USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=16 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 : amide:sc= -0.031 X(o=-0.095,f=-0.37) USER MOD Set 1.2: A 59 HIS : no HD1:sc= -0.0644 X(o=-0.095,f=-0.37) USER MOD Set 2.1: A 12 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 16 LYS NZ :NH3+ 156:sc= 1.25 (180deg=1.16) USER MOD Single : A 1 ARG N :NH3+ -162:sc= 1.11 (180deg=0.549) USER MOD Single : A 5 GLN : amide:sc= 1.24 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= 0.0167 USER MOD Single : A 15 MET CE :methyl 178:sc= -0.679 (180deg=-0.708) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 68:sc= 0.193 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 3:sc= 0.199 USER MOD Single : A 38 MET CE :methyl 170:sc= -0.129 (180deg=-0.287) USER MOD Single : A 40 GLN : amide:sc= 0.517 K(o=0.52,f=0) USER MOD Single : A 43 GLN : amide:sc= -0.126 X(o=-0.13,f=-0.13) 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= 0.554 USER MOD Single : A 52 THR OG1 : rot 77:sc= 0.611 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 33:sc= 0.208 USER MOD Single : A 80 HIS : no HD1:sc= -0.44 X(o=-0.44,f=-0.026) USER MOD Single : A 81 TYR OH : rot 18:sc= 1.23 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -162:sc= 1.42 (180deg=1.08) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -14.252 10.428 12.424 1.00 1.75 N ATOM 2 CA ARG A 1 -14.332 8.972 12.732 1.00 1.74 C ATOM 3 C ARG A 1 -15.646 8.331 12.274 1.00 1.77 C ATOM 4 O ARG A 1 -15.649 7.403 11.455 1.00 1.74 O ATOM 5 CB ARG A 1 -14.011 8.710 14.224 1.00 1.77 C ATOM 6 CG ARG A 1 -13.873 7.222 14.600 1.00 1.77 C ATOM 7 CD ARG A 1 -15.160 6.638 15.203 1.00 1.83 C ATOM 8 NE ARG A 1 -15.034 5.192 15.435 1.00 1.84 N ATOM 9 CZ ARG A 1 -14.590 4.562 16.502 1.00 1.86 C ATOM 10 NH1 ARG A 1 -14.170 5.181 17.567 1.00 1.89 N ATOM 11 NH2 ARG A 1 -14.569 3.264 16.489 1.00 1.87 N ATOM 0 H1 ARG A 1 -13.260 10.738 12.469 1.00 1.75 H new ATOM 0 H2 ARG A 1 -14.626 10.602 11.469 1.00 1.75 H new ATOM 0 H3 ARG A 1 -14.813 10.961 13.118 1.00 1.75 H new ATOM 0 HA ARG A 1 -13.564 8.471 12.143 1.00 1.74 H new ATOM 0 HB2 ARG A 1 -13.083 9.223 14.478 1.00 1.77 H new ATOM 0 HB3 ARG A 1 -14.797 9.154 14.834 1.00 1.77 H new ATOM 0 HG2 ARG A 1 -13.602 6.651 13.712 1.00 1.77 H new ATOM 0 HG3 ARG A 1 -13.058 7.107 15.314 1.00 1.77 H new ATOM 0 HD2 ARG A 1 -15.384 7.141 16.144 1.00 1.83 H new ATOM 0 HD3 ARG A 1 -15.998 6.829 14.532 1.00 1.83 H new ATOM 0 HE ARG A 1 -15.331 4.595 14.663 1.00 1.84 H new ATOM 0 HH11 ARG A 1 -14.176 6.200 17.600 1.00 1.89 H new ATOM 0 HH12 ARG A 1 -13.835 4.647 18.369 1.00 1.89 H new ATOM 0 HH21 ARG A 1 -14.892 2.757 15.665 1.00 1.87 H new ATOM 0 HH22 ARG A 1 -14.230 2.751 17.303 1.00 1.87 H new ATOM 27 N ALA A 2 -16.771 8.788 12.832 1.00 1.84 N ATOM 28 CA ALA A 2 -18.061 8.115 12.656 1.00 1.89 C ATOM 29 C ALA A 2 -18.571 8.130 11.206 1.00 1.88 C ATOM 30 O ALA A 2 -19.116 7.134 10.734 1.00 1.89 O ATOM 31 CB ALA A 2 -19.075 8.752 13.614 1.00 1.97 C ATOM 0 H ALA A 2 -16.814 9.626 13.412 1.00 1.84 H new ATOM 0 HA ALA A 2 -17.926 7.060 12.893 1.00 1.89 H new ATOM 0 HB1 ALA A 2 -20.042 8.264 13.497 1.00 1.97 H new ATOM 0 HB2 ALA A 2 -18.730 8.633 14.641 1.00 1.97 H new ATOM 0 HB3 ALA A 2 -19.174 9.813 13.386 1.00 1.97 H new ATOM 37 N ASP A 3 -18.346 9.227 10.478 1.00 1.87 N ATOM 38 CA ASP A 3 -18.756 9.336 9.073 1.00 1.88 C ATOM 39 C ASP A 3 -17.879 8.500 8.123 1.00 1.81 C ATOM 40 O ASP A 3 -18.398 7.961 7.148 1.00 1.82 O ATOM 41 CB ASP A 3 -18.727 10.816 8.673 1.00 1.90 C ATOM 42 CG ASP A 3 -19.344 11.056 7.284 1.00 1.92 C ATOM 43 OD1 ASP A 3 -20.573 10.853 7.128 1.00 1.98 O ATOM 44 OD2 ASP A 3 -18.616 11.491 6.361 1.00 1.89 O ATOM 0 H ASP A 3 -17.879 10.058 10.840 1.00 1.87 H new ATOM 0 HA ASP A 3 -19.764 8.932 8.981 1.00 1.88 H new ATOM 0 HB2 ASP A 3 -19.269 11.402 9.415 1.00 1.90 H new ATOM 0 HB3 ASP A 3 -17.697 11.171 8.677 1.00 1.90 H new ATOM 49 N GLU A 4 -16.590 8.311 8.446 1.00 1.74 N ATOM 50 CA GLU A 4 -15.725 7.415 7.666 1.00 1.68 C ATOM 51 C GLU A 4 -16.190 5.973 7.861 1.00 1.69 C ATOM 52 O GLU A 4 -16.394 5.243 6.893 1.00 1.68 O ATOM 53 CB GLU A 4 -14.256 7.542 8.096 1.00 1.62 C ATOM 54 CG GLU A 4 -13.678 8.959 7.965 1.00 1.61 C ATOM 55 CD GLU A 4 -13.741 9.716 9.303 1.00 1.65 C ATOM 56 OE1 GLU A 4 -14.841 10.139 9.736 1.00 1.71 O ATOM 57 OE2 GLU A 4 -12.700 9.850 9.983 1.00 1.62 O ATOM 0 H GLU A 4 -16.128 8.763 9.235 1.00 1.74 H new ATOM 0 HA GLU A 4 -15.796 7.697 6.615 1.00 1.68 H new ATOM 0 HB2 GLU A 4 -14.164 7.220 9.133 1.00 1.62 H new ATOM 0 HB3 GLU A 4 -13.654 6.860 7.496 1.00 1.62 H new ATOM 0 HG2 GLU A 4 -12.644 8.902 7.626 1.00 1.61 H new ATOM 0 HG3 GLU A 4 -14.232 9.511 7.206 1.00 1.61 H new ATOM 64 N GLN A 5 -16.457 5.583 9.116 1.00 1.72 N ATOM 65 CA GLN A 5 -17.005 4.254 9.388 1.00 1.75 C ATOM 66 C GLN A 5 -18.365 4.038 8.702 1.00 1.81 C ATOM 67 O GLN A 5 -18.539 3.036 8.009 1.00 1.81 O ATOM 68 CB GLN A 5 -17.060 3.951 10.891 1.00 1.78 C ATOM 69 CG GLN A 5 -15.651 3.735 11.478 1.00 1.73 C ATOM 70 CD GLN A 5 -15.645 2.683 12.583 1.00 1.77 C ATOM 71 OE1 GLN A 5 -15.577 2.978 13.770 1.00 1.80 O ATOM 72 NE2 GLN A 5 -15.721 1.413 12.244 1.00 1.77 N ATOM 0 H GLN A 5 -16.304 6.160 9.943 1.00 1.72 H new ATOM 0 HA GLN A 5 -16.316 3.533 8.948 1.00 1.75 H new ATOM 0 HB2 GLN A 5 -17.549 4.775 11.411 1.00 1.78 H new ATOM 0 HB3 GLN A 5 -17.666 3.061 11.062 1.00 1.78 H new ATOM 0 HG2 GLN A 5 -14.971 3.429 10.683 1.00 1.73 H new ATOM 0 HG3 GLN A 5 -15.275 4.678 11.874 1.00 1.73 H new ATOM 0 HE21 GLN A 5 -15.778 1.150 11.260 1.00 1.77 H new ATOM 0 HE22 GLN A 5 -15.723 0.692 12.965 1.00 1.77 H new ATOM 81 N ALA A 6 -19.295 4.993 8.787 1.00 1.86 N ATOM 82 CA ALA A 6 -20.569 4.927 8.068 1.00 1.92 C ATOM 83 C ALA A 6 -20.374 4.772 6.547 1.00 1.90 C ATOM 84 O ALA A 6 -20.939 3.853 5.942 1.00 1.92 O ATOM 85 CB ALA A 6 -21.400 6.168 8.415 1.00 1.98 C ATOM 0 H ALA A 6 -19.186 5.833 9.356 1.00 1.86 H new ATOM 0 HA ALA A 6 -21.107 4.034 8.387 1.00 1.92 H new ATOM 0 HB1 ALA A 6 -22.351 6.129 7.884 1.00 1.98 H new ATOM 0 HB2 ALA A 6 -21.584 6.194 9.489 1.00 1.98 H new ATOM 0 HB3 ALA A 6 -20.856 7.065 8.119 1.00 1.98 H new ATOM 91 N PHE A 7 -19.519 5.592 5.923 1.00 1.85 N ATOM 92 CA PHE A 7 -19.261 5.491 4.486 1.00 1.83 C ATOM 93 C PHE A 7 -18.380 4.292 4.096 1.00 1.77 C ATOM 94 O PHE A 7 -18.427 3.880 2.932 1.00 1.78 O ATOM 95 CB PHE A 7 -18.828 6.847 3.889 1.00 1.82 C ATOM 96 CG PHE A 7 -17.367 7.284 3.908 1.00 1.75 C ATOM 97 CD1 PHE A 7 -16.394 6.579 3.169 1.00 1.69 C ATOM 98 CD2 PHE A 7 -17.012 8.519 4.488 1.00 1.75 C ATOM 99 CE1 PHE A 7 -15.090 7.083 3.044 1.00 1.63 C ATOM 100 CE2 PHE A 7 -15.701 9.017 4.379 1.00 1.69 C ATOM 101 CZ PHE A 7 -14.734 8.294 3.660 1.00 1.63 C ATOM 0 H PHE A 7 -18.996 6.331 6.392 1.00 1.85 H new ATOM 0 HA PHE A 7 -20.211 5.255 4.007 1.00 1.83 H new ATOM 0 HB2 PHE A 7 -19.150 6.854 2.848 1.00 1.82 H new ATOM 0 HB3 PHE A 7 -19.399 7.619 4.404 1.00 1.82 H new ATOM 0 HD1 PHE A 7 -16.655 5.644 2.696 1.00 1.69 H new ATOM 0 HD2 PHE A 7 -17.756 9.090 5.023 1.00 1.75 H new ATOM 0 HE1 PHE A 7 -14.356 6.536 2.471 1.00 1.63 H new ATOM 0 HE2 PHE A 7 -15.438 9.954 4.847 1.00 1.69 H new ATOM 0 HZ PHE A 7 -13.724 8.667 3.582 1.00 1.63 H new ATOM 111 N LEU A 8 -17.691 3.639 5.053 1.00 1.73 N ATOM 112 CA LEU A 8 -17.006 2.383 4.705 1.00 1.69 C ATOM 113 C LEU A 8 -17.891 1.161 4.995 1.00 1.75 C ATOM 114 O LEU A 8 -17.626 0.091 4.457 1.00 1.73 O ATOM 115 CB LEU A 8 -15.652 2.300 5.438 1.00 1.63 C ATOM 116 CG LEU A 8 -14.426 2.292 4.513 1.00 1.56 C ATOM 117 CD1 LEU A 8 -14.276 0.929 3.848 1.00 1.55 C ATOM 118 CD2 LEU A 8 -14.416 3.407 3.462 1.00 1.55 C ATOM 0 H LEU A 8 -17.596 3.941 6.023 1.00 1.73 H new ATOM 0 HA LEU A 8 -16.812 2.378 3.632 1.00 1.69 H new ATOM 0 HB2 LEU A 8 -15.571 3.146 6.121 1.00 1.63 H new ATOM 0 HB3 LEU A 8 -15.638 1.396 6.047 1.00 1.63 H new ATOM 0 HG LEU A 8 -13.569 2.492 5.156 1.00 1.56 H new ATOM 0 HD11 LEU A 8 -13.403 0.937 3.195 1.00 1.55 H new ATOM 0 HD12 LEU A 8 -14.150 0.163 4.613 1.00 1.55 H new ATOM 0 HD13 LEU A 8 -15.167 0.711 3.260 1.00 1.55 H new ATOM 0 HD21 LEU A 8 -13.515 3.325 2.853 1.00 1.55 H new ATOM 0 HD22 LEU A 8 -15.295 3.313 2.824 1.00 1.55 H new ATOM 0 HD23 LEU A 8 -14.431 4.377 3.960 1.00 1.55 H new ATOM 130 N VAL A 9 -18.967 1.306 5.784 1.00 1.81 N ATOM 131 CA VAL A 9 -20.014 0.271 5.880 1.00 1.87 C ATOM 132 C VAL A 9 -20.878 0.304 4.611 1.00 1.92 C ATOM 133 O VAL A 9 -21.218 -0.748 4.059 1.00 1.94 O ATOM 134 CB VAL A 9 -20.857 0.444 7.162 1.00 1.93 C ATOM 135 CG1 VAL A 9 -22.133 -0.411 7.172 1.00 2.01 C ATOM 136 CG2 VAL A 9 -20.035 0.029 8.390 1.00 1.91 C ATOM 0 H VAL A 9 -19.137 2.127 6.365 1.00 1.81 H new ATOM 0 HA VAL A 9 -19.545 -0.710 5.952 1.00 1.87 H new ATOM 0 HB VAL A 9 -21.138 1.497 7.189 1.00 1.93 H new ATOM 0 HG11 VAL A 9 -22.678 -0.241 8.101 1.00 2.01 H new ATOM 0 HG12 VAL A 9 -22.763 -0.135 6.326 1.00 2.01 H new ATOM 0 HG13 VAL A 9 -21.865 -1.465 7.096 1.00 2.01 H new ATOM 0 HG21 VAL A 9 -20.637 0.154 9.290 1.00 1.91 H new ATOM 0 HG22 VAL A 9 -19.739 -1.016 8.294 1.00 1.91 H new ATOM 0 HG23 VAL A 9 -19.144 0.653 8.460 1.00 1.91 H new ATOM 146 N ALA A 10 -21.153 1.500 4.083 1.00 1.93 N ATOM 147 CA ALA A 10 -21.773 1.648 2.766 1.00 1.97 C ATOM 148 C ALA A 10 -20.884 1.083 1.639 1.00 1.92 C ATOM 149 O ALA A 10 -21.380 0.312 0.808 1.00 1.96 O ATOM 150 CB ALA A 10 -22.103 3.129 2.542 1.00 1.99 C ATOM 0 H ALA A 10 -20.954 2.384 4.552 1.00 1.93 H new ATOM 0 HA ALA A 10 -22.693 1.064 2.738 1.00 1.97 H new ATOM 0 HB1 ALA A 10 -22.566 3.255 1.563 1.00 1.99 H new ATOM 0 HB2 ALA A 10 -22.791 3.469 3.316 1.00 1.99 H new ATOM 0 HB3 ALA A 10 -21.186 3.717 2.588 1.00 1.99 H new ATOM 156 N LEU A 11 -19.569 1.381 1.645 1.00 1.84 N ATOM 157 CA LEU A 11 -18.643 0.694 0.738 1.00 1.80 C ATOM 158 C LEU A 11 -18.625 -0.812 0.987 1.00 1.80 C ATOM 159 O LEU A 11 -18.662 -1.546 0.014 1.00 1.82 O ATOM 160 CB LEU A 11 -17.209 1.241 0.792 1.00 1.71 C ATOM 161 CG LEU A 11 -16.255 0.503 -0.184 1.00 1.67 C ATOM 162 CD1 LEU A 11 -16.633 0.642 -1.659 1.00 1.71 C ATOM 163 CD2 LEU A 11 -14.842 1.046 -0.040 1.00 1.59 C ATOM 0 H LEU A 11 -19.137 2.076 2.254 1.00 1.84 H new ATOM 0 HA LEU A 11 -19.028 0.893 -0.262 1.00 1.80 H new ATOM 0 HB2 LEU A 11 -17.220 2.304 0.551 1.00 1.71 H new ATOM 0 HB3 LEU A 11 -16.826 1.149 1.808 1.00 1.71 H new ATOM 0 HG LEU A 11 -16.332 -0.549 0.090 1.00 1.67 H new ATOM 0 HD11 LEU A 11 -15.915 0.097 -2.272 1.00 1.71 H new ATOM 0 HD12 LEU A 11 -17.631 0.233 -1.819 1.00 1.71 H new ATOM 0 HD13 LEU A 11 -16.623 1.695 -1.939 1.00 1.71 H new ATOM 0 HD21 LEU A 11 -14.179 0.522 -0.729 1.00 1.59 H new ATOM 0 HD22 LEU A 11 -14.836 2.111 -0.270 1.00 1.59 H new ATOM 0 HD23 LEU A 11 -14.496 0.894 0.982 1.00 1.59 H new ATOM 175 N TYR A 12 -18.593 -1.298 2.231 1.00 1.80 N ATOM 176 CA TYR A 12 -18.598 -2.737 2.519 1.00 1.81 C ATOM 177 C TYR A 12 -19.771 -3.445 1.838 1.00 1.89 C ATOM 178 O TYR A 12 -19.556 -4.462 1.173 1.00 1.89 O ATOM 179 CB TYR A 12 -18.592 -3.001 4.032 1.00 1.82 C ATOM 180 CG TYR A 12 -18.924 -4.432 4.422 1.00 1.86 C ATOM 181 CD1 TYR A 12 -18.138 -5.499 3.945 1.00 1.84 C ATOM 182 CD2 TYR A 12 -20.063 -4.697 5.211 1.00 1.94 C ATOM 183 CE1 TYR A 12 -18.494 -6.830 4.244 1.00 1.89 C ATOM 184 CE2 TYR A 12 -20.414 -6.024 5.520 1.00 1.99 C ATOM 185 CZ TYR A 12 -19.633 -7.095 5.034 1.00 1.96 C ATOM 186 OH TYR A 12 -19.981 -8.382 5.316 1.00 2.02 O ATOM 0 H TYR A 12 -18.563 -0.710 3.064 1.00 1.80 H new ATOM 0 HA TYR A 12 -17.681 -3.155 2.104 1.00 1.81 H new ATOM 0 HB2 TYR A 12 -17.609 -2.748 4.428 1.00 1.82 H new ATOM 0 HB3 TYR A 12 -19.309 -2.332 4.508 1.00 1.82 H new ATOM 0 HD1 TYR A 12 -17.260 -5.297 3.349 1.00 1.84 H new ATOM 0 HD2 TYR A 12 -20.666 -3.880 5.578 1.00 1.94 H new ATOM 0 HE1 TYR A 12 -17.895 -7.647 3.869 1.00 1.89 H new ATOM 0 HE2 TYR A 12 -21.283 -6.224 6.130 1.00 1.99 H new ATOM 0 HH TYR A 12 -20.788 -8.388 5.871 1.00 2.02 H new ATOM 196 N LYS A 13 -20.983 -2.876 1.913 1.00 1.95 N ATOM 197 CA LYS A 13 -22.127 -3.387 1.147 1.00 2.03 C ATOM 198 C LYS A 13 -21.869 -3.324 -0.360 1.00 2.02 C ATOM 199 O LYS A 13 -21.912 -4.376 -1.007 1.00 2.05 O ATOM 200 CB LYS A 13 -23.412 -2.659 1.580 1.00 2.10 C ATOM 201 CG LYS A 13 -24.664 -3.271 0.933 1.00 2.18 C ATOM 202 CD LYS A 13 -25.967 -2.577 1.365 1.00 2.25 C ATOM 203 CE LYS A 13 -26.275 -2.784 2.854 1.00 2.27 C ATOM 204 NZ LYS A 13 -27.581 -2.178 3.232 1.00 2.34 N ATOM 0 H LYS A 13 -21.195 -2.065 2.494 1.00 1.95 H new ATOM 0 HA LYS A 13 -22.265 -4.445 1.370 1.00 2.03 H new ATOM 0 HB2 LYS A 13 -23.506 -2.703 2.665 1.00 2.10 H new ATOM 0 HB3 LYS A 13 -23.341 -1.606 1.309 1.00 2.10 H new ATOM 0 HG2 LYS A 13 -24.571 -3.213 -0.151 1.00 2.18 H new ATOM 0 HG3 LYS A 13 -24.719 -4.328 1.192 1.00 2.18 H new ATOM 0 HD2 LYS A 13 -25.893 -1.510 1.157 1.00 2.25 H new ATOM 0 HD3 LYS A 13 -26.795 -2.961 0.769 1.00 2.25 H new ATOM 0 HE2 LYS A 13 -26.289 -3.851 3.078 1.00 2.27 H new ATOM 0 HE3 LYS A 13 -25.480 -2.342 3.455 1.00 2.27 H new ATOM 0 HZ1 LYS A 13 -27.757 -2.337 4.245 1.00 2.34 H new ATOM 0 HZ2 LYS A 13 -27.558 -1.156 3.041 1.00 2.34 H new ATOM 0 HZ3 LYS A 13 -28.342 -2.617 2.675 1.00 2.34 H new ATOM 218 N TYR A 14 -21.540 -2.157 -0.930 1.00 2.00 N ATOM 219 CA TYR A 14 -21.244 -2.092 -2.368 1.00 2.00 C ATOM 220 C TYR A 14 -20.120 -3.022 -2.861 1.00 1.95 C ATOM 221 O TYR A 14 -20.265 -3.647 -3.909 1.00 1.99 O ATOM 222 CB TYR A 14 -20.933 -0.631 -2.717 1.00 1.98 C ATOM 223 CG TYR A 14 -20.890 -0.346 -4.206 1.00 2.01 C ATOM 224 CD1 TYR A 14 -22.094 -0.173 -4.915 1.00 2.10 C ATOM 225 CD2 TYR A 14 -19.656 -0.262 -4.884 1.00 1.96 C ATOM 226 CE1 TYR A 14 -22.073 0.079 -6.299 1.00 2.14 C ATOM 227 CE2 TYR A 14 -19.631 -0.019 -6.273 1.00 1.99 C ATOM 228 CZ TYR A 14 -20.840 0.150 -6.982 1.00 2.09 C ATOM 229 OH TYR A 14 -20.812 0.352 -8.329 1.00 2.13 O ATOM 0 H TYR A 14 -21.473 -1.268 -0.434 1.00 2.00 H new ATOM 0 HA TYR A 14 -22.128 -2.460 -2.889 1.00 2.00 H new ATOM 0 HB2 TYR A 14 -21.686 0.009 -2.257 1.00 1.98 H new ATOM 0 HB3 TYR A 14 -19.973 -0.360 -2.278 1.00 1.98 H new ATOM 0 HD1 TYR A 14 -23.038 -0.234 -4.394 1.00 2.10 H new ATOM 0 HD2 TYR A 14 -18.731 -0.384 -4.340 1.00 1.96 H new ATOM 0 HE1 TYR A 14 -22.999 0.218 -6.838 1.00 2.14 H new ATOM 0 HE2 TYR A 14 -18.687 0.038 -6.794 1.00 1.99 H new ATOM 0 HH TYR A 14 -19.882 0.375 -8.637 1.00 2.13 H new ATOM 239 N MET A 15 -19.019 -3.165 -2.117 1.00 1.88 N ATOM 240 CA MET A 15 -17.886 -3.997 -2.517 1.00 1.83 C ATOM 241 C MET A 15 -18.178 -5.492 -2.328 1.00 1.86 C ATOM 242 O MET A 15 -17.731 -6.301 -3.143 1.00 1.86 O ATOM 243 CB MET A 15 -16.572 -3.514 -1.892 1.00 1.74 C ATOM 244 CG MET A 15 -16.382 -3.835 -0.411 1.00 1.72 C ATOM 245 SD MET A 15 -15.000 -2.967 0.390 1.00 1.62 S ATOM 246 CE MET A 15 -13.631 -3.285 -0.760 1.00 1.57 C ATOM 0 H MET A 15 -18.891 -2.704 -1.216 1.00 1.88 H new ATOM 0 HA MET A 15 -17.741 -3.877 -3.591 1.00 1.83 H new ATOM 0 HB2 MET A 15 -15.744 -3.953 -2.449 1.00 1.74 H new ATOM 0 HB3 MET A 15 -16.506 -2.434 -2.022 1.00 1.74 H new ATOM 0 HG2 MET A 15 -17.302 -3.590 0.120 1.00 1.72 H new ATOM 0 HG3 MET A 15 -16.228 -4.909 -0.304 1.00 1.72 H new ATOM 0 HE1 MET A 15 -12.733 -2.779 -0.406 1.00 1.57 H new ATOM 0 HE2 MET A 15 -13.445 -4.357 -0.816 1.00 1.57 H new ATOM 0 HE3 MET A 15 -13.892 -2.910 -1.749 1.00 1.57 H new ATOM 256 N LYS A 16 -19.007 -5.881 -1.341 1.00 1.90 N ATOM 257 CA LYS A 16 -19.535 -7.253 -1.258 1.00 1.96 C ATOM 258 C LYS A 16 -20.441 -7.573 -2.457 1.00 2.03 C ATOM 259 O LYS A 16 -20.322 -8.647 -3.043 1.00 2.05 O ATOM 260 CB LYS A 16 -20.237 -7.443 0.096 1.00 1.99 C ATOM 261 CG LYS A 16 -20.675 -8.896 0.325 1.00 2.05 C ATOM 262 CD LYS A 16 -20.881 -9.175 1.820 1.00 2.07 C ATOM 263 CE LYS A 16 -21.367 -10.612 2.029 1.00 2.13 C ATOM 264 NZ LYS A 16 -21.246 -11.017 3.451 1.00 2.15 N ATOM 0 H LYS A 16 -19.324 -5.265 -0.592 1.00 1.90 H new ATOM 0 HA LYS A 16 -18.715 -7.969 -1.311 1.00 1.96 H new ATOM 0 HB2 LYS A 16 -19.564 -7.138 0.898 1.00 1.99 H new ATOM 0 HB3 LYS A 16 -21.109 -6.791 0.146 1.00 1.99 H new ATOM 0 HG2 LYS A 16 -21.601 -9.091 -0.217 1.00 2.05 H new ATOM 0 HG3 LYS A 16 -19.922 -9.575 -0.076 1.00 2.05 H new ATOM 0 HD2 LYS A 16 -19.947 -9.018 2.359 1.00 2.07 H new ATOM 0 HD3 LYS A 16 -21.608 -8.474 2.231 1.00 2.07 H new ATOM 0 HE2 LYS A 16 -22.406 -10.697 1.711 1.00 2.13 H new ATOM 0 HE3 LYS A 16 -20.786 -11.290 1.404 1.00 2.13 H new ATOM 0 HZ1 LYS A 16 -21.919 -11.784 3.652 1.00 2.15 H new ATOM 0 HZ2 LYS A 16 -20.278 -11.349 3.636 1.00 2.15 H new ATOM 0 HZ3 LYS A 16 -21.456 -10.203 4.063 1.00 2.15 H new ATOM 278 N GLU A 17 -21.235 -6.598 -2.906 1.00 2.07 N ATOM 279 CA GLU A 17 -21.983 -6.693 -4.179 1.00 2.13 C ATOM 280 C GLU A 17 -21.079 -6.592 -5.442 1.00 2.10 C ATOM 281 O GLU A 17 -21.569 -6.681 -6.571 1.00 2.16 O ATOM 282 CB GLU A 17 -23.090 -5.619 -4.164 1.00 2.18 C ATOM 283 CG GLU A 17 -24.258 -5.910 -5.116 1.00 2.27 C ATOM 284 CD GLU A 17 -25.409 -4.909 -4.900 1.00 2.33 C ATOM 285 OE1 GLU A 17 -25.426 -3.840 -5.559 1.00 2.34 O ATOM 286 OE2 GLU A 17 -26.319 -5.190 -4.082 1.00 2.37 O ATOM 0 H GLU A 17 -21.383 -5.721 -2.406 1.00 2.07 H new ATOM 0 HA GLU A 17 -22.427 -7.686 -4.250 1.00 2.13 H new ATOM 0 HB2 GLU A 17 -23.477 -5.526 -3.149 1.00 2.18 H new ATOM 0 HB3 GLU A 17 -22.651 -4.657 -4.428 1.00 2.18 H new ATOM 0 HG2 GLU A 17 -23.913 -5.855 -6.148 1.00 2.27 H new ATOM 0 HG3 GLU A 17 -24.619 -6.926 -4.954 1.00 2.27 H new ATOM 293 N ARG A 18 -19.758 -6.431 -5.261 1.00 2.02 N ATOM 294 CA ARG A 18 -18.771 -6.446 -6.368 1.00 1.99 C ATOM 295 C ARG A 18 -17.735 -7.579 -6.217 1.00 1.95 C ATOM 296 O ARG A 18 -16.659 -7.527 -6.816 1.00 1.90 O ATOM 297 CB ARG A 18 -18.150 -5.038 -6.560 1.00 1.94 C ATOM 298 CG ARG A 18 -18.915 -4.164 -7.571 1.00 2.01 C ATOM 299 CD ARG A 18 -20.199 -3.531 -7.022 1.00 2.06 C ATOM 300 NE ARG A 18 -21.005 -2.936 -8.104 1.00 2.13 N ATOM 301 CZ ARG A 18 -21.971 -3.524 -8.792 1.00 2.22 C ATOM 302 NH1 ARG A 18 -22.344 -4.757 -8.582 1.00 2.24 N ATOM 303 NH2 ARG A 18 -22.585 -2.869 -9.735 1.00 2.28 N ATOM 0 H ARG A 18 -19.337 -6.286 -4.343 1.00 2.02 H new ATOM 0 HA ARG A 18 -19.294 -6.682 -7.295 1.00 1.99 H new ATOM 0 HB2 ARG A 18 -18.122 -4.527 -5.598 1.00 1.94 H new ATOM 0 HB3 ARG A 18 -17.118 -5.147 -6.893 1.00 1.94 H new ATOM 0 HG2 ARG A 18 -18.254 -3.370 -7.919 1.00 2.01 H new ATOM 0 HG3 ARG A 18 -19.168 -4.772 -8.440 1.00 2.01 H new ATOM 0 HD2 ARG A 18 -20.786 -4.287 -6.501 1.00 2.06 H new ATOM 0 HD3 ARG A 18 -19.945 -2.764 -6.290 1.00 2.06 H new ATOM 0 HE ARG A 18 -20.796 -1.968 -8.348 1.00 2.13 H new ATOM 0 HH11 ARG A 18 -21.885 -5.313 -7.860 1.00 2.24 H new ATOM 0 HH12 ARG A 18 -23.094 -5.165 -9.140 1.00 2.24 H new ATOM 0 HH21 ARG A 18 -22.321 -1.906 -9.942 1.00 2.28 H new ATOM 0 HH22 ARG A 18 -23.330 -3.319 -10.267 1.00 2.28 H new ATOM 317 N LYS A 19 -18.059 -8.622 -5.435 1.00 1.97 N ATOM 318 CA LYS A 19 -17.264 -9.852 -5.211 1.00 1.95 C ATOM 319 C LYS A 19 -15.917 -9.557 -4.538 1.00 1.86 C ATOM 320 O LYS A 19 -14.976 -10.353 -4.611 1.00 1.84 O ATOM 321 CB LYS A 19 -17.139 -10.679 -6.511 1.00 1.99 C ATOM 322 CG LYS A 19 -18.502 -11.027 -7.134 1.00 2.09 C ATOM 323 CD LYS A 19 -18.332 -11.869 -8.406 1.00 2.13 C ATOM 324 CE LYS A 19 -19.702 -12.166 -9.029 1.00 2.22 C ATOM 325 NZ LYS A 19 -19.574 -12.959 -10.281 1.00 2.27 N ATOM 0 H LYS A 19 -18.933 -8.635 -4.909 1.00 1.97 H new ATOM 0 HA LYS A 19 -17.805 -10.477 -4.501 1.00 1.95 H new ATOM 0 HB2 LYS A 19 -16.546 -10.120 -7.235 1.00 1.99 H new ATOM 0 HB3 LYS A 19 -16.597 -11.600 -6.299 1.00 1.99 H new ATOM 0 HG2 LYS A 19 -19.106 -11.574 -6.411 1.00 2.09 H new ATOM 0 HG3 LYS A 19 -19.041 -10.110 -7.371 1.00 2.09 H new ATOM 0 HD2 LYS A 19 -17.706 -11.337 -9.122 1.00 2.13 H new ATOM 0 HD3 LYS A 19 -17.822 -12.802 -8.168 1.00 2.13 H new ATOM 0 HE2 LYS A 19 -20.317 -12.712 -8.313 1.00 2.22 H new ATOM 0 HE3 LYS A 19 -20.216 -11.229 -9.242 1.00 2.22 H new ATOM 0 HZ1 LYS A 19 -20.519 -13.141 -10.675 1.00 2.27 H new ATOM 0 HZ2 LYS A 19 -19.008 -12.427 -10.972 1.00 2.27 H new ATOM 0 HZ3 LYS A 19 -19.106 -13.864 -10.072 1.00 2.27 H new ATOM 339 N THR A 20 -15.854 -8.412 -3.852 1.00 1.82 N ATOM 340 CA THR A 20 -14.627 -7.934 -3.217 1.00 1.73 C ATOM 341 C THR A 20 -14.913 -7.406 -1.799 1.00 1.72 C ATOM 342 O THR A 20 -14.635 -6.243 -1.517 1.00 1.68 O ATOM 343 CB THR A 20 -13.905 -6.890 -4.109 1.00 1.69 C ATOM 344 OG1 THR A 20 -13.842 -7.317 -5.456 1.00 1.72 O ATOM 345 CG2 THR A 20 -12.447 -6.656 -3.700 1.00 1.61 C ATOM 0 H THR A 20 -16.653 -7.792 -3.722 1.00 1.82 H new ATOM 0 HA THR A 20 -13.943 -8.776 -3.109 1.00 1.73 H new ATOM 0 HB THR A 20 -14.492 -5.980 -3.987 1.00 1.69 H new ATOM 0 HG1 THR A 20 -14.743 -7.319 -5.841 1.00 1.72 H new ATOM 0 HG21 THR A 20 -11.998 -5.916 -4.362 1.00 1.61 H new ATOM 0 HG22 THR A 20 -12.411 -6.293 -2.673 1.00 1.61 H new ATOM 0 HG23 THR A 20 -11.894 -7.592 -3.774 1.00 1.61 H new ATOM 353 N PRO A 21 -15.528 -8.197 -0.894 1.00 1.76 N ATOM 354 CA PRO A 21 -15.855 -7.753 0.467 1.00 1.76 C ATOM 355 C PRO A 21 -14.604 -7.486 1.322 1.00 1.69 C ATOM 356 O PRO A 21 -13.539 -8.055 1.084 1.00 1.66 O ATOM 357 CB PRO A 21 -16.695 -8.889 1.061 1.00 1.84 C ATOM 358 CG PRO A 21 -16.174 -10.131 0.343 1.00 1.85 C ATOM 359 CD PRO A 21 -15.894 -9.600 -1.060 1.00 1.82 C ATOM 0 HA PRO A 21 -16.388 -6.802 0.449 1.00 1.76 H new ATOM 0 HB2 PRO A 21 -16.562 -8.964 2.140 1.00 1.84 H new ATOM 0 HB3 PRO A 21 -17.759 -8.738 0.880 1.00 1.84 H new ATOM 0 HG2 PRO A 21 -15.275 -10.527 0.815 1.00 1.85 H new ATOM 0 HG3 PRO A 21 -16.910 -10.935 0.334 1.00 1.85 H new ATOM 0 HD2 PRO A 21 -15.088 -10.160 -1.535 1.00 1.82 H new ATOM 0 HD3 PRO A 21 -16.772 -9.701 -1.698 1.00 1.82 H new ATOM 367 N ILE A 22 -14.754 -6.708 2.401 1.00 1.68 N ATOM 368 CA ILE A 22 -13.695 -6.569 3.434 1.00 1.64 C ATOM 369 C ILE A 22 -13.361 -7.941 4.078 1.00 1.67 C ATOM 370 O ILE A 22 -12.252 -8.175 4.550 1.00 1.64 O ATOM 371 CB ILE A 22 -14.107 -5.472 4.452 1.00 1.64 C ATOM 372 CG1 ILE A 22 -14.186 -4.113 3.726 1.00 1.61 C ATOM 373 CG2 ILE A 22 -13.139 -5.388 5.647 1.00 1.61 C ATOM 374 CD1 ILE A 22 -14.663 -2.938 4.587 1.00 1.62 C ATOM 0 H ILE A 22 -15.594 -6.162 2.590 1.00 1.68 H new ATOM 0 HA ILE A 22 -12.763 -6.238 2.975 1.00 1.64 H new ATOM 0 HB ILE A 22 -15.083 -5.737 4.858 1.00 1.64 H new ATOM 0 HG12 ILE A 22 -13.200 -3.874 3.329 1.00 1.61 H new ATOM 0 HG13 ILE A 22 -14.857 -4.214 2.873 1.00 1.61 H new ATOM 0 HG21 ILE A 22 -13.471 -4.606 6.330 1.00 1.61 H new ATOM 0 HG22 ILE A 22 -13.123 -6.344 6.170 1.00 1.61 H new ATOM 0 HG23 ILE A 22 -12.137 -5.154 5.288 1.00 1.61 H new ATOM 0 HD11 ILE A 22 -14.683 -2.030 3.984 1.00 1.62 H new ATOM 0 HD12 ILE A 22 -15.664 -3.146 4.964 1.00 1.62 H new ATOM 0 HD13 ILE A 22 -13.981 -2.801 5.426 1.00 1.62 H new ATOM 386 N GLU A 23 -14.314 -8.875 3.991 1.00 1.74 N ATOM 387 CA GLU A 23 -14.085 -10.297 4.319 1.00 1.78 C ATOM 388 C GLU A 23 -12.906 -10.974 3.563 1.00 1.75 C ATOM 389 O GLU A 23 -12.465 -12.047 3.986 1.00 1.78 O ATOM 390 CB GLU A 23 -15.377 -11.110 4.133 1.00 1.87 C ATOM 391 CG GLU A 23 -16.518 -10.631 5.039 1.00 1.91 C ATOM 392 CD GLU A 23 -17.739 -11.561 4.922 1.00 2.00 C ATOM 393 OE1 GLU A 23 -18.557 -11.375 3.991 1.00 2.02 O ATOM 394 OE2 GLU A 23 -17.891 -12.485 5.760 1.00 2.06 O ATOM 0 H GLU A 23 -15.268 -8.672 3.692 1.00 1.74 H new ATOM 0 HA GLU A 23 -13.785 -10.295 5.367 1.00 1.78 H new ATOM 0 HB2 GLU A 23 -15.694 -11.045 3.092 1.00 1.87 H new ATOM 0 HB3 GLU A 23 -15.172 -12.161 4.339 1.00 1.87 H new ATOM 0 HG2 GLU A 23 -16.177 -10.600 6.074 1.00 1.91 H new ATOM 0 HG3 GLU A 23 -16.802 -9.615 4.766 1.00 1.91 H new ATOM 401 N ARG A 24 -12.340 -10.357 2.503 1.00 1.69 N ATOM 402 CA ARG A 24 -11.090 -10.790 1.824 1.00 1.65 C ATOM 403 C ARG A 24 -9.908 -9.808 1.987 1.00 1.57 C ATOM 404 O ARG A 24 -8.885 -9.951 1.316 1.00 1.53 O ATOM 405 CB ARG A 24 -11.377 -11.196 0.359 1.00 1.67 C ATOM 406 CG ARG A 24 -11.358 -10.054 -0.681 1.00 1.62 C ATOM 407 CD ARG A 24 -11.939 -10.486 -2.037 1.00 1.67 C ATOM 408 NE ARG A 24 -11.125 -11.522 -2.700 1.00 1.67 N ATOM 409 CZ ARG A 24 -11.403 -12.143 -3.837 1.00 1.72 C ATOM 410 NH1 ARG A 24 -12.481 -11.909 -4.533 1.00 1.77 N ATOM 411 NH2 ARG A 24 -10.575 -13.032 -4.309 1.00 1.72 N ATOM 0 H ARG A 24 -12.747 -9.522 2.082 1.00 1.69 H new ATOM 0 HA ARG A 24 -10.739 -11.683 2.341 1.00 1.65 H new ATOM 0 HB2 ARG A 24 -10.642 -11.944 0.060 1.00 1.67 H new ATOM 0 HB3 ARG A 24 -12.354 -11.677 0.322 1.00 1.67 H new ATOM 0 HG2 ARG A 24 -11.928 -9.208 -0.298 1.00 1.62 H new ATOM 0 HG3 ARG A 24 -10.333 -9.711 -0.821 1.00 1.62 H new ATOM 0 HD2 ARG A 24 -12.951 -10.863 -1.891 1.00 1.67 H new ATOM 0 HD3 ARG A 24 -12.014 -9.616 -2.689 1.00 1.67 H new ATOM 0 HE ARG A 24 -10.257 -11.788 -2.235 1.00 1.67 H new ATOM 0 HH11 ARG A 24 -13.158 -11.219 -4.208 1.00 1.77 H new ATOM 0 HH12 ARG A 24 -12.647 -12.416 -5.403 1.00 1.77 H new ATOM 0 HH21 ARG A 24 -9.716 -13.248 -3.803 1.00 1.72 H new ATOM 0 HH22 ARG A 24 -10.786 -13.512 -5.184 1.00 1.72 H new ATOM 425 N ILE A 25 -10.031 -8.834 2.894 1.00 1.55 N ATOM 426 CA ILE A 25 -9.066 -7.758 3.185 1.00 1.48 C ATOM 427 C ILE A 25 -8.801 -7.735 4.711 1.00 1.49 C ATOM 428 O ILE A 25 -9.343 -6.892 5.434 1.00 1.50 O ATOM 429 CB ILE A 25 -9.562 -6.392 2.634 1.00 1.45 C ATOM 430 CG1 ILE A 25 -10.118 -6.471 1.191 1.00 1.46 C ATOM 431 CG2 ILE A 25 -8.383 -5.400 2.683 1.00 1.37 C ATOM 432 CD1 ILE A 25 -10.699 -5.149 0.672 1.00 1.45 C ATOM 0 H ILE A 25 -10.860 -8.768 3.485 1.00 1.55 H new ATOM 0 HA ILE A 25 -8.122 -7.951 2.675 1.00 1.48 H new ATOM 0 HB ILE A 25 -10.392 -6.064 3.259 1.00 1.45 H new ATOM 0 HG12 ILE A 25 -9.320 -6.792 0.522 1.00 1.46 H new ATOM 0 HG13 ILE A 25 -10.893 -7.236 1.153 1.00 1.46 H new ATOM 0 HG21 ILE A 25 -8.706 -4.432 2.301 1.00 1.37 H new ATOM 0 HG22 ILE A 25 -8.044 -5.289 3.713 1.00 1.37 H new ATOM 0 HG23 ILE A 25 -7.564 -5.777 2.070 1.00 1.37 H new ATOM 0 HD11 ILE A 25 -11.067 -5.288 -0.345 1.00 1.45 H new ATOM 0 HD12 ILE A 25 -11.520 -4.835 1.316 1.00 1.45 H new ATOM 0 HD13 ILE A 25 -9.922 -4.384 0.675 1.00 1.45 H new ATOM 444 N PRO A 26 -8.101 -8.763 5.212 1.00 1.53 N ATOM 445 CA PRO A 26 -7.903 -8.985 6.656 1.00 1.57 C ATOM 446 C PRO A 26 -7.165 -7.896 7.423 1.00 1.52 C ATOM 447 O PRO A 26 -7.777 -7.168 8.208 1.00 1.50 O ATOM 448 CB PRO A 26 -7.142 -10.320 6.709 1.00 1.62 C ATOM 449 CG PRO A 26 -6.484 -10.440 5.381 1.00 1.59 C ATOM 450 CD PRO A 26 -7.407 -9.777 4.401 1.00 1.55 C ATOM 0 HA PRO A 26 -8.869 -8.982 7.160 1.00 1.57 H new ATOM 0 HB2 PRO A 26 -6.408 -10.324 7.515 1.00 1.62 H new ATOM 0 HB3 PRO A 26 -7.820 -11.154 6.891 1.00 1.62 H new ATOM 0 HG2 PRO A 26 -5.507 -9.957 5.385 1.00 1.59 H new ATOM 0 HG3 PRO A 26 -6.322 -11.486 5.119 1.00 1.59 H new ATOM 0 HD2 PRO A 26 -6.857 -9.323 3.576 1.00 1.55 H new ATOM 0 HD3 PRO A 26 -8.107 -10.489 3.964 1.00 1.55 H new ATOM 458 N TYR A 27 -5.866 -7.775 7.201 1.00 1.52 N ATOM 459 CA TYR A 27 -5.064 -6.830 7.955 1.00 1.49 C ATOM 460 C TYR A 27 -4.366 -5.785 7.098 1.00 1.38 C ATOM 461 O TYR A 27 -4.693 -5.559 5.935 1.00 1.34 O ATOM 462 CB TYR A 27 -3.980 -7.618 8.699 1.00 1.61 C ATOM 463 CG TYR A 27 -4.489 -8.696 9.624 1.00 1.65 C ATOM 464 CD1 TYR A 27 -4.828 -8.395 10.933 1.00 1.91 C ATOM 465 CD2 TYR A 27 -4.608 -10.017 9.201 1.00 1.76 C ATOM 466 CE1 TYR A 27 -5.269 -9.376 11.799 1.00 2.21 C ATOM 467 CE2 TYR A 27 -5.054 -11.005 10.059 1.00 2.09 C ATOM 468 CZ TYR A 27 -5.382 -10.679 11.358 1.00 2.29 C ATOM 469 OH TYR A 27 -5.816 -11.659 12.222 1.00 2.75 O ATOM 0 H TYR A 27 -5.349 -8.317 6.509 1.00 1.52 H new ATOM 0 HA TYR A 27 -5.745 -6.298 8.619 1.00 1.49 H new ATOM 0 HB2 TYR A 27 -3.317 -8.075 7.964 1.00 1.61 H new ATOM 0 HB3 TYR A 27 -3.378 -6.918 9.279 1.00 1.61 H new ATOM 0 HD1 TYR A 27 -4.746 -7.376 11.282 1.00 1.91 H new ATOM 0 HD2 TYR A 27 -4.347 -10.274 8.185 1.00 1.76 H new ATOM 0 HE1 TYR A 27 -5.525 -9.125 12.818 1.00 2.21 H new ATOM 0 HE2 TYR A 27 -5.145 -12.025 9.714 1.00 2.09 H new ATOM 0 HH TYR A 27 -5.840 -12.520 11.754 1.00 2.75 H new ATOM 479 N LEU A 28 -3.408 -5.158 7.764 1.00 1.39 N ATOM 480 CA LEU A 28 -2.503 -4.156 7.239 1.00 1.35 C ATOM 481 C LEU A 28 -1.136 -4.828 7.313 1.00 1.35 C ATOM 482 O LEU A 28 -1.018 -5.834 8.018 1.00 1.38 O ATOM 483 CB LEU A 28 -2.570 -2.889 8.116 1.00 1.42 C ATOM 484 CG LEU A 28 -1.906 -1.618 7.587 1.00 1.37 C ATOM 485 CD1 LEU A 28 -2.775 -0.412 7.916 1.00 1.58 C ATOM 486 CD2 LEU A 28 -0.516 -1.448 8.190 1.00 1.77 C ATOM 0 H LEU A 28 -3.234 -5.351 8.750 1.00 1.39 H new ATOM 0 HA LEU A 28 -2.739 -3.834 6.225 1.00 1.35 H new ATOM 0 HB2 LEU A 28 -3.621 -2.665 8.301 1.00 1.42 H new ATOM 0 HB3 LEU A 28 -2.120 -3.125 9.080 1.00 1.42 H new ATOM 0 HG LEU A 28 -1.800 -1.699 6.505 1.00 1.37 H new ATOM 0 HD11 LEU A 28 -2.300 0.493 7.538 1.00 1.58 H new ATOM 0 HD12 LEU A 28 -3.753 -0.530 7.450 1.00 1.58 H new ATOM 0 HD13 LEU A 28 -2.895 -0.334 8.997 1.00 1.58 H new ATOM 0 HD21 LEU A 28 -0.060 -0.538 7.801 1.00 1.77 H new ATOM 0 HD22 LEU A 28 -0.596 -1.379 9.275 1.00 1.77 H new ATOM 0 HD23 LEU A 28 0.103 -2.306 7.926 1.00 1.77 H new ATOM 583 N ASN A 34 -7.726 -0.662 9.899 1.00 1.56 N ATOM 584 CA ASN A 34 -7.906 0.753 10.307 1.00 1.58 C ATOM 585 C ASN A 34 -7.944 1.710 9.101 1.00 1.57 C ATOM 586 O ASN A 34 -6.974 2.415 8.811 1.00 1.91 O ATOM 587 CB ASN A 34 -6.817 1.171 11.306 1.00 1.60 C ATOM 588 CG ASN A 34 -6.946 0.437 12.630 1.00 1.73 C ATOM 589 OD1 ASN A 34 -7.712 0.841 13.508 1.00 2.14 O ATOM 590 ND2 ASN A 34 -6.188 -0.643 12.788 1.00 2.10 N ATOM 0 HA ASN A 34 -8.876 0.825 10.798 1.00 1.58 H new ATOM 0 HB2 ASN A 34 -5.835 0.973 10.876 1.00 1.60 H new ATOM 0 HB3 ASN A 34 -6.878 2.245 11.480 1.00 1.60 H new ATOM 0 HD21 ASN A 34 -6.227 -1.170 13.660 1.00 2.10 H new ATOM 0 HD22 ASN A 34 -5.567 -0.945 12.037 1.00 2.10 H new ATOM 597 N LEU A 35 -9.082 1.715 8.405 1.00 1.38 N ATOM 598 CA LEU A 35 -9.280 2.533 7.203 1.00 1.34 C ATOM 599 C LEU A 35 -9.268 4.036 7.478 1.00 1.32 C ATOM 600 O LEU A 35 -8.440 4.758 6.928 1.00 1.28 O ATOM 601 CB LEU A 35 -10.604 2.147 6.535 1.00 1.40 C ATOM 602 CG LEU A 35 -10.837 2.707 5.123 1.00 1.43 C ATOM 603 CD1 LEU A 35 -11.412 4.117 5.176 1.00 1.47 C ATOM 604 CD2 LEU A 35 -9.544 2.694 4.325 1.00 1.52 C ATOM 0 H LEU A 35 -9.894 1.152 8.657 1.00 1.38 H new ATOM 0 HA LEU A 35 -8.436 2.329 6.544 1.00 1.34 H new ATOM 0 HB2 LEU A 35 -10.660 1.060 6.486 1.00 1.40 H new ATOM 0 HB3 LEU A 35 -11.421 2.480 7.175 1.00 1.40 H new ATOM 0 HG LEU A 35 -11.564 2.065 4.625 1.00 1.43 H new ATOM 0 HD11 LEU A 35 -11.566 4.486 4.162 1.00 1.47 H new ATOM 0 HD12 LEU A 35 -12.365 4.102 5.705 1.00 1.47 H new ATOM 0 HD13 LEU A 35 -10.717 4.774 5.699 1.00 1.47 H new ATOM 0 HD21 LEU A 35 -9.728 3.094 3.328 1.00 1.52 H new ATOM 0 HD22 LEU A 35 -8.798 3.308 4.830 1.00 1.52 H new ATOM 0 HD23 LEU A 35 -9.177 1.671 4.244 1.00 1.52 H new ATOM 616 N TRP A 36 -10.225 4.506 8.277 1.00 1.37 N ATOM 617 CA TRP A 36 -10.338 5.946 8.598 1.00 1.37 C ATOM 618 C TRP A 36 -8.986 6.575 9.006 1.00 1.32 C ATOM 619 O TRP A 36 -8.749 7.755 8.753 1.00 1.31 O ATOM 620 CB TRP A 36 -11.393 6.203 9.688 1.00 1.45 C ATOM 621 CG TRP A 36 -11.311 5.258 10.839 1.00 1.50 C ATOM 622 CD1 TRP A 36 -11.778 3.978 10.873 1.00 1.55 C ATOM 623 CD2 TRP A 36 -10.738 5.514 12.126 1.00 1.53 C ATOM 624 NE1 TRP A 36 -11.503 3.409 12.089 1.00 1.61 N ATOM 625 CE2 TRP A 36 -10.869 4.332 12.878 1.00 1.60 C ATOM 626 CE3 TRP A 36 -10.116 6.622 12.713 1.00 1.54 C ATOM 627 CZ2 TRP A 36 -10.403 4.227 14.184 1.00 1.66 C ATOM 628 CZ3 TRP A 36 -9.655 6.516 14.011 1.00 1.61 C ATOM 629 CH2 TRP A 36 -9.798 5.324 14.734 1.00 1.66 C ATOM 0 H TRP A 36 -10.935 3.921 8.717 1.00 1.37 H new ATOM 0 HA TRP A 36 -10.661 6.432 7.678 1.00 1.37 H new ATOM 0 HB2 TRP A 36 -11.279 7.222 10.058 1.00 1.45 H new ATOM 0 HB3 TRP A 36 -12.386 6.134 9.243 1.00 1.45 H new ATOM 0 HD1 TRP A 36 -12.290 3.484 10.060 1.00 1.55 H new ATOM 0 HE1 TRP A 36 -11.733 2.454 12.362 1.00 1.61 H new ATOM 0 HE3 TRP A 36 -9.999 7.543 12.161 1.00 1.54 H new ATOM 0 HZ2 TRP A 36 -10.515 3.311 14.745 1.00 1.66 H new ATOM 0 HZ3 TRP A 36 -9.177 7.365 14.476 1.00 1.61 H new ATOM 0 HH2 TRP A 36 -9.423 5.270 15.745 1.00 1.66 H new ATOM 640 N THR A 37 -8.117 5.781 9.643 1.00 1.32 N ATOM 641 CA THR A 37 -6.775 6.224 10.070 1.00 1.29 C ATOM 642 C THR A 37 -5.797 6.341 8.898 1.00 1.23 C ATOM 643 O THR A 37 -5.173 7.390 8.751 1.00 1.21 O ATOM 644 CB THR A 37 -6.186 5.291 11.142 1.00 1.34 C ATOM 645 OG1 THR A 37 -7.024 5.271 12.277 1.00 1.41 O ATOM 646 CG2 THR A 37 -4.813 5.740 11.646 1.00 1.35 C ATOM 0 H THR A 37 -8.321 4.810 9.880 1.00 1.32 H new ATOM 0 HA THR A 37 -6.910 7.217 10.498 1.00 1.29 H new ATOM 0 HB THR A 37 -6.099 4.317 10.661 1.00 1.34 H new ATOM 0 HG1 THR A 37 -7.817 5.821 12.108 1.00 1.41 H new ATOM 0 HG21 THR A 37 -4.455 5.039 12.400 1.00 1.35 H new ATOM 0 HG22 THR A 37 -4.111 5.767 10.813 1.00 1.35 H new ATOM 0 HG23 THR A 37 -4.894 6.734 12.085 1.00 1.35 H new ATOM 654 N MET A 38 -5.669 5.330 8.024 1.00 1.20 N ATOM 655 CA MET A 38 -4.826 5.475 6.817 1.00 1.15 C ATOM 656 C MET A 38 -5.352 6.568 5.868 1.00 1.13 C ATOM 657 O MET A 38 -4.564 7.239 5.206 1.00 1.11 O ATOM 658 CB MET A 38 -4.601 4.146 6.075 1.00 1.14 C ATOM 659 CG MET A 38 -5.871 3.454 5.577 1.00 1.17 C ATOM 660 SD MET A 38 -5.618 2.349 4.162 1.00 1.17 S ATOM 661 CE MET A 38 -6.275 0.785 4.797 1.00 1.25 C ATOM 0 H MET A 38 -6.124 4.423 8.122 1.00 1.20 H new ATOM 0 HA MET A 38 -3.849 5.797 7.178 1.00 1.15 H new ATOM 0 HB2 MET A 38 -3.949 4.331 5.221 1.00 1.14 H new ATOM 0 HB3 MET A 38 -4.071 3.463 6.739 1.00 1.14 H new ATOM 0 HG2 MET A 38 -6.303 2.881 6.397 1.00 1.17 H new ATOM 0 HG3 MET A 38 -6.601 4.215 5.302 1.00 1.17 H new ATOM 0 HE1 MET A 38 -6.349 0.064 3.983 1.00 1.25 H new ATOM 0 HE2 MET A 38 -5.608 0.396 5.567 1.00 1.25 H new ATOM 0 HE3 MET A 38 -7.264 0.952 5.224 1.00 1.25 H new ATOM 671 N PHE A 39 -6.673 6.789 5.860 1.00 1.17 N ATOM 672 CA PHE A 39 -7.280 7.905 5.141 1.00 1.19 C ATOM 673 C PHE A 39 -6.847 9.260 5.699 1.00 1.20 C ATOM 674 O PHE A 39 -6.216 10.027 4.974 1.00 1.20 O ATOM 675 CB PHE A 39 -8.804 7.777 5.122 1.00 1.25 C ATOM 676 CG PHE A 39 -9.471 8.945 4.414 1.00 1.30 C ATOM 677 CD1 PHE A 39 -9.270 9.135 3.033 1.00 1.30 C ATOM 678 CD2 PHE A 39 -10.250 9.868 5.140 1.00 1.36 C ATOM 679 CE1 PHE A 39 -9.856 10.229 2.375 1.00 1.37 C ATOM 680 CE2 PHE A 39 -10.825 10.971 4.484 1.00 1.43 C ATOM 681 CZ PHE A 39 -10.624 11.154 3.103 1.00 1.44 C ATOM 0 H PHE A 39 -7.345 6.199 6.351 1.00 1.17 H new ATOM 0 HA PHE A 39 -6.919 7.858 4.114 1.00 1.19 H new ATOM 0 HB2 PHE A 39 -9.082 6.847 4.626 1.00 1.25 H new ATOM 0 HB3 PHE A 39 -9.174 7.716 6.145 1.00 1.25 H new ATOM 0 HD1 PHE A 39 -8.662 8.436 2.477 1.00 1.30 H new ATOM 0 HD2 PHE A 39 -10.405 9.728 6.200 1.00 1.36 H new ATOM 0 HE1 PHE A 39 -9.717 10.359 1.312 1.00 1.37 H new ATOM 0 HE2 PHE A 39 -11.422 11.679 5.041 1.00 1.43 H new ATOM 0 HZ PHE A 39 -11.060 12.006 2.602 1.00 1.44 H new ATOM 691 N GLN A 40 -7.112 9.569 6.977 1.00 1.24 N ATOM 692 CA GLN A 40 -6.697 10.875 7.522 1.00 1.27 C ATOM 693 C GLN A 40 -5.165 11.064 7.518 1.00 1.25 C ATOM 694 O GLN A 40 -4.692 12.189 7.352 1.00 1.28 O ATOM 695 CB GLN A 40 -7.327 11.111 8.908 1.00 1.33 C ATOM 696 CG GLN A 40 -6.689 10.266 10.018 1.00 1.33 C ATOM 697 CD GLN A 40 -7.563 10.190 11.264 1.00 1.39 C ATOM 698 OE1 GLN A 40 -7.355 10.873 12.257 1.00 1.44 O ATOM 699 NE2 GLN A 40 -8.566 9.340 11.255 1.00 1.40 N ATOM 0 H GLN A 40 -7.595 8.958 7.635 1.00 1.24 H new ATOM 0 HA GLN A 40 -7.079 11.647 6.854 1.00 1.27 H new ATOM 0 HB2 GLN A 40 -7.235 12.166 9.166 1.00 1.33 H new ATOM 0 HB3 GLN A 40 -8.393 10.887 8.858 1.00 1.33 H new ATOM 0 HG2 GLN A 40 -6.505 9.259 9.644 1.00 1.33 H new ATOM 0 HG3 GLN A 40 -5.720 10.690 10.282 1.00 1.33 H new ATOM 0 HE21 GLN A 40 -8.743 8.769 10.429 1.00 1.40 H new ATOM 0 HE22 GLN A 40 -9.167 9.252 12.074 1.00 1.40 H new ATOM 708 N ALA A 41 -4.388 9.978 7.609 1.00 1.21 N ATOM 709 CA ALA A 41 -2.944 10.004 7.391 1.00 1.20 C ATOM 710 C ALA A 41 -2.592 10.415 5.953 1.00 1.18 C ATOM 711 O ALA A 41 -1.862 11.386 5.759 1.00 1.21 O ATOM 712 CB ALA A 41 -2.353 8.637 7.749 1.00 1.18 C ATOM 0 H ALA A 41 -4.750 9.052 7.838 1.00 1.21 H new ATOM 0 HA ALA A 41 -2.504 10.760 8.041 1.00 1.20 H new ATOM 0 HB1 ALA A 41 -1.275 8.653 7.587 1.00 1.18 H new ATOM 0 HB2 ALA A 41 -2.560 8.414 8.796 1.00 1.18 H new ATOM 0 HB3 ALA A 41 -2.803 7.870 7.119 1.00 1.18 H new ATOM 718 N ALA A 42 -3.159 9.760 4.936 1.00 1.14 N ATOM 719 CA ALA A 42 -2.973 10.146 3.537 1.00 1.14 C ATOM 720 C ALA A 42 -3.397 11.598 3.264 1.00 1.20 C ATOM 721 O ALA A 42 -2.703 12.306 2.545 1.00 1.23 O ATOM 722 CB ALA A 42 -3.727 9.164 2.631 1.00 1.11 C ATOM 0 H ALA A 42 -3.761 8.946 5.061 1.00 1.14 H new ATOM 0 HA ALA A 42 -1.907 10.097 3.313 1.00 1.14 H new ATOM 0 HB1 ALA A 42 -3.589 9.451 1.589 1.00 1.11 H new ATOM 0 HB2 ALA A 42 -3.340 8.157 2.784 1.00 1.11 H new ATOM 0 HB3 ALA A 42 -4.789 9.185 2.875 1.00 1.11 H new ATOM 728 N GLN A 43 -4.480 12.070 3.889 1.00 1.23 N ATOM 729 CA GLN A 43 -4.954 13.449 3.717 1.00 1.31 C ATOM 730 C GLN A 43 -4.007 14.482 4.362 1.00 1.35 C ATOM 731 O GLN A 43 -3.941 15.623 3.902 1.00 1.42 O ATOM 732 CB GLN A 43 -6.391 13.601 4.245 1.00 1.35 C ATOM 733 CG GLN A 43 -7.438 12.799 3.445 1.00 1.35 C ATOM 734 CD GLN A 43 -7.463 13.121 1.949 1.00 1.38 C ATOM 735 OE1 GLN A 43 -7.494 14.269 1.525 1.00 1.45 O ATOM 736 NE2 GLN A 43 -7.431 12.126 1.086 1.00 1.35 N ATOM 0 H GLN A 43 -5.050 11.512 4.525 1.00 1.23 H new ATOM 0 HA GLN A 43 -4.957 13.657 2.647 1.00 1.31 H new ATOM 0 HB2 GLN A 43 -6.421 13.281 5.287 1.00 1.35 H new ATOM 0 HB3 GLN A 43 -6.665 14.656 4.227 1.00 1.35 H new ATOM 0 HG2 GLN A 43 -7.240 11.735 3.573 1.00 1.35 H new ATOM 0 HG3 GLN A 43 -8.426 12.992 3.864 1.00 1.35 H new ATOM 0 HE21 GLN A 43 -7.405 11.162 1.419 1.00 1.35 H new ATOM 0 HE22 GLN A 43 -7.432 12.319 0.084 1.00 1.35 H new ATOM 745 N LYS A 44 -3.221 14.063 5.366 1.00 1.33 N ATOM 746 CA LYS A 44 -2.150 14.900 5.932 1.00 1.39 C ATOM 747 C LYS A 44 -0.909 14.875 5.039 1.00 1.39 C ATOM 748 O LYS A 44 -0.376 15.929 4.693 1.00 1.45 O ATOM 749 CB LYS A 44 -1.850 14.415 7.361 1.00 1.39 C ATOM 750 CG LYS A 44 -0.930 15.378 8.124 1.00 1.47 C ATOM 751 CD LYS A 44 -0.528 14.843 9.505 1.00 1.49 C ATOM 752 CE LYS A 44 -1.742 14.506 10.384 1.00 1.49 C ATOM 753 NZ LYS A 44 -1.319 14.152 11.762 1.00 1.53 N ATOM 0 H LYS A 44 -3.307 13.146 5.804 1.00 1.33 H new ATOM 0 HA LYS A 44 -2.473 15.940 5.978 1.00 1.39 H new ATOM 0 HB2 LYS A 44 -2.786 14.302 7.907 1.00 1.39 H new ATOM 0 HB3 LYS A 44 -1.385 13.430 7.318 1.00 1.39 H new ATOM 0 HG2 LYS A 44 -0.032 15.560 7.534 1.00 1.47 H new ATOM 0 HG3 LYS A 44 -1.433 16.337 8.243 1.00 1.47 H new ATOM 0 HD2 LYS A 44 0.085 13.950 9.380 1.00 1.49 H new ATOM 0 HD3 LYS A 44 0.089 15.585 10.013 1.00 1.49 H new ATOM 0 HE2 LYS A 44 -2.420 15.359 10.416 1.00 1.49 H new ATOM 0 HE3 LYS A 44 -2.294 13.675 9.945 1.00 1.49 H new ATOM 0 HZ1 LYS A 44 -2.157 13.929 12.336 1.00 1.53 H new ATOM 0 HZ2 LYS A 44 -0.690 13.324 11.730 1.00 1.53 H new ATOM 0 HZ3 LYS A 44 -0.813 14.955 12.187 1.00 1.53 H new ATOM 767 N LEU A 45 -0.518 13.675 4.603 1.00 1.32 N ATOM 768 CA LEU A 45 0.565 13.497 3.627 1.00 1.32 C ATOM 769 C LEU A 45 0.190 13.908 2.165 1.00 1.34 C ATOM 770 O LEU A 45 0.952 13.611 1.240 1.00 1.34 O ATOM 771 CB LEU A 45 1.151 12.059 3.769 1.00 1.27 C ATOM 772 CG LEU A 45 2.011 11.702 5.020 1.00 1.30 C ATOM 773 CD1 LEU A 45 3.046 12.783 5.341 1.00 1.39 C ATOM 774 CD2 LEU A 45 1.212 11.434 6.293 1.00 1.29 C ATOM 0 H LEU A 45 -0.941 12.800 4.914 1.00 1.32 H new ATOM 0 HA LEU A 45 1.358 14.207 3.863 1.00 1.32 H new ATOM 0 HB2 LEU A 45 0.315 11.361 3.737 1.00 1.27 H new ATOM 0 HB3 LEU A 45 1.761 11.866 2.887 1.00 1.27 H new ATOM 0 HG LEU A 45 2.499 10.773 4.725 1.00 1.30 H new ATOM 0 HD11 LEU A 45 3.619 12.488 6.220 1.00 1.39 H new ATOM 0 HD12 LEU A 45 3.719 12.905 4.493 1.00 1.39 H new ATOM 0 HD13 LEU A 45 2.537 13.726 5.540 1.00 1.39 H new ATOM 0 HD21 LEU A 45 1.895 11.194 7.108 1.00 1.29 H new ATOM 0 HD22 LEU A 45 0.634 12.321 6.553 1.00 1.29 H new ATOM 0 HD23 LEU A 45 0.536 10.595 6.128 1.00 1.29 H new ATOM 786 N GLY A 46 -0.935 14.617 1.946 1.00 1.36 N ATOM 787 CA GLY A 46 -1.206 15.274 0.638 1.00 1.42 C ATOM 788 C GLY A 46 -2.225 14.597 -0.301 1.00 1.40 C ATOM 789 O GLY A 46 -2.184 14.782 -1.521 1.00 1.44 O ATOM 0 H GLY A 46 -1.666 14.752 2.644 1.00 1.36 H new ATOM 0 HA2 GLY A 46 -1.553 16.288 0.836 1.00 1.42 H new ATOM 0 HA3 GLY A 46 -0.261 15.360 0.102 1.00 1.42 H new ATOM 793 N GLY A 47 -3.129 13.819 0.291 1.00 1.34 N ATOM 794 CA GLY A 47 -4.035 12.932 -0.433 1.00 1.32 C ATOM 795 C GLY A 47 -3.323 11.861 -1.264 1.00 1.28 C ATOM 796 O GLY A 47 -2.101 11.872 -1.441 1.00 1.27 O ATOM 0 H GLY A 47 -3.254 13.787 1.303 1.00 1.34 H new ATOM 0 HA2 GLY A 47 -4.697 12.443 0.282 1.00 1.32 H new ATOM 0 HA3 GLY A 47 -4.664 13.531 -1.092 1.00 1.32 H new ATOM 800 N TYR A 48 -4.115 10.950 -1.832 1.00 1.27 N ATOM 801 CA TYR A 48 -3.612 9.973 -2.810 1.00 1.26 C ATOM 802 C TYR A 48 -2.846 10.612 -3.990 1.00 1.32 C ATOM 803 O TYR A 48 -2.022 9.954 -4.627 1.00 1.31 O ATOM 804 CB TYR A 48 -4.785 9.124 -3.309 1.00 1.28 C ATOM 805 CG TYR A 48 -4.376 7.849 -4.027 1.00 1.26 C ATOM 806 CD1 TYR A 48 -4.012 6.712 -3.279 1.00 1.20 C ATOM 807 CD2 TYR A 48 -4.370 7.794 -5.434 1.00 1.33 C ATOM 808 CE1 TYR A 48 -3.676 5.511 -3.931 1.00 1.21 C ATOM 809 CE2 TYR A 48 -4.016 6.600 -6.091 1.00 1.33 C ATOM 810 CZ TYR A 48 -3.681 5.454 -5.341 1.00 1.27 C ATOM 811 OH TYR A 48 -3.367 4.298 -5.986 1.00 1.29 O ATOM 0 H TYR A 48 -5.112 10.865 -1.633 1.00 1.27 H new ATOM 0 HA TYR A 48 -2.879 9.346 -2.302 1.00 1.26 H new ATOM 0 HB2 TYR A 48 -5.415 8.862 -2.459 1.00 1.28 H new ATOM 0 HB3 TYR A 48 -5.393 9.727 -3.983 1.00 1.28 H new ATOM 0 HD1 TYR A 48 -3.991 6.762 -2.200 1.00 1.20 H new ATOM 0 HD2 TYR A 48 -4.637 8.668 -6.009 1.00 1.33 H new ATOM 0 HE1 TYR A 48 -3.415 4.636 -3.354 1.00 1.21 H new ATOM 0 HE2 TYR A 48 -4.001 6.562 -7.170 1.00 1.33 H new ATOM 0 HH TYR A 48 -3.422 4.438 -6.954 1.00 1.29 H new ATOM 821 N GLU A 49 -3.069 11.900 -4.277 1.00 1.39 N ATOM 822 CA GLU A 49 -2.439 12.565 -5.429 1.00 1.47 C ATOM 823 C GLU A 49 -0.973 12.931 -5.169 1.00 1.46 C ATOM 824 O GLU A 49 -0.110 12.587 -5.982 1.00 1.48 O ATOM 825 CB GLU A 49 -3.251 13.805 -5.821 1.00 1.57 C ATOM 826 CG GLU A 49 -4.536 13.391 -6.549 1.00 1.61 C ATOM 827 CD GLU A 49 -5.478 14.585 -6.752 1.00 1.71 C ATOM 828 OE1 GLU A 49 -5.191 15.470 -7.596 1.00 1.80 O ATOM 829 OE2 GLU A 49 -6.531 14.623 -6.072 1.00 1.72 O ATOM 0 H GLU A 49 -3.681 12.504 -3.729 1.00 1.39 H new ATOM 0 HA GLU A 49 -2.437 11.857 -6.257 1.00 1.47 H new ATOM 0 HB2 GLU A 49 -3.499 14.382 -4.930 1.00 1.57 H new ATOM 0 HB3 GLU A 49 -2.653 14.452 -6.463 1.00 1.57 H new ATOM 0 HG2 GLU A 49 -4.283 12.957 -7.517 1.00 1.61 H new ATOM 0 HG3 GLU A 49 -5.047 12.617 -5.976 1.00 1.61 H new ATOM 836 N THR A 50 -0.648 13.542 -4.022 1.00 1.44 N ATOM 837 CA THR A 50 0.753 13.727 -3.606 1.00 1.45 C ATOM 838 C THR A 50 1.414 12.373 -3.358 1.00 1.37 C ATOM 839 O THR A 50 2.568 12.171 -3.735 1.00 1.40 O ATOM 840 CB THR A 50 0.890 14.606 -2.354 1.00 1.46 C ATOM 841 OG1 THR A 50 0.271 15.857 -2.571 1.00 1.54 O ATOM 842 CG2 THR A 50 2.345 14.907 -1.990 1.00 1.50 C ATOM 0 H THR A 50 -1.333 13.917 -3.365 1.00 1.44 H new ATOM 0 HA THR A 50 1.257 14.244 -4.423 1.00 1.45 H new ATOM 0 HB THR A 50 0.422 14.043 -1.547 1.00 1.46 H new ATOM 0 HG1 THR A 50 -0.666 15.812 -2.288 1.00 1.54 H new ATOM 0 HG21 THR A 50 2.375 15.532 -1.097 1.00 1.50 H new ATOM 0 HG22 THR A 50 2.873 13.973 -1.797 1.00 1.50 H new ATOM 0 HG23 THR A 50 2.826 15.431 -2.816 1.00 1.50 H new ATOM 850 N ILE A 51 0.667 11.410 -2.806 1.00 1.30 N ATOM 851 CA ILE A 51 1.146 10.030 -2.646 1.00 1.24 C ATOM 852 C ILE A 51 1.594 9.412 -3.981 1.00 1.27 C ATOM 853 O ILE A 51 2.670 8.824 -4.046 1.00 1.27 O ATOM 854 CB ILE A 51 0.062 9.206 -1.900 1.00 1.18 C ATOM 855 CG1 ILE A 51 0.406 9.035 -0.410 1.00 1.14 C ATOM 856 CG2 ILE A 51 -0.223 7.828 -2.509 1.00 1.15 C ATOM 857 CD1 ILE A 51 0.258 10.335 0.394 1.00 1.17 C ATOM 0 H ILE A 51 -0.280 11.562 -2.459 1.00 1.30 H new ATOM 0 HA ILE A 51 2.048 10.022 -2.035 1.00 1.24 H new ATOM 0 HB ILE A 51 -0.847 9.798 -2.012 1.00 1.18 H new ATOM 0 HG12 ILE A 51 -0.242 8.272 0.021 1.00 1.14 H new ATOM 0 HG13 ILE A 51 1.430 8.673 -0.319 1.00 1.14 H new ATOM 0 HG21 ILE A 51 -0.992 7.324 -1.924 1.00 1.15 H new ATOM 0 HG22 ILE A 51 -0.569 7.948 -3.536 1.00 1.15 H new ATOM 0 HG23 ILE A 51 0.689 7.231 -2.501 1.00 1.15 H new ATOM 0 HD11 ILE A 51 0.515 10.149 1.437 1.00 1.17 H new ATOM 0 HD12 ILE A 51 0.926 11.093 -0.014 1.00 1.17 H new ATOM 0 HD13 ILE A 51 -0.772 10.687 0.331 1.00 1.17 H new ATOM 869 N THR A 52 0.813 9.575 -5.047 1.00 1.30 N ATOM 870 CA THR A 52 1.165 9.028 -6.372 1.00 1.35 C ATOM 871 C THR A 52 2.293 9.814 -7.034 1.00 1.42 C ATOM 872 O THR A 52 3.176 9.212 -7.651 1.00 1.45 O ATOM 873 CB THR A 52 -0.077 8.982 -7.273 1.00 1.39 C ATOM 874 OG1 THR A 52 -1.023 8.125 -6.672 1.00 1.34 O ATOM 875 CG2 THR A 52 0.194 8.398 -8.661 1.00 1.45 C ATOM 0 H THR A 52 -0.072 10.082 -5.027 1.00 1.30 H new ATOM 0 HA THR A 52 1.531 8.012 -6.226 1.00 1.35 H new ATOM 0 HB THR A 52 -0.416 10.012 -7.387 1.00 1.39 H new ATOM 0 HG1 THR A 52 -1.457 8.589 -5.926 1.00 1.34 H new ATOM 0 HG21 THR A 52 -0.728 8.397 -9.242 1.00 1.45 H new ATOM 0 HG22 THR A 52 0.943 9.004 -9.171 1.00 1.45 H new ATOM 0 HG23 THR A 52 0.561 7.376 -8.561 1.00 1.45 H new ATOM 883 N ALA A 53 2.326 11.136 -6.847 1.00 1.47 N ATOM 884 CA ALA A 53 3.412 11.974 -7.351 1.00 1.55 C ATOM 885 C ALA A 53 4.763 11.754 -6.628 1.00 1.54 C ATOM 886 O ALA A 53 5.804 12.068 -7.214 1.00 1.61 O ATOM 887 CB ALA A 53 2.967 13.438 -7.240 1.00 1.61 C ATOM 0 H ALA A 53 1.604 11.652 -6.344 1.00 1.47 H new ATOM 0 HA ALA A 53 3.600 11.694 -8.388 1.00 1.55 H new ATOM 0 HB1 ALA A 53 3.760 14.088 -7.610 1.00 1.61 H new ATOM 0 HB2 ALA A 53 2.066 13.590 -7.834 1.00 1.61 H new ATOM 0 HB3 ALA A 53 2.759 13.677 -6.197 1.00 1.61 H new ATOM 893 N ARG A 54 4.761 11.230 -5.386 1.00 1.47 N ATOM 894 CA ARG A 54 5.987 11.210 -4.546 1.00 1.49 C ATOM 895 C ARG A 54 6.328 9.874 -3.866 1.00 1.44 C ATOM 896 O ARG A 54 7.400 9.773 -3.270 1.00 1.48 O ATOM 897 CB ARG A 54 5.865 12.302 -3.460 1.00 1.51 C ATOM 898 CG ARG A 54 5.717 13.751 -3.963 1.00 1.59 C ATOM 899 CD ARG A 54 6.936 14.276 -4.738 1.00 1.68 C ATOM 900 NE ARG A 54 8.175 14.261 -3.929 1.00 1.72 N ATOM 901 CZ ARG A 54 8.554 15.142 -3.020 1.00 1.77 C ATOM 902 NH1 ARG A 54 7.839 16.190 -2.719 1.00 1.79 N ATOM 903 NH2 ARG A 54 9.681 14.986 -2.387 1.00 1.82 N ATOM 0 H ARG A 54 3.939 10.819 -4.942 1.00 1.47 H new ATOM 0 HA ARG A 54 6.806 11.389 -5.243 1.00 1.49 H new ATOM 0 HB2 ARG A 54 5.004 12.067 -2.834 1.00 1.51 H new ATOM 0 HB3 ARG A 54 6.747 12.250 -2.822 1.00 1.51 H new ATOM 0 HG2 ARG A 54 4.838 13.813 -4.605 1.00 1.59 H new ATOM 0 HG3 ARG A 54 5.535 14.403 -3.109 1.00 1.59 H new ATOM 0 HD2 ARG A 54 7.083 13.669 -5.631 1.00 1.68 H new ATOM 0 HD3 ARG A 54 6.738 15.294 -5.073 1.00 1.68 H new ATOM 0 HE ARG A 54 8.810 13.480 -4.092 1.00 1.72 H new ATOM 0 HH11 ARG A 54 6.950 16.354 -3.192 1.00 1.79 H new ATOM 0 HH12 ARG A 54 8.168 16.846 -2.011 1.00 1.79 H new ATOM 0 HH21 ARG A 54 10.274 14.182 -2.592 1.00 1.82 H new ATOM 0 HH22 ARG A 54 9.971 15.668 -1.686 1.00 1.82 H new ATOM 917 N ARG A 55 5.458 8.854 -3.942 1.00 1.37 N ATOM 918 CA ARG A 55 5.537 7.597 -3.153 1.00 1.32 C ATOM 919 C ARG A 55 5.679 7.922 -1.663 1.00 1.31 C ATOM 920 O ARG A 55 6.608 7.513 -0.967 1.00 1.35 O ATOM 921 CB ARG A 55 6.596 6.629 -3.735 1.00 1.37 C ATOM 922 CG ARG A 55 6.558 6.492 -5.274 1.00 1.40 C ATOM 923 CD ARG A 55 5.201 6.048 -5.852 1.00 1.35 C ATOM 924 NE ARG A 55 4.836 6.825 -7.055 1.00 1.40 N ATOM 925 CZ ARG A 55 5.228 6.635 -8.300 1.00 1.46 C ATOM 926 NH1 ARG A 55 6.030 5.668 -8.648 1.00 1.49 N ATOM 927 NH2 ARG A 55 4.808 7.447 -9.224 1.00 1.51 N ATOM 0 H ARG A 55 4.654 8.874 -4.570 1.00 1.37 H new ATOM 0 HA ARG A 55 4.604 7.039 -3.238 1.00 1.32 H new ATOM 0 HB2 ARG A 55 7.587 6.972 -3.437 1.00 1.37 H new ATOM 0 HB3 ARG A 55 6.453 5.644 -3.291 1.00 1.37 H new ATOM 0 HG2 ARG A 55 6.829 7.451 -5.716 1.00 1.40 H new ATOM 0 HG3 ARG A 55 7.319 5.774 -5.579 1.00 1.40 H new ATOM 0 HD2 ARG A 55 5.242 4.988 -6.103 1.00 1.35 H new ATOM 0 HD3 ARG A 55 4.427 6.167 -5.094 1.00 1.35 H new ATOM 0 HE ARG A 55 4.200 7.608 -6.903 1.00 1.40 H new ATOM 0 HH11 ARG A 55 6.382 5.019 -7.944 1.00 1.49 H new ATOM 0 HH12 ARG A 55 6.306 5.561 -9.624 1.00 1.49 H new ATOM 0 HH21 ARG A 55 4.185 8.217 -8.981 1.00 1.51 H new ATOM 0 HH22 ARG A 55 5.102 7.314 -10.192 1.00 1.51 H new ATOM 941 N GLN A 56 4.698 8.709 -1.210 1.00 1.28 N ATOM 942 CA GLN A 56 4.709 9.281 0.141 1.00 1.29 C ATOM 943 C GLN A 56 4.175 8.302 1.210 1.00 1.24 C ATOM 944 O GLN A 56 4.155 8.654 2.388 1.00 1.25 O ATOM 945 CB GLN A 56 3.950 10.623 0.156 1.00 1.30 C ATOM 946 CG GLN A 56 4.584 11.692 1.065 1.00 1.37 C ATOM 947 CD GLN A 56 5.673 12.501 0.357 1.00 1.46 C ATOM 948 OE1 GLN A 56 5.396 13.377 -0.449 1.00 1.49 O ATOM 949 NE2 GLN A 56 6.944 12.272 0.611 1.00 1.51 N ATOM 0 H GLN A 56 3.881 8.966 -1.763 1.00 1.28 H new ATOM 0 HA GLN A 56 5.748 9.469 0.410 1.00 1.29 H new ATOM 0 HB2 GLN A 56 3.898 11.011 -0.861 1.00 1.30 H new ATOM 0 HB3 GLN A 56 2.925 10.445 0.482 1.00 1.30 H new ATOM 0 HG2 GLN A 56 3.807 12.369 1.419 1.00 1.37 H new ATOM 0 HG3 GLN A 56 5.010 11.209 1.944 1.00 1.37 H new ATOM 0 HE21 GLN A 56 7.208 11.548 1.279 1.00 1.51 H new ATOM 0 HE22 GLN A 56 7.665 12.819 0.140 1.00 1.51 H new ATOM 958 N TRP A 57 3.783 7.068 0.847 1.00 1.19 N ATOM 959 CA TRP A 57 3.371 6.025 1.804 1.00 1.17 C ATOM 960 C TRP A 57 4.413 5.750 2.890 1.00 1.24 C ATOM 961 O TRP A 57 4.037 5.487 4.028 1.00 1.24 O ATOM 962 CB TRP A 57 2.999 4.716 1.096 1.00 1.15 C ATOM 963 CG TRP A 57 1.724 4.768 0.330 1.00 1.11 C ATOM 964 CD1 TRP A 57 1.603 4.963 -1.000 1.00 1.11 C ATOM 965 CD2 TRP A 57 0.370 4.627 0.851 1.00 1.07 C ATOM 966 NE1 TRP A 57 0.265 4.980 -1.331 1.00 1.09 N ATOM 967 CE2 TRP A 57 -0.544 4.794 -0.230 1.00 1.07 C ATOM 968 CE3 TRP A 57 -0.180 4.394 2.129 1.00 1.07 C ATOM 969 CZ2 TRP A 57 -1.934 4.763 -0.047 1.00 1.06 C ATOM 970 CZ3 TRP A 57 -1.569 4.344 2.324 1.00 1.06 C ATOM 971 CH2 TRP A 57 -2.441 4.534 1.241 1.00 1.06 C ATOM 0 H TRP A 57 3.743 6.764 -0.126 1.00 1.19 H new ATOM 0 HA TRP A 57 2.486 6.426 2.298 1.00 1.17 H new ATOM 0 HB2 TRP A 57 3.806 4.444 0.415 1.00 1.15 H new ATOM 0 HB3 TRP A 57 2.929 3.923 1.840 1.00 1.15 H new ATOM 0 HD1 TRP A 57 2.422 5.086 -1.693 1.00 1.11 H new ATOM 0 HE1 TRP A 57 -0.086 5.114 -2.279 1.00 1.09 H new ATOM 0 HE3 TRP A 57 0.479 4.252 2.972 1.00 1.07 H new ATOM 0 HZ2 TRP A 57 -2.602 4.913 -0.882 1.00 1.06 H new ATOM 0 HZ3 TRP A 57 -1.968 4.159 3.310 1.00 1.06 H new ATOM 0 HH2 TRP A 57 -3.509 4.504 1.400 1.00 1.06 H new ATOM 982 N LYS A 58 5.643 6.040 2.553 1.00 1.32 N ATOM 983 CA LYS A 58 6.752 5.915 3.462 1.00 1.42 C ATOM 984 C LYS A 58 6.533 6.830 4.683 1.00 1.43 C ATOM 985 O LYS A 58 7.050 6.568 5.766 1.00 1.51 O ATOM 986 CB LYS A 58 8.025 6.277 2.704 1.00 1.54 C ATOM 987 CG LYS A 58 8.137 5.582 1.343 1.00 1.98 C ATOM 988 CD LYS A 58 7.645 4.135 1.382 1.00 2.07 C ATOM 989 CE LYS A 58 8.514 3.251 2.260 1.00 2.58 C ATOM 990 NZ LYS A 58 8.263 1.807 2.013 1.00 2.89 N ATOM 0 H LYS A 58 5.906 6.374 1.626 1.00 1.32 H new ATOM 0 HA LYS A 58 6.839 4.895 3.836 1.00 1.42 H new ATOM 0 HB2 LYS A 58 8.058 7.357 2.557 1.00 1.54 H new ATOM 0 HB3 LYS A 58 8.890 6.012 3.312 1.00 1.54 H new ATOM 0 HG2 LYS A 58 7.559 6.139 0.606 1.00 1.98 H new ATOM 0 HG3 LYS A 58 9.176 5.600 1.014 1.00 1.98 H new ATOM 0 HD2 LYS A 58 6.620 4.113 1.751 1.00 2.07 H new ATOM 0 HD3 LYS A 58 7.628 3.732 0.369 1.00 2.07 H new ATOM 0 HE2 LYS A 58 9.564 3.474 2.073 1.00 2.58 H new ATOM 0 HE3 LYS A 58 8.321 3.479 3.308 1.00 2.58 H new ATOM 0 HZ1 LYS A 58 8.875 1.237 2.631 1.00 2.89 H new ATOM 0 HZ2 LYS A 58 7.267 1.588 2.216 1.00 2.89 H new ATOM 0 HZ3 LYS A 58 8.471 1.584 1.019 1.00 2.89 H new ATOM 1004 N HIS A 59 5.785 7.927 4.468 1.00 1.39 N ATOM 1005 CA HIS A 59 5.445 8.885 5.527 1.00 1.40 C ATOM 1006 C HIS A 59 4.308 8.365 6.429 1.00 1.32 C ATOM 1007 O HIS A 59 4.292 8.653 7.622 1.00 1.35 O ATOM 1008 CB HIS A 59 5.115 10.245 4.926 1.00 1.43 C ATOM 1009 CG HIS A 59 6.321 10.998 4.453 1.00 1.58 C ATOM 1010 ND1 HIS A 59 6.518 12.339 4.705 1.00 1.81 N ATOM 1011 CD2 HIS A 59 7.391 10.595 3.722 1.00 1.59 C ATOM 1012 CE1 HIS A 59 7.650 12.731 4.147 1.00 1.93 C ATOM 1013 NE2 HIS A 59 8.201 11.692 3.544 1.00 1.79 N ATOM 0 H HIS A 59 5.401 8.171 3.555 1.00 1.39 H new ATOM 0 HA HIS A 59 6.318 9.002 6.169 1.00 1.40 H new ATOM 0 HB2 HIS A 59 4.431 10.107 4.089 1.00 1.43 H new ATOM 0 HB3 HIS A 59 4.591 10.845 5.670 1.00 1.43 H new ATOM 0 HD2 HIS A 59 7.573 9.598 3.349 1.00 1.59 H new ATOM 0 HE1 HIS A 59 8.056 13.731 4.178 1.00 1.93 H new ATOM 0 HE2 HIS A 59 9.082 11.702 3.031 1.00 1.79 H new ATOM 1022 N ILE A 60 3.314 7.666 5.849 1.00 1.23 N ATOM 1023 CA ILE A 60 2.272 7.016 6.658 1.00 1.20 C ATOM 1024 C ILE A 60 2.976 6.015 7.569 1.00 1.27 C ATOM 1025 O ILE A 60 2.722 6.038 8.763 1.00 1.33 O ATOM 1026 CB ILE A 60 1.157 6.375 5.802 1.00 1.15 C ATOM 1027 CG1 ILE A 60 0.314 7.509 5.177 1.00 1.14 C ATOM 1028 CG2 ILE A 60 0.279 5.430 6.647 1.00 1.18 C ATOM 1029 CD1 ILE A 60 -0.702 7.036 4.135 1.00 1.14 C ATOM 0 H ILE A 60 3.213 7.539 4.842 1.00 1.23 H new ATOM 0 HA ILE A 60 1.743 7.758 7.256 1.00 1.20 H new ATOM 0 HB ILE A 60 1.602 5.769 5.013 1.00 1.15 H new ATOM 0 HG12 ILE A 60 -0.216 8.033 5.972 1.00 1.14 H new ATOM 0 HG13 ILE A 60 0.985 8.231 4.712 1.00 1.14 H new ATOM 0 HG21 ILE A 60 -0.497 4.994 6.017 1.00 1.18 H new ATOM 0 HG22 ILE A 60 0.897 4.635 7.064 1.00 1.18 H new ATOM 0 HG23 ILE A 60 -0.185 5.992 7.457 1.00 1.18 H new ATOM 0 HD11 ILE A 60 -1.251 7.894 3.747 1.00 1.14 H new ATOM 0 HD12 ILE A 60 -0.180 6.539 3.317 1.00 1.14 H new ATOM 0 HD13 ILE A 60 -1.400 6.338 4.598 1.00 1.14 H new ATOM 1238 N THR A 77 -0.406 -1.213 2.876 1.00 1.35 N ATOM 1239 CA THR A 77 -1.472 -0.236 3.104 1.00 1.39 C ATOM 1240 C THR A 77 -1.876 0.450 1.794 1.00 1.34 C ATOM 1241 O THR A 77 -3.018 0.873 1.627 1.00 1.38 O ATOM 1242 CB THR A 77 -1.044 0.828 4.136 1.00 1.41 C ATOM 1243 OG1 THR A 77 -0.515 0.187 5.299 1.00 1.48 O ATOM 1244 CG2 THR A 77 -2.220 1.704 4.538 1.00 1.49 C ATOM 0 HA THR A 77 -2.330 -0.779 3.499 1.00 1.39 H new ATOM 0 HB THR A 77 -0.281 1.458 3.678 1.00 1.41 H new ATOM 0 HG1 THR A 77 -0.062 -0.642 5.038 1.00 1.48 H new ATOM 0 HG21 THR A 77 -1.890 2.445 5.266 1.00 1.49 H new ATOM 0 HG22 THR A 77 -2.614 2.211 3.657 1.00 1.49 H new ATOM 0 HG23 THR A 77 -3.001 1.085 4.979 1.00 1.49 H new ATOM 1252 N ARG A 78 -0.920 0.548 0.874 1.00 1.27 N ATOM 1253 CA ARG A 78 -1.137 1.163 -0.435 1.00 1.25 C ATOM 1254 C ARG A 78 -2.077 0.301 -1.293 1.00 1.30 C ATOM 1255 O ARG A 78 -2.948 0.813 -1.999 1.00 1.29 O ATOM 1256 CB ARG A 78 0.235 1.338 -1.119 1.00 1.25 C ATOM 1257 CG ARG A 78 0.201 1.443 -2.641 1.00 1.33 C ATOM 1258 CD ARG A 78 1.514 0.956 -3.253 1.00 1.40 C ATOM 1259 NE ARG A 78 1.429 0.787 -4.705 1.00 1.56 N ATOM 1260 CZ ARG A 78 2.399 0.251 -5.452 1.00 1.92 C ATOM 1261 NH1 ARG A 78 3.533 -0.162 -4.893 1.00 2.01 N ATOM 1262 NH2 ARG A 78 2.238 0.129 -6.763 1.00 2.42 N ATOM 0 H ARG A 78 0.029 0.203 1.014 1.00 1.27 H new ATOM 0 HA ARG A 78 -1.614 2.136 -0.316 1.00 1.25 H new ATOM 0 HB2 ARG A 78 0.708 2.235 -0.721 1.00 1.25 H new ATOM 0 HB3 ARG A 78 0.869 0.495 -0.844 1.00 1.25 H new ATOM 0 HG2 ARG A 78 -0.628 0.852 -3.031 1.00 1.33 H new ATOM 0 HG3 ARG A 78 0.021 2.477 -2.934 1.00 1.33 H new ATOM 0 HD2 ARG A 78 2.306 1.668 -3.019 1.00 1.40 H new ATOM 0 HD3 ARG A 78 1.794 0.007 -2.796 1.00 1.40 H new ATOM 0 HE ARG A 78 0.578 1.097 -5.175 1.00 1.56 H new ATOM 0 HH11 ARG A 78 3.668 -0.071 -3.886 1.00 2.01 H new ATOM 0 HH12 ARG A 78 4.268 -0.570 -5.471 1.00 2.01 H new ATOM 0 HH21 ARG A 78 1.373 0.444 -7.202 1.00 2.42 H new ATOM 0 HH22 ARG A 78 2.979 -0.280 -7.332 1.00 2.42 H new ATOM 1276 N ARG A 79 -1.884 -1.009 -1.199 1.00 1.37 N ATOM 1277 CA ARG A 79 -2.645 -2.003 -1.947 1.00 1.45 C ATOM 1278 C ARG A 79 -4.048 -2.240 -1.375 1.00 1.48 C ATOM 1279 O ARG A 79 -4.959 -2.612 -2.112 1.00 1.54 O ATOM 1280 CB ARG A 79 -1.866 -3.324 -2.069 1.00 1.52 C ATOM 1281 CG ARG A 79 -0.480 -3.142 -2.719 1.00 1.51 C ATOM 1282 CD ARG A 79 0.242 -4.479 -2.930 1.00 1.59 C ATOM 1283 NE ARG A 79 -0.396 -5.298 -3.982 1.00 1.67 N ATOM 1284 CZ ARG A 79 -0.059 -6.523 -4.344 1.00 1.76 C ATOM 1285 NH1 ARG A 79 0.920 -7.169 -3.775 1.00 1.79 N ATOM 1286 NH2 ARG A 79 -0.702 -7.131 -5.299 1.00 1.82 N ATOM 0 H ARG A 79 -1.178 -1.419 -0.587 1.00 1.37 H new ATOM 0 HA ARG A 79 -2.785 -1.592 -2.947 1.00 1.45 H new ATOM 0 HB2 ARG A 79 -1.743 -3.761 -1.078 1.00 1.52 H new ATOM 0 HB3 ARG A 79 -2.449 -4.031 -2.659 1.00 1.52 H new ATOM 0 HG2 ARG A 79 -0.594 -2.637 -3.678 1.00 1.51 H new ATOM 0 HG3 ARG A 79 0.132 -2.496 -2.090 1.00 1.51 H new ATOM 0 HD2 ARG A 79 1.281 -4.290 -3.199 1.00 1.59 H new ATOM 0 HD3 ARG A 79 0.251 -5.037 -1.993 1.00 1.59 H new ATOM 0 HE ARG A 79 -1.178 -4.873 -4.480 1.00 1.67 H new ATOM 0 HH11 ARG A 79 1.453 -6.729 -3.025 1.00 1.79 H new ATOM 0 HH12 ARG A 79 1.153 -8.114 -4.080 1.00 1.79 H new ATOM 0 HH21 ARG A 79 -1.473 -6.661 -5.774 1.00 1.82 H new ATOM 0 HH22 ARG A 79 -0.435 -8.077 -5.572 1.00 1.82 H new ATOM 1300 N HIS A 80 -4.234 -1.984 -0.079 1.00 1.47 N ATOM 1301 CA HIS A 80 -5.545 -1.951 0.569 1.00 1.50 C ATOM 1302 C HIS A 80 -6.287 -0.651 0.223 1.00 1.44 C ATOM 1303 O HIS A 80 -7.407 -0.708 -0.281 1.00 1.48 O ATOM 1304 CB HIS A 80 -5.370 -2.156 2.085 1.00 1.52 C ATOM 1305 CG HIS A 80 -4.622 -3.423 2.443 1.00 1.60 C ATOM 1306 ND1 HIS A 80 -3.767 -3.590 3.510 1.00 1.62 N ATOM 1307 CD2 HIS A 80 -4.661 -4.626 1.776 1.00 1.68 C ATOM 1308 CE1 HIS A 80 -3.305 -4.853 3.488 1.00 1.70 C ATOM 1309 NE2 HIS A 80 -3.820 -5.525 2.444 1.00 1.74 N ATOM 0 H HIS A 80 -3.463 -1.790 0.561 1.00 1.47 H new ATOM 0 HA HIS A 80 -6.166 -2.765 0.196 1.00 1.50 H new ATOM 0 HB2 HIS A 80 -4.838 -1.300 2.500 1.00 1.52 H new ATOM 0 HB3 HIS A 80 -6.353 -2.179 2.556 1.00 1.52 H new ATOM 0 HD2 HIS A 80 -5.240 -4.840 0.890 1.00 1.68 H new ATOM 0 HE1 HIS A 80 -2.616 -5.269 4.209 1.00 1.70 H new ATOM 0 HE2 HIS A 80 -3.635 -6.495 2.189 1.00 1.74 H new ATOM 1318 N TYR A 81 -5.654 0.521 0.381 1.00 1.35 N ATOM 1319 CA TYR A 81 -6.265 1.833 0.106 1.00 1.29 C ATOM 1320 C TYR A 81 -6.807 1.954 -1.325 1.00 1.32 C ATOM 1321 O TYR A 81 -7.895 2.500 -1.526 1.00 1.34 O ATOM 1322 CB TYR A 81 -5.232 2.935 0.400 1.00 1.21 C ATOM 1323 CG TYR A 81 -5.757 4.370 0.395 1.00 1.16 C ATOM 1324 CD1 TYR A 81 -6.085 5.011 -0.819 1.00 1.16 C ATOM 1325 CD2 TYR A 81 -5.864 5.087 1.604 1.00 1.14 C ATOM 1326 CE1 TYR A 81 -6.537 6.346 -0.822 1.00 1.14 C ATOM 1327 CE2 TYR A 81 -6.243 6.444 1.595 1.00 1.12 C ATOM 1328 CZ TYR A 81 -6.597 7.078 0.384 1.00 1.12 C ATOM 1329 OH TYR A 81 -7.025 8.370 0.397 1.00 1.11 O ATOM 0 H TYR A 81 -4.690 0.587 0.708 1.00 1.35 H new ATOM 0 HA TYR A 81 -7.130 1.946 0.760 1.00 1.29 H new ATOM 0 HB2 TYR A 81 -4.787 2.736 1.375 1.00 1.21 H new ATOM 0 HB3 TYR A 81 -4.432 2.860 -0.337 1.00 1.21 H new ATOM 0 HD1 TYR A 81 -5.989 4.475 -1.752 1.00 1.16 H new ATOM 0 HD2 TYR A 81 -5.654 4.594 2.542 1.00 1.14 H new ATOM 0 HE1 TYR A 81 -6.838 6.810 -1.749 1.00 1.14 H new ATOM 0 HE2 TYR A 81 -6.263 7.002 2.519 1.00 1.12 H new ATOM 0 HH TYR A 81 -7.523 8.558 -0.426 1.00 1.11 H new ATOM 1339 N GLU A 82 -6.112 1.385 -2.324 1.00 1.34 N ATOM 1340 CA GLU A 82 -6.495 1.479 -3.734 1.00 1.39 C ATOM 1341 C GLU A 82 -7.752 0.663 -4.072 1.00 1.50 C ATOM 1342 O GLU A 82 -8.259 0.752 -5.192 1.00 1.56 O ATOM 1343 CB GLU A 82 -5.315 1.169 -4.668 1.00 1.40 C ATOM 1344 CG GLU A 82 -4.954 -0.310 -4.766 1.00 1.46 C ATOM 1345 CD GLU A 82 -3.977 -0.566 -5.927 1.00 1.49 C ATOM 1346 OE1 GLU A 82 -4.433 -0.574 -7.098 1.00 1.56 O ATOM 1347 OE2 GLU A 82 -2.766 -0.784 -5.679 1.00 1.46 O ATOM 0 H GLU A 82 -5.262 0.843 -2.169 1.00 1.34 H new ATOM 0 HA GLU A 82 -6.771 2.519 -3.910 1.00 1.39 H new ATOM 0 HB2 GLU A 82 -5.552 1.539 -5.666 1.00 1.40 H new ATOM 0 HB3 GLU A 82 -4.441 1.721 -4.323 1.00 1.40 H new ATOM 0 HG2 GLU A 82 -4.505 -0.641 -3.829 1.00 1.46 H new ATOM 0 HG3 GLU A 82 -5.859 -0.900 -4.912 1.00 1.46 H new ATOM 1354 N ARG A 83 -8.265 -0.116 -3.101 1.00 1.53 N ATOM 1355 CA ARG A 83 -9.575 -0.772 -3.215 1.00 1.64 C ATOM 1356 C ARG A 83 -10.536 -0.454 -2.062 1.00 1.64 C ATOM 1357 O ARG A 83 -11.707 -0.820 -2.154 1.00 1.73 O ATOM 1358 CB ARG A 83 -9.402 -2.297 -3.361 1.00 1.73 C ATOM 1359 CG ARG A 83 -8.639 -2.753 -4.612 1.00 1.75 C ATOM 1360 CD ARG A 83 -9.359 -2.398 -5.924 1.00 1.81 C ATOM 1361 NE ARG A 83 -8.560 -2.815 -7.092 1.00 1.84 N ATOM 1362 CZ ARG A 83 -7.512 -2.181 -7.591 1.00 1.78 C ATOM 1363 NH1 ARG A 83 -7.175 -0.982 -7.219 1.00 1.68 N ATOM 1364 NH2 ARG A 83 -6.746 -2.751 -8.474 1.00 1.82 N ATOM 0 H ARG A 83 -7.784 -0.306 -2.222 1.00 1.53 H new ATOM 0 HA ARG A 83 -10.037 -0.362 -4.113 1.00 1.64 H new ATOM 0 HB2 ARG A 83 -8.881 -2.673 -2.480 1.00 1.73 H new ATOM 0 HB3 ARG A 83 -10.389 -2.759 -3.369 1.00 1.73 H new ATOM 0 HG2 ARG A 83 -7.650 -2.296 -4.613 1.00 1.75 H new ATOM 0 HG3 ARG A 83 -8.492 -3.832 -4.567 1.00 1.75 H new ATOM 0 HD2 ARG A 83 -10.334 -2.885 -5.952 1.00 1.81 H new ATOM 0 HD3 ARG A 83 -9.539 -1.324 -5.966 1.00 1.81 H new ATOM 0 HE ARG A 83 -8.843 -3.676 -7.560 1.00 1.84 H new ATOM 0 HH11 ARG A 83 -7.727 -0.492 -6.515 1.00 1.68 H new ATOM 0 HH12 ARG A 83 -6.358 -0.531 -7.631 1.00 1.68 H new ATOM 0 HH21 ARG A 83 -6.950 -3.699 -8.790 1.00 1.82 H new ATOM 0 HH22 ARG A 83 -5.941 -2.250 -8.850 1.00 1.82 H new ATOM 1378 N LEU A 84 -10.076 0.240 -1.016 1.00 1.56 N ATOM 1379 CA LEU A 84 -10.843 0.389 0.224 1.00 1.57 C ATOM 1380 C LEU A 84 -11.240 1.847 0.508 1.00 1.51 C ATOM 1381 O LEU A 84 -12.061 2.094 1.383 1.00 1.54 O ATOM 1382 CB LEU A 84 -9.976 -0.223 1.336 1.00 1.56 C ATOM 1383 CG LEU A 84 -10.634 -0.362 2.710 1.00 1.61 C ATOM 1384 CD1 LEU A 84 -11.869 -1.255 2.682 1.00 1.73 C ATOM 1385 CD2 LEU A 84 -9.635 -0.970 3.691 1.00 1.61 C ATOM 0 H LEU A 84 -9.171 0.710 -1.004 1.00 1.56 H new ATOM 0 HA LEU A 84 -11.800 -0.128 0.152 1.00 1.57 H new ATOM 0 HB2 LEU A 84 -9.650 -1.211 1.011 1.00 1.56 H new ATOM 0 HB3 LEU A 84 -9.080 0.388 1.446 1.00 1.56 H new ATOM 0 HG LEU A 84 -10.941 0.638 3.017 1.00 1.61 H new ATOM 0 HD11 LEU A 84 -12.295 -1.318 3.683 1.00 1.73 H new ATOM 0 HD12 LEU A 84 -12.607 -0.834 1.999 1.00 1.73 H new ATOM 0 HD13 LEU A 84 -11.589 -2.253 2.343 1.00 1.73 H new ATOM 0 HD21 LEU A 84 -10.102 -1.070 4.671 1.00 1.61 H new ATOM 0 HD22 LEU A 84 -9.327 -1.953 3.334 1.00 1.61 H new ATOM 0 HD23 LEU A 84 -8.762 -0.322 3.770 1.00 1.61 H new ATOM 1397 N ILE A 85 -10.691 2.809 -0.245 1.00 1.44 N ATOM 1398 CA ILE A 85 -11.194 4.196 -0.227 1.00 1.41 C ATOM 1399 C ILE A 85 -10.837 5.004 -1.473 1.00 1.39 C ATOM 1400 O ILE A 85 -11.587 5.916 -1.799 1.00 1.42 O ATOM 1401 CB ILE A 85 -10.807 4.933 1.068 1.00 1.35 C ATOM 1402 CG1 ILE A 85 -11.586 6.266 1.182 1.00 1.35 C ATOM 1403 CG2 ILE A 85 -9.296 5.153 1.178 1.00 1.26 C ATOM 1404 CD1 ILE A 85 -11.738 6.776 2.616 1.00 1.33 C ATOM 0 H ILE A 85 -9.902 2.657 -0.873 1.00 1.44 H new ATOM 0 HA ILE A 85 -12.280 4.107 -0.244 1.00 1.41 H new ATOM 0 HB ILE A 85 -11.088 4.298 1.908 1.00 1.35 H new ATOM 0 HG12 ILE A 85 -11.076 7.025 0.589 1.00 1.35 H new ATOM 0 HG13 ILE A 85 -12.577 6.135 0.747 1.00 1.35 H new ATOM 0 HG21 ILE A 85 -9.071 5.676 2.107 1.00 1.26 H new ATOM 0 HG22 ILE A 85 -8.787 4.189 1.172 1.00 1.26 H new ATOM 0 HG23 ILE A 85 -8.953 5.750 0.333 1.00 1.26 H new ATOM 0 HD11 ILE A 85 -12.295 7.713 2.612 1.00 1.33 H new ATOM 0 HD12 ILE A 85 -12.276 6.037 3.210 1.00 1.33 H new ATOM 0 HD13 ILE A 85 -10.752 6.942 3.050 1.00 1.33 H new ATOM 1416 N LEU A 86 -9.806 4.644 -2.246 1.00 1.37 N ATOM 1417 CA LEU A 86 -9.586 5.219 -3.579 1.00 1.39 C ATOM 1418 C LEU A 86 -10.860 5.214 -4.469 1.00 1.49 C ATOM 1419 O LEU A 86 -11.122 6.238 -5.109 1.00 1.52 O ATOM 1420 CB LEU A 86 -8.400 4.497 -4.236 1.00 1.37 C ATOM 1421 CG LEU A 86 -8.001 4.987 -5.640 1.00 1.41 C ATOM 1422 CD1 LEU A 86 -7.650 6.478 -5.666 1.00 1.37 C ATOM 1423 CD2 LEU A 86 -6.793 4.208 -6.149 1.00 1.40 C ATOM 0 H LEU A 86 -9.108 3.954 -1.970 1.00 1.37 H new ATOM 0 HA LEU A 86 -9.345 6.276 -3.466 1.00 1.39 H new ATOM 0 HB2 LEU A 86 -7.534 4.593 -3.581 1.00 1.37 H new ATOM 0 HB3 LEU A 86 -8.637 3.435 -4.298 1.00 1.37 H new ATOM 0 HG LEU A 86 -8.869 4.823 -6.279 1.00 1.41 H new ATOM 0 HD11 LEU A 86 -7.376 6.770 -6.680 1.00 1.37 H new ATOM 0 HD12 LEU A 86 -8.512 7.060 -5.341 1.00 1.37 H new ATOM 0 HD13 LEU A 86 -6.812 6.666 -4.995 1.00 1.37 H new ATOM 0 HD21 LEU A 86 -6.522 4.565 -7.143 1.00 1.40 H new ATOM 0 HD22 LEU A 86 -5.953 4.354 -5.470 1.00 1.40 H new ATOM 0 HD23 LEU A 86 -7.039 3.147 -6.199 1.00 1.40 H new ATOM 1435 N PRO A 87 -11.707 4.155 -4.486 1.00 1.58 N ATOM 1436 CA PRO A 87 -12.995 4.197 -5.190 1.00 1.69 C ATOM 1437 C PRO A 87 -14.095 5.038 -4.507 1.00 1.71 C ATOM 1438 O PRO A 87 -15.073 5.368 -5.184 1.00 1.80 O ATOM 1439 CB PRO A 87 -13.432 2.735 -5.341 1.00 1.78 C ATOM 1440 CG PRO A 87 -12.772 2.040 -4.156 1.00 1.71 C ATOM 1441 CD PRO A 87 -11.448 2.786 -4.036 1.00 1.59 C ATOM 0 HA PRO A 87 -12.855 4.704 -6.145 1.00 1.69 H new ATOM 0 HB2 PRO A 87 -14.517 2.636 -5.311 1.00 1.78 H new ATOM 0 HB3 PRO A 87 -13.100 2.313 -6.289 1.00 1.78 H new ATOM 0 HG2 PRO A 87 -13.371 2.126 -3.249 1.00 1.71 H new ATOM 0 HG3 PRO A 87 -12.624 0.976 -4.340 1.00 1.71 H new ATOM 0 HD2 PRO A 87 -11.088 2.776 -3.007 1.00 1.59 H new ATOM 0 HD3 PRO A 87 -10.679 2.314 -4.648 1.00 1.59 H new ATOM 1449 N TYR A 88 -13.973 5.406 -3.219 1.00 1.63 N ATOM 1450 CA TYR A 88 -15.023 6.154 -2.500 1.00 1.66 C ATOM 1451 C TYR A 88 -14.676 7.628 -2.223 1.00 1.59 C ATOM 1452 O TYR A 88 -15.570 8.467 -2.297 1.00 1.64 O ATOM 1453 CB TYR A 88 -15.490 5.378 -1.251 1.00 1.68 C ATOM 1454 CG TYR A 88 -16.840 4.681 -1.408 1.00 1.80 C ATOM 1455 CD1 TYR A 88 -17.184 4.010 -2.603 1.00 1.89 C ATOM 1456 CD2 TYR A 88 -17.767 4.706 -0.346 1.00 1.84 C ATOM 1457 CE1 TYR A 88 -18.436 3.380 -2.734 1.00 2.01 C ATOM 1458 CE2 TYR A 88 -19.025 4.085 -0.475 1.00 1.97 C ATOM 1459 CZ TYR A 88 -19.362 3.415 -1.671 1.00 2.05 C ATOM 1460 OH TYR A 88 -20.572 2.803 -1.805 1.00 2.17 O ATOM 0 H TYR A 88 -13.152 5.196 -2.651 1.00 1.63 H new ATOM 0 HA TYR A 88 -15.876 6.224 -3.176 1.00 1.66 H new ATOM 0 HB2 TYR A 88 -14.737 4.631 -1.000 1.00 1.68 H new ATOM 0 HB3 TYR A 88 -15.547 6.069 -0.410 1.00 1.68 H new ATOM 0 HD1 TYR A 88 -16.481 3.980 -3.422 1.00 1.89 H new ATOM 0 HD2 TYR A 88 -17.510 5.206 0.576 1.00 1.84 H new ATOM 0 HE1 TYR A 88 -18.688 2.868 -3.651 1.00 2.01 H new ATOM 0 HE2 TYR A 88 -19.732 4.122 0.341 1.00 1.97 H new ATOM 0 HH TYR A 88 -21.091 2.920 -0.982 1.00 2.17 H new ATOM 1470 N GLU A 89 -13.403 8.019 -2.065 1.00 1.50 N ATOM 1471 CA GLU A 89 -13.014 9.449 -2.067 1.00 1.46 C ATOM 1472 C GLU A 89 -13.429 10.164 -3.377 1.00 1.53 C ATOM 1473 O GLU A 89 -13.522 11.389 -3.425 1.00 1.55 O ATOM 1474 CB GLU A 89 -11.513 9.653 -1.765 1.00 1.36 C ATOM 1475 CG GLU A 89 -10.551 9.184 -2.870 1.00 1.35 C ATOM 1476 CD GLU A 89 -9.117 9.703 -2.637 1.00 1.27 C ATOM 1477 OE1 GLU A 89 -8.389 9.146 -1.781 1.00 1.21 O ATOM 1478 OE2 GLU A 89 -8.708 10.672 -3.328 1.00 1.29 O ATOM 0 H GLU A 89 -12.624 7.374 -1.934 1.00 1.50 H new ATOM 0 HA GLU A 89 -13.568 9.915 -1.252 1.00 1.46 H new ATOM 0 HB2 GLU A 89 -11.337 10.713 -1.579 1.00 1.36 H new ATOM 0 HB3 GLU A 89 -11.269 9.123 -0.844 1.00 1.36 H new ATOM 0 HG2 GLU A 89 -10.542 8.095 -2.906 1.00 1.35 H new ATOM 0 HG3 GLU A 89 -10.911 9.532 -3.838 1.00 1.35 H new ATOM 1485 N ARG A 90 -13.771 9.363 -4.399 1.00 1.61 N ATOM 1486 CA ARG A 90 -14.399 9.860 -5.630 1.00 1.71 C ATOM 1487 C ARG A 90 -15.643 10.735 -5.388 1.00 1.78 C ATOM 1488 O ARG A 90 -15.821 11.710 -6.117 1.00 1.83 O ATOM 1489 CB ARG A 90 -14.699 8.650 -6.535 1.00 1.78 C ATOM 1490 CG ARG A 90 -15.076 9.050 -7.967 1.00 1.89 C ATOM 1491 CD ARG A 90 -15.198 7.809 -8.858 1.00 1.97 C ATOM 1492 NE ARG A 90 -15.517 8.172 -10.252 1.00 2.08 N ATOM 1493 CZ ARG A 90 -15.496 7.370 -11.302 1.00 2.16 C ATOM 1494 NH1 ARG A 90 -15.192 6.105 -11.207 1.00 2.15 N ATOM 1495 NH2 ARG A 90 -15.785 7.829 -12.487 1.00 2.25 N ATOM 0 H ARG A 90 -13.619 8.354 -4.394 1.00 1.61 H new ATOM 0 HA ARG A 90 -13.701 10.535 -6.125 1.00 1.71 H new ATOM 0 HB2 ARG A 90 -13.825 8.000 -6.564 1.00 1.78 H new ATOM 0 HB3 ARG A 90 -15.513 8.071 -6.099 1.00 1.78 H new ATOM 0 HG2 ARG A 90 -16.020 9.595 -7.962 1.00 1.89 H new ATOM 0 HG3 ARG A 90 -14.321 9.723 -8.373 1.00 1.89 H new ATOM 0 HD2 ARG A 90 -14.264 7.248 -8.832 1.00 1.97 H new ATOM 0 HD3 ARG A 90 -15.975 7.153 -8.465 1.00 1.97 H new ATOM 0 HE ARG A 90 -15.781 9.142 -10.423 1.00 2.08 H new ATOM 0 HH11 ARG A 90 -14.960 5.703 -10.299 1.00 2.15 H new ATOM 0 HH12 ARG A 90 -15.187 5.518 -12.041 1.00 2.15 H new ATOM 0 HH21 ARG A 90 -16.029 8.812 -12.608 1.00 2.25 H new ATOM 0 HH22 ARG A 90 -15.767 7.205 -13.294 1.00 2.25 H new ATOM 1509 N PHE A 91 -16.463 10.473 -4.357 1.00 1.78 N ATOM 1510 CA PHE A 91 -17.565 11.391 -3.995 1.00 1.84 C ATOM 1511 C PHE A 91 -17.078 12.666 -3.275 1.00 1.78 C ATOM 1512 O PHE A 91 -17.688 13.724 -3.428 1.00 1.84 O ATOM 1513 CB PHE A 91 -18.693 10.681 -3.215 1.00 1.89 C ATOM 1514 CG PHE A 91 -18.407 10.238 -1.785 1.00 1.82 C ATOM 1515 CD1 PHE A 91 -18.302 11.181 -0.740 1.00 1.77 C ATOM 1516 CD2 PHE A 91 -18.297 8.867 -1.481 1.00 1.81 C ATOM 1517 CE1 PHE A 91 -17.989 10.761 0.566 1.00 1.71 C ATOM 1518 CE2 PHE A 91 -17.974 8.451 -0.179 1.00 1.76 C ATOM 1519 CZ PHE A 91 -17.789 9.399 0.835 1.00 1.70 C ATOM 0 H PHE A 91 -16.389 9.646 -3.764 1.00 1.78 H new ATOM 0 HA PHE A 91 -17.994 11.722 -4.941 1.00 1.84 H new ATOM 0 HB2 PHE A 91 -19.554 11.349 -3.191 1.00 1.89 H new ATOM 0 HB3 PHE A 91 -18.989 9.800 -3.784 1.00 1.89 H new ATOM 0 HD1 PHE A 91 -18.463 12.229 -0.944 1.00 1.77 H new ATOM 0 HD2 PHE A 91 -18.462 8.131 -2.254 1.00 1.81 H new ATOM 0 HE1 PHE A 91 -17.903 11.487 1.361 1.00 1.71 H new ATOM 0 HE2 PHE A 91 -17.868 7.399 0.040 1.00 1.76 H new ATOM 0 HZ PHE A 91 -17.492 9.082 1.824 1.00 1.70 H new ATOM 1529 N ILE A 92 -15.954 12.599 -2.549 1.00 1.67 N ATOM 1530 CA ILE A 92 -15.401 13.772 -1.841 1.00 1.62 C ATOM 1531 C ILE A 92 -14.747 14.725 -2.850 1.00 1.64 C ATOM 1532 O ILE A 92 -14.932 15.939 -2.797 1.00 1.69 O ATOM 1533 CB ILE A 92 -14.375 13.329 -0.761 1.00 1.52 C ATOM 1534 CG1 ILE A 92 -14.987 12.284 0.203 1.00 1.51 C ATOM 1535 CG2 ILE A 92 -13.865 14.551 0.027 1.00 1.49 C ATOM 1536 CD1 ILE A 92 -14.011 11.697 1.230 1.00 1.43 C ATOM 0 H ILE A 92 -15.406 11.746 -2.434 1.00 1.67 H new ATOM 0 HA ILE A 92 -16.214 14.295 -1.337 1.00 1.62 H new ATOM 0 HB ILE A 92 -13.533 12.861 -1.271 1.00 1.52 H new ATOM 0 HG12 ILE A 92 -15.817 12.747 0.737 1.00 1.51 H new ATOM 0 HG13 ILE A 92 -15.403 11.468 -0.387 1.00 1.51 H new ATOM 0 HG21 ILE A 92 -13.147 14.225 0.780 1.00 1.49 H new ATOM 0 HG22 ILE A 92 -13.382 15.249 -0.657 1.00 1.49 H new ATOM 0 HG23 ILE A 92 -14.705 15.045 0.516 1.00 1.49 H new ATOM 0 HD11 ILE A 92 -14.534 10.976 1.858 1.00 1.43 H new ATOM 0 HD12 ILE A 92 -13.192 11.199 0.711 1.00 1.43 H new ATOM 0 HD13 ILE A 92 -13.612 12.498 1.852 1.00 1.43 H new ATOM 1548 N LYS A 93 -14.030 14.150 -3.816 1.00 1.63 N ATOM 1549 CA LYS A 93 -13.215 14.909 -4.775 1.00 1.66 C ATOM 1550 C LYS A 93 -13.963 15.245 -6.074 1.00 1.78 C ATOM 1551 O LYS A 93 -13.440 15.966 -6.924 1.00 1.82 O ATOM 1552 CB LYS A 93 -11.957 14.061 -5.009 1.00 1.58 C ATOM 1553 CG LYS A 93 -10.765 14.854 -5.556 1.00 1.58 C ATOM 1554 CD LYS A 93 -9.460 14.087 -5.313 1.00 1.49 C ATOM 1555 CE LYS A 93 -9.416 12.757 -6.076 1.00 1.50 C ATOM 1556 NZ LYS A 93 -8.202 11.989 -5.723 1.00 1.41 N ATOM 0 H LYS A 93 -13.996 13.141 -3.959 1.00 1.63 H new ATOM 0 HA LYS A 93 -12.959 15.890 -4.376 1.00 1.66 H new ATOM 0 HB2 LYS A 93 -11.668 13.591 -4.069 1.00 1.58 H new ATOM 0 HB3 LYS A 93 -12.197 13.258 -5.706 1.00 1.58 H new ATOM 0 HG2 LYS A 93 -10.897 15.032 -6.623 1.00 1.58 H new ATOM 0 HG3 LYS A 93 -10.716 15.830 -5.073 1.00 1.58 H new ATOM 0 HD2 LYS A 93 -8.616 14.706 -5.617 1.00 1.49 H new ATOM 0 HD3 LYS A 93 -9.347 13.895 -4.246 1.00 1.49 H new ATOM 0 HE2 LYS A 93 -10.304 12.169 -5.843 1.00 1.50 H new ATOM 0 HE3 LYS A 93 -9.432 12.947 -7.149 1.00 1.50 H new ATOM 0 HZ1 LYS A 93 -8.028 11.262 -6.447 1.00 1.41 H new ATOM 0 HZ2 LYS A 93 -7.386 12.632 -5.675 1.00 1.41 H new ATOM 0 HZ3 LYS A 93 -8.337 11.532 -4.799 1.00 1.41 H new ATOM 1570 N GLY A 94 -15.198 14.749 -6.194 1.00 1.84 N ATOM 1571 CA GLY A 94 -16.051 14.991 -7.361 1.00 1.97 C ATOM 1572 C GLY A 94 -17.374 15.693 -7.032 1.00 2.05 C ATOM 1573 O GLY A 94 -17.979 16.268 -7.936 1.00 2.15 O ATOM 0 H GLY A 94 -15.636 14.166 -5.481 1.00 1.84 H new ATOM 0 HA2 GLY A 94 -15.500 15.596 -8.082 1.00 1.97 H new ATOM 0 HA3 GLY A 94 -16.267 14.038 -7.844 1.00 1.97 H new ATOM 1577 N GLU A 95 -17.816 15.695 -5.763 1.00 2.00 N ATOM 1578 CA GLU A 95 -19.114 16.265 -5.346 1.00 2.08 C ATOM 1579 C GLU A 95 -19.080 16.991 -3.980 1.00 2.02 C ATOM 1580 O GLU A 95 -20.114 17.173 -3.332 1.00 2.07 O ATOM 1581 CB GLU A 95 -20.221 15.185 -5.377 1.00 2.13 C ATOM 1582 CG GLU A 95 -20.439 14.524 -6.745 1.00 2.21 C ATOM 1583 CD GLU A 95 -21.654 13.580 -6.715 1.00 2.29 C ATOM 1584 OE1 GLU A 95 -22.793 14.033 -6.990 1.00 2.40 O ATOM 1585 OE2 GLU A 95 -21.482 12.368 -6.430 1.00 2.26 O ATOM 0 H GLU A 95 -17.281 15.299 -4.990 1.00 2.00 H new ATOM 0 HA GLU A 95 -19.347 17.039 -6.077 1.00 2.08 H new ATOM 0 HB2 GLU A 95 -19.974 14.411 -4.651 1.00 2.13 H new ATOM 0 HB3 GLU A 95 -21.159 15.637 -5.054 1.00 2.13 H new ATOM 0 HG2 GLU A 95 -20.589 15.292 -7.504 1.00 2.21 H new ATOM 0 HG3 GLU A 95 -19.547 13.965 -7.029 1.00 2.21 H new ATOM 1592 N GLU A 96 -17.900 17.447 -3.542 1.00 1.94 N ATOM 1593 CA GLU A 96 -17.741 18.263 -2.323 1.00 1.90 C ATOM 1594 C GLU A 96 -16.531 19.223 -2.344 1.00 1.87 C ATOM 1595 O GLU A 96 -16.680 20.401 -2.016 1.00 1.92 O ATOM 1596 CB GLU A 96 -17.687 17.346 -1.081 1.00 1.82 C ATOM 1597 CG GLU A 96 -17.812 18.135 0.228 1.00 1.81 C ATOM 1598 CD GLU A 96 -17.913 17.191 1.441 1.00 1.76 C ATOM 1599 OE1 GLU A 96 -19.046 16.799 1.818 1.00 1.81 O ATOM 1600 OE2 GLU A 96 -16.865 16.851 2.042 1.00 1.68 O ATOM 0 H GLU A 96 -17.020 17.261 -4.024 1.00 1.94 H new ATOM 0 HA GLU A 96 -18.617 18.910 -2.279 1.00 1.90 H new ATOM 0 HB2 GLU A 96 -18.490 16.612 -1.139 1.00 1.82 H new ATOM 0 HB3 GLU A 96 -16.748 16.792 -1.081 1.00 1.82 H new ATOM 0 HG2 GLU A 96 -16.948 18.790 0.345 1.00 1.81 H new ATOM 0 HG3 GLU A 96 -18.694 18.774 0.187 1.00 1.81 H new ATOM 1607 N ASP A 97 -15.354 18.712 -2.666 1.00 1.80 N ATOM 1608 CA ASP A 97 -14.158 19.542 -2.699 1.00 1.78 C ATOM 1609 C ASP A 97 -13.255 19.140 -3.850 1.00 1.87 C ATOM 1610 O ASP A 97 -13.124 17.960 -4.167 1.00 2.33 O ATOM 1611 CB ASP A 97 -13.398 19.431 -1.377 1.00 1.78 C ATOM 1612 CG ASP A 97 -12.353 20.520 -1.219 1.00 2.14 C ATOM 1613 OD1 ASP A 97 -12.739 21.690 -1.012 1.00 2.70 O ATOM 1614 OD2 ASP A 97 -11.148 20.201 -1.304 1.00 2.20 O ATOM 0 H ASP A 97 -15.200 17.733 -2.907 1.00 1.80 H new ATOM 0 HA ASP A 97 -14.467 20.577 -2.846 1.00 1.78 H new ATOM 0 HB2 ASP A 97 -14.105 19.486 -0.549 1.00 1.78 H new ATOM 0 HB3 ASP A 97 -12.915 18.456 -1.319 1.00 1.78 H new