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= -0.366 F(o=-2.8!,f=-0.55) USER MOD Set 1.2: A 59 HIS :FLIP no HD1:sc= -0.186 X(o=-0.9,f=-0.55) USER MOD Set 2.1: A 12 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 16 LYS NZ :NH3+ 172:sc= 1.26 (180deg=1.16) USER MOD Single : A 1 ARG N :NH3+ -161:sc= 1.08 (180deg=0.57) USER MOD Single : A 5 GLN : amide:sc= 1.25 K(o=1.3,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= 0.0158 USER MOD Single : A 15 MET CE :methyl 175:sc= -0.653 (180deg=-0.703) 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 -2:sc= 0.0104 USER MOD Single : A 38 MET CE :methyl 176:sc= -0.829 (180deg=-0.903) USER MOD Single : A 40 GLN : amide:sc= 0.284 X(o=0.28,f=0) USER MOD Single : A 43 GLN : amide:sc= -0.167 X(o=-0.17,f=-0.17) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 91:sc= 0.564 USER MOD Single : A 52 THR OG1 : rot 77:sc= 0.612 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 20:sc= 0.194 USER MOD Single : A 80 HIS : no HD1:sc= -0.466 X(o=-0.47,f=-0.05) USER MOD Single : A 81 TYR OH : rot 12:sc= 1.29 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -154:sc= 1.28 (180deg=1) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -13.920 10.562 13.285 1.00 1.75 N ATOM 2 CA ARG A 1 -14.094 9.088 13.412 1.00 1.74 C ATOM 3 C ARG A 1 -15.426 8.586 12.845 1.00 1.77 C ATOM 4 O ARG A 1 -15.454 7.764 11.920 1.00 1.74 O ATOM 5 CB ARG A 1 -13.839 8.632 14.870 1.00 1.77 C ATOM 6 CG ARG A 1 -13.798 7.104 15.067 1.00 1.77 C ATOM 7 CD ARG A 1 -15.137 6.532 15.560 1.00 1.83 C ATOM 8 NE ARG A 1 -15.099 5.063 15.620 1.00 1.84 N ATOM 9 CZ ARG A 1 -14.729 4.286 16.615 1.00 1.86 C ATOM 10 NH1 ARG A 1 -14.310 4.747 17.757 1.00 1.89 N ATOM 11 NH2 ARG A 1 -14.781 3.000 16.446 1.00 1.87 N ATOM 0 H1 ARG A 1 -12.912 10.802 13.377 1.00 1.75 H new ATOM 0 H2 ARG A 1 -14.267 10.874 12.355 1.00 1.75 H new ATOM 0 H3 ARG A 1 -14.460 11.041 14.034 1.00 1.75 H new ATOM 0 HA ARG A 1 -13.337 8.615 12.786 1.00 1.74 H new ATOM 0 HB2 ARG A 1 -12.893 9.054 15.208 1.00 1.77 H new ATOM 0 HB3 ARG A 1 -14.619 9.047 15.508 1.00 1.77 H new ATOM 0 HG2 ARG A 1 -13.529 6.628 14.124 1.00 1.77 H new ATOM 0 HG3 ARG A 1 -13.016 6.855 15.784 1.00 1.77 H new ATOM 0 HD2 ARG A 1 -15.365 6.933 16.548 1.00 1.83 H new ATOM 0 HD3 ARG A 1 -15.939 6.851 14.894 1.00 1.83 H new ATOM 0 HE ARG A 1 -15.401 4.580 14.774 1.00 1.84 H new ATOM 0 HH11 ARG A 1 -14.257 5.754 17.912 1.00 1.89 H new ATOM 0 HH12 ARG A 1 -14.034 4.102 18.497 1.00 1.89 H new ATOM 0 HH21 ARG A 1 -15.103 2.615 15.558 1.00 1.87 H new ATOM 0 HH22 ARG A 1 -14.500 2.375 17.201 1.00 1.87 H new ATOM 27 N ALA A 2 -16.541 9.042 13.425 1.00 1.84 N ATOM 28 CA ALA A 2 -17.861 8.474 13.134 1.00 1.89 C ATOM 29 C ALA A 2 -18.320 8.691 11.684 1.00 1.88 C ATOM 30 O ALA A 2 -18.905 7.795 11.082 1.00 1.89 O ATOM 31 CB ALA A 2 -18.868 9.053 14.135 1.00 1.97 C ATOM 0 H ALA A 2 -16.555 9.806 14.101 1.00 1.84 H new ATOM 0 HA ALA A 2 -17.795 7.392 13.245 1.00 1.89 H new ATOM 0 HB1 ALA A 2 -19.857 8.642 13.935 1.00 1.97 H new ATOM 0 HB2 ALA A 2 -18.565 8.791 15.149 1.00 1.97 H new ATOM 0 HB3 ALA A 2 -18.899 10.138 14.034 1.00 1.97 H new ATOM 37 N ASP A 3 -18.009 9.851 11.100 1.00 1.87 N ATOM 38 CA ASP A 3 -18.364 10.152 9.709 1.00 1.88 C ATOM 39 C ASP A 3 -17.506 9.384 8.688 1.00 1.81 C ATOM 40 O ASP A 3 -18.021 8.995 7.642 1.00 1.82 O ATOM 41 CB ASP A 3 -18.238 11.664 9.490 1.00 1.90 C ATOM 42 CG ASP A 3 -18.794 12.104 8.124 1.00 1.92 C ATOM 43 OD1 ASP A 3 -20.026 11.996 7.912 1.00 1.98 O ATOM 44 OD2 ASP A 3 -18.011 12.601 7.280 1.00 1.89 O ATOM 0 H ASP A 3 -17.508 10.603 11.573 1.00 1.87 H new ATOM 0 HA ASP A 3 -19.390 9.824 9.544 1.00 1.88 H new ATOM 0 HB2 ASP A 3 -18.770 12.189 10.283 1.00 1.90 H new ATOM 0 HB3 ASP A 3 -17.190 11.954 9.564 1.00 1.90 H new ATOM 49 N GLU A 4 -16.241 9.080 9.019 1.00 1.74 N ATOM 50 CA GLU A 4 -15.403 8.232 8.160 1.00 1.68 C ATOM 51 C GLU A 4 -15.955 6.807 8.168 1.00 1.69 C ATOM 52 O GLU A 4 -16.167 6.212 7.113 1.00 1.68 O ATOM 53 CB GLU A 4 -13.944 8.218 8.642 1.00 1.62 C ATOM 54 CG GLU A 4 -13.282 9.602 8.697 1.00 1.61 C ATOM 55 CD GLU A 4 -13.347 10.197 10.114 1.00 1.65 C ATOM 56 OE1 GLU A 4 -14.435 10.631 10.567 1.00 1.71 O ATOM 57 OE2 GLU A 4 -12.323 10.187 10.833 1.00 1.62 O ATOM 0 H GLU A 4 -15.780 9.406 9.868 1.00 1.74 H new ATOM 0 HA GLU A 4 -15.423 8.640 7.149 1.00 1.68 H new ATOM 0 HB2 GLU A 4 -13.906 7.771 9.635 1.00 1.62 H new ATOM 0 HB3 GLU A 4 -13.362 7.576 7.981 1.00 1.62 H new ATOM 0 HG2 GLU A 4 -12.242 9.523 8.381 1.00 1.61 H new ATOM 0 HG3 GLU A 4 -13.778 10.273 7.996 1.00 1.61 H new ATOM 64 N GLN A 5 -16.286 6.288 9.358 1.00 1.72 N ATOM 65 CA GLN A 5 -16.918 4.972 9.453 1.00 1.75 C ATOM 66 C GLN A 5 -18.264 4.921 8.712 1.00 1.81 C ATOM 67 O GLN A 5 -18.471 4.021 7.899 1.00 1.81 O ATOM 68 CB GLN A 5 -17.041 4.496 10.908 1.00 1.78 C ATOM 69 CG GLN A 5 -15.666 4.127 11.501 1.00 1.73 C ATOM 70 CD GLN A 5 -15.757 2.952 12.470 1.00 1.77 C ATOM 71 OE1 GLN A 5 -15.711 3.100 13.686 1.00 1.80 O ATOM 72 NE2 GLN A 5 -15.893 1.739 11.979 1.00 1.77 N ATOM 0 H GLN A 5 -16.129 6.752 10.252 1.00 1.72 H new ATOM 0 HA GLN A 5 -16.256 4.269 8.947 1.00 1.75 H new ATOM 0 HB2 GLN A 5 -17.500 5.280 11.511 1.00 1.78 H new ATOM 0 HB3 GLN A 5 -17.702 3.631 10.954 1.00 1.78 H new ATOM 0 HG2 GLN A 5 -14.978 3.878 10.693 1.00 1.73 H new ATOM 0 HG3 GLN A 5 -15.251 4.992 12.018 1.00 1.73 H new ATOM 0 HE21 GLN A 5 -15.933 1.599 10.969 1.00 1.77 H new ATOM 0 HE22 GLN A 5 -15.959 0.939 12.608 1.00 1.77 H new ATOM 81 N ALA A 6 -19.140 5.914 8.887 1.00 1.86 N ATOM 82 CA ALA A 6 -20.391 6.011 8.132 1.00 1.92 C ATOM 83 C ALA A 6 -20.155 6.026 6.608 1.00 1.90 C ATOM 84 O ALA A 6 -20.750 5.223 5.882 1.00 1.92 O ATOM 85 CB ALA A 6 -21.161 7.250 8.602 1.00 1.98 C ATOM 0 H ALA A 6 -19.002 6.672 9.555 1.00 1.86 H new ATOM 0 HA ALA A 6 -20.989 5.121 8.328 1.00 1.92 H new ATOM 0 HB1 ALA A 6 -22.095 7.331 8.045 1.00 1.98 H new ATOM 0 HB2 ALA A 6 -21.380 7.161 9.666 1.00 1.98 H new ATOM 0 HB3 ALA A 6 -20.557 8.141 8.429 1.00 1.98 H new ATOM 91 N PHE A 7 -19.234 6.862 6.111 1.00 1.85 N ATOM 92 CA PHE A 7 -18.935 6.916 4.678 1.00 1.83 C ATOM 93 C PHE A 7 -18.111 5.721 4.171 1.00 1.77 C ATOM 94 O PHE A 7 -18.141 5.455 2.964 1.00 1.78 O ATOM 95 CB PHE A 7 -18.405 8.305 4.261 1.00 1.82 C ATOM 96 CG PHE A 7 -16.923 8.647 4.372 1.00 1.75 C ATOM 97 CD1 PHE A 7 -15.967 7.979 3.579 1.00 1.69 C ATOM 98 CD2 PHE A 7 -16.517 9.782 5.106 1.00 1.75 C ATOM 99 CE1 PHE A 7 -14.633 8.413 3.549 1.00 1.63 C ATOM 100 CE2 PHE A 7 -15.177 10.208 5.092 1.00 1.69 C ATOM 101 CZ PHE A 7 -14.230 9.519 4.317 1.00 1.63 C ATOM 0 H PHE A 7 -18.686 7.507 6.680 1.00 1.85 H new ATOM 0 HA PHE A 7 -19.880 6.796 4.148 1.00 1.83 H new ATOM 0 HB2 PHE A 7 -18.690 8.456 3.220 1.00 1.82 H new ATOM 0 HB3 PHE A 7 -18.948 9.044 4.850 1.00 1.82 H new ATOM 0 HD1 PHE A 7 -16.265 7.125 2.989 1.00 1.69 H new ATOM 0 HD2 PHE A 7 -17.245 10.330 5.686 1.00 1.75 H new ATOM 0 HE1 PHE A 7 -13.913 7.895 2.933 1.00 1.63 H new ATOM 0 HE2 PHE A 7 -14.876 11.065 5.677 1.00 1.69 H new ATOM 0 HZ PHE A 7 -13.198 9.837 4.311 1.00 1.63 H new ATOM 111 N LEU A 8 -17.492 4.918 5.059 1.00 1.73 N ATOM 112 CA LEU A 8 -16.869 3.673 4.582 1.00 1.69 C ATOM 113 C LEU A 8 -17.830 2.481 4.698 1.00 1.75 C ATOM 114 O LEU A 8 -17.608 1.469 4.043 1.00 1.73 O ATOM 115 CB LEU A 8 -15.547 3.423 5.334 1.00 1.63 C ATOM 116 CG LEU A 8 -14.292 3.450 4.447 1.00 1.56 C ATOM 117 CD1 LEU A 8 -14.198 2.170 3.627 1.00 1.55 C ATOM 118 CD2 LEU A 8 -14.183 4.680 3.539 1.00 1.55 C ATOM 0 H LEU A 8 -17.412 5.097 6.060 1.00 1.73 H new ATOM 0 HA LEU A 8 -16.640 3.783 3.522 1.00 1.69 H new ATOM 0 HB2 LEU A 8 -15.440 4.176 6.115 1.00 1.63 H new ATOM 0 HB3 LEU A 8 -15.604 2.454 5.831 1.00 1.63 H new ATOM 0 HG LEU A 8 -13.447 3.519 5.132 1.00 1.56 H new ATOM 0 HD11 LEU A 8 -13.305 2.202 3.003 1.00 1.55 H new ATOM 0 HD12 LEU A 8 -14.142 1.312 4.297 1.00 1.55 H new ATOM 0 HD13 LEU A 8 -15.080 2.078 2.993 1.00 1.55 H new ATOM 0 HD21 LEU A 8 -13.269 4.617 2.949 1.00 1.55 H new ATOM 0 HD22 LEU A 8 -15.044 4.717 2.871 1.00 1.55 H new ATOM 0 HD23 LEU A 8 -14.159 5.582 4.150 1.00 1.55 H new ATOM 130 N VAL A 9 -18.922 2.597 5.470 1.00 1.81 N ATOM 131 CA VAL A 9 -20.029 1.623 5.413 1.00 1.87 C ATOM 132 C VAL A 9 -20.846 1.859 4.135 1.00 1.92 C ATOM 133 O VAL A 9 -21.228 0.903 3.450 1.00 1.94 O ATOM 134 CB VAL A 9 -20.904 1.693 6.684 1.00 1.93 C ATOM 135 CG1 VAL A 9 -22.226 0.922 6.557 1.00 2.01 C ATOM 136 CG2 VAL A 9 -20.148 1.086 7.874 1.00 1.91 C ATOM 0 H VAL A 9 -19.064 3.353 6.140 1.00 1.81 H new ATOM 0 HA VAL A 9 -19.619 0.613 5.379 1.00 1.87 H new ATOM 0 HB VAL A 9 -21.126 2.750 6.830 1.00 1.93 H new ATOM 0 HG11 VAL A 9 -22.791 1.013 7.485 1.00 2.01 H new ATOM 0 HG12 VAL A 9 -22.810 1.335 5.734 1.00 2.01 H new ATOM 0 HG13 VAL A 9 -22.017 -0.130 6.362 1.00 2.01 H new ATOM 0 HG21 VAL A 9 -20.772 1.139 8.766 1.00 1.91 H new ATOM 0 HG22 VAL A 9 -19.909 0.044 7.660 1.00 1.91 H new ATOM 0 HG23 VAL A 9 -19.226 1.643 8.042 1.00 1.91 H new ATOM 146 N ALA A 10 -21.036 3.123 3.747 1.00 1.93 N ATOM 147 CA ALA A 10 -21.601 3.465 2.442 1.00 1.97 C ATOM 148 C ALA A 10 -20.708 2.985 1.279 1.00 1.92 C ATOM 149 O ALA A 10 -21.220 2.350 0.348 1.00 1.96 O ATOM 150 CB ALA A 10 -21.838 4.980 2.389 1.00 1.99 C ATOM 0 H ALA A 10 -20.804 3.931 4.324 1.00 1.93 H new ATOM 0 HA ALA A 10 -22.552 2.946 2.320 1.00 1.97 H new ATOM 0 HB1 ALA A 10 -22.259 5.249 1.420 1.00 1.99 H new ATOM 0 HB2 ALA A 10 -22.532 5.268 3.179 1.00 1.99 H new ATOM 0 HB3 ALA A 10 -20.891 5.502 2.530 1.00 1.99 H new ATOM 156 N LEU A 11 -19.380 3.200 1.356 1.00 1.84 N ATOM 157 CA LEU A 11 -18.465 2.570 0.397 1.00 1.80 C ATOM 158 C LEU A 11 -18.541 1.048 0.464 1.00 1.80 C ATOM 159 O LEU A 11 -18.587 0.438 -0.592 1.00 1.82 O ATOM 160 CB LEU A 11 -17.006 3.020 0.555 1.00 1.71 C ATOM 161 CG LEU A 11 -16.062 2.346 -0.477 1.00 1.67 C ATOM 162 CD1 LEU A 11 -16.381 2.683 -1.935 1.00 1.71 C ATOM 163 CD2 LEU A 11 -14.626 2.782 -0.231 1.00 1.59 C ATOM 0 H LEU A 11 -18.930 3.791 2.055 1.00 1.84 H new ATOM 0 HA LEU A 11 -18.804 2.907 -0.583 1.00 1.80 H new ATOM 0 HB2 LEU A 11 -16.949 4.103 0.442 1.00 1.71 H new ATOM 0 HB3 LEU A 11 -16.664 2.786 1.563 1.00 1.71 H new ATOM 0 HG LEU A 11 -16.207 1.275 -0.333 1.00 1.67 H new ATOM 0 HD11 LEU A 11 -15.675 2.172 -2.589 1.00 1.71 H new ATOM 0 HD12 LEU A 11 -17.395 2.358 -2.170 1.00 1.71 H new ATOM 0 HD13 LEU A 11 -16.301 3.760 -2.085 1.00 1.71 H new ATOM 0 HD21 LEU A 11 -13.971 2.304 -0.959 1.00 1.59 H new ATOM 0 HD22 LEU A 11 -14.552 3.865 -0.332 1.00 1.59 H new ATOM 0 HD23 LEU A 11 -14.324 2.490 0.775 1.00 1.59 H new ATOM 175 N TYR A 12 -18.579 0.416 1.639 1.00 1.80 N ATOM 176 CA TYR A 12 -18.675 -1.044 1.753 1.00 1.81 C ATOM 177 C TYR A 12 -19.864 -1.594 0.960 1.00 1.89 C ATOM 178 O TYR A 12 -19.685 -2.536 0.184 1.00 1.89 O ATOM 179 CB TYR A 12 -18.735 -1.486 3.221 1.00 1.82 C ATOM 180 CG TYR A 12 -19.160 -2.930 3.427 1.00 1.86 C ATOM 181 CD1 TYR A 12 -18.421 -3.978 2.845 1.00 1.84 C ATOM 182 CD2 TYR A 12 -20.338 -3.218 4.148 1.00 1.94 C ATOM 183 CE1 TYR A 12 -18.862 -5.312 2.972 1.00 1.89 C ATOM 184 CE2 TYR A 12 -20.775 -4.548 4.285 1.00 1.99 C ATOM 185 CZ TYR A 12 -20.041 -5.600 3.694 1.00 1.96 C ATOM 186 OH TYR A 12 -20.471 -6.886 3.810 1.00 2.02 O ATOM 0 H TYR A 12 -18.544 0.899 2.537 1.00 1.80 H new ATOM 0 HA TYR A 12 -17.769 -1.464 1.317 1.00 1.81 H new ATOM 0 HB2 TYR A 12 -17.753 -1.342 3.671 1.00 1.82 H new ATOM 0 HB3 TYR A 12 -19.429 -0.837 3.755 1.00 1.82 H new ATOM 0 HD1 TYR A 12 -17.514 -3.760 2.300 1.00 1.84 H new ATOM 0 HD2 TYR A 12 -20.905 -2.416 4.596 1.00 1.94 H new ATOM 0 HE1 TYR A 12 -18.298 -6.113 2.517 1.00 1.89 H new ATOM 0 HE2 TYR A 12 -21.674 -4.765 4.843 1.00 1.99 H new ATOM 0 HH TYR A 12 -21.296 -6.909 4.339 1.00 2.02 H new ATOM 196 N LYS A 13 -21.043 -0.965 1.071 1.00 1.95 N ATOM 197 CA LYS A 13 -22.187 -1.311 0.218 1.00 2.03 C ATOM 198 C LYS A 13 -21.876 -1.086 -1.262 1.00 2.02 C ATOM 199 O LYS A 13 -21.957 -2.048 -2.033 1.00 2.05 O ATOM 200 CB LYS A 13 -23.442 -0.563 0.702 1.00 2.10 C ATOM 201 CG LYS A 13 -24.706 -1.018 -0.046 1.00 2.18 C ATOM 202 CD LYS A 13 -25.981 -0.301 0.431 1.00 2.25 C ATOM 203 CE LYS A 13 -26.349 -0.666 1.876 1.00 2.27 C ATOM 204 NZ LYS A 13 -27.630 -0.031 2.290 1.00 2.34 N ATOM 0 H LYS A 13 -21.228 -0.218 1.740 1.00 1.95 H new ATOM 0 HA LYS A 13 -22.392 -2.378 0.307 1.00 2.03 H new ATOM 0 HB2 LYS A 13 -23.574 -0.729 1.771 1.00 2.10 H new ATOM 0 HB3 LYS A 13 -23.303 0.509 0.561 1.00 2.10 H new ATOM 0 HG2 LYS A 13 -24.574 -0.839 -1.113 1.00 2.18 H new ATOM 0 HG3 LYS A 13 -24.831 -2.093 0.084 1.00 2.18 H new ATOM 0 HD2 LYS A 13 -25.839 0.777 0.356 1.00 2.25 H new ATOM 0 HD3 LYS A 13 -26.809 -0.560 -0.229 1.00 2.25 H new ATOM 0 HE2 LYS A 13 -26.432 -1.749 1.969 1.00 2.27 H new ATOM 0 HE3 LYS A 13 -25.551 -0.349 2.547 1.00 2.27 H new ATOM 0 HZ1 LYS A 13 -27.849 -0.298 3.271 1.00 2.34 H new ATOM 0 HZ2 LYS A 13 -27.542 1.003 2.224 1.00 2.34 H new ATOM 0 HZ3 LYS A 13 -28.396 -0.354 1.664 1.00 2.34 H new ATOM 218 N TYR A 14 -21.462 0.119 -1.677 1.00 2.00 N ATOM 219 CA TYR A 14 -21.115 0.335 -3.089 1.00 2.00 C ATOM 220 C TYR A 14 -20.030 -0.596 -3.661 1.00 1.95 C ATOM 221 O TYR A 14 -20.175 -1.082 -4.780 1.00 1.99 O ATOM 222 CB TYR A 14 -20.708 1.808 -3.252 1.00 1.98 C ATOM 223 CG TYR A 14 -20.601 2.264 -4.693 1.00 2.01 C ATOM 224 CD1 TYR A 14 -21.769 2.592 -5.408 1.00 2.10 C ATOM 225 CD2 TYR A 14 -19.342 2.352 -5.324 1.00 1.96 C ATOM 226 CE1 TYR A 14 -21.687 3.005 -6.751 1.00 2.14 C ATOM 227 CE2 TYR A 14 -19.256 2.757 -6.672 1.00 1.99 C ATOM 228 CZ TYR A 14 -20.430 3.083 -7.387 1.00 2.09 C ATOM 229 OH TYR A 14 -20.345 3.440 -8.699 1.00 2.13 O ATOM 0 H TYR A 14 -21.361 0.937 -1.076 1.00 2.00 H new ATOM 0 HA TYR A 14 -22.001 0.085 -3.673 1.00 2.00 H new ATOM 0 HB2 TYR A 14 -21.436 2.434 -2.737 1.00 1.98 H new ATOM 0 HB3 TYR A 14 -19.748 1.965 -2.760 1.00 1.98 H new ATOM 0 HD1 TYR A 14 -22.732 2.526 -4.924 1.00 2.10 H new ATOM 0 HD2 TYR A 14 -18.444 2.109 -4.775 1.00 1.96 H new ATOM 0 HE1 TYR A 14 -22.585 3.262 -7.294 1.00 2.14 H new ATOM 0 HE2 TYR A 14 -18.293 2.818 -7.158 1.00 1.99 H new ATOM 0 HH TYR A 14 -19.405 3.444 -8.977 1.00 2.13 H new ATOM 239 N MET A 15 -18.964 -0.893 -2.911 1.00 1.88 N ATOM 240 CA MET A 15 -17.868 -1.737 -3.378 1.00 1.83 C ATOM 241 C MET A 15 -18.250 -3.224 -3.379 1.00 1.86 C ATOM 242 O MET A 15 -17.823 -3.957 -4.273 1.00 1.86 O ATOM 243 CB MET A 15 -16.550 -1.412 -2.665 1.00 1.74 C ATOM 244 CG MET A 15 -16.429 -1.918 -1.228 1.00 1.72 C ATOM 245 SD MET A 15 -15.026 -1.238 -0.293 1.00 1.62 S ATOM 246 CE MET A 15 -13.640 -1.498 -1.437 1.00 1.57 C ATOM 0 H MET A 15 -18.840 -0.551 -1.958 1.00 1.88 H new ATOM 0 HA MET A 15 -17.681 -1.499 -4.425 1.00 1.83 H new ATOM 0 HB2 MET A 15 -15.730 -1.832 -3.248 1.00 1.74 H new ATOM 0 HB3 MET A 15 -16.418 -0.330 -2.662 1.00 1.74 H new ATOM 0 HG2 MET A 15 -17.350 -1.681 -0.696 1.00 1.72 H new ATOM 0 HG3 MET A 15 -16.342 -3.004 -1.247 1.00 1.72 H new ATOM 0 HE1 MET A 15 -12.738 -1.046 -1.024 1.00 1.57 H new ATOM 0 HE2 MET A 15 -13.479 -2.567 -1.577 1.00 1.57 H new ATOM 0 HE3 MET A 15 -13.870 -1.037 -2.398 1.00 1.57 H new ATOM 256 N LYS A 16 -19.133 -3.676 -2.468 1.00 1.90 N ATOM 257 CA LYS A 16 -19.741 -5.014 -2.566 1.00 1.96 C ATOM 258 C LYS A 16 -20.624 -5.134 -3.818 1.00 2.03 C ATOM 259 O LYS A 16 -20.547 -6.136 -4.526 1.00 2.05 O ATOM 260 CB LYS A 16 -20.497 -5.321 -1.264 1.00 1.99 C ATOM 261 CG LYS A 16 -21.025 -6.762 -1.223 1.00 2.05 C ATOM 262 CD LYS A 16 -21.296 -7.202 0.222 1.00 2.07 C ATOM 263 CE LYS A 16 -21.871 -8.623 0.242 1.00 2.13 C ATOM 264 NZ LYS A 16 -21.821 -9.200 1.608 1.00 2.15 N ATOM 0 H LYS A 16 -19.439 -3.135 -1.659 1.00 1.90 H new ATOM 0 HA LYS A 16 -18.961 -5.766 -2.684 1.00 1.96 H new ATOM 0 HB2 LYS A 16 -19.835 -5.155 -0.414 1.00 1.99 H new ATOM 0 HB3 LYS A 16 -21.331 -4.628 -1.159 1.00 1.99 H new ATOM 0 HG2 LYS A 16 -21.942 -6.835 -1.808 1.00 2.05 H new ATOM 0 HG3 LYS A 16 -20.299 -7.433 -1.682 1.00 2.05 H new ATOM 0 HD2 LYS A 16 -20.373 -7.167 0.800 1.00 2.07 H new ATOM 0 HD3 LYS A 16 -21.995 -6.512 0.695 1.00 2.07 H new ATOM 0 HE2 LYS A 16 -22.902 -8.607 -0.112 1.00 2.13 H new ATOM 0 HE3 LYS A 16 -21.309 -9.256 -0.444 1.00 2.13 H new ATOM 0 HZ1 LYS A 16 -22.336 -10.103 1.622 1.00 2.15 H new ATOM 0 HZ2 LYS A 16 -20.830 -9.362 1.880 1.00 2.15 H new ATOM 0 HZ3 LYS A 16 -22.261 -8.540 2.280 1.00 2.15 H new ATOM 278 N GLU A 17 -21.345 -4.066 -4.166 1.00 2.07 N ATOM 279 CA GLU A 17 -22.053 -3.964 -5.461 1.00 2.13 C ATOM 280 C GLU A 17 -21.104 -3.769 -6.679 1.00 2.10 C ATOM 281 O GLU A 17 -21.560 -3.693 -7.823 1.00 2.16 O ATOM 282 CB GLU A 17 -23.098 -2.834 -5.346 1.00 2.18 C ATOM 283 CG GLU A 17 -24.247 -2.938 -6.357 1.00 2.27 C ATOM 284 CD GLU A 17 -25.347 -1.903 -6.052 1.00 2.33 C ATOM 285 OE1 GLU A 17 -25.280 -0.763 -6.577 1.00 2.34 O ATOM 286 OE2 GLU A 17 -26.298 -2.222 -5.299 1.00 2.37 O ATOM 0 H GLU A 17 -21.459 -3.248 -3.568 1.00 2.07 H new ATOM 0 HA GLU A 17 -22.548 -4.914 -5.662 1.00 2.13 H new ATOM 0 HB2 GLU A 17 -23.513 -2.839 -4.338 1.00 2.18 H new ATOM 0 HB3 GLU A 17 -22.597 -1.875 -5.479 1.00 2.18 H new ATOM 0 HG2 GLU A 17 -23.864 -2.780 -7.365 1.00 2.27 H new ATOM 0 HG3 GLU A 17 -24.670 -3.942 -6.330 1.00 2.27 H new ATOM 293 N ARG A 18 -19.781 -3.711 -6.445 1.00 2.02 N ATOM 294 CA ARG A 18 -18.761 -3.653 -7.518 1.00 1.99 C ATOM 295 C ARG A 18 -17.797 -4.856 -7.479 1.00 1.95 C ATOM 296 O ARG A 18 -16.700 -4.798 -8.038 1.00 1.90 O ATOM 297 CB ARG A 18 -18.054 -2.273 -7.522 1.00 1.94 C ATOM 298 CG ARG A 18 -18.735 -1.240 -8.441 1.00 2.01 C ATOM 299 CD ARG A 18 -19.998 -0.601 -7.854 1.00 2.06 C ATOM 300 NE ARG A 18 -20.733 0.166 -8.877 1.00 2.13 N ATOM 301 CZ ARG A 18 -21.707 -0.276 -9.656 1.00 2.22 C ATOM 302 NH1 ARG A 18 -22.156 -1.499 -9.606 1.00 2.24 N ATOM 303 NH2 ARG A 18 -22.250 0.523 -10.529 1.00 2.28 N ATOM 0 H ARG A 18 -19.384 -3.703 -5.506 1.00 2.02 H new ATOM 0 HA ARG A 18 -19.266 -3.744 -8.479 1.00 1.99 H new ATOM 0 HB2 ARG A 18 -18.029 -1.883 -6.505 1.00 1.94 H new ATOM 0 HB3 ARG A 18 -17.019 -2.404 -7.839 1.00 1.94 H new ATOM 0 HG2 ARG A 18 -18.019 -0.452 -8.673 1.00 2.01 H new ATOM 0 HG3 ARG A 18 -18.993 -1.725 -9.383 1.00 2.01 H new ATOM 0 HD2 ARG A 18 -20.644 -1.377 -7.444 1.00 2.06 H new ATOM 0 HD3 ARG A 18 -19.726 0.057 -7.028 1.00 2.06 H new ATOM 0 HE ARG A 18 -20.461 1.142 -8.997 1.00 2.13 H new ATOM 0 HH11 ARG A 18 -21.754 -2.163 -8.945 1.00 2.24 H new ATOM 0 HH12 ARG A 18 -22.909 -1.792 -10.228 1.00 2.24 H new ATOM 0 HH21 ARG A 18 -21.924 1.486 -10.611 1.00 2.28 H new ATOM 0 HH22 ARG A 18 -23.001 0.186 -11.131 1.00 2.28 H new ATOM 317 N LYS A 19 -18.207 -5.964 -6.837 1.00 1.97 N ATOM 318 CA LYS A 19 -17.490 -7.258 -6.741 1.00 1.95 C ATOM 319 C LYS A 19 -16.152 -7.127 -6.003 1.00 1.86 C ATOM 320 O LYS A 19 -15.256 -7.965 -6.147 1.00 1.84 O ATOM 321 CB LYS A 19 -17.369 -7.930 -8.128 1.00 1.99 C ATOM 322 CG LYS A 19 -18.729 -8.119 -8.825 1.00 2.09 C ATOM 323 CD LYS A 19 -18.563 -8.811 -10.184 1.00 2.13 C ATOM 324 CE LYS A 19 -19.926 -8.950 -10.874 1.00 2.22 C ATOM 325 NZ LYS A 19 -19.802 -9.595 -12.208 1.00 2.27 N ATOM 0 H LYS A 19 -19.098 -5.987 -6.341 1.00 1.97 H new ATOM 0 HA LYS A 19 -18.089 -7.929 -6.125 1.00 1.95 H new ATOM 0 HB2 LYS A 19 -16.722 -7.325 -8.764 1.00 1.99 H new ATOM 0 HB3 LYS A 19 -16.887 -8.901 -8.014 1.00 1.99 H new ATOM 0 HG2 LYS A 19 -19.387 -8.712 -8.190 1.00 2.09 H new ATOM 0 HG3 LYS A 19 -19.208 -7.150 -8.963 1.00 2.09 H new ATOM 0 HD2 LYS A 19 -17.885 -8.235 -10.814 1.00 2.13 H new ATOM 0 HD3 LYS A 19 -18.114 -9.795 -10.048 1.00 2.13 H new ATOM 0 HE2 LYS A 19 -20.594 -9.539 -10.245 1.00 2.22 H new ATOM 0 HE3 LYS A 19 -20.380 -7.965 -10.986 1.00 2.22 H new ATOM 0 HZ1 LYS A 19 -20.743 -9.672 -12.645 1.00 2.27 H new ATOM 0 HZ2 LYS A 19 -19.184 -9.020 -12.816 1.00 2.27 H new ATOM 0 HZ3 LYS A 19 -19.392 -10.545 -12.098 1.00 2.27 H new ATOM 339 N THR A 20 -16.047 -6.079 -5.182 1.00 1.82 N ATOM 340 CA THR A 20 -14.817 -5.753 -4.461 1.00 1.73 C ATOM 341 C THR A 20 -15.120 -5.381 -2.997 1.00 1.72 C ATOM 342 O THR A 20 -14.785 -4.280 -2.571 1.00 1.68 O ATOM 343 CB THR A 20 -14.006 -4.657 -5.201 1.00 1.69 C ATOM 344 OG1 THR A 20 -13.923 -4.924 -6.586 1.00 1.72 O ATOM 345 CG2 THR A 20 -12.552 -4.561 -4.728 1.00 1.61 C ATOM 0 H THR A 20 -16.814 -5.432 -4.999 1.00 1.82 H new ATOM 0 HA THR A 20 -14.186 -6.641 -4.437 1.00 1.73 H new ATOM 0 HB THR A 20 -14.544 -3.734 -4.985 1.00 1.69 H new ATOM 0 HG1 THR A 20 -14.806 -4.810 -6.995 1.00 1.72 H new ATOM 0 HG21 THR A 20 -12.039 -3.776 -5.284 1.00 1.61 H new ATOM 0 HG22 THR A 20 -12.530 -4.325 -3.664 1.00 1.61 H new ATOM 0 HG23 THR A 20 -12.050 -5.514 -4.899 1.00 1.61 H new ATOM 353 N PRO A 21 -15.809 -6.237 -2.212 1.00 1.76 N ATOM 354 CA PRO A 21 -16.155 -5.937 -0.817 1.00 1.76 C ATOM 355 C PRO A 21 -14.920 -5.850 0.098 1.00 1.69 C ATOM 356 O PRO A 21 -13.882 -6.450 -0.180 1.00 1.66 O ATOM 357 CB PRO A 21 -17.078 -7.084 -0.386 1.00 1.84 C ATOM 358 CG PRO A 21 -16.604 -8.260 -1.235 1.00 1.85 C ATOM 359 CD PRO A 21 -16.248 -7.585 -2.556 1.00 1.82 C ATOM 0 HA PRO A 21 -16.631 -4.960 -0.735 1.00 1.76 H new ATOM 0 HB2 PRO A 21 -16.986 -7.295 0.679 1.00 1.84 H new ATOM 0 HB3 PRO A 21 -18.125 -6.849 -0.575 1.00 1.84 H new ATOM 0 HG2 PRO A 21 -15.745 -8.762 -0.790 1.00 1.85 H new ATOM 0 HG3 PRO A 21 -17.383 -9.012 -1.360 1.00 1.85 H new ATOM 0 HD2 PRO A 21 -15.460 -8.132 -3.074 1.00 1.82 H new ATOM 0 HD3 PRO A 21 -17.109 -7.557 -3.224 1.00 1.82 H new ATOM 367 N ILE A 22 -15.062 -5.199 1.257 1.00 1.68 N ATOM 368 CA ILE A 22 -14.031 -5.248 2.327 1.00 1.64 C ATOM 369 C ILE A 22 -13.798 -6.704 2.810 1.00 1.67 C ATOM 370 O ILE A 22 -12.721 -7.059 3.280 1.00 1.64 O ATOM 371 CB ILE A 22 -14.416 -4.256 3.459 1.00 1.64 C ATOM 372 CG1 ILE A 22 -14.392 -2.819 2.900 1.00 1.61 C ATOM 373 CG2 ILE A 22 -13.483 -4.374 4.681 1.00 1.61 C ATOM 374 CD1 ILE A 22 -14.829 -1.727 3.884 1.00 1.62 C ATOM 0 H ILE A 22 -15.876 -4.630 1.489 1.00 1.68 H new ATOM 0 HA ILE A 22 -13.067 -4.923 1.937 1.00 1.64 H new ATOM 0 HB ILE A 22 -15.419 -4.506 3.804 1.00 1.64 H new ATOM 0 HG12 ILE A 22 -13.381 -2.596 2.560 1.00 1.61 H new ATOM 0 HG13 ILE A 22 -15.039 -2.776 2.024 1.00 1.61 H new ATOM 0 HG21 ILE A 22 -13.792 -3.661 5.445 1.00 1.61 H new ATOM 0 HG22 ILE A 22 -13.538 -5.385 5.085 1.00 1.61 H new ATOM 0 HG23 ILE A 22 -12.458 -4.160 4.378 1.00 1.61 H new ATOM 0 HD11 ILE A 22 -14.777 -0.754 3.395 1.00 1.62 H new ATOM 0 HD12 ILE A 22 -15.853 -1.917 4.207 1.00 1.62 H new ATOM 0 HD13 ILE A 22 -14.168 -1.733 4.751 1.00 1.62 H new ATOM 386 N GLU A 23 -14.799 -7.562 2.585 1.00 1.74 N ATOM 387 CA GLU A 23 -14.663 -9.024 2.745 1.00 1.78 C ATOM 388 C GLU A 23 -13.499 -9.676 1.946 1.00 1.75 C ATOM 389 O GLU A 23 -13.135 -10.816 2.248 1.00 1.78 O ATOM 390 CB GLU A 23 -15.993 -9.729 2.429 1.00 1.87 C ATOM 391 CG GLU A 23 -17.135 -9.293 3.355 1.00 1.91 C ATOM 392 CD GLU A 23 -18.401 -10.127 3.096 1.00 2.00 C ATOM 393 OE1 GLU A 23 -19.176 -9.782 2.172 1.00 2.02 O ATOM 394 OE2 GLU A 23 -18.634 -11.133 3.812 1.00 2.06 O ATOM 0 H GLU A 23 -15.729 -7.268 2.287 1.00 1.74 H new ATOM 0 HA GLU A 23 -14.399 -9.166 3.793 1.00 1.78 H new ATOM 0 HB2 GLU A 23 -16.271 -9.522 1.396 1.00 1.87 H new ATOM 0 HB3 GLU A 23 -15.856 -10.807 2.513 1.00 1.87 H new ATOM 0 HG2 GLU A 23 -16.828 -9.404 4.395 1.00 1.91 H new ATOM 0 HG3 GLU A 23 -17.352 -8.236 3.198 1.00 1.91 H new ATOM 401 N ARG A 24 -12.863 -8.974 0.982 1.00 1.69 N ATOM 402 CA ARG A 24 -11.619 -9.397 0.290 1.00 1.65 C ATOM 403 C ARG A 24 -10.390 -8.515 0.601 1.00 1.57 C ATOM 404 O ARG A 24 -9.354 -8.640 -0.055 1.00 1.53 O ATOM 405 CB ARG A 24 -11.880 -9.608 -1.221 1.00 1.67 C ATOM 406 CG ARG A 24 -11.760 -8.355 -2.114 1.00 1.62 C ATOM 407 CD ARG A 24 -12.319 -8.586 -3.527 1.00 1.67 C ATOM 408 NE ARG A 24 -11.545 -9.583 -4.289 1.00 1.67 N ATOM 409 CZ ARG A 24 -11.819 -10.046 -5.500 1.00 1.72 C ATOM 410 NH1 ARG A 24 -12.858 -9.667 -6.191 1.00 1.77 N ATOM 411 NH2 ARG A 24 -11.028 -10.921 -6.053 1.00 1.72 N ATOM 0 H ARG A 24 -13.208 -8.072 0.653 1.00 1.69 H new ATOM 0 HA ARG A 24 -11.336 -10.364 0.705 1.00 1.65 H new ATOM 0 HB2 ARG A 24 -11.180 -10.359 -1.588 1.00 1.67 H new ATOM 0 HB3 ARG A 24 -12.882 -10.020 -1.341 1.00 1.67 H new ATOM 0 HG2 ARG A 24 -12.293 -7.527 -1.647 1.00 1.62 H new ATOM 0 HG3 ARG A 24 -10.713 -8.061 -2.184 1.00 1.62 H new ATOM 0 HD2 ARG A 24 -13.356 -8.915 -3.454 1.00 1.67 H new ATOM 0 HD3 ARG A 24 -12.322 -7.641 -4.071 1.00 1.67 H new ATOM 0 HE ARG A 24 -10.710 -9.956 -3.836 1.00 1.67 H new ATOM 0 HH11 ARG A 24 -13.506 -8.982 -5.803 1.00 1.77 H new ATOM 0 HH12 ARG A 24 -13.022 -10.056 -7.120 1.00 1.77 H new ATOM 0 HH21 ARG A 24 -10.201 -11.248 -5.554 1.00 1.72 H new ATOM 0 HH22 ARG A 24 -11.236 -11.279 -6.985 1.00 1.72 H new ATOM 425 N ILE A 25 -10.487 -7.650 1.616 1.00 1.55 N ATOM 426 CA ILE A 25 -9.473 -6.677 2.059 1.00 1.48 C ATOM 427 C ILE A 25 -9.258 -6.851 3.583 1.00 1.49 C ATOM 428 O ILE A 25 -9.776 -6.070 4.388 1.00 1.50 O ATOM 429 CB ILE A 25 -9.870 -5.227 1.664 1.00 1.45 C ATOM 430 CG1 ILE A 25 -10.382 -5.101 0.208 1.00 1.46 C ATOM 431 CG2 ILE A 25 -8.640 -4.322 1.864 1.00 1.37 C ATOM 432 CD1 ILE A 25 -10.870 -3.694 -0.162 1.00 1.45 C ATOM 0 H ILE A 25 -11.329 -7.605 2.190 1.00 1.55 H new ATOM 0 HA ILE A 25 -8.526 -6.866 1.554 1.00 1.48 H new ATOM 0 HB ILE A 25 -10.700 -4.924 2.302 1.00 1.45 H new ATOM 0 HG12 ILE A 25 -9.582 -5.388 -0.474 1.00 1.46 H new ATOM 0 HG13 ILE A 25 -11.197 -5.809 0.058 1.00 1.46 H new ATOM 0 HG21 ILE A 25 -8.894 -3.297 1.593 1.00 1.37 H new ATOM 0 HG22 ILE A 25 -8.330 -4.355 2.909 1.00 1.37 H new ATOM 0 HG23 ILE A 25 -7.824 -4.673 1.232 1.00 1.37 H new ATOM 0 HD11 ILE A 25 -11.212 -3.688 -1.197 1.00 1.45 H new ATOM 0 HD12 ILE A 25 -11.693 -3.410 0.494 1.00 1.45 H new ATOM 0 HD13 ILE A 25 -10.052 -2.983 -0.046 1.00 1.45 H new ATOM 444 N PRO A 26 -8.652 -7.985 3.960 1.00 1.53 N ATOM 445 CA PRO A 26 -8.547 -8.397 5.357 1.00 1.57 C ATOM 446 C PRO A 26 -7.678 -7.577 6.292 1.00 1.52 C ATOM 447 O PRO A 26 -8.110 -7.279 7.406 1.00 1.50 O ATOM 448 CB PRO A 26 -8.032 -9.829 5.284 1.00 1.62 C ATOM 449 CG PRO A 26 -7.398 -9.983 3.944 1.00 1.59 C ATOM 450 CD PRO A 26 -8.001 -8.938 3.044 1.00 1.55 C ATOM 0 HA PRO A 26 -9.528 -8.260 5.811 1.00 1.57 H new ATOM 0 HB2 PRO A 26 -7.312 -10.023 6.079 1.00 1.62 H new ATOM 0 HB3 PRO A 26 -8.847 -10.541 5.412 1.00 1.62 H new ATOM 0 HG2 PRO A 26 -6.318 -9.855 4.012 1.00 1.59 H new ATOM 0 HG3 PRO A 26 -7.576 -10.982 3.547 1.00 1.59 H new ATOM 0 HD2 PRO A 26 -7.238 -8.448 2.440 1.00 1.55 H new ATOM 0 HD3 PRO A 26 -8.721 -9.378 2.353 1.00 1.55 H new ATOM 458 N TYR A 27 -6.474 -7.209 5.896 1.00 1.52 N ATOM 459 CA TYR A 27 -5.632 -6.500 6.846 1.00 1.49 C ATOM 460 C TYR A 27 -4.859 -5.322 6.275 1.00 1.38 C ATOM 461 O TYR A 27 -4.853 -5.043 5.080 1.00 1.34 O ATOM 462 CB TYR A 27 -4.607 -7.449 7.500 1.00 1.61 C ATOM 463 CG TYR A 27 -4.824 -8.938 7.287 1.00 1.65 C ATOM 464 CD1 TYR A 27 -4.476 -9.549 6.086 1.00 1.76 C ATOM 465 CD2 TYR A 27 -5.340 -9.738 8.300 1.00 1.91 C ATOM 466 CE1 TYR A 27 -4.644 -10.909 5.900 1.00 2.09 C ATOM 467 CE2 TYR A 27 -5.503 -11.100 8.123 1.00 2.21 C ATOM 468 CZ TYR A 27 -5.155 -11.679 6.921 1.00 2.29 C ATOM 469 OH TYR A 27 -5.313 -13.034 6.746 1.00 2.75 O ATOM 0 H TYR A 27 -6.071 -7.376 4.974 1.00 1.52 H new ATOM 0 HA TYR A 27 -6.344 -6.107 7.571 1.00 1.49 H new ATOM 0 HB2 TYR A 27 -3.617 -7.192 7.124 1.00 1.61 H new ATOM 0 HB3 TYR A 27 -4.600 -7.256 8.573 1.00 1.61 H new ATOM 0 HD1 TYR A 27 -4.068 -8.951 5.285 1.00 1.76 H new ATOM 0 HD2 TYR A 27 -5.618 -9.288 9.242 1.00 1.91 H new ATOM 0 HE1 TYR A 27 -4.376 -11.365 4.958 1.00 2.09 H new ATOM 0 HE2 TYR A 27 -5.901 -11.707 8.923 1.00 2.21 H new ATOM 0 HH TYR A 27 -5.684 -13.428 7.563 1.00 2.75 H new ATOM 479 N LEU A 28 -4.215 -4.657 7.225 1.00 1.39 N ATOM 480 CA LEU A 28 -3.321 -3.527 7.028 1.00 1.35 C ATOM 481 C LEU A 28 -1.916 -4.110 7.125 1.00 1.35 C ATOM 482 O LEU A 28 -1.785 -5.242 7.592 1.00 1.38 O ATOM 483 CB LEU A 28 -3.561 -2.487 8.125 1.00 1.42 C ATOM 484 CG LEU A 28 -2.965 -1.103 7.907 1.00 1.37 C ATOM 485 CD1 LEU A 28 -3.792 -0.313 6.906 1.00 1.58 C ATOM 486 CD2 LEU A 28 -2.887 -0.364 9.231 1.00 1.77 C ATOM 0 H LEU A 28 -4.309 -4.907 8.209 1.00 1.39 H new ATOM 0 HA LEU A 28 -3.478 -3.026 6.073 1.00 1.35 H new ATOM 0 HB2 LEU A 28 -4.637 -2.376 8.257 1.00 1.42 H new ATOM 0 HB3 LEU A 28 -3.165 -2.883 9.060 1.00 1.42 H new ATOM 0 HG LEU A 28 -1.959 -1.214 7.501 1.00 1.37 H new ATOM 0 HD11 LEU A 28 -3.349 0.673 6.765 1.00 1.58 H new ATOM 0 HD12 LEU A 28 -3.812 -0.842 5.953 1.00 1.58 H new ATOM 0 HD13 LEU A 28 -4.809 -0.203 7.281 1.00 1.58 H new ATOM 0 HD21 LEU A 28 -2.460 0.626 9.071 1.00 1.77 H new ATOM 0 HD22 LEU A 28 -3.888 -0.264 9.651 1.00 1.77 H new ATOM 0 HD23 LEU A 28 -2.257 -0.923 9.923 1.00 1.77 H new ATOM 583 N ASN A 34 -8.678 -0.700 9.508 1.00 1.56 N ATOM 584 CA ASN A 34 -8.941 0.627 10.127 1.00 1.58 C ATOM 585 C ASN A 34 -8.737 1.784 9.124 1.00 1.57 C ATOM 586 O ASN A 34 -7.721 2.484 9.168 1.00 1.91 O ATOM 587 CB ASN A 34 -8.052 0.832 11.363 1.00 1.60 C ATOM 588 CG ASN A 34 -8.359 -0.166 12.461 1.00 1.73 C ATOM 589 OD1 ASN A 34 -7.721 -1.213 12.563 1.00 2.14 O ATOM 590 ND2 ASN A 34 -9.356 0.146 13.281 1.00 2.10 N ATOM 0 HA ASN A 34 -9.987 0.638 10.434 1.00 1.58 H new ATOM 0 HB2 ASN A 34 -7.005 0.741 11.074 1.00 1.60 H new ATOM 0 HB3 ASN A 34 -8.191 1.844 11.745 1.00 1.60 H new ATOM 0 HD21 ASN A 34 -9.619 -0.494 14.031 1.00 2.10 H new ATOM 0 HD22 ASN A 34 -9.859 1.025 13.161 1.00 2.10 H new ATOM 597 N LEU A 35 -9.714 1.978 8.235 1.00 1.38 N ATOM 598 CA LEU A 35 -9.634 3.000 7.178 1.00 1.34 C ATOM 599 C LEU A 35 -9.404 4.433 7.684 1.00 1.32 C ATOM 600 O LEU A 35 -8.480 5.102 7.223 1.00 1.28 O ATOM 601 CB LEU A 35 -10.907 2.951 6.311 1.00 1.40 C ATOM 602 CG LEU A 35 -10.878 3.771 5.006 1.00 1.43 C ATOM 603 CD1 LEU A 35 -11.209 5.232 5.273 1.00 1.47 C ATOM 604 CD2 LEU A 35 -9.527 3.655 4.318 1.00 1.52 C ATOM 0 H LEU A 35 -10.579 1.437 8.223 1.00 1.38 H new ATOM 0 HA LEU A 35 -8.750 2.750 6.592 1.00 1.34 H new ATOM 0 HB2 LEU A 35 -11.107 1.910 6.056 1.00 1.40 H new ATOM 0 HB3 LEU A 35 -11.745 3.299 6.915 1.00 1.40 H new ATOM 0 HG LEU A 35 -11.639 3.361 4.342 1.00 1.43 H new ATOM 0 HD11 LEU A 35 -11.182 5.788 4.336 1.00 1.47 H new ATOM 0 HD12 LEU A 35 -12.205 5.305 5.710 1.00 1.47 H new ATOM 0 HD13 LEU A 35 -10.478 5.650 5.965 1.00 1.47 H new ATOM 0 HD21 LEU A 35 -9.534 4.243 3.400 1.00 1.52 H new ATOM 0 HD22 LEU A 35 -8.747 4.028 4.982 1.00 1.52 H new ATOM 0 HD23 LEU A 35 -9.329 2.610 4.078 1.00 1.52 H new ATOM 616 N TRP A 36 -10.248 4.910 8.597 1.00 1.37 N ATOM 617 CA TRP A 36 -10.147 6.285 9.111 1.00 1.37 C ATOM 618 C TRP A 36 -8.726 6.637 9.613 1.00 1.32 C ATOM 619 O TRP A 36 -8.291 7.780 9.498 1.00 1.31 O ATOM 620 CB TRP A 36 -11.184 6.523 10.222 1.00 1.45 C ATOM 621 CG TRP A 36 -11.206 5.461 11.280 1.00 1.50 C ATOM 622 CD1 TRP A 36 -11.724 4.203 11.167 1.00 1.55 C ATOM 623 CD2 TRP A 36 -10.704 5.571 12.617 1.00 1.53 C ATOM 624 NE1 TRP A 36 -11.551 3.514 12.342 1.00 1.61 N ATOM 625 CE2 TRP A 36 -10.931 4.334 13.249 1.00 1.60 C ATOM 626 CE3 TRP A 36 -10.076 6.592 13.339 1.00 1.54 C ATOM 627 CZ2 TRP A 36 -10.555 4.091 14.566 1.00 1.66 C ATOM 628 CZ3 TRP A 36 -9.706 6.349 14.649 1.00 1.61 C ATOM 629 CH2 TRP A 36 -9.945 5.107 15.250 1.00 1.66 C ATOM 0 H TRP A 36 -11.012 4.368 9.000 1.00 1.37 H new ATOM 0 HA TRP A 36 -10.358 6.949 8.273 1.00 1.37 H new ATOM 0 HB2 TRP A 36 -10.981 7.485 10.693 1.00 1.45 H new ATOM 0 HB3 TRP A 36 -12.174 6.591 9.771 1.00 1.45 H new ATOM 0 HD1 TRP A 36 -12.200 3.807 10.282 1.00 1.55 H new ATOM 0 HE1 TRP A 36 -11.837 2.550 12.512 1.00 1.61 H new ATOM 0 HE3 TRP A 36 -9.884 7.551 12.882 1.00 1.54 H new ATOM 0 HZ2 TRP A 36 -10.738 3.134 15.032 1.00 1.66 H new ATOM 0 HZ3 TRP A 36 -9.225 7.130 15.218 1.00 1.61 H new ATOM 0 HH2 TRP A 36 -9.642 4.948 16.274 1.00 1.66 H new ATOM 640 N THR A 37 -8.027 5.638 10.160 1.00 1.32 N ATOM 641 CA THR A 37 -6.653 5.780 10.683 1.00 1.29 C ATOM 642 C THR A 37 -5.610 5.889 9.566 1.00 1.23 C ATOM 643 O THR A 37 -4.814 6.825 9.590 1.00 1.21 O ATOM 644 CB THR A 37 -6.283 4.619 11.621 1.00 1.34 C ATOM 645 OG1 THR A 37 -7.168 4.586 12.719 1.00 1.41 O ATOM 646 CG2 THR A 37 -4.881 4.749 12.221 1.00 1.35 C ATOM 0 H THR A 37 -8.399 4.693 10.256 1.00 1.32 H new ATOM 0 HA THR A 37 -6.642 6.712 11.248 1.00 1.29 H new ATOM 0 HB THR A 37 -6.336 3.721 11.005 1.00 1.34 H new ATOM 0 HG1 THR A 37 -7.799 5.333 12.653 1.00 1.41 H new ATOM 0 HG21 THR A 37 -4.684 3.898 12.873 1.00 1.35 H new ATOM 0 HG22 THR A 37 -4.143 4.771 11.419 1.00 1.35 H new ATOM 0 HG23 THR A 37 -4.817 5.671 12.799 1.00 1.35 H new ATOM 654 N MET A 38 -5.610 5.002 8.558 1.00 1.20 N ATOM 655 CA MET A 38 -4.695 5.167 7.407 1.00 1.15 C ATOM 656 C MET A 38 -4.983 6.456 6.615 1.00 1.13 C ATOM 657 O MET A 38 -4.061 7.068 6.077 1.00 1.11 O ATOM 658 CB MET A 38 -4.657 3.935 6.484 1.00 1.14 C ATOM 659 CG MET A 38 -5.998 3.550 5.858 1.00 1.17 C ATOM 660 SD MET A 38 -5.862 2.627 4.303 1.00 1.17 S ATOM 661 CE MET A 38 -6.802 1.125 4.687 1.00 1.25 C ATOM 0 H MET A 38 -6.215 4.182 8.511 1.00 1.20 H new ATOM 0 HA MET A 38 -3.698 5.262 7.836 1.00 1.15 H new ATOM 0 HB2 MET A 38 -3.941 4.122 5.684 1.00 1.14 H new ATOM 0 HB3 MET A 38 -4.283 3.085 7.054 1.00 1.14 H new ATOM 0 HG2 MET A 38 -6.561 2.951 6.574 1.00 1.17 H new ATOM 0 HG3 MET A 38 -6.575 4.457 5.679 1.00 1.17 H new ATOM 0 HE1 MET A 38 -6.863 0.497 3.798 1.00 1.25 H new ATOM 0 HE2 MET A 38 -6.302 0.577 5.485 1.00 1.25 H new ATOM 0 HE3 MET A 38 -7.807 1.397 5.008 1.00 1.25 H new ATOM 671 N PHE A 39 -6.245 6.899 6.604 1.00 1.17 N ATOM 672 CA PHE A 39 -6.621 8.193 6.040 1.00 1.19 C ATOM 673 C PHE A 39 -5.996 9.362 6.802 1.00 1.20 C ATOM 674 O PHE A 39 -5.209 10.103 6.213 1.00 1.20 O ATOM 675 CB PHE A 39 -8.141 8.335 5.963 1.00 1.25 C ATOM 676 CG PHE A 39 -8.568 9.687 5.417 1.00 1.30 C ATOM 677 CD1 PHE A 39 -8.268 10.030 4.084 1.00 1.30 C ATOM 678 CD2 PHE A 39 -9.217 10.619 6.249 1.00 1.36 C ATOM 679 CE1 PHE A 39 -8.629 11.290 3.577 1.00 1.37 C ATOM 680 CE2 PHE A 39 -9.566 11.886 5.745 1.00 1.43 C ATOM 681 CZ PHE A 39 -9.268 12.222 4.413 1.00 1.44 C ATOM 0 H PHE A 39 -7.029 6.370 6.985 1.00 1.17 H new ATOM 0 HA PHE A 39 -6.222 8.227 5.026 1.00 1.19 H new ATOM 0 HB2 PHE A 39 -8.546 7.546 5.329 1.00 1.25 H new ATOM 0 HB3 PHE A 39 -8.567 8.196 6.957 1.00 1.25 H new ATOM 0 HD1 PHE A 39 -7.758 9.321 3.449 1.00 1.30 H new ATOM 0 HD2 PHE A 39 -9.447 10.362 7.273 1.00 1.36 H new ATOM 0 HE1 PHE A 39 -8.416 11.541 2.548 1.00 1.37 H new ATOM 0 HE2 PHE A 39 -10.064 12.601 6.383 1.00 1.43 H new ATOM 0 HZ PHE A 39 -9.530 13.198 4.031 1.00 1.44 H new ATOM 691 N GLN A 40 -6.270 9.531 8.103 1.00 1.24 N ATOM 692 CA GLN A 40 -5.671 10.656 8.845 1.00 1.27 C ATOM 693 C GLN A 40 -4.132 10.577 8.908 1.00 1.25 C ATOM 694 O GLN A 40 -3.469 11.616 8.920 1.00 1.28 O ATOM 695 CB GLN A 40 -6.321 10.803 10.233 1.00 1.33 C ATOM 696 CG GLN A 40 -5.891 9.713 11.224 1.00 1.33 C ATOM 697 CD GLN A 40 -6.828 9.617 12.422 1.00 1.39 C ATOM 698 OE1 GLN A 40 -6.559 10.107 13.509 1.00 1.44 O ATOM 699 NE2 GLN A 40 -7.956 8.962 12.262 1.00 1.40 N ATOM 0 H GLN A 40 -6.882 8.927 8.652 1.00 1.24 H new ATOM 0 HA GLN A 40 -5.886 11.568 8.288 1.00 1.27 H new ATOM 0 HB2 GLN A 40 -6.065 11.779 10.644 1.00 1.33 H new ATOM 0 HB3 GLN A 40 -7.405 10.777 10.123 1.00 1.33 H new ATOM 0 HG2 GLN A 40 -5.860 8.751 10.712 1.00 1.33 H new ATOM 0 HG3 GLN A 40 -4.879 9.921 11.573 1.00 1.33 H new ATOM 0 HE21 GLN A 40 -8.184 8.552 11.356 1.00 1.40 H new ATOM 0 HE22 GLN A 40 -8.604 8.864 13.044 1.00 1.40 H new ATOM 708 N ALA A 41 -3.551 9.371 8.860 1.00 1.21 N ATOM 709 CA ALA A 41 -2.114 9.179 8.686 1.00 1.20 C ATOM 710 C ALA A 41 -1.626 9.720 7.332 1.00 1.18 C ATOM 711 O ALA A 41 -0.735 10.567 7.302 1.00 1.21 O ATOM 712 CB ALA A 41 -1.779 7.694 8.855 1.00 1.18 C ATOM 0 H ALA A 41 -4.073 8.498 8.942 1.00 1.21 H new ATOM 0 HA ALA A 41 -1.588 9.750 9.451 1.00 1.20 H new ATOM 0 HB1 ALA A 41 -0.707 7.546 8.726 1.00 1.18 H new ATOM 0 HB2 ALA A 41 -2.073 7.366 9.852 1.00 1.18 H new ATOM 0 HB3 ALA A 41 -2.318 7.112 8.108 1.00 1.18 H new ATOM 718 N ALA A 42 -2.243 9.320 6.215 1.00 1.14 N ATOM 719 CA ALA A 42 -1.924 9.860 4.893 1.00 1.14 C ATOM 720 C ALA A 42 -2.084 11.387 4.825 1.00 1.20 C ATOM 721 O ALA A 42 -1.248 12.057 4.235 1.00 1.23 O ATOM 722 CB ALA A 42 -2.785 9.158 3.835 1.00 1.11 C ATOM 0 H ALA A 42 -2.978 8.612 6.204 1.00 1.14 H new ATOM 0 HA ALA A 42 -0.872 9.661 4.691 1.00 1.14 H new ATOM 0 HB1 ALA A 42 -2.549 9.559 2.849 1.00 1.11 H new ATOM 0 HB2 ALA A 42 -2.579 8.088 3.850 1.00 1.11 H new ATOM 0 HB3 ALA A 42 -3.839 9.328 4.053 1.00 1.11 H new ATOM 728 N GLN A 43 -3.106 11.946 5.484 1.00 1.23 N ATOM 729 CA GLN A 43 -3.333 13.397 5.503 1.00 1.31 C ATOM 730 C GLN A 43 -2.260 14.150 6.317 1.00 1.35 C ATOM 731 O GLN A 43 -1.982 15.317 6.029 1.00 1.42 O ATOM 732 CB GLN A 43 -4.749 13.719 6.010 1.00 1.35 C ATOM 733 CG GLN A 43 -5.873 13.229 5.074 1.00 1.35 C ATOM 734 CD GLN A 43 -5.768 13.756 3.640 1.00 1.38 C ATOM 735 OE1 GLN A 43 -5.586 14.941 3.389 1.00 1.45 O ATOM 736 NE2 GLN A 43 -5.859 12.901 2.643 1.00 1.35 N ATOM 0 H GLN A 43 -3.794 11.411 6.015 1.00 1.23 H new ATOM 0 HA GLN A 43 -3.247 13.751 4.476 1.00 1.31 H new ATOM 0 HB2 GLN A 43 -4.884 13.267 6.992 1.00 1.35 H new ATOM 0 HB3 GLN A 43 -4.842 14.797 6.140 1.00 1.35 H new ATOM 0 HG2 GLN A 43 -5.862 12.139 5.051 1.00 1.35 H new ATOM 0 HG3 GLN A 43 -6.834 13.529 5.490 1.00 1.35 H new ATOM 0 HE21 GLN A 43 -6.010 11.910 2.833 1.00 1.35 H new ATOM 0 HE22 GLN A 43 -5.778 13.229 1.681 1.00 1.35 H new ATOM 745 N LYS A 44 -1.607 13.467 7.267 1.00 1.33 N ATOM 746 CA LYS A 44 -0.442 14.020 7.978 1.00 1.39 C ATOM 747 C LYS A 44 0.822 13.905 7.123 1.00 1.39 C ATOM 748 O LYS A 44 1.540 14.890 6.950 1.00 1.45 O ATOM 749 CB LYS A 44 -0.299 13.296 9.327 1.00 1.39 C ATOM 750 CG LYS A 44 0.729 13.969 10.247 1.00 1.47 C ATOM 751 CD LYS A 44 0.965 13.186 11.546 1.00 1.49 C ATOM 752 CE LYS A 44 -0.330 12.943 12.333 1.00 1.49 C ATOM 753 NZ LYS A 44 -0.043 12.333 13.656 1.00 1.53 N ATOM 0 H LYS A 44 -1.866 12.526 7.563 1.00 1.33 H new ATOM 0 HA LYS A 44 -0.589 15.083 8.167 1.00 1.39 H new ATOM 0 HB2 LYS A 44 -1.267 13.270 9.827 1.00 1.39 H new ATOM 0 HB3 LYS A 44 -0.003 12.262 9.151 1.00 1.39 H new ATOM 0 HG2 LYS A 44 1.674 14.073 9.714 1.00 1.47 H new ATOM 0 HG3 LYS A 44 0.388 14.975 10.491 1.00 1.47 H new ATOM 0 HD2 LYS A 44 1.427 12.228 11.309 1.00 1.49 H new ATOM 0 HD3 LYS A 44 1.669 13.733 12.173 1.00 1.49 H new ATOM 0 HE2 LYS A 44 -0.858 13.886 12.471 1.00 1.49 H new ATOM 0 HE3 LYS A 44 -0.989 12.289 11.762 1.00 1.49 H new ATOM 0 HZ1 LYS A 44 -0.935 12.179 14.168 1.00 1.53 H new ATOM 0 HZ2 LYS A 44 0.440 11.422 13.521 1.00 1.53 H new ATOM 0 HZ3 LYS A 44 0.567 12.970 14.207 1.00 1.53 H new ATOM 767 N LEU A 45 1.028 12.730 6.528 1.00 1.32 N ATOM 768 CA LEU A 45 2.114 12.504 5.564 1.00 1.32 C ATOM 769 C LEU A 45 1.888 13.174 4.168 1.00 1.34 C ATOM 770 O LEU A 45 2.634 12.882 3.231 1.00 1.34 O ATOM 771 CB LEU A 45 2.444 10.981 5.510 1.00 1.27 C ATOM 772 CG LEU A 45 3.168 10.310 6.718 1.00 1.30 C ATOM 773 CD1 LEU A 45 4.351 11.142 7.219 1.00 1.39 C ATOM 774 CD2 LEU A 45 2.271 10.009 7.916 1.00 1.29 C ATOM 0 H LEU A 45 0.450 11.907 6.698 1.00 1.32 H new ATOM 0 HA LEU A 45 3.002 13.026 5.922 1.00 1.32 H new ATOM 0 HB2 LEU A 45 1.506 10.449 5.354 1.00 1.27 H new ATOM 0 HB3 LEU A 45 3.058 10.811 4.625 1.00 1.27 H new ATOM 0 HG LEU A 45 3.509 9.361 6.305 1.00 1.30 H new ATOM 0 HD11 LEU A 45 4.823 10.634 8.060 1.00 1.39 H new ATOM 0 HD12 LEU A 45 5.077 11.263 6.415 1.00 1.39 H new ATOM 0 HD13 LEU A 45 3.997 12.122 7.539 1.00 1.39 H new ATOM 0 HD21 LEU A 45 2.862 9.544 8.705 1.00 1.29 H new ATOM 0 HD22 LEU A 45 1.836 10.937 8.287 1.00 1.29 H new ATOM 0 HD23 LEU A 45 1.474 9.331 7.612 1.00 1.29 H new ATOM 786 N GLY A 46 0.909 14.090 4.027 1.00 1.36 N ATOM 787 CA GLY A 46 0.818 14.959 2.823 1.00 1.42 C ATOM 788 C GLY A 46 -0.251 14.607 1.768 1.00 1.40 C ATOM 789 O GLY A 46 -0.117 14.949 0.589 1.00 1.44 O ATOM 0 H GLY A 46 0.177 14.251 4.718 1.00 1.36 H new ATOM 0 HA2 GLY A 46 0.636 15.980 3.158 1.00 1.42 H new ATOM 0 HA3 GLY A 46 1.790 14.954 2.331 1.00 1.42 H new ATOM 793 N GLY A 47 -1.300 13.922 2.216 1.00 1.34 N ATOM 794 CA GLY A 47 -2.304 13.314 1.347 1.00 1.32 C ATOM 795 C GLY A 47 -1.740 12.262 0.388 1.00 1.28 C ATOM 796 O GLY A 47 -0.526 12.087 0.245 1.00 1.27 O ATOM 0 H GLY A 47 -1.479 13.771 3.209 1.00 1.34 H new ATOM 0 HA2 GLY A 47 -3.074 12.852 1.965 1.00 1.32 H new ATOM 0 HA3 GLY A 47 -2.790 14.098 0.766 1.00 1.32 H new ATOM 800 N TYR A 48 -2.643 11.590 -0.329 1.00 1.27 N ATOM 801 CA TYR A 48 -2.261 10.687 -1.426 1.00 1.26 C ATOM 802 C TYR A 48 -1.340 11.343 -2.479 1.00 1.32 C ATOM 803 O TYR A 48 -0.608 10.647 -3.184 1.00 1.31 O ATOM 804 CB TYR A 48 -3.533 10.131 -2.074 1.00 1.28 C ATOM 805 CG TYR A 48 -3.307 8.917 -2.959 1.00 1.26 C ATOM 806 CD1 TYR A 48 -3.176 7.642 -2.376 1.00 1.20 C ATOM 807 CD2 TYR A 48 -3.239 9.059 -4.358 1.00 1.33 C ATOM 808 CE1 TYR A 48 -3.013 6.503 -3.187 1.00 1.21 C ATOM 809 CE2 TYR A 48 -3.057 7.925 -5.172 1.00 1.33 C ATOM 810 CZ TYR A 48 -2.956 6.645 -4.590 1.00 1.27 C ATOM 811 OH TYR A 48 -2.807 5.554 -5.388 1.00 1.29 O ATOM 0 H TYR A 48 -3.649 11.652 -0.172 1.00 1.27 H new ATOM 0 HA TYR A 48 -1.670 9.878 -0.996 1.00 1.26 H new ATOM 0 HB2 TYR A 48 -4.241 9.866 -1.288 1.00 1.28 H new ATOM 0 HB3 TYR A 48 -3.997 10.918 -2.669 1.00 1.28 H new ATOM 0 HD1 TYR A 48 -3.201 7.537 -1.301 1.00 1.20 H new ATOM 0 HD2 TYR A 48 -3.326 10.038 -4.807 1.00 1.33 H new ATOM 0 HE1 TYR A 48 -2.932 5.524 -2.737 1.00 1.21 H new ATOM 0 HE2 TYR A 48 -2.995 8.036 -6.244 1.00 1.33 H new ATOM 0 HH TYR A 48 -2.789 5.835 -6.327 1.00 1.29 H new ATOM 821 N GLU A 49 -1.331 12.677 -2.581 1.00 1.39 N ATOM 822 CA GLU A 49 -0.541 13.377 -3.606 1.00 1.47 C ATOM 823 C GLU A 49 0.951 13.445 -3.258 1.00 1.46 C ATOM 824 O GLU A 49 1.783 13.074 -4.090 1.00 1.48 O ATOM 825 CB GLU A 49 -1.115 14.781 -3.834 1.00 1.57 C ATOM 826 CG GLU A 49 -2.411 14.701 -4.647 1.00 1.61 C ATOM 827 CD GLU A 49 -3.130 16.056 -4.698 1.00 1.71 C ATOM 828 OE1 GLU A 49 -2.657 16.987 -5.396 1.00 1.80 O ATOM 829 OE2 GLU A 49 -4.194 16.180 -4.048 1.00 1.72 O ATOM 0 H GLU A 49 -1.861 13.295 -1.967 1.00 1.39 H new ATOM 0 HA GLU A 49 -0.614 12.801 -4.528 1.00 1.47 H new ATOM 0 HB2 GLU A 49 -1.308 15.262 -2.875 1.00 1.57 H new ATOM 0 HB3 GLU A 49 -0.386 15.398 -4.359 1.00 1.57 H new ATOM 0 HG2 GLU A 49 -2.186 14.370 -5.661 1.00 1.61 H new ATOM 0 HG3 GLU A 49 -3.072 13.954 -4.207 1.00 1.61 H new ATOM 836 N THR A 50 1.315 13.826 -2.025 1.00 1.44 N ATOM 837 CA THR A 50 2.703 13.705 -1.550 1.00 1.45 C ATOM 838 C THR A 50 3.117 12.236 -1.486 1.00 1.37 C ATOM 839 O THR A 50 4.238 11.893 -1.858 1.00 1.40 O ATOM 840 CB THR A 50 2.922 14.364 -0.179 1.00 1.46 C ATOM 841 OG1 THR A 50 2.533 15.722 -0.229 1.00 1.54 O ATOM 842 CG2 THR A 50 4.386 14.357 0.262 1.00 1.50 C ATOM 0 H THR A 50 0.670 14.220 -1.340 1.00 1.44 H new ATOM 0 HA THR A 50 3.326 14.236 -2.270 1.00 1.45 H new ATOM 0 HB THR A 50 2.327 13.783 0.525 1.00 1.46 H new ATOM 0 HG1 THR A 50 1.588 15.801 0.020 1.00 1.54 H new ATOM 0 HG21 THR A 50 4.475 14.836 1.237 1.00 1.50 H new ATOM 0 HG22 THR A 50 4.741 13.329 0.330 1.00 1.50 H new ATOM 0 HG23 THR A 50 4.988 14.901 -0.466 1.00 1.50 H new ATOM 850 N ILE A 51 2.192 11.350 -1.100 1.00 1.30 N ATOM 851 CA ILE A 51 2.424 9.899 -1.131 1.00 1.24 C ATOM 852 C ILE A 51 2.830 9.406 -2.530 1.00 1.27 C ATOM 853 O ILE A 51 3.795 8.655 -2.652 1.00 1.27 O ATOM 854 CB ILE A 51 1.183 9.179 -0.542 1.00 1.18 C ATOM 855 CG1 ILE A 51 1.417 8.743 0.916 1.00 1.14 C ATOM 856 CG2 ILE A 51 0.703 7.970 -1.353 1.00 1.15 C ATOM 857 CD1 ILE A 51 1.448 9.925 1.897 1.00 1.17 C ATOM 0 H ILE A 51 1.268 11.614 -0.759 1.00 1.30 H new ATOM 0 HA ILE A 51 3.280 9.649 -0.504 1.00 1.24 H new ATOM 0 HB ILE A 51 0.394 9.929 -0.589 1.00 1.18 H new ATOM 0 HG12 ILE A 51 0.629 8.051 1.214 1.00 1.14 H new ATOM 0 HG13 ILE A 51 2.360 8.199 0.980 1.00 1.14 H new ATOM 0 HG21 ILE A 51 -0.168 7.529 -0.868 1.00 1.15 H new ATOM 0 HG22 ILE A 51 0.434 8.291 -2.360 1.00 1.15 H new ATOM 0 HG23 ILE A 51 1.501 7.229 -1.409 1.00 1.15 H new ATOM 0 HD11 ILE A 51 1.616 9.554 2.908 1.00 1.17 H new ATOM 0 HD12 ILE A 51 2.254 10.606 1.621 1.00 1.17 H new ATOM 0 HD13 ILE A 51 0.496 10.455 1.858 1.00 1.17 H new ATOM 869 N THR A 52 2.143 9.848 -3.580 1.00 1.30 N ATOM 870 CA THR A 52 2.465 9.439 -4.961 1.00 1.35 C ATOM 871 C THR A 52 3.740 10.103 -5.472 1.00 1.42 C ATOM 872 O THR A 52 4.540 9.450 -6.148 1.00 1.45 O ATOM 873 CB THR A 52 1.280 9.734 -5.893 1.00 1.39 C ATOM 874 OG1 THR A 52 0.175 8.977 -5.446 1.00 1.34 O ATOM 875 CG2 THR A 52 1.519 9.311 -7.343 1.00 1.45 C ATOM 0 H THR A 52 1.355 10.492 -3.509 1.00 1.30 H new ATOM 0 HA THR A 52 2.648 8.364 -4.954 1.00 1.35 H new ATOM 0 HB THR A 52 1.124 10.812 -5.866 1.00 1.39 H new ATOM 0 HG1 THR A 52 -0.212 9.401 -4.652 1.00 1.34 H new ATOM 0 HG21 THR A 52 0.640 9.550 -7.941 1.00 1.45 H new ATOM 0 HG22 THR A 52 2.384 9.843 -7.739 1.00 1.45 H new ATOM 0 HG23 THR A 52 1.704 8.238 -7.383 1.00 1.45 H new ATOM 883 N ALA A 53 3.983 11.359 -5.094 1.00 1.47 N ATOM 884 CA ALA A 53 5.219 12.060 -5.440 1.00 1.55 C ATOM 885 C ALA A 53 6.475 11.512 -4.722 1.00 1.54 C ATOM 886 O ALA A 53 7.582 11.720 -5.229 1.00 1.61 O ATOM 887 CB ALA A 53 5.019 13.549 -5.128 1.00 1.61 C ATOM 0 H ALA A 53 3.331 11.916 -4.542 1.00 1.47 H new ATOM 0 HA ALA A 53 5.411 11.899 -6.501 1.00 1.55 H new ATOM 0 HB1 ALA A 53 5.927 14.098 -5.377 1.00 1.61 H new ATOM 0 HB2 ALA A 53 4.188 13.936 -5.718 1.00 1.61 H new ATOM 0 HB3 ALA A 53 4.800 13.672 -4.067 1.00 1.61 H new ATOM 893 N ARG A 54 6.323 10.828 -3.571 1.00 1.47 N ATOM 894 CA ARG A 54 7.484 10.480 -2.711 1.00 1.49 C ATOM 895 C ARG A 54 7.563 9.023 -2.225 1.00 1.44 C ATOM 896 O ARG A 54 8.572 8.658 -1.623 1.00 1.48 O ATOM 897 CB ARG A 54 7.492 11.415 -1.482 1.00 1.51 C ATOM 898 CG ARG A 54 7.614 12.923 -1.771 1.00 1.59 C ATOM 899 CD ARG A 54 8.942 13.333 -2.428 1.00 1.68 C ATOM 900 NE ARG A 54 10.116 12.992 -1.600 1.00 1.72 N ATOM 901 CZ ARG A 54 10.592 13.658 -0.562 1.00 1.77 C ATOM 902 NH1 ARG A 54 10.047 14.762 -0.129 1.00 1.79 N ATOM 903 NH2 ARG A 54 11.643 13.223 0.072 1.00 1.82 N ATOM 0 H ARG A 54 5.423 10.507 -3.214 1.00 1.47 H new ATOM 0 HA ARG A 54 8.356 10.610 -3.352 1.00 1.49 H new ATOM 0 HB2 ARG A 54 6.573 11.248 -0.919 1.00 1.51 H new ATOM 0 HB3 ARG A 54 8.319 11.123 -0.835 1.00 1.51 H new ATOM 0 HG2 ARG A 54 6.792 13.225 -2.420 1.00 1.59 H new ATOM 0 HG3 ARG A 54 7.500 13.471 -0.836 1.00 1.59 H new ATOM 0 HD2 ARG A 54 9.030 12.841 -3.397 1.00 1.68 H new ATOM 0 HD3 ARG A 54 8.934 14.407 -2.615 1.00 1.68 H new ATOM 0 HE ARG A 54 10.619 12.143 -1.859 1.00 1.72 H new ATOM 0 HH11 ARG A 54 9.223 15.141 -0.595 1.00 1.79 H new ATOM 0 HH12 ARG A 54 10.445 15.246 0.676 1.00 1.79 H new ATOM 0 HH21 ARG A 54 12.103 12.365 -0.232 1.00 1.82 H new ATOM 0 HH22 ARG A 54 12.006 13.741 0.872 1.00 1.82 H new ATOM 917 N ARG A 55 6.540 8.189 -2.472 1.00 1.37 N ATOM 918 CA ARG A 55 6.368 6.840 -1.874 1.00 1.32 C ATOM 919 C ARG A 55 6.487 6.925 -0.349 1.00 1.31 C ATOM 920 O ARG A 55 7.298 6.268 0.304 1.00 1.35 O ATOM 921 CB ARG A 55 7.278 5.795 -2.562 1.00 1.37 C ATOM 922 CG ARG A 55 7.296 5.882 -4.105 1.00 1.40 C ATOM 923 CD ARG A 55 5.915 5.764 -4.777 1.00 1.35 C ATOM 924 NE ARG A 55 5.746 6.753 -5.863 1.00 1.40 N ATOM 925 CZ ARG A 55 6.164 6.674 -7.112 1.00 1.46 C ATOM 926 NH1 ARG A 55 6.809 5.641 -7.577 1.00 1.49 N ATOM 927 NH2 ARG A 55 5.932 7.667 -7.918 1.00 1.51 N ATOM 0 H ARG A 55 5.784 8.435 -3.111 1.00 1.37 H new ATOM 0 HA ARG A 55 5.361 6.469 -2.065 1.00 1.32 H new ATOM 0 HB2 ARG A 55 8.296 5.917 -2.191 1.00 1.37 H new ATOM 0 HB3 ARG A 55 6.950 4.797 -2.270 1.00 1.37 H new ATOM 0 HG2 ARG A 55 7.745 6.832 -4.396 1.00 1.40 H new ATOM 0 HG3 ARG A 55 7.941 5.093 -4.491 1.00 1.40 H new ATOM 0 HD2 ARG A 55 5.791 4.758 -5.179 1.00 1.35 H new ATOM 0 HD3 ARG A 55 5.134 5.907 -4.030 1.00 1.35 H new ATOM 0 HE ARG A 55 5.242 7.605 -5.615 1.00 1.40 H new ATOM 0 HH11 ARG A 55 7.010 4.848 -6.967 1.00 1.49 H new ATOM 0 HH12 ARG A 55 7.112 5.625 -8.551 1.00 1.49 H new ATOM 0 HH21 ARG A 55 5.434 8.491 -7.582 1.00 1.51 H new ATOM 0 HH22 ARG A 55 6.248 7.622 -8.887 1.00 1.51 H new ATOM 941 N GLN A 56 5.630 7.799 0.188 1.00 1.28 N ATOM 942 CA GLN A 56 5.668 8.165 1.609 1.00 1.29 C ATOM 943 C GLN A 56 4.924 7.154 2.508 1.00 1.24 C ATOM 944 O GLN A 56 4.903 7.336 3.725 1.00 1.25 O ATOM 945 CB GLN A 56 5.143 9.603 1.799 1.00 1.30 C ATOM 946 CG GLN A 56 5.901 10.409 2.873 1.00 1.37 C ATOM 947 CD GLN A 56 7.143 11.109 2.318 1.00 1.46 C ATOM 948 OE1 GLN A 56 8.343 10.631 2.569 1.00 1.49 O flip ATOM 949 NE2 GLN A 56 7.057 12.123 1.641 1.00 1.51 N flip ATOM 0 H GLN A 56 4.897 8.269 -0.343 1.00 1.28 H new ATOM 0 HA GLN A 56 6.709 8.131 1.931 1.00 1.29 H new ATOM 0 HB2 GLN A 56 5.209 10.132 0.848 1.00 1.30 H new ATOM 0 HB3 GLN A 56 4.088 9.561 2.068 1.00 1.30 H new ATOM 0 HG2 GLN A 56 5.231 11.153 3.303 1.00 1.37 H new ATOM 0 HG3 GLN A 56 6.196 9.741 3.682 1.00 1.37 H new ATOM 0 HE21 GLN A 56 6.141 12.518 1.429 1.00 1.51 H new ATOM 0 HE22 GLN A 56 7.901 12.574 1.288 1.00 1.51 H new ATOM 958 N TRP A 57 4.350 6.069 1.960 1.00 1.19 N ATOM 959 CA TRP A 57 3.723 4.989 2.742 1.00 1.17 C ATOM 960 C TRP A 57 4.647 4.389 3.804 1.00 1.24 C ATOM 961 O TRP A 57 4.176 4.040 4.882 1.00 1.24 O ATOM 962 CB TRP A 57 3.173 3.876 1.842 1.00 1.15 C ATOM 963 CG TRP A 57 1.966 4.254 1.059 1.00 1.11 C ATOM 964 CD1 TRP A 57 1.946 4.650 -0.231 1.00 1.11 C ATOM 965 CD2 TRP A 57 0.582 4.276 1.518 1.00 1.07 C ATOM 966 NE1 TRP A 57 0.647 4.943 -0.590 1.00 1.09 N ATOM 967 CE2 TRP A 57 -0.236 4.748 0.450 1.00 1.07 C ATOM 968 CE3 TRP A 57 -0.062 3.966 2.733 1.00 1.07 C ATOM 969 CZ2 TRP A 57 -1.619 4.931 0.589 1.00 1.06 C ATOM 970 CZ3 TRP A 57 -1.449 4.129 2.883 1.00 1.06 C ATOM 971 CH2 TRP A 57 -2.221 4.615 1.817 1.00 1.06 C ATOM 0 H TRP A 57 4.308 5.916 0.952 1.00 1.19 H new ATOM 0 HA TRP A 57 2.894 5.465 3.266 1.00 1.17 H new ATOM 0 HB2 TRP A 57 3.956 3.565 1.151 1.00 1.15 H new ATOM 0 HB3 TRP A 57 2.933 3.011 2.461 1.00 1.15 H new ATOM 0 HD1 TRP A 57 2.808 4.725 -0.878 1.00 1.11 H new ATOM 0 HE1 TRP A 57 0.372 5.266 -1.517 1.00 1.09 H new ATOM 0 HE3 TRP A 57 0.521 3.597 3.563 1.00 1.07 H new ATOM 0 HZ2 TRP A 57 -2.210 5.308 -0.233 1.00 1.06 H new ATOM 0 HZ3 TRP A 57 -1.922 3.880 3.821 1.00 1.06 H new ATOM 0 HH2 TRP A 57 -3.286 4.747 1.942 1.00 1.06 H new ATOM 982 N LYS A 58 5.953 4.378 3.549 1.00 1.32 N ATOM 983 CA LYS A 58 6.910 3.897 4.545 1.00 1.42 C ATOM 984 C LYS A 58 6.826 4.775 5.807 1.00 1.43 C ATOM 985 O LYS A 58 7.100 4.317 6.916 1.00 1.51 O ATOM 986 CB LYS A 58 8.333 3.916 3.976 1.00 1.54 C ATOM 987 CG LYS A 58 8.504 3.039 2.749 1.00 1.98 C ATOM 988 CD LYS A 58 9.091 1.683 3.105 1.00 2.07 C ATOM 989 CE LYS A 58 9.315 0.842 1.859 1.00 2.58 C ATOM 990 NZ LYS A 58 9.923 -0.484 2.162 1.00 2.89 N ATOM 0 H LYS A 58 6.370 4.692 2.673 1.00 1.32 H new ATOM 0 HA LYS A 58 6.662 2.868 4.807 1.00 1.42 H new ATOM 0 HB2 LYS A 58 8.600 4.941 3.721 1.00 1.54 H new ATOM 0 HB3 LYS A 58 9.029 3.588 4.748 1.00 1.54 H new ATOM 0 HG2 LYS A 58 7.538 2.901 2.263 1.00 1.98 H new ATOM 0 HG3 LYS A 58 9.154 3.540 2.031 1.00 1.98 H new ATOM 0 HD2 LYS A 58 10.036 1.819 3.631 1.00 2.07 H new ATOM 0 HD3 LYS A 58 8.420 1.159 3.786 1.00 2.07 H new ATOM 0 HE2 LYS A 58 8.363 0.693 1.350 1.00 2.58 H new ATOM 0 HE3 LYS A 58 9.962 1.385 1.171 1.00 2.58 H new ATOM 0 HZ1 LYS A 58 10.054 -1.016 1.278 1.00 2.89 H new ATOM 0 HZ2 LYS A 58 10.845 -0.346 2.623 1.00 2.89 H new ATOM 0 HZ3 LYS A 58 9.295 -1.017 2.797 1.00 2.89 H new ATOM 1004 N HIS A 59 6.460 6.051 5.607 1.00 1.39 N ATOM 1005 CA HIS A 59 6.307 7.025 6.697 1.00 1.40 C ATOM 1006 C HIS A 59 4.963 6.843 7.440 1.00 1.32 C ATOM 1007 O HIS A 59 4.881 7.085 8.640 1.00 1.35 O ATOM 1008 CB HIS A 59 6.506 8.446 6.164 1.00 1.43 C ATOM 1009 CG HIS A 59 7.874 8.661 5.572 1.00 1.58 C ATOM 1010 ND1 HIS A 59 8.503 8.040 4.541 1.00 1.81 N flip ATOM 1011 CD2 HIS A 59 8.767 9.600 6.044 1.00 1.59 C flip ATOM 1012 CE1 HIS A 59 9.748 8.605 4.414 1.00 1.93 C flip ATOM 1013 NE2 HIS A 59 9.883 9.545 5.333 1.00 1.79 N flip ATOM 0 H HIS A 59 6.262 6.436 4.683 1.00 1.39 H new ATOM 0 HA HIS A 59 7.083 6.844 7.441 1.00 1.40 H new ATOM 0 HB2 HIS A 59 5.750 8.654 5.406 1.00 1.43 H new ATOM 0 HB3 HIS A 59 6.350 9.158 6.974 1.00 1.43 H new ATOM 0 HD2 HIS A 59 8.584 10.276 6.866 1.00 1.59 H new ATOM 0 HE1 HIS A 59 10.494 8.327 3.684 1.00 1.93 H new ATOM 0 HE2 HIS A 59 10.707 10.129 5.471 1.00 1.79 H new ATOM 1022 N ILE A 60 3.902 6.487 6.703 1.00 1.23 N ATOM 1023 CA ILE A 60 2.604 6.139 7.298 1.00 1.20 C ATOM 1024 C ILE A 60 2.840 4.937 8.209 1.00 1.27 C ATOM 1025 O ILE A 60 2.416 4.983 9.353 1.00 1.33 O ATOM 1026 CB ILE A 60 1.504 5.891 6.242 1.00 1.15 C ATOM 1027 CG1 ILE A 60 1.128 7.249 5.606 1.00 1.14 C ATOM 1028 CG2 ILE A 60 0.269 5.213 6.872 1.00 1.18 C ATOM 1029 CD1 ILE A 60 0.199 7.141 4.396 1.00 1.14 C ATOM 0 H ILE A 60 3.918 6.432 5.685 1.00 1.23 H new ATOM 0 HA ILE A 60 2.220 6.978 7.878 1.00 1.20 H new ATOM 0 HB ILE A 60 1.878 5.214 5.474 1.00 1.15 H new ATOM 0 HG12 ILE A 60 0.650 7.871 6.362 1.00 1.14 H new ATOM 0 HG13 ILE A 60 2.042 7.761 5.303 1.00 1.14 H new ATOM 0 HG21 ILE A 60 -0.488 5.051 6.105 1.00 1.18 H new ATOM 0 HG22 ILE A 60 0.560 4.255 7.303 1.00 1.18 H new ATOM 0 HG23 ILE A 60 -0.138 5.854 7.654 1.00 1.18 H new ATOM 0 HD11 ILE A 60 -0.015 8.138 4.011 1.00 1.14 H new ATOM 0 HD12 ILE A 60 0.681 6.548 3.619 1.00 1.14 H new ATOM 0 HD13 ILE A 60 -0.733 6.660 4.694 1.00 1.14 H new ATOM 1238 N THR A 77 -0.445 -1.308 1.822 1.00 1.35 N ATOM 1239 CA THR A 77 -1.586 -0.477 2.214 1.00 1.39 C ATOM 1240 C THR A 77 -2.002 0.468 1.081 1.00 1.34 C ATOM 1241 O THR A 77 -3.169 0.846 0.975 1.00 1.38 O ATOM 1242 CB THR A 77 -1.261 0.358 3.474 1.00 1.41 C ATOM 1243 OG1 THR A 77 -0.693 -0.478 4.491 1.00 1.48 O ATOM 1244 CG2 THR A 77 -2.511 1.033 4.021 1.00 1.49 C ATOM 0 HA THR A 77 -2.411 -1.154 2.434 1.00 1.39 H new ATOM 0 HB THR A 77 -0.543 1.126 3.187 1.00 1.41 H new ATOM 0 HG1 THR A 77 -0.350 -1.301 4.084 1.00 1.48 H new ATOM 0 HG21 THR A 77 -2.253 1.613 4.907 1.00 1.49 H new ATOM 0 HG22 THR A 77 -2.929 1.695 3.262 1.00 1.49 H new ATOM 0 HG23 THR A 77 -3.248 0.275 4.286 1.00 1.49 H new ATOM 1252 N ARG A 78 -1.030 0.846 0.243 1.00 1.27 N ATOM 1253 CA ARG A 78 -1.269 1.736 -0.901 1.00 1.25 C ATOM 1254 C ARG A 78 -2.313 1.145 -1.850 1.00 1.30 C ATOM 1255 O ARG A 78 -3.146 1.855 -2.413 1.00 1.29 O ATOM 1256 CB ARG A 78 0.051 1.953 -1.657 1.00 1.25 C ATOM 1257 CG ARG A 78 -0.082 2.746 -2.950 1.00 1.33 C ATOM 1258 CD ARG A 78 1.120 2.526 -3.862 1.00 1.40 C ATOM 1259 NE ARG A 78 1.361 3.667 -4.746 1.00 1.56 N ATOM 1260 CZ ARG A 78 2.567 4.014 -5.199 1.00 1.92 C ATOM 1261 NH1 ARG A 78 3.637 3.295 -4.880 1.00 2.01 N ATOM 1262 NH2 ARG A 78 2.700 5.082 -5.975 1.00 2.42 N ATOM 0 H ARG A 78 -0.060 0.546 0.337 1.00 1.27 H new ATOM 0 HA ARG A 78 -1.648 2.687 -0.528 1.00 1.25 H new ATOM 0 HB2 ARG A 78 0.750 2.470 -1.000 1.00 1.25 H new ATOM 0 HB3 ARG A 78 0.488 0.981 -1.886 1.00 1.25 H new ATOM 0 HG2 ARG A 78 -0.994 2.449 -3.469 1.00 1.33 H new ATOM 0 HG3 ARG A 78 -0.177 3.807 -2.720 1.00 1.33 H new ATOM 0 HD2 ARG A 78 2.007 2.346 -3.254 1.00 1.40 H new ATOM 0 HD3 ARG A 78 0.959 1.631 -4.463 1.00 1.40 H new ATOM 0 HE ARG A 78 0.560 4.230 -5.033 1.00 1.56 H new ATOM 0 HH11 ARG A 78 3.540 2.472 -4.285 1.00 2.01 H new ATOM 0 HH12 ARG A 78 4.556 3.566 -5.230 1.00 2.01 H new ATOM 0 HH21 ARG A 78 1.881 5.636 -6.224 1.00 2.42 H new ATOM 0 HH22 ARG A 78 3.621 5.349 -6.322 1.00 2.42 H new ATOM 1276 N ARG A 79 -2.241 -0.167 -1.996 1.00 1.37 N ATOM 1277 CA ARG A 79 -3.125 -0.935 -2.866 1.00 1.45 C ATOM 1278 C ARG A 79 -4.541 -1.085 -2.300 1.00 1.48 C ATOM 1279 O ARG A 79 -5.497 -1.227 -3.063 1.00 1.54 O ATOM 1280 CB ARG A 79 -2.516 -2.307 -3.205 1.00 1.52 C ATOM 1281 CG ARG A 79 -1.123 -2.199 -3.855 1.00 1.51 C ATOM 1282 CD ARG A 79 -0.571 -3.565 -4.282 1.00 1.59 C ATOM 1283 NE ARG A 79 -1.313 -4.130 -5.430 1.00 1.67 N ATOM 1284 CZ ARG A 79 -1.133 -5.318 -5.980 1.00 1.76 C ATOM 1285 NH1 ARG A 79 -0.238 -6.157 -5.539 1.00 1.79 N ATOM 1286 NH2 ARG A 79 -1.852 -5.691 -6.998 1.00 1.82 N ATOM 0 H ARG A 79 -1.555 -0.742 -1.506 1.00 1.37 H new ATOM 0 HA ARG A 79 -3.221 -0.362 -3.788 1.00 1.45 H new ATOM 0 HB2 ARG A 79 -2.442 -2.901 -2.294 1.00 1.52 H new ATOM 0 HB3 ARG A 79 -3.186 -2.840 -3.880 1.00 1.52 H new ATOM 0 HG2 ARG A 79 -1.181 -1.545 -4.725 1.00 1.51 H new ATOM 0 HG3 ARG A 79 -0.432 -1.734 -3.152 1.00 1.51 H new ATOM 0 HD2 ARG A 79 0.482 -3.464 -4.546 1.00 1.59 H new ATOM 0 HD3 ARG A 79 -0.624 -4.256 -3.441 1.00 1.59 H new ATOM 0 HE ARG A 79 -2.039 -3.542 -5.840 1.00 1.67 H new ATOM 0 HH11 ARG A 79 0.350 -5.904 -4.745 1.00 1.79 H new ATOM 0 HH12 ARG A 79 -0.126 -7.066 -5.988 1.00 1.79 H new ATOM 0 HH21 ARG A 79 -2.562 -5.065 -7.378 1.00 1.82 H new ATOM 0 HH22 ARG A 79 -1.706 -6.610 -7.416 1.00 1.82 H new ATOM 1300 N HIS A 80 -4.687 -1.007 -0.978 1.00 1.47 N ATOM 1301 CA HIS A 80 -5.979 -0.915 -0.299 1.00 1.50 C ATOM 1302 C HIS A 80 -6.557 0.503 -0.428 1.00 1.44 C ATOM 1303 O HIS A 80 -7.678 0.659 -0.906 1.00 1.48 O ATOM 1304 CB HIS A 80 -5.822 -1.367 1.164 1.00 1.52 C ATOM 1305 CG HIS A 80 -5.235 -2.756 1.308 1.00 1.60 C ATOM 1306 ND1 HIS A 80 -4.399 -3.187 2.316 1.00 1.62 N ATOM 1307 CD2 HIS A 80 -5.426 -3.829 0.470 1.00 1.68 C ATOM 1308 CE1 HIS A 80 -4.098 -4.478 2.093 1.00 1.70 C ATOM 1309 NE2 HIS A 80 -4.698 -4.916 0.974 1.00 1.74 N ATOM 0 H HIS A 80 -3.894 -1.006 -0.336 1.00 1.47 H new ATOM 0 HA HIS A 80 -6.698 -1.583 -0.774 1.00 1.50 H new ATOM 0 HB2 HIS A 80 -5.185 -0.656 1.689 1.00 1.52 H new ATOM 0 HB3 HIS A 80 -6.797 -1.341 1.651 1.00 1.52 H new ATOM 0 HD2 HIS A 80 -6.033 -3.834 -0.423 1.00 1.68 H new ATOM 0 HE1 HIS A 80 -3.462 -5.079 2.726 1.00 1.70 H new ATOM 0 HE2 HIS A 80 -4.636 -5.851 0.572 1.00 1.74 H new ATOM 1318 N TYR A 81 -5.782 1.552 -0.111 1.00 1.35 N ATOM 1319 CA TYR A 81 -6.229 2.954 -0.170 1.00 1.29 C ATOM 1320 C TYR A 81 -6.760 3.357 -1.553 1.00 1.32 C ATOM 1321 O TYR A 81 -7.773 4.055 -1.642 1.00 1.34 O ATOM 1322 CB TYR A 81 -5.065 3.866 0.260 1.00 1.21 C ATOM 1323 CG TYR A 81 -5.409 5.337 0.485 1.00 1.16 C ATOM 1324 CD1 TYR A 81 -5.662 6.190 -0.611 1.00 1.16 C ATOM 1325 CD2 TYR A 81 -5.418 5.870 1.789 1.00 1.14 C ATOM 1326 CE1 TYR A 81 -5.945 7.555 -0.403 1.00 1.14 C ATOM 1327 CE2 TYR A 81 -5.627 7.248 1.994 1.00 1.12 C ATOM 1328 CZ TYR A 81 -5.907 8.097 0.901 1.00 1.12 C ATOM 1329 OH TYR A 81 -6.172 9.414 1.119 1.00 1.11 O ATOM 0 H TYR A 81 -4.815 1.450 0.197 1.00 1.35 H new ATOM 0 HA TYR A 81 -7.069 3.069 0.515 1.00 1.29 H new ATOM 0 HB2 TYR A 81 -4.641 3.468 1.182 1.00 1.21 H new ATOM 0 HB3 TYR A 81 -4.286 3.809 -0.500 1.00 1.21 H new ATOM 0 HD1 TYR A 81 -5.639 5.794 -1.616 1.00 1.16 H new ATOM 0 HD2 TYR A 81 -5.264 5.218 2.636 1.00 1.14 H new ATOM 0 HE1 TYR A 81 -6.191 8.188 -1.243 1.00 1.14 H new ATOM 0 HE2 TYR A 81 -5.573 7.657 2.992 1.00 1.12 H new ATOM 0 HH TYR A 81 -6.561 9.808 0.310 1.00 1.11 H new ATOM 1339 N GLU A 82 -6.148 2.867 -2.643 1.00 1.34 N ATOM 1340 CA GLU A 82 -6.525 3.218 -4.012 1.00 1.39 C ATOM 1341 C GLU A 82 -7.875 2.623 -4.438 1.00 1.50 C ATOM 1342 O GLU A 82 -8.375 2.944 -5.520 1.00 1.56 O ATOM 1343 CB GLU A 82 -5.398 2.914 -5.012 1.00 1.40 C ATOM 1344 CG GLU A 82 -5.223 1.434 -5.341 1.00 1.46 C ATOM 1345 CD GLU A 82 -4.293 1.242 -6.551 1.00 1.49 C ATOM 1346 OE1 GLU A 82 -4.754 1.468 -7.698 1.00 1.56 O ATOM 1347 OE2 GLU A 82 -3.117 0.842 -6.369 1.00 1.46 O ATOM 0 H GLU A 82 -5.370 2.209 -2.593 1.00 1.34 H new ATOM 0 HA GLU A 82 -6.671 4.298 -4.022 1.00 1.39 H new ATOM 0 HB2 GLU A 82 -5.594 3.458 -5.936 1.00 1.40 H new ATOM 0 HB3 GLU A 82 -4.460 3.297 -4.610 1.00 1.40 H new ATOM 0 HG2 GLU A 82 -4.813 0.912 -4.477 1.00 1.46 H new ATOM 0 HG3 GLU A 82 -6.195 0.988 -5.551 1.00 1.46 H new ATOM 1354 N ARG A 83 -8.474 1.774 -3.583 1.00 1.53 N ATOM 1355 CA ARG A 83 -9.856 1.308 -3.761 1.00 1.64 C ATOM 1356 C ARG A 83 -10.763 1.561 -2.550 1.00 1.64 C ATOM 1357 O ARG A 83 -11.971 1.358 -2.666 1.00 1.73 O ATOM 1358 CB ARG A 83 -9.875 -0.188 -4.139 1.00 1.73 C ATOM 1359 CG ARG A 83 -9.181 -0.538 -5.463 1.00 1.75 C ATOM 1360 CD ARG A 83 -9.861 0.098 -6.688 1.00 1.81 C ATOM 1361 NE ARG A 83 -9.126 -0.230 -7.926 1.00 1.84 N ATOM 1362 CZ ARG A 83 -8.011 0.341 -8.349 1.00 1.78 C ATOM 1363 NH1 ARG A 83 -7.526 1.419 -7.811 1.00 1.68 N ATOM 1364 NH2 ARG A 83 -7.327 -0.176 -9.327 1.00 1.82 N ATOM 0 H ARG A 83 -8.014 1.395 -2.755 1.00 1.53 H new ATOM 0 HA ARG A 83 -10.268 1.904 -4.575 1.00 1.64 H new ATOM 0 HB2 ARG A 83 -9.400 -0.754 -3.338 1.00 1.73 H new ATOM 0 HB3 ARG A 83 -10.912 -0.519 -4.192 1.00 1.73 H new ATOM 0 HG2 ARG A 83 -8.143 -0.209 -5.420 1.00 1.75 H new ATOM 0 HG3 ARG A 83 -9.168 -1.621 -5.584 1.00 1.75 H new ATOM 0 HD2 ARG A 83 -10.888 -0.258 -6.765 1.00 1.81 H new ATOM 0 HD3 ARG A 83 -9.907 1.180 -6.563 1.00 1.81 H new ATOM 0 HE ARG A 83 -9.516 -0.968 -8.511 1.00 1.84 H new ATOM 0 HH11 ARG A 83 -8.009 1.860 -7.028 1.00 1.68 H new ATOM 0 HH12 ARG A 83 -6.662 1.824 -8.171 1.00 1.68 H new ATOM 0 HH21 ARG A 83 -7.649 -1.032 -9.778 1.00 1.82 H new ATOM 0 HH22 ARG A 83 -6.469 0.275 -9.643 1.00 1.82 H new ATOM 1378 N LEU A 84 -10.214 2.026 -1.423 1.00 1.56 N ATOM 1379 CA LEU A 84 -10.949 2.076 -0.157 1.00 1.57 C ATOM 1380 C LEU A 84 -11.161 3.512 0.353 1.00 1.51 C ATOM 1381 O LEU A 84 -11.940 3.720 1.276 1.00 1.54 O ATOM 1382 CB LEU A 84 -10.158 1.201 0.829 1.00 1.56 C ATOM 1383 CG LEU A 84 -10.819 0.935 2.183 1.00 1.61 C ATOM 1384 CD1 LEU A 84 -12.156 0.214 2.052 1.00 1.73 C ATOM 1385 CD2 LEU A 84 -9.897 0.068 3.036 1.00 1.61 C ATOM 0 H LEU A 84 -9.257 2.375 -1.363 1.00 1.56 H new ATOM 0 HA LEU A 84 -11.963 1.695 -0.282 1.00 1.57 H new ATOM 0 HB2 LEU A 84 -9.960 0.242 0.351 1.00 1.56 H new ATOM 0 HB3 LEU A 84 -9.192 1.674 1.007 1.00 1.56 H new ATOM 0 HG LEU A 84 -10.997 1.906 2.644 1.00 1.61 H new ATOM 0 HD11 LEU A 84 -12.580 0.051 3.043 1.00 1.73 H new ATOM 0 HD12 LEU A 84 -12.840 0.821 1.460 1.00 1.73 H new ATOM 0 HD13 LEU A 84 -12.005 -0.747 1.560 1.00 1.73 H new ATOM 0 HD21 LEU A 84 -10.367 -0.122 4.001 1.00 1.61 H new ATOM 0 HD22 LEU A 84 -9.715 -0.879 2.528 1.00 1.61 H new ATOM 0 HD23 LEU A 84 -8.950 0.585 3.189 1.00 1.61 H new ATOM 1397 N ILE A 85 -10.502 4.503 -0.259 1.00 1.44 N ATOM 1398 CA ILE A 85 -10.829 5.922 -0.021 1.00 1.41 C ATOM 1399 C ILE A 85 -10.383 6.860 -1.140 1.00 1.39 C ATOM 1400 O ILE A 85 -11.015 7.895 -1.307 1.00 1.42 O ATOM 1401 CB ILE A 85 -10.346 6.400 1.361 1.00 1.35 C ATOM 1402 CG1 ILE A 85 -10.953 7.785 1.692 1.00 1.35 C ATOM 1403 CG2 ILE A 85 -8.818 6.415 1.465 1.00 1.26 C ATOM 1404 CD1 ILE A 85 -11.031 8.085 3.189 1.00 1.33 C ATOM 0 H ILE A 85 -9.741 4.354 -0.921 1.00 1.44 H new ATOM 0 HA ILE A 85 -11.918 5.971 -0.025 1.00 1.41 H new ATOM 0 HB ILE A 85 -10.698 5.684 2.103 1.00 1.35 H new ATOM 0 HG12 ILE A 85 -10.356 8.558 1.207 1.00 1.35 H new ATOM 0 HG13 ILE A 85 -11.955 7.843 1.267 1.00 1.35 H new ATOM 0 HG21 ILE A 85 -8.524 6.759 2.457 1.00 1.26 H new ATOM 0 HG22 ILE A 85 -8.432 5.409 1.301 1.00 1.26 H new ATOM 0 HG23 ILE A 85 -8.409 7.088 0.712 1.00 1.26 H new ATOM 0 HD11 ILE A 85 -11.467 9.073 3.340 1.00 1.33 H new ATOM 0 HD12 ILE A 85 -11.653 7.335 3.678 1.00 1.33 H new ATOM 0 HD13 ILE A 85 -10.029 8.061 3.617 1.00 1.33 H new ATOM 1416 N LEU A 86 -9.408 6.500 -1.983 1.00 1.37 N ATOM 1417 CA LEU A 86 -9.127 7.240 -3.221 1.00 1.39 C ATOM 1418 C LEU A 86 -10.398 7.526 -4.068 1.00 1.49 C ATOM 1419 O LEU A 86 -10.535 8.659 -4.541 1.00 1.52 O ATOM 1420 CB LEU A 86 -8.044 6.487 -4.009 1.00 1.37 C ATOM 1421 CG LEU A 86 -7.595 7.133 -5.332 1.00 1.41 C ATOM 1422 CD1 LEU A 86 -7.063 8.557 -5.141 1.00 1.37 C ATOM 1423 CD2 LEU A 86 -6.497 6.300 -5.982 1.00 1.40 C ATOM 0 H LEU A 86 -8.797 5.697 -1.830 1.00 1.37 H new ATOM 0 HA LEU A 86 -8.755 8.230 -2.958 1.00 1.39 H new ATOM 0 HB2 LEU A 86 -7.169 6.375 -3.368 1.00 1.37 H new ATOM 0 HB3 LEU A 86 -8.412 5.484 -4.225 1.00 1.37 H new ATOM 0 HG LEU A 86 -8.480 7.175 -5.968 1.00 1.41 H new ATOM 0 HD11 LEU A 86 -6.760 8.965 -6.106 1.00 1.37 H new ATOM 0 HD12 LEU A 86 -7.845 9.183 -4.712 1.00 1.37 H new ATOM 0 HD13 LEU A 86 -6.204 8.538 -4.470 1.00 1.37 H new ATOM 0 HD21 LEU A 86 -6.190 6.769 -6.917 1.00 1.40 H new ATOM 0 HD22 LEU A 86 -5.642 6.237 -5.309 1.00 1.40 H new ATOM 0 HD23 LEU A 86 -6.873 5.297 -6.186 1.00 1.40 H new ATOM 1435 N PRO A 87 -11.370 6.592 -4.224 1.00 1.58 N ATOM 1436 CA PRO A 87 -12.647 6.898 -4.881 1.00 1.69 C ATOM 1437 C PRO A 87 -13.629 7.752 -4.052 1.00 1.71 C ATOM 1438 O PRO A 87 -14.563 8.297 -4.648 1.00 1.80 O ATOM 1439 CB PRO A 87 -13.262 5.539 -5.239 1.00 1.78 C ATOM 1440 CG PRO A 87 -12.686 4.597 -4.188 1.00 1.71 C ATOM 1441 CD PRO A 87 -11.278 5.149 -3.990 1.00 1.59 C ATOM 0 HA PRO A 87 -12.453 7.525 -5.751 1.00 1.69 H new ATOM 0 HB2 PRO A 87 -14.351 5.568 -5.198 1.00 1.78 H new ATOM 0 HB3 PRO A 87 -12.990 5.229 -6.248 1.00 1.78 H new ATOM 0 HG2 PRO A 87 -13.264 4.617 -3.264 1.00 1.71 H new ATOM 0 HG3 PRO A 87 -12.672 3.563 -4.533 1.00 1.71 H new ATOM 0 HD2 PRO A 87 -10.916 4.940 -2.984 1.00 1.59 H new ATOM 0 HD3 PRO A 87 -10.577 4.686 -4.684 1.00 1.59 H new ATOM 1449 N TYR A 88 -13.455 7.902 -2.726 1.00 1.63 N ATOM 1450 CA TYR A 88 -14.401 8.653 -1.877 1.00 1.66 C ATOM 1451 C TYR A 88 -13.871 10.015 -1.390 1.00 1.59 C ATOM 1452 O TYR A 88 -14.655 10.957 -1.315 1.00 1.64 O ATOM 1453 CB TYR A 88 -14.951 7.759 -0.748 1.00 1.68 C ATOM 1454 CG TYR A 88 -16.378 7.263 -0.973 1.00 1.80 C ATOM 1455 CD1 TYR A 88 -16.810 6.829 -2.247 1.00 1.89 C ATOM 1456 CD2 TYR A 88 -17.289 7.239 0.102 1.00 1.84 C ATOM 1457 CE1 TYR A 88 -18.131 6.382 -2.440 1.00 2.01 C ATOM 1458 CE2 TYR A 88 -18.615 6.801 -0.088 1.00 1.97 C ATOM 1459 CZ TYR A 88 -19.040 6.368 -1.361 1.00 2.05 C ATOM 1460 OH TYR A 88 -20.316 5.935 -1.556 1.00 2.17 O ATOM 0 H TYR A 88 -12.663 7.511 -2.216 1.00 1.63 H new ATOM 0 HA TYR A 88 -15.243 8.927 -2.512 1.00 1.66 H new ATOM 0 HB2 TYR A 88 -14.294 6.897 -0.631 1.00 1.68 H new ATOM 0 HB3 TYR A 88 -14.916 8.315 0.189 1.00 1.68 H new ATOM 0 HD1 TYR A 88 -16.121 6.840 -3.079 1.00 1.89 H new ATOM 0 HD2 TYR A 88 -16.968 7.560 1.082 1.00 1.84 H new ATOM 0 HE1 TYR A 88 -18.449 6.049 -3.417 1.00 2.01 H new ATOM 0 HE2 TYR A 88 -19.306 6.797 0.742 1.00 1.97 H new ATOM 0 HH TYR A 88 -20.812 5.988 -0.712 1.00 2.17 H new ATOM 1470 N GLU A 89 -12.559 10.219 -1.207 1.00 1.50 N ATOM 1471 CA GLU A 89 -11.996 11.575 -1.004 1.00 1.46 C ATOM 1472 C GLU A 89 -12.327 12.526 -2.181 1.00 1.53 C ATOM 1473 O GLU A 89 -12.268 13.746 -2.042 1.00 1.55 O ATOM 1474 CB GLU A 89 -10.479 11.547 -0.712 1.00 1.36 C ATOM 1475 CG GLU A 89 -9.589 11.139 -1.900 1.00 1.35 C ATOM 1476 CD GLU A 89 -8.101 11.438 -1.627 1.00 1.27 C ATOM 1477 OE1 GLU A 89 -7.442 10.672 -0.883 1.00 1.21 O ATOM 1478 OE2 GLU A 89 -7.580 12.443 -2.174 1.00 1.29 O ATOM 0 H GLU A 89 -11.865 9.471 -1.194 1.00 1.50 H new ATOM 0 HA GLU A 89 -12.484 11.976 -0.115 1.00 1.46 H new ATOM 0 HB2 GLU A 89 -10.173 12.536 -0.372 1.00 1.36 H new ATOM 0 HB3 GLU A 89 -10.297 10.857 0.112 1.00 1.36 H new ATOM 0 HG2 GLU A 89 -9.715 10.075 -2.101 1.00 1.35 H new ATOM 0 HG3 GLU A 89 -9.909 11.673 -2.795 1.00 1.35 H new ATOM 1485 N ARG A 90 -12.772 11.939 -3.303 1.00 1.61 N ATOM 1486 CA ARG A 90 -13.341 12.689 -4.429 1.00 1.71 C ATOM 1487 C ARG A 90 -14.466 13.662 -4.027 1.00 1.78 C ATOM 1488 O ARG A 90 -14.526 14.750 -4.597 1.00 1.83 O ATOM 1489 CB ARG A 90 -13.794 11.677 -5.499 1.00 1.78 C ATOM 1490 CG ARG A 90 -14.128 12.334 -6.844 1.00 1.89 C ATOM 1491 CD ARG A 90 -14.408 11.266 -7.908 1.00 1.97 C ATOM 1492 NE ARG A 90 -14.688 11.873 -9.223 1.00 2.08 N ATOM 1493 CZ ARG A 90 -14.774 11.244 -10.382 1.00 2.16 C ATOM 1494 NH1 ARG A 90 -14.628 9.953 -10.486 1.00 2.15 N ATOM 1495 NH2 ARG A 90 -15.011 11.909 -11.476 1.00 2.25 N ATOM 0 H ARG A 90 -12.747 10.930 -3.453 1.00 1.61 H new ATOM 0 HA ARG A 90 -12.567 13.341 -4.835 1.00 1.71 H new ATOM 0 HB2 ARG A 90 -13.007 10.938 -5.648 1.00 1.78 H new ATOM 0 HB3 ARG A 90 -14.671 11.141 -5.136 1.00 1.78 H new ATOM 0 HG2 ARG A 90 -14.997 12.982 -6.733 1.00 1.89 H new ATOM 0 HG3 ARG A 90 -13.299 12.965 -7.163 1.00 1.89 H new ATOM 0 HD2 ARG A 90 -13.550 10.599 -7.990 1.00 1.97 H new ATOM 0 HD3 ARG A 90 -15.258 10.657 -7.599 1.00 1.97 H new ATOM 0 HE ARG A 90 -14.830 12.883 -9.239 1.00 2.08 H new ATOM 0 HH11 ARG A 90 -14.440 9.392 -9.655 1.00 2.15 H new ATOM 0 HH12 ARG A 90 -14.701 9.503 -11.399 1.00 2.15 H new ATOM 0 HH21 ARG A 90 -15.131 12.921 -11.442 1.00 2.25 H new ATOM 0 HH22 ARG A 90 -15.076 11.418 -12.367 1.00 2.25 H new ATOM 1509 N PHE A 91 -15.306 13.348 -3.027 1.00 1.78 N ATOM 1510 CA PHE A 91 -16.283 14.327 -2.505 1.00 1.84 C ATOM 1511 C PHE A 91 -15.638 15.408 -1.614 1.00 1.78 C ATOM 1512 O PHE A 91 -16.112 16.543 -1.590 1.00 1.84 O ATOM 1513 CB PHE A 91 -17.486 13.649 -1.812 1.00 1.89 C ATOM 1514 CG PHE A 91 -17.247 12.961 -0.473 1.00 1.82 C ATOM 1515 CD1 PHE A 91 -17.020 13.714 0.700 1.00 1.77 C ATOM 1516 CD2 PHE A 91 -17.306 11.556 -0.381 1.00 1.81 C ATOM 1517 CE1 PHE A 91 -16.754 13.067 1.919 1.00 1.71 C ATOM 1518 CE2 PHE A 91 -17.029 10.912 0.835 1.00 1.76 C ATOM 1519 CZ PHE A 91 -16.722 11.666 1.975 1.00 1.70 C ATOM 0 H PHE A 91 -15.332 12.438 -2.567 1.00 1.78 H new ATOM 0 HA PHE A 91 -16.673 14.847 -3.380 1.00 1.84 H new ATOM 0 HB2 PHE A 91 -18.257 14.406 -1.666 1.00 1.89 H new ATOM 0 HB3 PHE A 91 -17.893 12.908 -2.500 1.00 1.89 H new ATOM 0 HD1 PHE A 91 -17.051 14.793 0.660 1.00 1.77 H new ATOM 0 HD2 PHE A 91 -17.566 10.971 -1.251 1.00 1.81 H new ATOM 0 HE1 PHE A 91 -16.574 13.648 2.812 1.00 1.71 H new ATOM 0 HE2 PHE A 91 -17.053 9.834 0.892 1.00 1.76 H new ATOM 0 HZ PHE A 91 -16.461 11.168 2.897 1.00 1.70 H new ATOM 1529 N ILE A 92 -14.525 15.096 -0.934 1.00 1.67 N ATOM 1530 CA ILE A 92 -13.827 16.071 -0.071 1.00 1.62 C ATOM 1531 C ILE A 92 -13.068 17.080 -0.941 1.00 1.64 C ATOM 1532 O ILE A 92 -13.099 18.285 -0.701 1.00 1.69 O ATOM 1533 CB ILE A 92 -12.858 15.347 0.903 1.00 1.52 C ATOM 1534 CG1 ILE A 92 -13.588 14.250 1.715 1.00 1.51 C ATOM 1535 CG2 ILE A 92 -12.195 16.365 1.853 1.00 1.49 C ATOM 1536 CD1 ILE A 92 -12.685 13.400 2.616 1.00 1.43 C ATOM 0 H ILE A 92 -14.085 14.176 -0.963 1.00 1.67 H new ATOM 0 HA ILE A 92 -14.565 16.605 0.527 1.00 1.62 H new ATOM 0 HB ILE A 92 -12.085 14.862 0.307 1.00 1.52 H new ATOM 0 HG12 ILE A 92 -14.350 14.724 2.334 1.00 1.51 H new ATOM 0 HG13 ILE A 92 -14.107 13.590 1.020 1.00 1.51 H new ATOM 0 HG21 ILE A 92 -11.518 15.844 2.530 1.00 1.49 H new ATOM 0 HG22 ILE A 92 -11.633 17.095 1.270 1.00 1.49 H new ATOM 0 HG23 ILE A 92 -12.964 16.877 2.432 1.00 1.49 H new ATOM 0 HD11 ILE A 92 -13.289 12.661 3.143 1.00 1.43 H new ATOM 0 HD12 ILE A 92 -11.938 12.891 2.007 1.00 1.43 H new ATOM 0 HD13 ILE A 92 -12.185 14.043 3.341 1.00 1.43 H new ATOM 1548 N LYS A 93 -12.433 16.576 -2.001 1.00 1.63 N ATOM 1549 CA LYS A 93 -11.535 17.368 -2.855 1.00 1.66 C ATOM 1550 C LYS A 93 -12.245 17.986 -4.069 1.00 1.78 C ATOM 1551 O LYS A 93 -11.642 18.759 -4.814 1.00 1.82 O ATOM 1552 CB LYS A 93 -10.394 16.419 -3.244 1.00 1.58 C ATOM 1553 CG LYS A 93 -9.116 17.135 -3.696 1.00 1.58 C ATOM 1554 CD LYS A 93 -7.915 16.187 -3.604 1.00 1.49 C ATOM 1555 CE LYS A 93 -8.041 14.993 -4.560 1.00 1.50 C ATOM 1556 NZ LYS A 93 -6.928 14.039 -4.356 1.00 1.41 N ATOM 0 H LYS A 93 -12.525 15.604 -2.295 1.00 1.63 H new ATOM 0 HA LYS A 93 -11.155 18.239 -2.321 1.00 1.66 H new ATOM 0 HB2 LYS A 93 -10.159 15.781 -2.392 1.00 1.58 H new ATOM 0 HB3 LYS A 93 -10.736 15.766 -4.047 1.00 1.58 H new ATOM 0 HG2 LYS A 93 -9.232 17.488 -4.721 1.00 1.58 H new ATOM 0 HG3 LYS A 93 -8.943 18.013 -3.074 1.00 1.58 H new ATOM 0 HD2 LYS A 93 -7.002 16.737 -3.832 1.00 1.49 H new ATOM 0 HD3 LYS A 93 -7.820 15.822 -2.581 1.00 1.49 H new ATOM 0 HE2 LYS A 93 -8.993 14.489 -4.396 1.00 1.50 H new ATOM 0 HE3 LYS A 93 -8.040 15.345 -5.592 1.00 1.50 H new ATOM 0 HZ1 LYS A 93 -6.761 13.507 -5.234 1.00 1.41 H new ATOM 0 HZ2 LYS A 93 -6.066 14.561 -4.098 1.00 1.41 H new ATOM 0 HZ3 LYS A 93 -7.173 13.377 -3.592 1.00 1.41 H new ATOM 1570 N GLY A 94 -13.533 17.667 -4.232 1.00 1.84 N ATOM 1571 CA GLY A 94 -14.356 18.187 -5.327 1.00 1.97 C ATOM 1572 C GLY A 94 -15.580 18.985 -4.863 1.00 2.05 C ATOM 1573 O GLY A 94 -16.113 19.760 -5.656 1.00 2.15 O ATOM 0 H GLY A 94 -14.035 17.038 -3.605 1.00 1.84 H new ATOM 0 HA2 GLY A 94 -13.739 18.824 -5.961 1.00 1.97 H new ATOM 0 HA3 GLY A 94 -14.691 17.353 -5.943 1.00 1.97 H new ATOM 1577 N GLU A 95 -16.010 18.847 -3.599 1.00 2.00 N ATOM 1578 CA GLU A 95 -17.224 19.502 -3.067 1.00 2.08 C ATOM 1579 C GLU A 95 -17.092 20.001 -1.610 1.00 2.02 C ATOM 1580 O GLU A 95 -18.092 20.207 -0.915 1.00 2.07 O ATOM 1581 CB GLU A 95 -18.458 18.580 -3.233 1.00 2.13 C ATOM 1582 CG GLU A 95 -18.764 18.167 -4.679 1.00 2.21 C ATOM 1583 CD GLU A 95 -20.086 17.385 -4.760 1.00 2.29 C ATOM 1584 OE1 GLU A 95 -21.163 18.009 -4.936 1.00 2.40 O ATOM 1585 OE2 GLU A 95 -20.065 16.131 -4.666 1.00 2.26 O ATOM 0 H GLU A 95 -15.524 18.274 -2.909 1.00 2.00 H new ATOM 0 HA GLU A 95 -17.363 20.402 -3.666 1.00 2.08 H new ATOM 0 HB2 GLU A 95 -18.304 17.680 -2.638 1.00 2.13 H new ATOM 0 HB3 GLU A 95 -19.331 19.088 -2.823 1.00 2.13 H new ATOM 0 HG2 GLU A 95 -18.823 19.054 -5.310 1.00 2.21 H new ATOM 0 HG3 GLU A 95 -17.950 17.554 -5.066 1.00 2.21 H new ATOM 1592 N GLU A 96 -15.862 20.238 -1.138 1.00 1.94 N ATOM 1593 CA GLU A 96 -15.596 20.834 0.186 1.00 1.90 C ATOM 1594 C GLU A 96 -14.276 21.631 0.280 1.00 1.87 C ATOM 1595 O GLU A 96 -14.277 22.755 0.783 1.00 1.92 O ATOM 1596 CB GLU A 96 -15.648 19.738 1.274 1.00 1.82 C ATOM 1597 CG GLU A 96 -15.667 20.329 2.689 1.00 1.81 C ATOM 1598 CD GLU A 96 -15.876 19.229 3.749 1.00 1.76 C ATOM 1599 OE1 GLU A 96 -17.046 18.926 4.090 1.00 1.81 O ATOM 1600 OE2 GLU A 96 -14.875 18.678 4.266 1.00 1.68 O ATOM 0 H GLU A 96 -15.015 20.022 -1.664 1.00 1.94 H new ATOM 0 HA GLU A 96 -16.384 21.569 0.348 1.00 1.90 H new ATOM 0 HB2 GLU A 96 -16.536 19.123 1.127 1.00 1.82 H new ATOM 0 HB3 GLU A 96 -14.785 19.081 1.168 1.00 1.82 H new ATOM 0 HG2 GLU A 96 -14.729 20.850 2.881 1.00 1.81 H new ATOM 0 HG3 GLU A 96 -16.464 21.069 2.767 1.00 1.81 H new ATOM 1607 N ASP A 97 -13.171 21.053 -0.183 1.00 1.80 N ATOM 1608 CA ASP A 97 -11.881 21.737 -0.121 1.00 1.78 C ATOM 1609 C ASP A 97 -10.921 21.204 -1.176 1.00 1.87 C ATOM 1610 O ASP A 97 -10.766 19.995 -1.334 1.00 2.33 O ATOM 1611 CB ASP A 97 -11.263 21.572 1.269 1.00 1.78 C ATOM 1612 CG ASP A 97 -10.054 22.462 1.476 1.00 2.14 C ATOM 1613 OD1 ASP A 97 -10.229 23.697 1.546 1.00 2.70 O ATOM 1614 OD2 ASP A 97 -8.929 21.925 1.565 1.00 2.20 O ATOM 0 H ASP A 97 -13.141 20.123 -0.601 1.00 1.80 H new ATOM 0 HA ASP A 97 -12.054 22.795 -0.319 1.00 1.78 H new ATOM 0 HB2 ASP A 97 -12.013 21.801 2.026 1.00 1.78 H new ATOM 0 HB3 ASP A 97 -10.973 20.531 1.413 1.00 1.78 H new