 -5.385 -12.128 5.612 1.00 2.09 H new ATOM 0 HE2 TYR A 27 -6.654 -11.236 9.580 1.00 2.21 H new ATOM 0 HH TYR A 27 -6.831 -13.239 8.686 1.00 2.75 H new ATOM 479 N LEU A 28 -4.252 -5.004 6.713 1.00 1.39 N ATOM 480 CA LEU A 28 -3.341 -3.886 6.451 1.00 1.35 C ATOM 481 C LEU A 28 -1.928 -4.428 6.635 1.00 1.35 C ATOM 482 O LEU A 28 -1.782 -5.496 7.235 1.00 1.38 O ATOM 483 CB LEU A 28 -3.600 -2.737 7.426 1.00 1.42 C ATOM 484 CG LEU A 28 -2.693 -1.523 7.288 1.00 1.37 C ATOM 485 CD1 LEU A 28 -3.177 -0.615 6.173 1.00 1.58 C ATOM 486 CD2 LEU A 28 -2.624 -0.776 8.604 1.00 1.77 C ATOM 0 H LEU A 28 -4.245 -5.289 7.692 1.00 1.39 H new ATOM 0 HA LEU A 28 -3.487 -3.492 5.445 1.00 1.35 H new ATOM 0 HB2 LEU A 28 -4.632 -2.409 7.303 1.00 1.42 H new ATOM 0 HB3 LEU A 28 -3.506 -3.121 8.442 1.00 1.42 H new ATOM 0 HG LEU A 28 -1.690 -1.862 7.029 1.00 1.37 H new ATOM 0 HD11 LEU A 28 -2.514 0.247 6.092 1.00 1.58 H new ATOM 0 HD12 LEU A 28 -3.176 -1.163 5.231 1.00 1.58 H new ATOM 0 HD13 LEU A 28 -4.189 -0.275 6.394 1.00 1.58 H new ATOM 0 HD21 LEU A 28 -1.973 0.091 8.496 1.00 1.77 H new ATOM 0 HD22 LEU A 28 -3.623 -0.446 8.888 1.00 1.77 H new ATOM 0 HD23 LEU A 28 -2.226 -1.435 9.376 1.00 1.77 H new ATOM 583 N ASN A 34 -8.518 -0.913 8.817 1.00 1.56 N ATOM 584 CA ASN A 34 -8.622 0.468 9.340 1.00 1.58 C ATOM 585 C ASN A 34 -8.434 1.517 8.229 1.00 1.57 C ATOM 586 O ASN A 34 -7.362 2.112 8.091 1.00 1.91 O ATOM 587 CB ASN A 34 -7.610 0.688 10.469 1.00 1.60 C ATOM 588 CG ASN A 34 -7.888 -0.196 11.671 1.00 1.73 C ATOM 589 OD1 ASN A 34 -8.719 0.132 12.519 1.00 2.14 O ATOM 590 ND2 ASN A 34 -7.186 -1.321 11.755 1.00 2.10 N ATOM 0 HA ASN A 34 -9.628 0.595 9.739 1.00 1.58 H new ATOM 0 HB2 ASN A 34 -6.605 0.487 10.098 1.00 1.60 H new ATOM 0 HB3 ASN A 34 -7.633 1.734 10.776 1.00 1.60 H new ATOM 0 HD21 ASN A 34 -7.326 -1.951 12.545 1.00 2.10 H new ATOM 0 HD22 ASN A 34 -6.508 -1.554 11.030 1.00 2.10 H new ATOM 597 N LEU A 35 -9.495 1.739 7.454 1.00 1.38 N ATOM 598 CA LEU A 35 -9.460 2.661 6.315 1.00 1.34 C ATOM 599 C LEU A 35 -9.188 4.112 6.711 1.00 1.32 C ATOM 600 O LEU A 35 -8.216 4.705 6.247 1.00 1.28 O ATOM 601 CB LEU A 35 -10.781 2.577 5.545 1.00 1.40 C ATOM 602 CG LEU A 35 -10.714 2.959 4.057 1.00 1.43 C ATOM 603 CD1 LEU A 35 -10.689 4.466 3.889 1.00 1.47 C ATOM 604 CD2 LEU A 35 -9.498 2.340 3.386 1.00 1.52 C ATOM 0 H LEU A 35 -10.399 1.289 7.595 1.00 1.38 H new ATOM 0 HA LEU A 35 -8.626 2.348 5.687 1.00 1.34 H new ATOM 0 HB2 LEU A 35 -11.161 1.558 5.622 1.00 1.40 H new ATOM 0 HB3 LEU A 35 -11.507 3.226 6.035 1.00 1.40 H new ATOM 0 HG LEU A 35 -11.610 2.567 3.575 1.00 1.43 H new ATOM 0 HD11 LEU A 35 -10.642 4.713 2.828 1.00 1.47 H new ATOM 0 HD12 LEU A 35 -11.593 4.895 4.322 1.00 1.47 H new ATOM 0 HD13 LEU A 35 -9.815 4.874 4.396 1.00 1.47 H new ATOM 0 HD21 LEU A 35 -9.477 2.627 2.335 1.00 1.52 H new ATOM 0 HD22 LEU A 35 -8.592 2.694 3.877 1.00 1.52 H new ATOM 0 HD23 LEU A 35 -9.553 1.254 3.464 1.00 1.52 H new ATOM 616 N TRP A 36 -10.064 4.680 7.540 1.00 1.37 N ATOM 617 CA TRP A 36 -9.935 6.073 7.975 1.00 1.37 C ATOM 618 C TRP A 36 -8.527 6.389 8.510 1.00 1.32 C ATOM 619 O TRP A 36 -8.069 7.527 8.408 1.00 1.31 O ATOM 620 CB TRP A 36 -10.990 6.414 9.041 1.00 1.45 C ATOM 621 CG TRP A 36 -11.150 5.368 10.106 1.00 1.50 C ATOM 622 CD1 TRP A 36 -11.801 4.173 9.989 1.00 1.55 C ATOM 623 CD2 TRP A 36 -10.670 5.431 11.455 1.00 1.53 C ATOM 624 NE1 TRP A 36 -11.736 3.481 11.172 1.00 1.61 N ATOM 625 CE2 TRP A 36 -11.051 4.233 12.090 1.00 1.60 C ATOM 626 CE3 TRP A 36 -9.949 6.380 12.187 1.00 1.54 C ATOM 627 CZ2 TRP A 36 -10.736 3.962 13.419 1.00 1.66 C ATOM 628 CZ3 TRP A 36 -9.638 6.109 13.507 1.00 1.61 C ATOM 629 CH2 TRP A 36 -10.031 4.907 14.110 1.00 1.66 C ATOM 0 H TRP A 36 -10.874 4.195 7.926 1.00 1.37 H new ATOM 0 HA TRP A 36 -10.102 6.693 7.094 1.00 1.37 H new ATOM 0 HB2 TRP A 36 -10.721 7.359 9.513 1.00 1.45 H new ATOM 0 HB3 TRP A 36 -11.951 6.566 8.549 1.00 1.45 H new ATOM 0 HD1 TRP A 36 -12.295 3.823 9.095 1.00 1.55 H new ATOM 0 HE1 TRP A 36 -12.133 2.557 11.341 1.00 1.61 H new ATOM 0 HE3 TRP A 36 -9.640 7.308 11.729 1.00 1.54 H new ATOM 0 HZ2 TRP A 36 -11.038 3.037 13.887 1.00 1.66 H new ATOM 0 HZ3 TRP A 36 -9.083 6.836 14.082 1.00 1.61 H new ATOM 0 HH2 TRP A 36 -9.771 4.723 15.142 1.00 1.66 H new ATOM 640 N THR A 37 -7.846 5.385 9.079 1.00 1.32 N ATOM 641 CA THR A 37 -6.491 5.576 9.635 1.00 1.29 C ATOM 642 C THR A 37 -5.420 5.681 8.546 1.00 1.23 C ATOM 643 O THR A 37 -4.648 6.638 8.567 1.00 1.21 O ATOM 644 CB THR A 37 -6.120 4.451 10.617 1.00 1.34 C ATOM 645 OG1 THR A 37 -7.037 4.425 11.689 1.00 1.41 O ATOM 646 CG2 THR A 37 -4.740 4.635 11.253 1.00 1.35 C ATOM 0 H THR A 37 -8.206 4.435 9.168 1.00 1.32 H new ATOM 0 HA THR A 37 -6.519 6.524 10.173 1.00 1.29 H new ATOM 0 HB THR A 37 -6.132 3.535 10.026 1.00 1.34 H new ATOM 0 HG1 THR A 37 -7.694 5.144 11.575 1.00 1.41 H new ATOM 0 HG21 THR A 37 -4.540 3.808 11.934 1.00 1.35 H new ATOM 0 HG22 THR A 37 -3.979 4.654 10.473 1.00 1.35 H new ATOM 0 HG23 THR A 37 -4.716 5.574 11.806 1.00 1.35 H new ATOM 654 N MET A 38 -5.367 4.769 7.564 1.00 1.20 N ATOM 655 CA MET A 38 -4.423 4.924 6.436 1.00 1.15 C ATOM 656 C MET A 38 -4.719 6.184 5.600 1.00 1.13 C ATOM 657 O MET A 38 -3.798 6.803 5.072 1.00 1.11 O ATOM 658 CB MET A 38 -4.326 3.669 5.550 1.00 1.14 C ATOM 659 CG MET A 38 -5.639 3.233 4.896 1.00 1.17 C ATOM 660 SD MET A 38 -5.434 2.270 3.373 1.00 1.17 S ATOM 661 CE MET A 38 -6.347 0.756 3.772 1.00 1.25 C ATOM 0 H MET A 38 -5.950 3.933 7.522 1.00 1.20 H new ATOM 0 HA MET A 38 -3.441 5.055 6.891 1.00 1.15 H new ATOM 0 HB2 MET A 38 -3.591 3.853 4.766 1.00 1.14 H new ATOM 0 HB3 MET A 38 -3.948 2.845 6.155 1.00 1.14 H new ATOM 0 HG2 MET A 38 -6.208 2.640 5.612 1.00 1.17 H new ATOM 0 HG3 MET A 38 -6.232 4.120 4.673 1.00 1.17 H new ATOM 0 HE1 MET A 38 -6.719 0.303 2.853 1.00 1.25 H new ATOM 0 HE2 MET A 38 -5.685 0.055 4.280 1.00 1.25 H new ATOM 0 HE3 MET A 38 -7.187 0.998 4.423 1.00 1.25 H new ATOM 671 N PHE A 39 -5.991 6.594 5.540 1.00 1.17 N ATOM 672 CA PHE A 39 -6.383 7.862 4.930 1.00 1.19 C ATOM 673 C PHE A 39 -5.809 9.066 5.675 1.00 1.20 C ATOM 674 O PHE A 39 -5.025 9.810 5.088 1.00 1.20 O ATOM 675 CB PHE A 39 -7.903 7.962 4.804 1.00 1.25 C ATOM 676 CG PHE A 39 -8.348 9.287 4.209 1.00 1.30 C ATOM 677 CD1 PHE A 39 -8.017 9.600 2.876 1.00 1.30 C ATOM 678 CD2 PHE A 39 -9.045 10.224 4.994 1.00 1.36 C ATOM 679 CE1 PHE A 39 -8.395 10.835 2.323 1.00 1.37 C ATOM 680 CE2 PHE A 39 -9.410 11.468 4.446 1.00 1.43 C ATOM 681 CZ PHE A 39 -9.081 11.774 3.114 1.00 1.44 C ATOM 0 H PHE A 39 -6.773 6.055 5.913 1.00 1.17 H new ATOM 0 HA PHE A 39 -5.956 7.880 3.927 1.00 1.19 H new ATOM 0 HB2 PHE A 39 -8.268 7.146 4.180 1.00 1.25 H new ATOM 0 HB3 PHE A 39 -8.356 7.838 5.788 1.00 1.25 H new ATOM 0 HD1 PHE A 39 -7.470 8.887 2.276 1.00 1.30 H new ATOM 0 HD2 PHE A 39 -9.300 9.989 6.017 1.00 1.36 H new ATOM 0 HE1 PHE A 39 -8.160 11.063 1.294 1.00 1.37 H new ATOM 0 HE2 PHE A 39 -9.943 12.188 5.049 1.00 1.43 H new ATOM 0 HZ PHE A 39 -9.356 12.732 2.697 1.00 1.44 H new ATOM 691 N GLN A 40 -6.127 9.264 6.963 1.00 1.24 N ATOM 692 CA GLN A 40 -5.578 10.424 7.690 1.00 1.27 C ATOM 693 C GLN A 40 -4.040 10.387 7.799 1.00 1.25 C ATOM 694 O GLN A 40 -3.404 11.442 7.802 1.00 1.28 O ATOM 695 CB GLN A 40 -6.273 10.591 9.053 1.00 1.33 C ATOM 696 CG GLN A 40 -5.845 9.542 10.088 1.00 1.33 C ATOM 697 CD GLN A 40 -6.814 9.454 11.260 1.00 1.39 C ATOM 698 OE1 GLN A 40 -6.589 9.980 12.340 1.00 1.44 O ATOM 699 NE2 GLN A 40 -7.920 8.765 11.086 1.00 1.40 N ATOM 0 H GLN A 40 -6.740 8.660 7.510 1.00 1.24 H new ATOM 0 HA GLN A 40 -5.798 11.315 7.102 1.00 1.27 H new ATOM 0 HB2 GLN A 40 -6.056 11.585 9.444 1.00 1.33 H new ATOM 0 HB3 GLN A 40 -7.352 10.532 8.912 1.00 1.33 H new ATOM 0 HG2 GLN A 40 -5.773 8.567 9.605 1.00 1.33 H new ATOM 0 HG3 GLN A 40 -4.850 9.787 10.460 1.00 1.33 H new ATOM 0 HE21 GLN A 40 -8.110 8.325 10.186 1.00 1.40 H new ATOM 0 HE22 GLN A 40 -8.588 8.671 11.851 1.00 1.40 H new ATOM 708 N ALA A 41 -3.429 9.195 7.802 1.00 1.21 N ATOM 709 CA ALA A 41 -1.982 9.036 7.674 1.00 1.20 C ATOM 710 C ALA A 41 -1.468 9.551 6.321 1.00 1.18 C ATOM 711 O ALA A 41 -0.599 10.420 6.292 1.00 1.21 O ATOM 712 CB ALA A 41 -1.615 7.564 7.895 1.00 1.18 C ATOM 0 H ALA A 41 -3.931 8.312 7.894 1.00 1.21 H new ATOM 0 HA ALA A 41 -1.493 9.642 8.436 1.00 1.20 H new ATOM 0 HB1 ALA A 41 -0.536 7.440 7.801 1.00 1.18 H new ATOM 0 HB2 ALA A 41 -1.930 7.256 8.892 1.00 1.18 H new ATOM 0 HB3 ALA A 41 -2.118 6.948 7.150 1.00 1.18 H new ATOM 718 N ALA A 42 -2.041 9.106 5.199 1.00 1.14 N ATOM 719 CA ALA A 42 -1.698 9.617 3.872 1.00 1.14 C ATOM 720 C ALA A 42 -1.894 11.137 3.756 1.00 1.20 C ATOM 721 O ALA A 42 -1.058 11.813 3.171 1.00 1.23 O ATOM 722 CB ALA A 42 -2.508 8.864 2.808 1.00 1.11 C ATOM 0 H ALA A 42 -2.757 8.380 5.187 1.00 1.14 H new ATOM 0 HA ALA A 42 -0.635 9.439 3.707 1.00 1.14 H new ATOM 0 HB1 ALA A 42 -2.252 9.245 1.819 1.00 1.11 H new ATOM 0 HB2 ALA A 42 -2.275 7.800 2.859 1.00 1.11 H new ATOM 0 HB3 ALA A 42 -3.573 9.011 2.989 1.00 1.11 H new ATOM 728 N GLN A 43 -2.948 11.687 4.369 1.00 1.23 N ATOM 729 CA GLN A 43 -3.212 13.131 4.341 1.00 1.31 C ATOM 730 C GLN A 43 -2.183 13.935 5.163 1.00 1.35 C ATOM 731 O GLN A 43 -1.926 15.100 4.851 1.00 1.42 O ATOM 732 CB GLN A 43 -4.650 13.432 4.796 1.00 1.35 C ATOM 733 CG GLN A 43 -5.733 12.886 3.843 1.00 1.35 C ATOM 734 CD GLN A 43 -5.600 13.376 2.399 1.00 1.38 C ATOM 735 OE1 GLN A 43 -5.440 14.558 2.120 1.00 1.45 O ATOM 736 NE2 GLN A 43 -5.640 12.492 1.424 1.00 1.35 N ATOM 0 H GLN A 43 -3.637 11.149 4.895 1.00 1.23 H new ATOM 0 HA GLN A 43 -3.104 13.457 3.306 1.00 1.31 H new ATOM 0 HB2 GLN A 43 -4.804 13.006 5.787 1.00 1.35 H new ATOM 0 HB3 GLN A 43 -4.773 14.511 4.890 1.00 1.35 H new ATOM 0 HG2 GLN A 43 -5.693 11.797 3.851 1.00 1.35 H new ATOM 0 HG3 GLN A 43 -6.714 13.172 4.223 1.00 1.35 H new ATOM 0 HE21 GLN A 43 -5.772 11.503 1.637 1.00 1.35 H new ATOM 0 HE22 GLN A 43 -5.538 12.796 0.456 1.00 1.35 H new ATOM 745 N LYS A 44 -1.541 13.294 6.152 1.00 1.33 N ATOM 746 CA LYS A 44 -0.411 13.896 6.879 1.00 1.39 C ATOM 747 C LYS A 44 0.879 13.792 6.065 1.00 1.39 C ATOM 748 O LYS A 44 1.578 14.789 5.884 1.00 1.45 O ATOM 749 CB LYS A 44 -0.291 13.214 8.252 1.00 1.39 C ATOM 750 CG LYS A 44 0.693 13.939 9.182 1.00 1.47 C ATOM 751 CD LYS A 44 0.910 13.198 10.508 1.00 1.49 C ATOM 752 CE LYS A 44 -0.402 12.943 11.264 1.00 1.49 C ATOM 753 NZ LYS A 44 -0.139 12.378 12.612 1.00 1.53 N ATOM 0 H LYS A 44 -1.786 12.356 6.468 1.00 1.33 H new ATOM 0 HA LYS A 44 -0.589 14.960 7.033 1.00 1.39 H new ATOM 0 HB2 LYS A 44 -1.273 13.178 8.724 1.00 1.39 H new ATOM 0 HB3 LYS A 44 0.035 12.183 8.115 1.00 1.39 H new ATOM 0 HG2 LYS A 44 1.650 14.053 8.673 1.00 1.47 H new ATOM 0 HG3 LYS A 44 0.320 14.942 9.388 1.00 1.47 H new ATOM 0 HD2 LYS A 44 1.403 12.246 10.311 1.00 1.49 H new ATOM 0 HD3 LYS A 44 1.582 13.780 11.139 1.00 1.49 H new ATOM 0 HE2 LYS A 44 -0.958 13.876 11.359 1.00 1.49 H new ATOM 0 HE3 LYS A 44 -1.027 12.256 10.693 1.00 1.49 H new ATOM 0 HZ1 LYS A 44 -1.042 12.215 13.102 1.00 1.53 H new ATOM 0 HZ2 LYS A 44 0.371 11.477 12.517 1.00 1.53 H new ATOM 0 HZ3 LYS A 44 0.438 13.046 13.162 1.00 1.53 H new ATOM 767 N LEU A 45 1.132 12.605 5.509 1.00 1.32 N ATOM 768 CA LEU A 45 2.251 12.382 4.584 1.00 1.32 C ATOM 769 C LEU A 45 2.050 13.007 3.163 1.00 1.34 C ATOM 770 O LEU A 45 2.830 12.709 2.256 1.00 1.34 O ATOM 771 CB LEU A 45 2.622 10.867 4.582 1.00 1.27 C ATOM 772 CG LEU A 45 3.326 10.249 5.828 1.00 1.30 C ATOM 773 CD1 LEU A 45 4.473 11.124 6.340 1.00 1.39 C ATOM 774 CD2 LEU A 45 2.402 9.958 7.008 1.00 1.29 C ATOM 0 H LEU A 45 0.570 11.772 5.685 1.00 1.32 H new ATOM 0 HA LEU A 45 3.113 12.937 4.953 1.00 1.32 H new ATOM 0 HB2 LEU A 45 1.703 10.306 4.414 1.00 1.27 H new ATOM 0 HB3 LEU A 45 3.266 10.689 3.721 1.00 1.27 H new ATOM 0 HG LEU A 45 3.702 9.298 5.451 1.00 1.30 H new ATOM 0 HD11 LEU A 45 4.932 10.651 7.208 1.00 1.39 H new ATOM 0 HD12 LEU A 45 5.219 11.242 5.554 1.00 1.39 H new ATOM 0 HD13 LEU A 45 4.086 12.103 6.622 1.00 1.39 H new ATOM 0 HD21 LEU A 45 2.981 9.530 7.827 1.00 1.29 H new ATOM 0 HD22 LEU A 45 1.933 10.884 7.340 1.00 1.29 H new ATOM 0 HD23 LEU A 45 1.631 9.251 6.701 1.00 1.29 H new ATOM 786 N GLY A 46 1.053 13.893 2.967 1.00 1.36 N ATOM 787 CA GLY A 46 0.976 14.727 1.737 1.00 1.42 C ATOM 788 C GLY A 46 -0.054 14.318 0.663 1.00 1.40 C ATOM 789 O GLY A 46 0.106 14.631 -0.520 1.00 1.44 O ATOM 0 H GLY A 46 0.296 14.053 3.632 1.00 1.36 H new ATOM 0 HA2 GLY A 46 0.759 15.752 2.038 1.00 1.42 H new ATOM 0 HA3 GLY A 46 1.962 14.733 1.272 1.00 1.42 H new ATOM 793 N GLY A 47 -1.098 13.618 1.100 1.00 1.34 N ATOM 794 CA GLY A 47 -2.060 12.961 0.220 1.00 1.32 C ATOM 795 C GLY A 47 -1.441 11.899 -0.693 1.00 1.28 C ATOM 796 O GLY A 47 -0.220 11.751 -0.795 1.00 1.27 O ATOM 0 H GLY A 47 -1.302 13.490 2.091 1.00 1.34 H new ATOM 0 HA2 GLY A 47 -2.835 12.496 0.829 1.00 1.32 H new ATOM 0 HA3 GLY A 47 -2.548 13.716 -0.396 1.00 1.32 H new ATOM 800 N TYR A 48 -2.306 11.182 -1.416 1.00 1.27 N ATOM 801 CA TYR A 48 -1.868 10.261 -2.475 1.00 1.26 C ATOM 802 C TYR A 48 -0.934 10.911 -3.519 1.00 1.32 C ATOM 803 O TYR A 48 -0.164 10.215 -4.182 1.00 1.31 O ATOM 804 CB TYR A 48 -3.107 9.654 -3.144 1.00 1.28 C ATOM 805 CG TYR A 48 -2.824 8.423 -3.987 1.00 1.26 C ATOM 806 CD1 TYR A 48 -2.679 7.169 -3.365 1.00 1.20 C ATOM 807 CD2 TYR A 48 -2.718 8.528 -5.388 1.00 1.33 C ATOM 808 CE1 TYR A 48 -2.463 6.012 -4.139 1.00 1.21 C ATOM 809 CE2 TYR A 48 -2.484 7.378 -6.164 1.00 1.33 C ATOM 810 CZ TYR A 48 -2.367 6.117 -5.542 1.00 1.27 C ATOM 811 OH TYR A 48 -2.169 5.008 -6.305 1.00 1.29 O ATOM 0 H TYR A 48 -3.317 11.220 -1.288 1.00 1.27 H new ATOM 0 HA TYR A 48 -1.268 9.481 -2.006 1.00 1.26 H new ATOM 0 HB2 TYR A 48 -3.831 9.392 -2.372 1.00 1.28 H new ATOM 0 HB3 TYR A 48 -3.573 10.412 -3.774 1.00 1.28 H new ATOM 0 HD1 TYR A 48 -2.734 7.093 -2.289 1.00 1.20 H new ATOM 0 HD2 TYR A 48 -2.816 9.491 -5.866 1.00 1.33 H new ATOM 0 HE1 TYR A 48 -2.371 5.048 -3.660 1.00 1.21 H new ATOM 0 HE2 TYR A 48 -2.394 7.461 -7.237 1.00 1.33 H new ATOM 0 HH TYR A 48 -2.129 5.264 -7.250 1.00 1.29 H new ATOM 821 N GLU A 49 -0.955 12.242 -3.659 1.00 1.39 N ATOM 822 CA GLU A 49 -0.153 12.933 -4.679 1.00 1.47 C ATOM 823 C GLU A 49 1.325 13.050 -4.291 1.00 1.46 C ATOM 824 O GLU A 49 2.191 12.678 -5.088 1.00 1.48 O ATOM 825 CB GLU A 49 -0.754 14.316 -4.964 1.00 1.57 C ATOM 826 CG GLU A 49 -2.025 14.179 -5.812 1.00 1.61 C ATOM 827 CD GLU A 49 -2.775 15.513 -5.922 1.00 1.71 C ATOM 828 OE1 GLU A 49 -2.305 16.437 -6.632 1.00 1.80 O ATOM 829 OE2 GLU A 49 -3.862 15.627 -5.306 1.00 1.72 O ATOM 0 H GLU A 49 -1.519 12.863 -3.079 1.00 1.39 H new ATOM 0 HA GLU A 49 -0.185 12.329 -5.586 1.00 1.47 H new ATOM 0 HB2 GLU A 49 -0.987 14.819 -4.026 1.00 1.57 H new ATOM 0 HB3 GLU A 49 -0.025 14.936 -5.486 1.00 1.57 H new ATOM 0 HG2 GLU A 49 -1.762 13.825 -6.809 1.00 1.61 H new ATOM 0 HG3 GLU A 49 -2.679 13.428 -5.370 1.00 1.61 H new ATOM 836 N THR A 50 1.643 13.474 -3.059 1.00 1.44 N ATOM 837 CA THR A 50 3.019 13.402 -2.542 1.00 1.45 C ATOM 838 C THR A 50 3.468 11.947 -2.424 1.00 1.37 C ATOM 839 O THR A 50 4.608 11.623 -2.755 1.00 1.40 O ATOM 840 CB THR A 50 3.180 14.105 -1.185 1.00 1.46 C ATOM 841 OG1 THR A 50 2.760 15.449 -1.284 1.00 1.54 O ATOM 842 CG2 THR A 50 4.632 14.147 -0.701 1.00 1.50 C ATOM 0 H THR A 50 0.969 13.869 -2.403 1.00 1.44 H new ATOM 0 HA THR A 50 3.650 13.927 -3.259 1.00 1.45 H new ATOM 0 HB THR A 50 2.578 13.529 -0.482 1.00 1.46 H new ATOM 0 HG1 THR A 50 1.807 15.511 -1.065 1.00 1.54 H new ATOM 0 HG21 THR A 50 4.680 14.656 0.262 1.00 1.50 H new ATOM 0 HG22 THR A 50 5.009 13.130 -0.593 1.00 1.50 H new ATOM 0 HG23 THR A 50 5.242 14.685 -1.427 1.00 1.50 H new ATOM 850 N ILE A 51 2.555 11.047 -2.041 1.00 1.30 N ATOM 851 CA ILE A 51 2.824 9.603 -2.024 1.00 1.24 C ATOM 852 C ILE A 51 3.283 9.082 -3.396 1.00 1.27 C ATOM 853 O ILE A 51 4.270 8.353 -3.469 1.00 1.27 O ATOM 854 CB ILE A 51 1.584 8.868 -1.450 1.00 1.18 C ATOM 855 CG1 ILE A 51 1.786 8.478 0.025 1.00 1.14 C ATOM 856 CG2 ILE A 51 1.159 7.624 -2.241 1.00 1.15 C ATOM 857 CD1 ILE A 51 1.758 9.687 0.973 1.00 1.17 C ATOM 0 H ILE A 51 1.614 11.296 -1.736 1.00 1.30 H new ATOM 0 HA ILE A 51 3.667 9.393 -1.366 1.00 1.24 H new ATOM 0 HB ILE A 51 0.778 9.596 -1.540 1.00 1.18 H new ATOM 0 HG12 ILE A 51 1.008 7.774 0.319 1.00 1.14 H new ATOM 0 HG13 ILE A 51 2.740 7.961 0.132 1.00 1.14 H new ATOM 0 HG21 ILE A 51 0.286 7.174 -1.769 1.00 1.15 H new ATOM 0 HG22 ILE A 51 0.912 7.910 -3.264 1.00 1.15 H new ATOM 0 HG23 ILE A 51 1.977 6.903 -2.253 1.00 1.15 H new ATOM 0 HD11 ILE A 51 1.906 9.349 1.999 1.00 1.17 H new ATOM 0 HD12 ILE A 51 2.554 10.381 0.702 1.00 1.17 H new ATOM 0 HD13 ILE A 51 0.795 10.190 0.892 1.00 1.17 H new ATOM 869 N THR A 52 2.616 9.477 -4.478 1.00 1.30 N ATOM 870 CA THR A 52 2.989 9.039 -5.836 1.00 1.35 C ATOM 871 C THR A 52 4.263 9.722 -6.330 1.00 1.42 C ATOM 872 O THR A 52 5.097 9.071 -6.963 1.00 1.45 O ATOM 873 CB THR A 52 1.825 9.278 -6.810 1.00 1.39 C ATOM 874 OG1 THR A 52 0.727 8.505 -6.375 1.00 1.34 O ATOM 875 CG2 THR A 52 2.117 8.821 -8.239 1.00 1.45 C ATOM 0 H THR A 52 1.810 10.102 -4.448 1.00 1.30 H new ATOM 0 HA THR A 52 3.199 7.970 -5.793 1.00 1.35 H new ATOM 0 HB THR A 52 1.642 10.352 -6.818 1.00 1.39 H new ATOM 0 HG1 THR A 52 0.296 8.948 -5.614 1.00 1.34 H new ATOM 0 HG21 THR A 52 1.251 9.021 -8.869 1.00 1.45 H new ATOM 0 HG22 THR A 52 2.980 9.363 -8.625 1.00 1.45 H new ATOM 0 HG23 THR A 52 2.329 7.752 -8.243 1.00 1.45 H new ATOM 883 N ALA A 53 4.462 10.993 -5.979 1.00 1.47 N ATOM 884 CA ALA A 53 5.690 11.717 -6.309 1.00 1.55 C ATOM 885 C ALA A 53 6.937 11.221 -5.541 1.00 1.54 C ATOM 886 O ALA A 53 8.053 11.443 -6.021 1.00 1.61 O ATOM 887 CB ALA A 53 5.444 13.208 -6.047 1.00 1.61 C ATOM 0 H ALA A 53 3.780 11.547 -5.461 1.00 1.47 H new ATOM 0 HA ALA A 53 5.917 11.533 -7.359 1.00 1.55 H new ATOM 0 HB1 ALA A 53 6.345 13.773 -6.285 1.00 1.61 H new ATOM 0 HB2 ALA A 53 4.622 13.556 -6.672 1.00 1.61 H new ATOM 0 HB3 ALA A 53 5.190 13.356 -4.997 1.00 1.61 H new ATOM 893 N ARG A 54 6.769 10.565 -4.376 1.00 1.47 N ATOM 894 CA ARG A 54 7.913 10.271 -3.473 1.00 1.49 C ATOM 895 C ARG A 54 8.013 8.831 -2.945 1.00 1.44 C ATOM 896 O ARG A 54 9.013 8.508 -2.303 1.00 1.48 O ATOM 897 CB ARG A 54 7.861 11.239 -2.271 1.00 1.51 C ATOM 898 CG ARG A 54 7.952 12.742 -2.599 1.00 1.59 C ATOM 899 CD ARG A 54 9.289 13.168 -3.230 1.00 1.68 C ATOM 900 NE ARG A 54 10.447 12.880 -2.358 1.00 1.72 N ATOM 901 CZ ARG A 54 10.875 13.586 -1.325 1.00 1.77 C ATOM 902 NH1 ARG A 54 10.290 14.687 -0.940 1.00 1.79 N ATOM 903 NH2 ARG A 54 11.917 13.196 -0.651 1.00 1.82 N ATOM 0 H ARG A 54 5.867 10.230 -4.036 1.00 1.47 H new ATOM 0 HA ARG A 54 8.800 10.406 -4.092 1.00 1.49 H new ATOM 0 HB2 ARG A 54 6.931 11.063 -1.730 1.00 1.51 H new ATOM 0 HB3 ARG A 54 8.677 10.987 -1.593 1.00 1.51 H new ATOM 0 HG2 ARG A 54 7.142 13.004 -3.279 1.00 1.59 H new ATOM 0 HG3 ARG A 54 7.797 13.313 -1.683 1.00 1.59 H new ATOM 0 HD2 ARG A 54 9.418 12.652 -4.181 1.00 1.68 H new ATOM 0 HD3 ARG A 54 9.260 14.236 -3.448 1.00 1.68 H new ATOM 0 HE ARG A 54 10.978 12.038 -2.579 1.00 1.72 H new ATOM 0 HH11 ARG A 54 9.471 15.032 -1.441 1.00 1.79 H new ATOM 0 HH12 ARG A 54 10.651 15.203 -0.138 1.00 1.79 H new ATOM 0 HH21 ARG A 54 12.407 12.343 -0.919 1.00 1.82 H new ATOM 0 HH22 ARG A 54 12.244 13.744 0.145 1.00 1.82 H new ATOM 917 N ARG A 55 7.020 7.964 -3.197 1.00 1.37 N ATOM 918 CA ARG A 55 6.864 6.628 -2.566 1.00 1.32 C ATOM 919 C ARG A 55 6.936 6.758 -1.040 1.00 1.31 C ATOM 920 O ARG A 55 7.743 6.140 -0.347 1.00 1.35 O ATOM 921 CB ARG A 55 7.820 5.587 -3.199 1.00 1.37 C ATOM 922 CG ARG A 55 7.880 5.633 -4.742 1.00 1.40 C ATOM 923 CD ARG A 55 6.524 5.461 -5.449 1.00 1.35 C ATOM 924 NE ARG A 55 6.362 6.415 -6.568 1.00 1.40 N ATOM 925 CZ ARG A 55 6.818 6.313 -7.801 1.00 1.46 C ATOM 926 NH1 ARG A 55 7.503 5.285 -8.218 1.00 1.49 N ATOM 927 NH2 ARG A 55 6.586 7.277 -8.641 1.00 1.51 N ATOM 0 H ARG A 55 6.277 8.172 -3.864 1.00 1.37 H new ATOM 0 HA ARG A 55 5.872 6.226 -2.775 1.00 1.32 H new ATOM 0 HB2 ARG A 55 8.823 5.745 -2.803 1.00 1.37 H new ATOM 0 HB3 ARG A 55 7.509 4.590 -2.889 1.00 1.37 H new ATOM 0 HG2 ARG A 55 8.313 6.586 -5.046 1.00 1.40 H new ATOM 0 HG3 ARG A 55 8.556 4.851 -5.088 1.00 1.40 H new ATOM 0 HD2 ARG A 55 6.437 4.442 -5.825 1.00 1.35 H new ATOM 0 HD3 ARG A 55 5.718 5.605 -4.729 1.00 1.35 H new ATOM 0 HE ARG A 55 5.830 7.260 -6.359 1.00 1.40 H new ATOM 0 HH11 ARG A 55 7.707 4.515 -7.580 1.00 1.49 H new ATOM 0 HH12 ARG A 55 7.835 5.251 -9.182 1.00 1.49 H new ATOM 0 HH21 ARG A 55 6.058 8.097 -8.343 1.00 1.51 H new ATOM 0 HH22 ARG A 55 6.932 7.213 -9.598 1.00 1.51 H new ATOM 941 N GLN A 56 6.041 7.624 -0.554 1.00 1.28 N ATOM 942 CA GLN A 56 6.028 8.029 0.856 1.00 1.29 C ATOM 943 C GLN A 56 5.283 7.025 1.762 1.00 1.24 C ATOM 944 O GLN A 56 5.222 7.239 2.972 1.00 1.25 O ATOM 945 CB GLN A 56 5.462 9.458 0.992 1.00 1.30 C ATOM 946 CG GLN A 56 6.167 10.312 2.062 1.00 1.37 C ATOM 947 CD GLN A 56 7.408 11.029 1.524 1.00 1.46 C ATOM 948 OE1 GLN A 56 8.611 10.589 1.823 1.00 1.49 O flip ATOM 949 NE2 GLN A 56 7.316 12.022 0.816 1.00 1.51 N flip ATOM 0 H GLN A 56 5.313 8.060 -1.119 1.00 1.28 H new ATOM 0 HA GLN A 56 7.060 8.029 1.207 1.00 1.29 H new ATOM 0 HB2 GLN A 56 5.542 9.962 0.029 1.00 1.30 H new ATOM 0 HB3 GLN A 56 4.401 9.396 1.233 1.00 1.30 H new ATOM 0 HG2 GLN A 56 5.466 11.051 2.451 1.00 1.37 H new ATOM 0 HG3 GLN A 56 6.455 9.674 2.898 1.00 1.37 H new ATOM 0 HE21 GLN A 56 6.397 12.387 0.567 1.00 1.51 H new ATOM 0 HE22 GLN A 56 8.158 12.485 0.475 1.00 1.51 H new ATOM 958 N TRP A 57 4.754 5.911 1.228 1.00 1.19 N ATOM 959 CA TRP A 57 4.131 4.836 2.022 1.00 1.17 C ATOM 960 C TRP A 57 5.039 4.290 3.126 1.00 1.24 C ATOM 961 O TRP A 57 4.544 3.958 4.200 1.00 1.24 O ATOM 962 CB TRP A 57 3.637 3.686 1.138 1.00 1.15 C ATOM 963 CG TRP A 57 2.443 4.010 0.310 1.00 1.11 C ATOM 964 CD1 TRP A 57 2.451 4.369 -0.990 1.00 1.11 C ATOM 965 CD2 TRP A 57 1.046 4.010 0.728 1.00 1.07 C ATOM 966 NE1 TRP A 57 1.157 4.619 -1.395 1.00 1.09 N ATOM 967 CE2 TRP A 57 0.249 4.430 -0.376 1.00 1.07 C ATOM 968 CE3 TRP A 57 0.374 3.716 1.933 1.00 1.07 C ATOM 969 CZ2 TRP A 57 -1.142 4.581 -0.281 1.00 1.06 C ATOM 970 CZ3 TRP A 57 -1.019 3.847 2.038 1.00 1.06 C ATOM 971 CH2 TRP A 57 -1.772 4.284 0.938 1.00 1.06 C ATOM 0 H TRP A 57 4.746 5.729 0.224 1.00 1.19 H new ATOM 0 HA TRP A 57 3.275 5.303 2.508 1.00 1.17 H new ATOM 0 HB2 TRP A 57 4.448 3.378 0.478 1.00 1.15 H new ATOM 0 HB3 TRP A 57 3.402 2.832 1.773 1.00 1.15 H new ATOM 0 HD1 TRP A 57 3.329 4.448 -1.613 1.00 1.11 H new ATOM 0 HE1 TRP A 57 0.902 4.910 -2.339 1.00 1.09 H new ATOM 0 HE3 TRP A 57 0.942 3.384 2.790 1.00 1.07 H new ATOM 0 HZ2 TRP A 57 -1.718 4.919 -1.130 1.00 1.06 H new ATOM 0 HZ3 TRP A 57 -1.513 3.611 2.969 1.00 1.06 H new ATOM 0 HH2 TRP A 57 -2.843 4.393 1.029 1.00 1.06 H new ATOM 982 N LYS A 58 6.355 4.300 2.960 1.00 1.32 N ATOM 983 CA LYS A 58 7.216 3.851 4.058 1.00 1.42 C ATOM 984 C LYS A 58 7.050 4.790 5.270 1.00 1.43 C ATOM 985 O LYS A 58 7.207 4.376 6.419 1.00 1.51 O ATOM 986 CB LYS A 58 8.687 3.791 3.643 1.00 1.54 C ATOM 987 CG LYS A 58 9.598 3.315 4.766 1.00 1.98 C ATOM 988 CD LYS A 58 11.003 3.016 4.272 1.00 2.07 C ATOM 989 CE LYS A 58 11.903 2.536 5.403 1.00 2.58 C ATOM 990 NZ LYS A 58 13.117 1.836 4.894 1.00 2.89 N ATOM 0 H LYS A 58 6.839 4.600 2.114 1.00 1.32 H new ATOM 0 HA LYS A 58 6.909 2.841 4.328 1.00 1.42 H new ATOM 0 HB2 LYS A 58 8.792 3.123 2.788 1.00 1.54 H new ATOM 0 HB3 LYS A 58 9.008 4.780 3.315 1.00 1.54 H new ATOM 0 HG2 LYS A 58 9.642 4.077 5.544 1.00 1.98 H new ATOM 0 HG3 LYS A 58 9.175 2.419 5.220 1.00 1.98 H new ATOM 0 HD2 LYS A 58 10.961 2.256 3.492 1.00 2.07 H new ATOM 0 HD3 LYS A 58 11.430 3.912 3.822 1.00 2.07 H new ATOM 0 HE2 LYS A 58 12.205 3.388 6.012 1.00 2.58 H new ATOM 0 HE3 LYS A 58 11.342 1.863 6.052 1.00 2.58 H new ATOM 0 HZ1 LYS A 58 13.701 1.526 5.697 1.00 2.89 H new ATOM 0 HZ2 LYS A 58 12.831 1.008 4.334 1.00 2.89 H new ATOM 0 HZ3 LYS A 58 13.667 2.485 4.296 1.00 2.89 H new ATOM 1004 N HIS A 59 6.737 6.061 4.992 1.00 1.39 N ATOM 1005 CA HIS A 59 6.523 7.064 6.040 1.00 1.40 C ATOM 1006 C HIS A 59 5.146 6.874 6.698 1.00 1.32 C ATOM 1007 O HIS A 59 4.963 7.196 7.869 1.00 1.35 O ATOM 1008 CB HIS A 59 6.716 8.474 5.479 1.00 1.43 C ATOM 1009 CG HIS A 59 8.095 8.686 4.914 1.00 1.58 C ATOM 1010 ND1 HIS A 59 8.723 8.103 3.861 1.00 1.81 N flip ATOM 1011 CD2 HIS A 59 9.007 9.566 5.459 1.00 1.59 C flip ATOM 1012 CE1 HIS A 59 9.987 8.633 3.792 1.00 1.93 C flip ATOM 1013 NE2 HIS A 59 10.134 9.514 4.766 1.00 1.79 N flip ATOM 0 H HIS A 59 6.626 6.420 4.044 1.00 1.39 H new ATOM 0 HA HIS A 59 7.269 6.927 6.823 1.00 1.40 H new ATOM 0 HB2 HIS A 59 5.976 8.656 4.700 1.00 1.43 H new ATOM 0 HB3 HIS A 59 6.534 9.204 6.268 1.00 1.43 H new ATOM 0 HD2 HIS A 59 8.830 10.198 6.316 1.00 1.59 H new ATOM 0 HE1 HIS A 59 10.739 8.373 3.061 1.00 1.93 H new ATOM 0 HE2 HIS A 59 10.974 10.062 4.952 1.00 1.79 H new ATOM 1022 N ILE A 60 4.170 6.400 5.916 1.00 1.23 N ATOM 1023 CA ILE A 60 2.847 6.037 6.447 1.00 1.20 C ATOM 1024 C ILE A 60 3.064 4.896 7.437 1.00 1.27 C ATOM 1025 O ILE A 60 2.567 4.989 8.548 1.00 1.33 O ATOM 1026 CB ILE A 60 1.827 5.692 5.340 1.00 1.15 C ATOM 1027 CG1 ILE A 60 1.446 6.997 4.607 1.00 1.14 C ATOM 1028 CG2 ILE A 60 0.578 5.002 5.929 1.00 1.18 C ATOM 1029 CD1 ILE A 60 0.601 6.788 3.349 1.00 1.14 C ATOM 0 H ILE A 60 4.270 6.258 4.911 1.00 1.23 H new ATOM 0 HA ILE A 60 2.398 6.891 6.953 1.00 1.20 H new ATOM 0 HB ILE A 60 2.273 4.990 4.635 1.00 1.15 H new ATOM 0 HG12 ILE A 60 0.898 7.640 5.296 1.00 1.14 H new ATOM 0 HG13 ILE A 60 2.359 7.526 4.334 1.00 1.14 H new ATOM 0 HG21 ILE A 60 -0.122 4.771 5.126 1.00 1.18 H new ATOM 0 HG22 ILE A 60 0.874 4.080 6.429 1.00 1.18 H new ATOM 0 HG23 ILE A 60 0.100 5.667 6.648 1.00 1.18 H new ATOM 0 HD11 ILE A 60 0.378 7.754 2.896 1.00 1.14 H new ATOM 0 HD12 ILE A 60 1.153 6.173 2.638 1.00 1.14 H new ATOM 0 HD13 ILE A 60 -0.330 6.288 3.615 1.00 1.14 H new ATOM 1238 N THR A 77 -0.043 -1.609 0.873 1.00 1.35 N ATOM 1239 CA THR A 77 -1.263 -0.848 1.142 1.00 1.39 C ATOM 1240 C THR A 77 -1.593 0.107 -0.014 1.00 1.34 C ATOM 1241 O THR A 77 -2.751 0.453 -0.234 1.00 1.38 O ATOM 1242 CB THR A 77 -1.119 -0.044 2.452 1.00 1.41 C ATOM 1243 OG1 THR A 77 -0.556 -0.877 3.475 1.00 1.48 O ATOM 1244 CG2 THR A 77 -2.460 0.491 2.924 1.00 1.49 C ATOM 0 HA THR A 77 -2.080 -1.562 1.243 1.00 1.39 H new ATOM 0 HB THR A 77 -0.460 0.802 2.254 1.00 1.41 H new ATOM 0 HG1 THR A 77 -0.003 -1.573 3.063 1.00 1.48 H new ATOM 0 HG21 THR A 77 -2.323 1.052 3.848 1.00 1.49 H new ATOM 0 HG22 THR A 77 -2.879 1.146 2.161 1.00 1.49 H new ATOM 0 HG23 THR A 77 -3.141 -0.341 3.102 1.00 1.49 H new ATOM 1252 N ARG A 78 -0.551 0.536 -0.727 1.00 1.27 N ATOM 1253 CA ARG A 78 -0.671 1.445 -1.878 1.00 1.25 C ATOM 1254 C ARG A 78 -1.652 0.910 -2.930 1.00 1.30 C ATOM 1255 O ARG A 78 -2.473 1.646 -3.481 1.00 1.29 O ATOM 1256 CB ARG A 78 0.725 1.600 -2.502 1.00 1.25 C ATOM 1257 CG ARG A 78 0.768 2.341 -3.832 1.00 1.33 C ATOM 1258 CD ARG A 78 2.048 2.009 -4.589 1.00 1.40 C ATOM 1259 NE ARG A 78 2.375 3.009 -5.605 1.00 1.56 N ATOM 1260 CZ ARG A 78 3.607 3.211 -6.076 1.00 1.92 C ATOM 1261 NH1 ARG A 78 4.631 2.495 -5.618 1.00 2.01 N ATOM 1262 NH2 ARG A 78 3.817 4.135 -7.004 1.00 2.42 N ATOM 0 H ARG A 78 0.410 0.263 -0.524 1.00 1.27 H new ATOM 0 HA ARG A 78 -1.060 2.404 -1.535 1.00 1.25 H new ATOM 0 HB2 ARG A 78 1.365 2.124 -1.793 1.00 1.25 H new ATOM 0 HB3 ARG A 78 1.153 0.608 -2.644 1.00 1.25 H new ATOM 0 HG2 ARG A 78 -0.098 2.069 -4.435 1.00 1.33 H new ATOM 0 HG3 ARG A 78 0.710 3.415 -3.658 1.00 1.33 H new ATOM 0 HD2 ARG A 78 2.874 1.931 -3.882 1.00 1.40 H new ATOM 0 HD3 ARG A 78 1.942 1.034 -5.065 1.00 1.40 H new ATOM 0 HE ARG A 78 1.618 3.585 -5.974 1.00 1.56 H new ATOM 0 HH11 ARG A 78 4.477 1.785 -4.902 1.00 2.01 H new ATOM 0 HH12 ARG A 78 5.570 2.656 -5.983 1.00 2.01 H new ATOM 0 HH21 ARG A 78 3.037 4.690 -7.357 1.00 2.42 H new ATOM 0 HH22 ARG A 78 4.758 4.291 -7.365 1.00 2.42 H new ATOM 1276 N ARG A 79 -1.539 -0.382 -3.180 1.00 1.37 N ATOM 1277 CA ARG A 79 -2.339 -1.111 -4.157 1.00 1.45 C ATOM 1278 C ARG A 79 -3.781 -1.346 -3.696 1.00 1.48 C ATOM 1279 O ARG A 79 -4.683 -1.460 -4.527 1.00 1.54 O ATOM 1280 CB ARG A 79 -1.662 -2.433 -4.555 1.00 1.52 C ATOM 1281 CG ARG A 79 -0.236 -2.233 -5.104 1.00 1.51 C ATOM 1282 CD ARG A 79 0.389 -3.546 -5.595 1.00 1.59 C ATOM 1283 NE ARG A 79 -0.260 -4.047 -6.825 1.00 1.67 N ATOM 1284 CZ ARG A 79 -0.004 -5.184 -7.447 1.00 1.76 C ATOM 1285 NH1 ARG A 79 0.892 -6.025 -7.012 1.00 1.79 N ATOM 1286 NH2 ARG A 79 -0.647 -5.500 -8.535 1.00 1.82 N ATOM 0 H ARG A 79 -0.867 -0.975 -2.694 1.00 1.37 H new ATOM 0 HA ARG A 79 -2.398 -0.475 -5.040 1.00 1.45 H new ATOM 0 HB2 ARG A 79 -1.623 -3.091 -3.687 1.00 1.52 H new ATOM 0 HB3 ARG A 79 -2.269 -2.934 -5.309 1.00 1.52 H new ATOM 0 HG2 ARG A 79 -0.262 -1.517 -5.925 1.00 1.51 H new ATOM 0 HG3 ARG A 79 0.394 -1.802 -4.325 1.00 1.51 H new ATOM 0 HD2 ARG A 79 1.452 -3.393 -5.783 1.00 1.59 H new ATOM 0 HD3 ARG A 79 0.310 -4.300 -4.811 1.00 1.59 H new ATOM 0 HE ARG A 79 -0.980 -3.453 -7.236 1.00 1.67 H new ATOM 0 HH11 ARG A 79 1.421 -5.814 -6.166 1.00 1.79 H new ATOM 0 HH12 ARG A 79 1.064 -6.894 -7.518 1.00 1.79 H new ATOM 0 HH21 ARG A 79 -1.353 -4.868 -8.912 1.00 1.82 H new ATOM 0 HH22 ARG A 79 -0.444 -6.380 -9.010 1.00 1.82 H new ATOM 1300 N HIS A 80 -4.011 -1.373 -2.383 1.00 1.47 N ATOM 1301 CA HIS A 80 -5.345 -1.373 -1.783 1.00 1.50 C ATOM 1302 C HIS A 80 -5.965 0.033 -1.846 1.00 1.44 C ATOM 1303 O HIS A 80 -7.060 0.189 -2.382 1.00 1.48 O ATOM 1304 CB HIS A 80 -5.262 -1.927 -0.349 1.00 1.52 C ATOM 1305 CG HIS A 80 -4.635 -3.303 -0.270 1.00 1.60 C ATOM 1306 ND1 HIS A 80 -3.848 -3.783 0.756 1.00 1.62 N ATOM 1307 CD2 HIS A 80 -4.736 -4.317 -1.194 1.00 1.68 C ATOM 1308 CE1 HIS A 80 -3.488 -5.043 0.459 1.00 1.70 C ATOM 1309 NE2 HIS A 80 -4.002 -5.415 -0.725 1.00 1.74 N ATOM 0 H HIS A 80 -3.260 -1.396 -1.693 1.00 1.47 H new ATOM 0 HA HIS A 80 -6.009 -2.027 -2.349 1.00 1.50 H new ATOM 0 HB2 HIS A 80 -4.684 -1.237 0.266 1.00 1.52 H new ATOM 0 HB3 HIS A 80 -6.265 -1.968 0.075 1.00 1.52 H new ATOM 0 HD2 HIS A 80 -5.287 -4.274 -2.122 1.00 1.68 H new ATOM 0 HE1 HIS A 80 -2.871 -5.670 1.085 1.00 1.70 H new ATOM 0 HE2 HIS A 80 -3.882 -6.315 -1.189 1.00 1.74 H new ATOM 1318 N TYR A 81 -5.248 1.079 -1.404 1.00 1.35 N ATOM 1319 CA TYR A 81 -5.740 2.467 -1.389 1.00 1.29 C ATOM 1320 C TYR A 81 -6.200 2.955 -2.770 1.00 1.32 C ATOM 1321 O TYR A 81 -7.230 3.626 -2.873 1.00 1.34 O ATOM 1322 CB TYR A 81 -4.639 3.379 -0.820 1.00 1.21 C ATOM 1323 CG TYR A 81 -5.049 4.819 -0.512 1.00 1.16 C ATOM 1324 CD1 TYR A 81 -5.265 5.744 -1.557 1.00 1.16 C ATOM 1325 CD2 TYR A 81 -5.157 5.252 0.824 1.00 1.14 C ATOM 1326 CE1 TYR A 81 -5.608 7.079 -1.268 1.00 1.14 C ATOM 1327 CE2 TYR A 81 -5.428 6.604 1.115 1.00 1.12 C ATOM 1328 CZ TYR A 81 -5.670 7.522 0.072 1.00 1.12 C ATOM 1329 OH TYR A 81 -5.995 8.811 0.367 1.00 1.11 O ATOM 0 H TYR A 81 -4.299 0.984 -1.043 1.00 1.35 H new ATOM 0 HA TYR A 81 -6.624 2.505 -0.753 1.00 1.29 H new ATOM 0 HB2 TYR A 81 -4.259 2.927 0.096 1.00 1.21 H new ATOM 0 HB3 TYR A 81 -3.812 3.402 -1.530 1.00 1.21 H new ATOM 0 HD1 TYR A 81 -5.167 5.426 -2.584 1.00 1.16 H new ATOM 0 HD2 TYR A 81 -5.031 4.544 1.630 1.00 1.14 H new ATOM 0 HE1 TYR A 81 -5.824 7.766 -2.073 1.00 1.14 H new ATOM 0 HE2 TYR A 81 -5.450 6.939 2.142 1.00 1.12 H new ATOM 0 HH TYR A 81 -6.362 9.246 -0.430 1.00 1.11 H new ATOM 1339 N GLU A 82 -5.504 2.568 -3.852 1.00 1.34 N ATOM 1340 CA GLU A 82 -5.810 3.009 -5.213 1.00 1.39 C ATOM 1341 C GLU A 82 -7.109 2.405 -5.766 1.00 1.50 C ATOM 1342 O GLU A 82 -7.552 2.790 -6.852 1.00 1.56 O ATOM 1343 CB GLU A 82 -4.613 2.815 -6.158 1.00 1.40 C ATOM 1344 CG GLU A 82 -4.365 1.371 -6.582 1.00 1.46 C ATOM 1345 CD GLU A 82 -3.356 1.299 -7.741 1.00 1.49 C ATOM 1346 OE1 GLU A 82 -3.754 1.595 -8.896 1.00 1.56 O ATOM 1347 OE2 GLU A 82 -2.180 0.924 -7.514 1.00 1.46 O ATOM 0 H GLU A 82 -4.707 1.934 -3.800 1.00 1.34 H new ATOM 0 HA GLU A 82 -5.995 4.082 -5.155 1.00 1.39 H new ATOM 0 HB2 GLU A 82 -4.770 3.420 -7.051 1.00 1.40 H new ATOM 0 HB3 GLU A 82 -3.716 3.195 -5.669 1.00 1.40 H new ATOM 0 HG2 GLU A 82 -3.990 0.799 -5.733 1.00 1.46 H new ATOM 0 HG3 GLU A 82 -5.306 0.911 -6.886 1.00 1.46 H new ATOM 1354 N ARG A 83 -7.728 1.476 -5.016 1.00 1.53 N ATOM 1355 CA ARG A 83 -9.079 0.981 -5.315 1.00 1.64 C ATOM 1356 C ARG A 83 -10.068 1.114 -4.150 1.00 1.64 C ATOM 1357 O ARG A 83 -11.257 0.883 -4.357 1.00 1.73 O ATOM 1358 CB ARG A 83 -9.020 -0.482 -5.802 1.00 1.73 C ATOM 1359 CG ARG A 83 -8.235 -0.709 -7.100 1.00 1.75 C ATOM 1360 CD ARG A 83 -8.860 -0.006 -8.316 1.00 1.81 C ATOM 1361 NE ARG A 83 -8.039 -0.217 -9.525 1.00 1.84 N ATOM 1362 CZ ARG A 83 -6.922 0.419 -9.834 1.00 1.78 C ATOM 1363 NH1 ARG A 83 -6.509 1.469 -9.188 1.00 1.68 N ATOM 1364 NH2 ARG A 83 -6.161 -0.002 -10.802 1.00 1.82 N ATOM 0 H ARG A 83 -7.307 1.051 -4.190 1.00 1.53 H new ATOM 0 HA ARG A 83 -9.462 1.623 -6.108 1.00 1.64 H new ATOM 0 HB2 ARG A 83 -8.575 -1.092 -5.016 1.00 1.73 H new ATOM 0 HB3 ARG A 83 -10.039 -0.841 -5.945 1.00 1.73 H new ATOM 0 HG2 ARG A 83 -7.214 -0.352 -6.967 1.00 1.75 H new ATOM 0 HG3 ARG A 83 -8.175 -1.779 -7.298 1.00 1.75 H new ATOM 0 HD2 ARG A 83 -9.867 -0.388 -8.484 1.00 1.81 H new ATOM 0 HD3 ARG A 83 -8.953 1.061 -8.116 1.00 1.81 H new ATOM 0 HE ARG A 83 -8.365 -0.922 -10.186 1.00 1.84 H new ATOM 0 HH11 ARG A 83 -7.054 1.834 -8.407 1.00 1.68 H new ATOM 0 HH12 ARG A 83 -5.640 1.927 -9.462 1.00 1.68 H new ATOM 0 HH21 ARG A 83 -6.424 -0.832 -11.333 1.00 1.82 H new ATOM 0 HH22 ARG A 83 -5.302 0.498 -11.030 1.00 1.82 H new ATOM 1378 N LEU A 84 -9.605 1.512 -2.959 1.00 1.56 N ATOM 1379 CA LEU A 84 -10.419 1.443 -1.742 1.00 1.57 C ATOM 1380 C LEU A 84 -10.713 2.830 -1.143 1.00 1.51 C ATOM 1381 O LEU A 84 -11.554 2.943 -0.260 1.00 1.54 O ATOM 1382 CB LEU A 84 -9.658 0.522 -0.773 1.00 1.56 C ATOM 1383 CG LEU A 84 -10.392 0.135 0.512 1.00 1.61 C ATOM 1384 CD1 LEU A 84 -11.691 -0.616 0.244 1.00 1.73 C ATOM 1385 CD2 LEU A 84 -9.494 -0.763 1.357 1.00 1.61 C ATOM 0 H LEU A 84 -8.667 1.886 -2.813 1.00 1.56 H new ATOM 0 HA LEU A 84 -11.408 1.040 -1.959 1.00 1.57 H new ATOM 0 HB2 LEU A 84 -9.395 -0.392 -1.305 1.00 1.56 H new ATOM 0 HB3 LEU A 84 -8.723 1.011 -0.499 1.00 1.56 H new ATOM 0 HG LEU A 84 -10.634 1.063 1.030 1.00 1.61 H new ATOM 0 HD11 LEU A 84 -12.169 -0.865 1.191 1.00 1.73 H new ATOM 0 HD12 LEU A 84 -12.359 0.012 -0.346 1.00 1.73 H new ATOM 0 HD13 LEU A 84 -11.475 -1.532 -0.305 1.00 1.73 H new ATOM 0 HD21 LEU A 84 -10.015 -1.040 2.273 1.00 1.61 H new ATOM 0 HD22 LEU A 84 -9.246 -1.663 0.794 1.00 1.61 H new ATOM 0 HD23 LEU A 84 -8.578 -0.229 1.608 1.00 1.61 H new ATOM 1397 N ILE A 85 -10.053 3.885 -1.638 1.00 1.44 N ATOM 1398 CA ILE A 85 -10.445 5.271 -1.319 1.00 1.41 C ATOM 1399 C ILE A 85 -9.964 6.303 -2.337 1.00 1.39 C ATOM 1400 O ILE A 85 -10.623 7.327 -2.468 1.00 1.42 O ATOM 1401 CB ILE A 85 -10.065 5.659 0.122 1.00 1.35 C ATOM 1402 CG1 ILE A 85 -10.740 6.994 0.514 1.00 1.35 C ATOM 1403 CG2 ILE A 85 -8.548 5.714 0.324 1.00 1.26 C ATOM 1404 CD1 ILE A 85 -10.922 7.180 2.021 1.00 1.33 C ATOM 0 H ILE A 85 -9.247 3.810 -2.259 1.00 1.44 H new ATOM 0 HA ILE A 85 -11.533 5.287 -1.389 1.00 1.41 H new ATOM 0 HB ILE A 85 -10.436 4.878 0.786 1.00 1.35 H new ATOM 0 HG12 ILE A 85 -10.143 7.819 0.126 1.00 1.35 H new ATOM 0 HG13 ILE A 85 -11.715 7.052 0.031 1.00 1.35 H new ATOM 0 HG21 ILE A 85 -8.328 5.992 1.355 1.00 1.26 H new ATOM 0 HG22 ILE A 85 -8.117 4.736 0.112 1.00 1.26 H new ATOM 0 HG23 ILE A 85 -8.118 6.454 -0.351 1.00 1.26 H new ATOM 0 HD11 ILE A 85 -11.402 8.140 2.214 1.00 1.33 H new ATOM 0 HD12 ILE A 85 -11.546 6.377 2.414 1.00 1.33 H new ATOM 0 HD13 ILE A 85 -9.949 7.156 2.511 1.00 1.33 H new ATOM 1416 N LEU A 86 -8.928 6.037 -3.139 1.00 1.37 N ATOM 1417 CA LEU A 86 -8.598 6.876 -4.300 1.00 1.39 C ATOM 1418 C LEU A 86 -9.824 7.186 -5.204 1.00 1.49 C ATOM 1419 O LEU A 86 -9.972 8.346 -5.599 1.00 1.52 O ATOM 1420 CB LEU A 86 -7.442 6.219 -5.069 1.00 1.37 C ATOM 1421 CG LEU A 86 -6.937 6.976 -6.310 1.00 1.41 C ATOM 1422 CD1 LEU A 86 -6.468 8.397 -5.983 1.00 1.37 C ATOM 1423 CD2 LEU A 86 -5.771 6.229 -6.948 1.00 1.40 C ATOM 0 H LEU A 86 -8.300 5.244 -3.006 1.00 1.37 H new ATOM 0 HA LEU A 86 -8.279 7.855 -3.942 1.00 1.39 H new ATOM 0 HB2 LEU A 86 -6.605 6.087 -4.383 1.00 1.37 H new ATOM 0 HB3 LEU A 86 -7.759 5.223 -5.380 1.00 1.37 H new ATOM 0 HG LEU A 86 -7.783 7.038 -6.995 1.00 1.41 H new ATOM 0 HD11 LEU A 86 -6.122 8.885 -6.894 1.00 1.37 H new ATOM 0 HD12 LEU A 86 -7.296 8.965 -5.559 1.00 1.37 H new ATOM 0 HD13 LEU A 86 -5.651 8.354 -5.263 1.00 1.37 H new ATOM 0 HD21 LEU A 86 -5.424 6.776 -7.825 1.00 1.40 H new ATOM 0 HD22 LEU A 86 -4.957 6.143 -6.229 1.00 1.40 H new ATOM 0 HD23 LEU A 86 -6.097 5.233 -7.248 1.00 1.40 H new ATOM 1435 N PRO A 87 -10.751 6.236 -5.488 1.00 1.58 N ATOM 1436 CA PRO A 87 -11.994 6.550 -6.202 1.00 1.69 C ATOM 1437 C PRO A 87 -13.056 7.308 -5.377 1.00 1.71 C ATOM 1438 O PRO A 87 -13.971 7.866 -5.989 1.00 1.80 O ATOM 1439 CB PRO A 87 -12.537 5.204 -6.696 1.00 1.78 C ATOM 1440 CG PRO A 87 -11.994 4.204 -5.683 1.00 1.71 C ATOM 1441 CD PRO A 87 -10.622 4.783 -5.355 1.00 1.59 C ATOM 0 HA PRO A 87 -11.768 7.245 -7.011 1.00 1.69 H new ATOM 0 HB2 PRO A 87 -13.627 5.197 -6.722 1.00 1.78 H new ATOM 0 HB3 PRO A 87 -12.193 4.979 -7.705 1.00 1.78 H new ATOM 0 HG2 PRO A 87 -12.628 4.136 -4.799 1.00 1.71 H new ATOM 0 HG3 PRO A 87 -11.922 3.200 -6.102 1.00 1.71 H new ATOM 0 HD2 PRO A 87 -10.315 4.510 -4.345 1.00 1.59 H new ATOM 0 HD3 PRO A 87 -9.863 4.395 -6.035 1.00 1.59 H new ATOM 1449 N TYR A 88 -12.970 7.363 -4.037 1.00 1.63 N ATOM 1450 CA TYR A 88 -13.991 8.020 -3.198 1.00 1.66 C ATOM 1451 C TYR A 88 -13.542 9.357 -2.580 1.00 1.59 C ATOM 1452 O TYR A 88 -14.362 10.266 -2.486 1.00 1.64 O ATOM 1453 CB TYR A 88 -14.578 7.028 -2.173 1.00 1.68 C ATOM 1454 CG TYR A 88 -15.970 6.504 -2.524 1.00 1.80 C ATOM 1455 CD1 TYR A 88 -16.306 6.154 -3.851 1.00 1.89 C ATOM 1456 CD2 TYR A 88 -16.943 6.371 -1.513 1.00 1.84 C ATOM 1457 CE1 TYR A 88 -17.597 5.681 -4.161 1.00 2.01 C ATOM 1458 CE2 TYR A 88 -18.239 5.908 -1.820 1.00 1.97 C ATOM 1459 CZ TYR A 88 -18.568 5.559 -3.146 1.00 2.05 C ATOM 1460 OH TYR A 88 -19.814 5.101 -3.453 1.00 2.17 O ATOM 0 H TYR A 88 -12.198 6.958 -3.507 1.00 1.63 H new ATOM 0 HA TYR A 88 -14.800 8.315 -3.866 1.00 1.66 H new ATOM 0 HB2 TYR A 88 -13.899 6.181 -2.076 1.00 1.68 H new ATOM 0 HB3 TYR A 88 -14.622 7.515 -1.199 1.00 1.68 H new ATOM 0 HD1 TYR A 88 -15.568 6.250 -4.634 1.00 1.89 H new ATOM 0 HD2 TYR A 88 -16.694 6.626 -0.494 1.00 1.84 H new ATOM 0 HE1 TYR A 88 -17.843 5.412 -5.178 1.00 2.01 H new ATOM 0 HE2 TYR A 88 -18.980 5.821 -1.039 1.00 1.97 H new ATOM 0 HH TYR A 88 -20.362 5.076 -2.641 1.00 2.17 H new ATOM 1470 N GLU A 89 -12.252 9.588 -2.298 1.00 1.50 N ATOM 1471 CA GLU A 89 -11.751 10.941 -1.962 1.00 1.46 C ATOM 1472 C GLU A 89 -12.045 11.967 -3.085 1.00 1.53 C ATOM 1473 O GLU A 89 -12.037 13.176 -2.854 1.00 1.55 O ATOM 1474 CB GLU A 89 -10.255 10.939 -1.576 1.00 1.36 C ATOM 1475 CG GLU A 89 -9.280 10.649 -2.731 1.00 1.35 C ATOM 1476 CD GLU A 89 -7.823 10.973 -2.342 1.00 1.27 C ATOM 1477 OE1 GLU A 89 -7.185 10.176 -1.615 1.00 1.21 O ATOM 1478 OE2 GLU A 89 -7.305 12.033 -2.781 1.00 1.29 O ATOM 0 H GLU A 89 -11.534 8.863 -2.294 1.00 1.50 H new ATOM 0 HA GLU A 89 -12.305 11.259 -1.079 1.00 1.46 H new ATOM 0 HB2 GLU A 89 -10.006 11.909 -1.147 1.00 1.36 H new ATOM 0 HB3 GLU A 89 -10.099 10.195 -0.795 1.00 1.36 H new ATOM 0 HG2 GLU A 89 -9.356 9.600 -3.017 1.00 1.35 H new ATOM 0 HG3 GLU A 89 -9.563 11.238 -3.603 1.00 1.35 H new ATOM 1485 N ARG A 90 -12.396 11.452 -4.273 1.00 1.61 N ATOM 1486 CA ARG A 90 -12.922 12.267 -5.376 1.00 1.71 C ATOM 1487 C ARG A 90 -14.105 13.170 -4.977 1.00 1.78 C ATOM 1488 O ARG A 90 -14.169 14.297 -5.468 1.00 1.83 O ATOM 1489 CB ARG A 90 -13.273 11.323 -6.543 1.00 1.78 C ATOM 1490 CG ARG A 90 -13.546 12.068 -7.855 1.00 1.89 C ATOM 1491 CD ARG A 90 -13.722 11.074 -9.010 1.00 1.97 C ATOM 1492 NE ARG A 90 -13.943 11.770 -10.293 1.00 2.08 N ATOM 1493 CZ ARG A 90 -13.934 11.227 -11.498 1.00 2.16 C ATOM 1494 NH1 ARG A 90 -13.736 9.951 -11.685 1.00 2.15 N ATOM 1495 NH2 ARG A 90 -14.128 11.964 -12.553 1.00 2.25 N ATOM 0 H ARG A 90 -12.323 10.459 -4.495 1.00 1.61 H new ATOM 0 HA ARG A 90 -12.149 12.972 -5.683 1.00 1.71 H new ATOM 0 HB2 ARG A 90 -12.453 10.621 -6.694 1.00 1.78 H new ATOM 0 HB3 ARG A 90 -14.151 10.735 -6.276 1.00 1.78 H new ATOM 0 HG2 ARG A 90 -14.443 12.679 -7.753 1.00 1.89 H new ATOM 0 HG3 ARG A 90 -12.721 12.746 -8.073 1.00 1.89 H new ATOM 0 HD2 ARG A 90 -12.837 10.442 -9.085 1.00 1.97 H new ATOM 0 HD3 ARG A 90 -14.566 10.417 -8.801 1.00 1.97 H new ATOM 0 HE ARG A 90 -14.121 12.773 -10.245 1.00 2.08 H new ATOM 0 HH11 ARG A 90 -13.581 9.336 -10.886 1.00 2.15 H new ATOM 0 HH12 ARG A 90 -13.736 9.568 -12.630 1.00 2.15 H new ATOM 0 HH21 ARG A 90 -14.288 12.966 -12.452 1.00 2.25 H new ATOM 0 HH22 ARG A 90 -14.120 11.539 -13.480 1.00 2.25 H new ATOM 1509 N PHE A 91 -14.992 12.757 -4.058 1.00 1.78 N ATOM 1510 CA PHE A 91 -16.034 13.663 -3.529 1.00 1.84 C ATOM 1511 C PHE A 91 -15.484 14.693 -2.523 1.00 1.78 C ATOM 1512 O PHE A 91 -15.999 15.808 -2.446 1.00 1.84 O ATOM 1513 CB PHE A 91 -17.252 12.898 -2.965 1.00 1.89 C ATOM 1514 CG PHE A 91 -17.072 12.120 -1.668 1.00 1.82 C ATOM 1515 CD1 PHE A 91 -16.945 12.790 -0.432 1.00 1.77 C ATOM 1516 CD2 PHE A 91 -17.086 10.711 -1.682 1.00 1.81 C ATOM 1517 CE1 PHE A 91 -16.731 12.061 0.753 1.00 1.71 C ATOM 1518 CE2 PHE A 91 -16.861 9.986 -0.501 1.00 1.76 C ATOM 1519 CZ PHE A 91 -16.652 10.661 0.708 1.00 1.70 C ATOM 0 H PHE A 91 -15.013 11.815 -3.667 1.00 1.78 H new ATOM 0 HA PHE A 91 -16.389 14.234 -4.387 1.00 1.84 H new ATOM 0 HB2 PHE A 91 -18.057 13.617 -2.813 1.00 1.89 H new ATOM 0 HB3 PHE A 91 -17.590 12.198 -3.730 1.00 1.89 H new ATOM 0 HD1 PHE A 91 -17.012 13.867 -0.395 1.00 1.77 H new ATOM 0 HD2 PHE A 91 -17.271 10.185 -2.607 1.00 1.81 H new ATOM 0 HE1 PHE A 91 -16.628 12.579 1.695 1.00 1.71 H new ATOM 0 HE2 PHE A 91 -16.849 8.906 -0.525 1.00 1.76 H new ATOM 0 HZ PHE A 91 -16.430 10.104 1.606 1.00 1.70 H new ATOM 1529 N ILE A 92 -14.406 14.366 -1.798 1.00 1.67 N ATOM 1530 CA ILE A 92 -13.797 15.296 -0.823 1.00 1.62 C ATOM 1531 C ILE A 92 -13.022 16.391 -1.568 1.00 1.64 C ATOM 1532 O ILE A 92 -13.111 17.573 -1.243 1.00 1.69 O ATOM 1533 CB ILE A 92 -12.864 14.532 0.156 1.00 1.52 C ATOM 1534 CG1 ILE A 92 -13.603 13.355 0.837 1.00 1.51 C ATOM 1535 CG2 ILE A 92 -12.298 15.495 1.218 1.00 1.49 C ATOM 1536 CD1 ILE A 92 -12.728 12.468 1.731 1.00 1.43 C ATOM 0 H ILE A 92 -13.933 13.465 -1.865 1.00 1.67 H new ATOM 0 HA ILE A 92 -14.589 15.761 -0.236 1.00 1.62 H new ATOM 0 HB ILE A 92 -12.038 14.118 -0.423 1.00 1.52 H new ATOM 0 HG12 ILE A 92 -14.419 13.757 1.438 1.00 1.51 H new ATOM 0 HG13 ILE A 92 -14.053 12.733 0.064 1.00 1.51 H new ATOM 0 HG21 ILE A 92 -11.646 14.945 1.897 1.00 1.49 H new ATOM 0 HG22 ILE A 92 -11.728 16.284 0.727 1.00 1.49 H new ATOM 0 HG23 ILE A 92 -13.119 15.938 1.782 1.00 1.49 H new ATOM 0 HD11 ILE A 92 -13.337 11.673 2.162 1.00 1.43 H new ATOM 0 HD12 ILE A 92 -11.927 12.030 1.136 1.00 1.43 H new ATOM 0 HD13 ILE A 92 -12.298 13.070 2.531 1.00 1.43 H new ATOM 1548 N LYS A 93 -12.305 15.987 -2.618 1.00 1.63 N ATOM 1549 CA LYS A 93 -11.387 16.868 -3.352 1.00 1.66 C ATOM 1550 C LYS A 93 -12.041 17.552 -4.562 1.00 1.78 C ATOM 1551 O LYS A 93 -11.421 18.398 -5.209 1.00 1.82 O ATOM 1552 CB LYS A 93 -10.189 15.987 -3.737 1.00 1.58 C ATOM 1553 CG LYS A 93 -8.913 16.775 -4.053 1.00 1.58 C ATOM 1554 CD LYS A 93 -7.687 15.861 -3.953 1.00 1.49 C ATOM 1555 CE LYS A 93 -7.710 14.738 -4.999 1.00 1.50 C ATOM 1556 NZ LYS A 93 -6.579 13.807 -4.794 1.00 1.41 N ATOM 0 H LYS A 93 -12.343 15.037 -2.987 1.00 1.63 H new ATOM 0 HA LYS A 93 -11.075 17.708 -2.731 1.00 1.66 H new ATOM 0 HB2 LYS A 93 -9.983 15.294 -2.921 1.00 1.58 H new ATOM 0 HB3 LYS A 93 -10.457 15.386 -4.606 1.00 1.58 H new ATOM 0 HG2 LYS A 93 -8.978 17.200 -5.055 1.00 1.58 H new ATOM 0 HG3 LYS A 93 -8.811 17.609 -3.359 1.00 1.58 H new ATOM 0 HD2 LYS A 93 -6.782 16.455 -4.081 1.00 1.49 H new ATOM 0 HD3 LYS A 93 -7.643 15.424 -2.955 1.00 1.49 H new ATOM 0 HE2 LYS A 93 -8.652 14.193 -4.934 1.00 1.50 H new ATOM 0 HE3 LYS A 93 -7.658 15.166 -6.000 1.00 1.50 H new ATOM 0 HZ1 LYS A 93 -6.533 13.136 -5.588 1.00 1.41 H new ATOM 0 HZ2 LYS A 93 -5.691 14.346 -4.744 1.00 1.41 H new ATOM 0 HZ3 LYS A 93 -6.717 13.284 -3.906 1.00 1.41 H new ATOM 1570 N GLY A 94 -13.304 17.207 -4.830 1.00 1.84 N ATOM 1571 CA GLY A 94 -14.077 17.781 -5.934 1.00 1.97 C ATOM 1572 C GLY A 94 -15.355 18.504 -5.493 1.00 2.05 C ATOM 1573 O GLY A 94 -15.867 19.319 -6.259 1.00 2.15 O ATOM 0 H GLY A 94 -13.821 16.518 -4.284 1.00 1.84 H new ATOM 0 HA2 GLY A 94 -13.446 18.482 -6.480 1.00 1.97 H new ATOM 0 HA3 GLY A 94 -14.344 16.985 -6.629 1.00 1.97 H new ATOM 1577 N GLU A 95 -15.857 18.259 -4.272 1.00 2.00 N ATOM 1578 CA GLU A 95 -17.125 18.834 -3.773 1.00 2.08 C ATOM 1579 C GLU A 95 -17.100 19.226 -2.278 1.00 2.02 C ATOM 1580 O GLU A 95 -18.148 19.348 -1.636 1.00 2.07 O ATOM 1581 CB GLU A 95 -18.310 17.889 -4.084 1.00 2.13 C ATOM 1582 CG GLU A 95 -18.513 17.576 -5.573 1.00 2.21 C ATOM 1583 CD GLU A 95 -19.799 16.760 -5.796 1.00 2.29 C ATOM 1584 OE1 GLU A 95 -20.884 17.363 -5.994 1.00 2.40 O ATOM 1585 OE2 GLU A 95 -19.738 15.505 -5.791 1.00 2.26 O ATOM 0 H GLU A 95 -15.394 17.652 -3.595 1.00 2.00 H new ATOM 0 HA GLU A 95 -17.260 19.772 -4.312 1.00 2.08 H new ATOM 0 HB2 GLU A 95 -18.159 16.952 -3.548 1.00 2.13 H new ATOM 0 HB3 GLU A 95 -19.224 18.336 -3.694 1.00 2.13 H new ATOM 0 HG2 GLU A 95 -18.565 18.506 -6.140 1.00 2.21 H new ATOM 0 HG3 GLU A 95 -17.655 17.020 -5.951 1.00 2.21 H new ATOM 1592 N GLU A 96 -15.911 19.466 -1.712 1.00 1.94 N ATOM 1593 CA GLU A 96 -15.749 19.968 -0.334 1.00 1.90 C ATOM 1594 C GLU A 96 -14.466 20.798 -0.099 1.00 1.87 C ATOM 1595 O GLU A 96 -14.537 21.880 0.484 1.00 1.92 O ATOM 1596 CB GLU A 96 -15.828 18.794 0.666 1.00 1.82 C ATOM 1597 CG GLU A 96 -15.955 19.275 2.116 1.00 1.81 C ATOM 1598 CD GLU A 96 -16.188 18.094 3.078 1.00 1.76 C ATOM 1599 OE1 GLU A 96 -17.366 17.729 3.321 1.00 1.81 O ATOM 1600 OE2 GLU A 96 -15.201 17.537 3.616 1.00 1.68 O ATOM 0 H GLU A 96 -15.026 19.318 -2.197 1.00 1.94 H new ATOM 0 HA GLU A 96 -16.573 20.662 -0.169 1.00 1.90 H new ATOM 0 HB2 GLU A 96 -16.683 18.165 0.418 1.00 1.82 H new ATOM 0 HB3 GLU A 96 -14.937 18.175 0.567 1.00 1.82 H new ATOM 0 HG2 GLU A 96 -15.050 19.809 2.405 1.00 1.81 H new ATOM 0 HG3 GLU A 96 -16.781 19.981 2.196 1.00 1.81 H new ATOM 1607 N ASP A 97 -13.319 20.281 -0.517 1.00 1.80 N ATOM 1608 CA ASP A 97 -12.060 20.991 -0.331 1.00 1.78 C ATOM 1609 C ASP A 97 -11.061 20.629 -1.420 1.00 1.87 C ATOM 1610 O ASP A 97 -10.796 19.453 -1.667 1.00 2.33 O ATOM 1611 CB ASP A 97 -11.464 20.680 1.046 1.00 1.78 C ATOM 1612 CG ASP A 97 -10.185 21.452 1.311 1.00 2.14 C ATOM 1613 OD1 ASP A 97 -10.253 22.696 1.416 1.00 2.70 O ATOM 1614 OD2 ASP A 97 -9.115 20.815 1.412 1.00 2.20 O ATOM 0 H ASP A 97 -13.233 19.378 -0.984 1.00 1.80 H new ATOM 0 HA ASP A 97 -12.269 22.059 -0.395 1.00 1.78 H new ATOM 0 HB2 ASP A 97 -12.196 20.919 1.818 1.00 1.78 H new ATOM 0 HB3 ASP A 97 -11.262 19.611 1.118 1.00 1.78 H new