USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 593 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 34 TYR OH : rot -163:sc= 1.23 USER MOD Set 1.2: A 36 SER OG : rot 180:sc= 1.03 USER MOD Set 2.1: A 29 HIS : no HE2:sc= -0.497 K(o=0.64,f=-1.1!) USER MOD Set 2.2: A 61 THR OG1 : rot 75:sc= 1.13 USER MOD Set 3.1: A 15 CYS SG : rot 180:sc= 0.172 USER MOD Set 3.2: A 17 SER OG : rot -90:sc= 0.843 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -128:sc= 0.325 (180deg=-0.144) USER MOD Single : A 13 MET CE :methyl -172:sc= -0.0249 (180deg=-0.325) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 HIS :FLIP no HD1:sc= -0.0909 F(o=-0.99,f=-0.091) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 63:sc= 1.2 USER MOD Single : A 25 SER OG : rot 160:sc= 0 USER MOD Single : A 27 THR OG1 : rot 78:sc= 1.22 USER MOD Single : A 28 LYS NZ :NH3+ -156:sc= 1.31 (180deg=1.12) USER MOD Single : A 35 CYS SG : rot 120:sc= -0.0971 USER MOD Single : A 41 THR OG1 : rot -32:sc= 0.9 USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ -172:sc= 0.638 (180deg=0.419) USER MOD Single : A 45 HIS : no HE2:sc= -1.46 K(o=-1.5,f=-6.6!) USER MOD Single : A 47 LYS NZ :NH3+ 155:sc= 1.8 (180deg=0.297!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= -0.0776 K(o=-0.078,f=-0.58) USER MOD Single : A 64 SER OG : rot -24:sc= 0.6 USER MOD Single : A 70 SER OG : rot 33:sc= 1.01 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.159 8.851 -20.899 1.00 7.94 N ATOM 2 CA MET A 1 8.344 8.159 -19.614 1.00 6.27 C ATOM 3 C MET A 1 7.184 7.177 -19.493 1.00 5.26 C ATOM 4 O MET A 1 6.549 6.932 -20.517 1.00 5.97 O ATOM 5 CB MET A 1 8.428 9.151 -18.444 1.00 6.30 C ATOM 6 CG MET A 1 9.626 10.103 -18.563 1.00 7.81 C ATOM 7 SD MET A 1 9.818 11.210 -17.143 1.00 9.11 S ATOM 8 CE MET A 1 11.299 12.115 -17.642 1.00 10.16 C ATOM 0 H1 MET A 1 9.037 8.795 -21.453 1.00 7.94 H new ATOM 0 H2 MET A 1 7.386 8.399 -21.428 1.00 7.94 H new ATOM 0 H3 MET A 1 7.923 9.849 -20.725 1.00 7.94 H new ATOM 0 HA MET A 1 9.291 7.621 -19.577 1.00 6.27 H new ATOM 0 HB2 MET A 1 7.508 9.734 -18.400 1.00 6.30 H new ATOM 0 HB3 MET A 1 8.500 8.598 -17.508 1.00 6.30 H new ATOM 0 HG2 MET A 1 10.536 9.515 -18.680 1.00 7.81 H new ATOM 0 HG3 MET A 1 9.515 10.702 -19.467 1.00 7.81 H new ATOM 0 HE1 MET A 1 11.557 12.843 -16.873 1.00 10.16 H new ATOM 0 HE2 MET A 1 12.126 11.417 -17.772 1.00 10.16 H new ATOM 0 HE3 MET A 1 11.110 12.632 -18.583 1.00 10.16 H new ATOM 20 N GLY A 2 6.907 6.640 -18.306 1.00 4.43 N ATOM 21 CA GLY A 2 5.795 5.743 -18.058 1.00 4.12 C ATOM 22 C GLY A 2 5.593 5.660 -16.550 1.00 3.45 C ATOM 23 O GLY A 2 6.409 6.200 -15.800 1.00 3.70 O ATOM 0 H GLY A 2 7.467 6.825 -17.474 1.00 4.43 H new ATOM 0 HA2 GLY A 2 4.892 6.110 -18.545 1.00 4.12 H new ATOM 0 HA3 GLY A 2 6.001 4.756 -18.471 1.00 4.12 H new ATOM 27 N ASP A 3 4.502 5.026 -16.124 1.00 3.15 N ATOM 28 CA ASP A 3 4.070 4.944 -14.740 1.00 2.67 C ATOM 29 C ASP A 3 5.144 4.369 -13.818 1.00 1.96 C ATOM 30 O ASP A 3 6.013 3.612 -14.249 1.00 2.67 O ATOM 31 CB ASP A 3 2.873 3.988 -14.604 1.00 3.32 C ATOM 32 CG ASP A 3 1.783 4.018 -15.663 1.00 4.28 C ATOM 33 OD1 ASP A 3 2.021 4.540 -16.774 1.00 5.27 O ATOM 34 OD2 ASP A 3 0.751 3.395 -15.328 1.00 4.66 O ATOM 0 H ASP A 3 3.874 4.538 -16.763 1.00 3.15 H new ATOM 0 HA ASP A 3 3.828 5.968 -14.456 1.00 2.67 H new ATOM 0 HB2 ASP A 3 3.266 2.972 -14.565 1.00 3.32 H new ATOM 0 HB3 ASP A 3 2.402 4.185 -13.641 1.00 3.32 H new ATOM 39 N GLY A 4 4.960 4.590 -12.514 1.00 1.27 N ATOM 40 CA GLY A 4 5.485 3.693 -11.500 1.00 1.21 C ATOM 41 C GLY A 4 4.472 2.587 -11.190 1.00 1.24 C ATOM 42 O GLY A 4 3.319 2.609 -11.642 1.00 2.14 O ATOM 0 H GLY A 4 4.447 5.389 -12.141 1.00 1.27 H new ATOM 0 HA2 GLY A 4 6.420 3.252 -11.844 1.00 1.21 H new ATOM 0 HA3 GLY A 4 5.711 4.252 -10.592 1.00 1.21 H new ATOM 46 N VAL A 5 4.909 1.607 -10.397 1.00 1.07 N ATOM 47 CA VAL A 5 4.055 0.665 -9.695 1.00 1.06 C ATOM 48 C VAL A 5 4.844 0.150 -8.492 1.00 1.14 C ATOM 49 O VAL A 5 6.012 -0.206 -8.631 1.00 1.36 O ATOM 50 CB VAL A 5 3.557 -0.459 -10.626 1.00 1.10 C ATOM 51 CG1 VAL A 5 4.691 -1.264 -11.277 1.00 2.18 C ATOM 52 CG2 VAL A 5 2.618 -1.411 -9.872 1.00 1.83 C ATOM 0 H VAL A 5 5.902 1.447 -10.224 1.00 1.07 H new ATOM 0 HA VAL A 5 3.144 1.151 -9.346 1.00 1.06 H new ATOM 0 HB VAL A 5 3.017 0.040 -11.431 1.00 1.10 H new ATOM 0 HG11 VAL A 5 4.267 -2.037 -11.918 1.00 2.18 H new ATOM 0 HG12 VAL A 5 5.313 -0.598 -11.875 1.00 2.18 H new ATOM 0 HG13 VAL A 5 5.299 -1.729 -10.501 1.00 2.18 H new ATOM 0 HG21 VAL A 5 2.278 -2.197 -10.547 1.00 1.83 H new ATOM 0 HG22 VAL A 5 3.151 -1.859 -9.033 1.00 1.83 H new ATOM 0 HG23 VAL A 5 1.758 -0.855 -9.500 1.00 1.83 H new ATOM 62 N LEU A 6 4.221 0.147 -7.315 1.00 1.14 N ATOM 63 CA LEU A 6 4.711 -0.497 -6.112 1.00 1.14 C ATOM 64 C LEU A 6 3.602 -1.470 -5.745 1.00 0.96 C ATOM 65 O LEU A 6 2.446 -1.074 -5.635 1.00 0.98 O ATOM 66 CB LEU A 6 4.909 0.564 -5.018 1.00 1.21 C ATOM 67 CG LEU A 6 5.799 0.155 -3.837 1.00 1.51 C ATOM 68 CD1 LEU A 6 5.637 1.201 -2.727 1.00 3.36 C ATOM 69 CD2 LEU A 6 5.470 -1.227 -3.275 1.00 2.27 C ATOM 0 H LEU A 6 3.325 0.614 -7.175 1.00 1.14 H new ATOM 0 HA LEU A 6 5.669 -1.002 -6.238 1.00 1.14 H new ATOM 0 HB2 LEU A 6 5.336 1.455 -5.477 1.00 1.21 H new ATOM 0 HB3 LEU A 6 3.930 0.844 -4.629 1.00 1.21 H new ATOM 0 HG LEU A 6 6.824 0.105 -4.203 1.00 1.51 H new ATOM 0 HD11 LEU A 6 6.262 0.929 -1.877 1.00 3.36 H new ATOM 0 HD12 LEU A 6 5.939 2.179 -3.102 1.00 3.36 H new ATOM 0 HD13 LEU A 6 4.594 1.240 -2.413 1.00 3.36 H new ATOM 0 HD21 LEU A 6 6.138 -1.450 -2.443 1.00 2.27 H new ATOM 0 HD22 LEU A 6 4.438 -1.241 -2.925 1.00 2.27 H new ATOM 0 HD23 LEU A 6 5.599 -1.977 -4.055 1.00 2.27 H new ATOM 81 N GLU A 7 3.932 -2.747 -5.609 1.00 1.12 N ATOM 82 CA GLU A 7 2.969 -3.769 -5.282 1.00 0.95 C ATOM 83 C GLU A 7 3.552 -4.537 -4.113 1.00 0.71 C ATOM 84 O GLU A 7 4.726 -4.904 -4.158 1.00 0.93 O ATOM 85 CB GLU A 7 2.717 -4.587 -6.546 1.00 1.29 C ATOM 86 CG GLU A 7 1.376 -5.312 -6.445 1.00 0.96 C ATOM 87 CD GLU A 7 0.710 -5.533 -7.799 1.00 0.97 C ATOM 88 OE1 GLU A 7 1.271 -5.099 -8.825 1.00 2.46 O ATOM 89 OE2 GLU A 7 -0.413 -6.087 -7.796 1.00 1.82 O ATOM 0 H GLU A 7 4.883 -3.097 -5.725 1.00 1.12 H new ATOM 0 HA GLU A 7 1.991 -3.401 -4.970 1.00 0.95 H new ATOM 0 HB2 GLU A 7 2.721 -3.933 -7.418 1.00 1.29 H new ATOM 0 HB3 GLU A 7 3.520 -5.310 -6.686 1.00 1.29 H new ATOM 0 HG2 GLU A 7 1.527 -6.276 -5.960 1.00 0.96 H new ATOM 0 HG3 GLU A 7 0.706 -4.736 -5.807 1.00 0.96 H new ATOM 96 N LEU A 8 2.790 -4.678 -3.028 1.00 0.50 N ATOM 97 CA LEU A 8 3.299 -5.243 -1.789 1.00 0.55 C ATOM 98 C LEU A 8 2.249 -6.135 -1.146 1.00 0.47 C ATOM 99 O LEU A 8 1.060 -5.838 -1.242 1.00 0.47 O ATOM 100 CB LEU A 8 3.836 -4.128 -0.868 1.00 0.77 C ATOM 101 CG LEU A 8 2.854 -3.008 -0.477 1.00 0.79 C ATOM 102 CD1 LEU A 8 1.977 -3.405 0.713 1.00 1.94 C ATOM 103 CD2 LEU A 8 3.637 -1.764 -0.044 1.00 1.72 C ATOM 0 H LEU A 8 1.808 -4.404 -2.988 1.00 0.50 H new ATOM 0 HA LEU A 8 4.152 -5.889 -1.996 1.00 0.55 H new ATOM 0 HB2 LEU A 8 4.202 -4.592 0.048 1.00 0.77 H new ATOM 0 HB3 LEU A 8 4.695 -3.669 -1.358 1.00 0.77 H new ATOM 0 HG LEU A 8 2.230 -2.819 -1.351 1.00 0.79 H new ATOM 0 HD11 LEU A 8 1.300 -2.586 0.955 1.00 1.94 H new ATOM 0 HD12 LEU A 8 1.397 -4.292 0.458 1.00 1.94 H new ATOM 0 HD13 LEU A 8 2.609 -3.620 1.575 1.00 1.94 H new ATOM 0 HD21 LEU A 8 2.940 -0.973 0.232 1.00 1.72 H new ATOM 0 HD22 LEU A 8 4.265 -2.009 0.812 1.00 1.72 H new ATOM 0 HD23 LEU A 8 4.264 -1.424 -0.868 1.00 1.72 H new ATOM 115 N VAL A 9 2.684 -7.220 -0.501 1.00 0.51 N ATOM 116 CA VAL A 9 1.839 -8.020 0.366 1.00 0.53 C ATOM 117 C VAL A 9 1.733 -7.281 1.703 1.00 0.55 C ATOM 118 O VAL A 9 2.719 -6.699 2.160 1.00 0.69 O ATOM 119 CB VAL A 9 2.349 -9.474 0.473 1.00 0.62 C ATOM 120 CG1 VAL A 9 3.692 -9.608 1.192 1.00 1.79 C ATOM 121 CG2 VAL A 9 1.328 -10.389 1.160 1.00 1.77 C ATOM 0 H VAL A 9 3.641 -7.564 -0.571 1.00 0.51 H new ATOM 0 HA VAL A 9 0.835 -8.130 -0.045 1.00 0.53 H new ATOM 0 HB VAL A 9 2.492 -9.787 -0.561 1.00 0.62 H new ATOM 0 HG11 VAL A 9 3.983 -10.658 1.227 1.00 1.79 H new ATOM 0 HG12 VAL A 9 4.451 -9.039 0.655 1.00 1.79 H new ATOM 0 HG13 VAL A 9 3.601 -9.223 2.208 1.00 1.79 H new ATOM 0 HG21 VAL A 9 1.726 -11.402 1.215 1.00 1.77 H new ATOM 0 HG22 VAL A 9 1.130 -10.022 2.167 1.00 1.77 H new ATOM 0 HG23 VAL A 9 0.401 -10.394 0.587 1.00 1.77 H new ATOM 131 N VAL A 10 0.531 -7.269 2.287 1.00 0.53 N ATOM 132 CA VAL A 10 0.192 -6.620 3.546 1.00 0.55 C ATOM 133 C VAL A 10 -0.382 -7.679 4.484 1.00 0.61 C ATOM 134 O VAL A 10 -1.552 -8.052 4.392 1.00 1.20 O ATOM 135 CB VAL A 10 -0.786 -5.440 3.345 1.00 0.63 C ATOM 136 CG1 VAL A 10 -0.066 -4.123 3.634 1.00 1.95 C ATOM 137 CG2 VAL A 10 -1.432 -5.380 1.955 1.00 1.71 C ATOM 0 H VAL A 10 -0.271 -7.739 1.867 1.00 0.53 H new ATOM 0 HA VAL A 10 1.090 -6.185 3.986 1.00 0.55 H new ATOM 0 HB VAL A 10 -1.603 -5.604 4.048 1.00 0.63 H new ATOM 0 HG11 VAL A 10 -0.757 -3.292 3.492 1.00 1.95 H new ATOM 0 HG12 VAL A 10 0.294 -4.123 4.663 1.00 1.95 H new ATOM 0 HG13 VAL A 10 0.779 -4.013 2.954 1.00 1.95 H new ATOM 0 HG21 VAL A 10 -2.103 -4.522 1.902 1.00 1.71 H new ATOM 0 HG22 VAL A 10 -0.655 -5.281 1.197 1.00 1.71 H new ATOM 0 HG23 VAL A 10 -1.998 -6.294 1.777 1.00 1.71 H new ATOM 147 N ARG A 11 0.459 -8.171 5.389 1.00 0.49 N ATOM 148 CA ARG A 11 0.089 -9.112 6.425 1.00 0.59 C ATOM 149 C ARG A 11 -0.468 -8.318 7.611 1.00 0.56 C ATOM 150 O ARG A 11 0.033 -7.237 7.926 1.00 0.78 O ATOM 151 CB ARG A 11 1.334 -9.916 6.818 1.00 0.84 C ATOM 152 CG ARG A 11 1.861 -10.776 5.660 1.00 1.39 C ATOM 153 CD ARG A 11 3.294 -11.221 5.967 1.00 1.68 C ATOM 154 NE ARG A 11 3.807 -12.140 4.941 1.00 3.16 N ATOM 155 CZ ARG A 11 5.065 -12.610 4.895 1.00 4.05 C ATOM 156 NH1 ARG A 11 5.961 -12.256 5.820 1.00 4.05 N ATOM 157 NH2 ARG A 11 5.425 -13.443 3.912 1.00 5.53 N ATOM 0 H ARG A 11 1.446 -7.914 5.417 1.00 0.49 H new ATOM 0 HA ARG A 11 -0.675 -9.811 6.083 1.00 0.59 H new ATOM 0 HB2 ARG A 11 2.117 -9.232 7.146 1.00 0.84 H new ATOM 0 HB3 ARG A 11 1.096 -10.558 7.666 1.00 0.84 H new ATOM 0 HG2 ARG A 11 1.221 -11.647 5.519 1.00 1.39 H new ATOM 0 HG3 ARG A 11 1.836 -10.208 4.730 1.00 1.39 H new ATOM 0 HD2 ARG A 11 3.942 -10.346 6.029 1.00 1.68 H new ATOM 0 HD3 ARG A 11 3.323 -11.709 6.941 1.00 1.68 H new ATOM 0 HE ARG A 11 3.162 -12.443 4.211 1.00 3.16 H new ATOM 0 HH11 ARG A 11 5.694 -11.622 6.573 1.00 4.05 H new ATOM 0 HH12 ARG A 11 6.913 -12.620 5.774 1.00 4.05 H new ATOM 0 HH21 ARG A 11 4.746 -13.718 3.202 1.00 5.53 H new ATOM 0 HH22 ARG A 11 6.379 -13.803 3.872 1.00 5.53 H new ATOM 171 N GLY A 12 -1.519 -8.848 8.247 1.00 0.73 N ATOM 172 CA GLY A 12 -2.162 -8.251 9.414 1.00 0.84 C ATOM 173 C GLY A 12 -3.547 -7.679 9.101 1.00 0.93 C ATOM 174 O GLY A 12 -4.294 -7.337 10.015 1.00 1.65 O ATOM 0 H GLY A 12 -1.953 -9.724 7.955 1.00 0.73 H new ATOM 0 HA2 GLY A 12 -2.253 -9.003 10.197 1.00 0.84 H new ATOM 0 HA3 GLY A 12 -1.527 -7.457 9.807 1.00 0.84 H new ATOM 178 N MET A 13 -3.910 -7.563 7.819 1.00 0.73 N ATOM 179 CA MET A 13 -5.228 -7.070 7.447 1.00 0.79 C ATOM 180 C MET A 13 -6.324 -8.058 7.848 1.00 0.92 C ATOM 181 O MET A 13 -6.141 -9.271 7.769 1.00 1.49 O ATOM 182 CB MET A 13 -5.314 -6.835 5.940 1.00 1.11 C ATOM 183 CG MET A 13 -4.324 -5.777 5.457 1.00 0.82 C ATOM 184 SD MET A 13 -4.643 -5.201 3.774 1.00 1.29 S ATOM 185 CE MET A 13 -4.594 -6.745 2.854 1.00 1.37 C ATOM 0 H MET A 13 -3.309 -7.804 7.031 1.00 0.73 H new ATOM 0 HA MET A 13 -5.378 -6.130 7.977 1.00 0.79 H new ATOM 0 HB2 MET A 13 -5.123 -7.772 5.418 1.00 1.11 H new ATOM 0 HB3 MET A 13 -6.327 -6.526 5.681 1.00 1.11 H new ATOM 0 HG2 MET A 13 -4.356 -4.925 6.136 1.00 0.82 H new ATOM 0 HG3 MET A 13 -3.315 -6.186 5.507 1.00 0.82 H new ATOM 0 HE1 MET A 13 -4.632 -6.533 1.785 1.00 1.37 H new ATOM 0 HE2 MET A 13 -3.671 -7.277 3.086 1.00 1.37 H new ATOM 0 HE3 MET A 13 -5.448 -7.362 3.133 1.00 1.37 H new ATOM 195 N THR A 14 -7.489 -7.522 8.204 1.00 0.71 N ATOM 196 CA THR A 14 -8.733 -8.253 8.349 1.00 0.95 C ATOM 197 C THR A 14 -9.842 -7.202 8.314 1.00 1.27 C ATOM 198 O THR A 14 -9.627 -6.097 8.811 1.00 2.97 O ATOM 199 CB THR A 14 -8.725 -9.089 9.642 1.00 1.17 C ATOM 200 OG1 THR A 14 -9.912 -9.852 9.723 1.00 2.01 O ATOM 201 CG2 THR A 14 -8.590 -8.239 10.911 1.00 1.06 C ATOM 0 H THR A 14 -7.590 -6.527 8.406 1.00 0.71 H new ATOM 0 HA THR A 14 -8.886 -8.977 7.549 1.00 0.95 H new ATOM 0 HB THR A 14 -7.848 -9.735 9.590 1.00 1.17 H new ATOM 0 HG1 THR A 14 -9.903 -10.384 10.546 1.00 2.01 H new ATOM 0 HG21 THR A 14 -8.591 -8.889 11.786 1.00 1.06 H new ATOM 0 HG22 THR A 14 -7.656 -7.679 10.876 1.00 1.06 H new ATOM 0 HG23 THR A 14 -9.427 -7.544 10.974 1.00 1.06 H new ATOM 209 N CYS A 15 -10.988 -7.525 7.705 1.00 0.94 N ATOM 210 CA CYS A 15 -12.160 -6.656 7.590 1.00 0.86 C ATOM 211 C CYS A 15 -11.936 -5.459 6.647 1.00 0.65 C ATOM 212 O CYS A 15 -10.844 -4.895 6.566 1.00 0.97 O ATOM 213 CB CYS A 15 -12.657 -6.225 8.981 1.00 1.17 C ATOM 214 SG CYS A 15 -14.081 -5.125 8.818 1.00 2.47 S ATOM 0 H CYS A 15 -11.128 -8.433 7.263 1.00 0.94 H new ATOM 0 HA CYS A 15 -12.949 -7.243 7.121 1.00 0.86 H new ATOM 0 HB2 CYS A 15 -12.931 -7.103 9.566 1.00 1.17 H new ATOM 0 HB3 CYS A 15 -11.857 -5.719 9.521 1.00 1.17 H new ATOM 0 HG CYS A 15 -14.492 -4.770 9.999 1.00 2.47 H new ATOM 220 N ALA A 16 -13.003 -5.062 5.937 1.00 0.58 N ATOM 221 CA ALA A 16 -13.070 -3.897 5.054 1.00 0.54 C ATOM 222 C ALA A 16 -12.387 -2.654 5.641 1.00 0.64 C ATOM 223 O ALA A 16 -11.840 -1.842 4.903 1.00 1.20 O ATOM 224 CB ALA A 16 -14.537 -3.592 4.741 1.00 0.68 C ATOM 0 H ALA A 16 -13.885 -5.574 5.968 1.00 0.58 H new ATOM 0 HA ALA A 16 -12.525 -4.145 4.143 1.00 0.54 H new ATOM 0 HB1 ALA A 16 -14.596 -2.725 4.083 1.00 0.68 H new ATOM 0 HB2 ALA A 16 -14.990 -4.452 4.249 1.00 0.68 H new ATOM 0 HB3 ALA A 16 -15.071 -3.381 5.668 1.00 0.68 H new ATOM 230 N SER A 17 -12.424 -2.511 6.966 1.00 0.44 N ATOM 231 CA SER A 17 -11.715 -1.481 7.708 1.00 0.51 C ATOM 232 C SER A 17 -10.221 -1.414 7.360 1.00 0.58 C ATOM 233 O SER A 17 -9.810 -0.565 6.578 1.00 1.01 O ATOM 234 CB SER A 17 -11.930 -1.757 9.194 1.00 0.65 C ATOM 235 OG SER A 17 -11.479 -3.057 9.538 1.00 0.74 O ATOM 0 H SER A 17 -12.967 -3.131 7.567 1.00 0.44 H new ATOM 0 HA SER A 17 -12.113 -0.504 7.435 1.00 0.51 H new ATOM 0 HB2 SER A 17 -11.397 -1.014 9.787 1.00 0.65 H new ATOM 0 HB3 SER A 17 -12.988 -1.659 9.437 1.00 0.65 H new ATOM 0 HG SER A 17 -12.213 -3.697 9.431 1.00 0.74 H new ATOM 241 N CYS A 18 -9.397 -2.283 7.954 1.00 0.47 N ATOM 242 CA CYS A 18 -7.950 -2.347 7.736 1.00 0.49 C ATOM 243 C CYS A 18 -7.626 -2.272 6.249 1.00 0.59 C ATOM 244 O CYS A 18 -6.723 -1.550 5.832 1.00 0.72 O ATOM 245 CB CYS A 18 -7.387 -3.654 8.296 1.00 0.64 C ATOM 246 SG CYS A 18 -7.290 -3.572 10.099 1.00 1.21 S ATOM 0 H CYS A 18 -9.729 -2.981 8.619 1.00 0.47 H new ATOM 0 HA CYS A 18 -7.497 -1.499 8.249 1.00 0.49 H new ATOM 0 HB2 CYS A 18 -8.020 -4.489 7.996 1.00 0.64 H new ATOM 0 HB3 CYS A 18 -6.397 -3.840 7.880 1.00 0.64 H new ATOM 0 HG CYS A 18 -6.812 -4.690 10.559 1.00 1.21 H new ATOM 252 N VAL A 19 -8.399 -3.016 5.458 1.00 0.66 N ATOM 253 CA VAL A 19 -8.347 -2.999 4.012 1.00 0.83 C ATOM 254 C VAL A 19 -8.386 -1.567 3.480 1.00 0.91 C ATOM 255 O VAL A 19 -7.407 -1.104 2.895 1.00 1.10 O ATOM 256 CB VAL A 19 -9.502 -3.862 3.493 1.00 0.87 C ATOM 257 CG1 VAL A 19 -9.818 -3.654 2.012 1.00 1.14 C ATOM 258 CG2 VAL A 19 -9.176 -5.325 3.768 1.00 1.06 C ATOM 0 H VAL A 19 -9.096 -3.663 5.825 1.00 0.66 H new ATOM 0 HA VAL A 19 -7.407 -3.417 3.652 1.00 0.83 H new ATOM 0 HB VAL A 19 -10.402 -3.554 4.025 1.00 0.87 H new ATOM 0 HG11 VAL A 19 -10.646 -4.300 1.722 1.00 1.14 H new ATOM 0 HG12 VAL A 19 -10.093 -2.613 1.841 1.00 1.14 H new ATOM 0 HG13 VAL A 19 -8.940 -3.900 1.415 1.00 1.14 H new ATOM 0 HG21 VAL A 19 -9.989 -5.953 3.404 1.00 1.06 H new ATOM 0 HG22 VAL A 19 -8.252 -5.594 3.256 1.00 1.06 H new ATOM 0 HG23 VAL A 19 -9.053 -5.475 4.841 1.00 1.06 H new ATOM 268 N HIS A 20 -9.504 -0.861 3.678 1.00 0.85 N ATOM 269 CA HIS A 20 -9.632 0.479 3.132 1.00 0.96 C ATOM 270 C HIS A 20 -8.686 1.459 3.848 1.00 0.99 C ATOM 271 O HIS A 20 -8.358 2.524 3.336 1.00 1.05 O ATOM 272 CB HIS A 20 -11.098 0.924 2.952 1.00 1.01 C ATOM 273 CG HIS A 20 -11.905 1.389 4.136 1.00 0.98 C ATOM 274 ND1 HIS A 20 -11.438 1.731 5.373 1.00 1.43 N flip ATOM 275 CD2 HIS A 20 -13.198 1.850 4.056 1.00 0.88 C flip ATOM 276 CE1 HIS A 20 -12.456 2.384 6.071 1.00 1.24 C flip ATOM 277 NE2 HIS A 20 -13.496 2.437 5.228 1.00 0.99 N flip ATOM 0 H HIS A 20 -10.314 -1.193 4.202 1.00 0.85 H new ATOM 0 HA HIS A 20 -9.280 0.475 2.101 1.00 0.96 H new ATOM 0 HB2 HIS A 20 -11.102 1.733 2.222 1.00 1.01 H new ATOM 0 HB3 HIS A 20 -11.636 0.088 2.504 1.00 1.01 H new ATOM 0 HD2 HIS A 20 -13.856 1.757 3.205 1.00 0.88 H new ATOM 0 HE1 HIS A 20 -12.414 2.767 7.080 1.00 1.24 H new ATOM 0 HE2 HIS A 20 -14.395 2.866 5.447 1.00 0.99 H new ATOM 285 N LYS A 21 -8.231 1.108 5.058 1.00 0.96 N ATOM 286 CA LYS A 21 -7.470 2.014 5.898 1.00 0.80 C ATOM 287 C LYS A 21 -6.169 2.364 5.197 1.00 0.68 C ATOM 288 O LYS A 21 -5.736 3.512 5.234 1.00 0.60 O ATOM 289 CB LYS A 21 -7.218 1.383 7.277 1.00 0.75 C ATOM 290 CG LYS A 21 -6.603 2.348 8.300 1.00 0.54 C ATOM 291 CD LYS A 21 -7.512 3.562 8.513 1.00 2.04 C ATOM 292 CE LYS A 21 -7.142 4.325 9.793 1.00 2.50 C ATOM 293 NZ LYS A 21 -8.045 5.470 10.034 1.00 4.16 N ATOM 0 H LYS A 21 -8.385 0.189 5.472 1.00 0.96 H new ATOM 0 HA LYS A 21 -8.036 2.931 6.062 1.00 0.80 H new ATOM 0 HB2 LYS A 21 -8.162 1.005 7.671 1.00 0.75 H new ATOM 0 HB3 LYS A 21 -6.556 0.525 7.158 1.00 0.75 H new ATOM 0 HG2 LYS A 21 -6.449 1.832 9.248 1.00 0.54 H new ATOM 0 HG3 LYS A 21 -5.623 2.677 7.954 1.00 0.54 H new ATOM 0 HD2 LYS A 21 -7.435 4.230 7.655 1.00 2.04 H new ATOM 0 HD3 LYS A 21 -8.550 3.235 8.571 1.00 2.04 H new ATOM 0 HE2 LYS A 21 -7.182 3.646 10.645 1.00 2.50 H new ATOM 0 HE3 LYS A 21 -6.115 4.682 9.718 1.00 2.50 H new ATOM 0 HZ1 LYS A 21 -7.761 5.958 10.907 1.00 4.16 H new ATOM 0 HZ2 LYS A 21 -7.988 6.131 9.233 1.00 4.16 H new ATOM 0 HZ3 LYS A 21 -9.022 5.127 10.131 1.00 4.16 H new ATOM 307 N ILE A 22 -5.561 1.361 4.566 1.00 0.71 N ATOM 308 CA ILE A 22 -4.356 1.515 3.773 1.00 0.68 C ATOM 309 C ILE A 22 -4.606 2.554 2.680 1.00 0.64 C ATOM 310 O ILE A 22 -4.028 3.638 2.730 1.00 0.51 O ATOM 311 CB ILE A 22 -3.950 0.133 3.237 1.00 0.70 C ATOM 312 CG1 ILE A 22 -3.507 -0.730 4.426 1.00 0.71 C ATOM 313 CG2 ILE A 22 -2.842 0.233 2.178 1.00 0.74 C ATOM 314 CD1 ILE A 22 -3.551 -2.216 4.128 1.00 0.67 C ATOM 0 H ILE A 22 -5.904 0.401 4.596 1.00 0.71 H new ATOM 0 HA ILE A 22 -3.520 1.888 4.365 1.00 0.68 H new ATOM 0 HB ILE A 22 -4.804 -0.327 2.740 1.00 0.70 H new ATOM 0 HG12 ILE A 22 -2.492 -0.452 4.712 1.00 0.71 H new ATOM 0 HG13 ILE A 22 -4.148 -0.517 5.281 1.00 0.71 H new ATOM 0 HG21 ILE A 22 -2.585 -0.766 1.825 1.00 0.74 H new ATOM 0 HG22 ILE A 22 -3.193 0.835 1.340 1.00 0.74 H new ATOM 0 HG23 ILE A 22 -1.961 0.701 2.616 1.00 0.74 H new ATOM 0 HD11 ILE A 22 -3.227 -2.773 5.007 1.00 0.67 H new ATOM 0 HD12 ILE A 22 -4.570 -2.505 3.870 1.00 0.67 H new ATOM 0 HD13 ILE A 22 -2.888 -2.439 3.292 1.00 0.67 H new ATOM 326 N GLU A 23 -5.471 2.241 1.711 1.00 0.78 N ATOM 327 CA GLU A 23 -5.816 3.156 0.631 1.00 0.67 C ATOM 328 C GLU A 23 -6.153 4.549 1.159 1.00 0.51 C ATOM 329 O GLU A 23 -5.411 5.491 0.882 1.00 0.48 O ATOM 330 CB GLU A 23 -6.869 2.580 -0.333 1.00 0.89 C ATOM 331 CG GLU A 23 -7.971 1.674 0.219 1.00 0.98 C ATOM 332 CD GLU A 23 -9.316 2.384 0.309 1.00 2.15 C ATOM 333 OE1 GLU A 23 -9.337 3.485 0.898 1.00 3.48 O ATOM 334 OE2 GLU A 23 -10.298 1.808 -0.202 1.00 2.68 O ATOM 0 H GLU A 23 -5.950 1.342 1.658 1.00 0.78 H new ATOM 0 HA GLU A 23 -4.924 3.276 0.016 1.00 0.67 H new ATOM 0 HB2 GLU A 23 -7.354 3.421 -0.829 1.00 0.89 H new ATOM 0 HB3 GLU A 23 -6.338 2.019 -1.102 1.00 0.89 H new ATOM 0 HG2 GLU A 23 -8.069 0.796 -0.419 1.00 0.98 H new ATOM 0 HG3 GLU A 23 -7.684 1.319 1.209 1.00 0.98 H new ATOM 341 N SER A 24 -7.219 4.685 1.941 1.00 0.59 N ATOM 342 CA SER A 24 -7.645 5.949 2.520 1.00 0.60 C ATOM 343 C SER A 24 -6.482 6.694 3.189 1.00 0.54 C ATOM 344 O SER A 24 -6.300 7.887 2.955 1.00 0.68 O ATOM 345 CB SER A 24 -8.798 5.685 3.498 1.00 0.78 C ATOM 346 OG SER A 24 -9.943 5.221 2.808 1.00 2.83 O ATOM 0 H SER A 24 -7.822 3.902 2.194 1.00 0.59 H new ATOM 0 HA SER A 24 -7.998 6.604 1.724 1.00 0.60 H new ATOM 0 HB2 SER A 24 -8.491 4.948 4.240 1.00 0.78 H new ATOM 0 HB3 SER A 24 -9.039 6.600 4.039 1.00 0.78 H new ATOM 0 HG SER A 24 -9.741 4.364 2.378 1.00 2.83 H new ATOM 352 N SER A 25 -5.678 6.017 4.015 1.00 0.44 N ATOM 353 CA SER A 25 -4.571 6.666 4.706 1.00 0.43 C ATOM 354 C SER A 25 -3.473 7.102 3.752 1.00 0.41 C ATOM 355 O SER A 25 -2.887 8.161 3.965 1.00 0.69 O ATOM 356 CB SER A 25 -4.008 5.780 5.818 1.00 0.48 C ATOM 357 OG SER A 25 -3.031 6.486 6.567 1.00 0.84 O ATOM 0 H SER A 25 -5.777 5.022 4.218 1.00 0.44 H new ATOM 0 HA SER A 25 -4.977 7.568 5.165 1.00 0.43 H new ATOM 0 HB2 SER A 25 -4.814 5.455 6.476 1.00 0.48 H new ATOM 0 HB3 SER A 25 -3.566 4.882 5.387 1.00 0.48 H new ATOM 0 HG SER A 25 -2.914 6.055 7.439 1.00 0.84 H new ATOM 363 N LEU A 26 -3.128 6.311 2.739 1.00 0.35 N ATOM 364 CA LEU A 26 -2.105 6.752 1.806 1.00 0.48 C ATOM 365 C LEU A 26 -2.633 7.874 0.904 1.00 0.57 C ATOM 366 O LEU A 26 -1.892 8.804 0.578 1.00 0.67 O ATOM 367 CB LEU A 26 -1.514 5.594 1.001 1.00 0.56 C ATOM 368 CG LEU A 26 -0.971 4.445 1.858 1.00 0.55 C ATOM 369 CD1 LEU A 26 -0.747 3.240 0.946 1.00 1.60 C ATOM 370 CD2 LEU A 26 0.339 4.824 2.553 1.00 1.77 C ATOM 0 H LEU A 26 -3.528 5.392 2.549 1.00 0.35 H new ATOM 0 HA LEU A 26 -1.283 7.161 2.393 1.00 0.48 H new ATOM 0 HB2 LEU A 26 -2.281 5.203 0.332 1.00 0.56 H new ATOM 0 HB3 LEU A 26 -0.709 5.976 0.374 1.00 0.56 H new ATOM 0 HG LEU A 26 -1.693 4.213 2.640 1.00 0.55 H new ATOM 0 HD11 LEU A 26 -0.360 2.407 1.533 1.00 1.60 H new ATOM 0 HD12 LEU A 26 -1.692 2.952 0.486 1.00 1.60 H new ATOM 0 HD13 LEU A 26 -0.029 3.501 0.168 1.00 1.60 H new ATOM 0 HD21 LEU A 26 0.691 3.983 3.150 1.00 1.77 H new ATOM 0 HD22 LEU A 26 1.089 5.075 1.803 1.00 1.77 H new ATOM 0 HD23 LEU A 26 0.171 5.684 3.201 1.00 1.77 H new ATOM 382 N THR A 27 -3.904 7.791 0.496 1.00 0.57 N ATOM 383 CA THR A 27 -4.555 8.721 -0.423 1.00 0.71 C ATOM 384 C THR A 27 -4.733 10.090 0.250 1.00 1.06 C ATOM 385 O THR A 27 -5.824 10.493 0.638 1.00 2.55 O ATOM 386 CB THR A 27 -5.868 8.115 -0.948 1.00 0.63 C ATOM 387 OG1 THR A 27 -5.598 6.837 -1.488 1.00 1.39 O ATOM 388 CG2 THR A 27 -6.473 8.951 -2.079 1.00 1.39 C ATOM 0 H THR A 27 -4.527 7.047 0.810 1.00 0.57 H new ATOM 0 HA THR A 27 -3.925 8.889 -1.297 1.00 0.71 H new ATOM 0 HB THR A 27 -6.565 8.077 -0.111 1.00 0.63 H new ATOM 0 HG1 THR A 27 -5.493 6.190 -0.760 1.00 1.39 H new ATOM 0 HG21 THR A 27 -7.399 8.487 -2.420 1.00 1.39 H new ATOM 0 HG22 THR A 27 -6.684 9.957 -1.715 1.00 1.39 H new ATOM 0 HG23 THR A 27 -5.768 9.006 -2.908 1.00 1.39 H new ATOM 396 N LYS A 28 -3.600 10.779 0.378 1.00 0.99 N ATOM 397 CA LYS A 28 -3.353 12.026 1.087 1.00 0.89 C ATOM 398 C LYS A 28 -1.899 12.469 0.862 1.00 0.73 C ATOM 399 O LYS A 28 -1.647 13.664 0.745 1.00 0.86 O ATOM 400 CB LYS A 28 -3.715 11.918 2.584 1.00 0.95 C ATOM 401 CG LYS A 28 -2.830 10.967 3.394 1.00 1.69 C ATOM 402 CD LYS A 28 -1.684 11.672 4.137 1.00 3.29 C ATOM 403 CE LYS A 28 -0.624 10.671 4.625 1.00 4.62 C ATOM 404 NZ LYS A 28 -1.181 9.588 5.463 1.00 5.53 N ATOM 0 H LYS A 28 -2.745 10.438 -0.060 1.00 0.99 H new ATOM 0 HA LYS A 28 -4.008 12.797 0.681 1.00 0.89 H new ATOM 0 HB2 LYS A 28 -3.658 12.911 3.029 1.00 0.95 H new ATOM 0 HB3 LYS A 28 -4.751 11.589 2.670 1.00 0.95 H new ATOM 0 HG2 LYS A 28 -3.449 10.437 4.118 1.00 1.69 H new ATOM 0 HG3 LYS A 28 -2.410 10.217 2.724 1.00 1.69 H new ATOM 0 HD2 LYS A 28 -1.218 12.403 3.477 1.00 3.29 H new ATOM 0 HD3 LYS A 28 -2.086 12.221 4.989 1.00 3.29 H new ATOM 0 HE2 LYS A 28 -0.125 10.232 3.761 1.00 4.62 H new ATOM 0 HE3 LYS A 28 0.136 11.206 5.194 1.00 4.62 H new ATOM 0 HZ1 LYS A 28 -0.434 9.204 6.076 1.00 5.53 H new ATOM 0 HZ2 LYS A 28 -1.951 9.965 6.051 1.00 5.53 H new ATOM 0 HZ3 LYS A 28 -1.550 8.832 4.852 1.00 5.53 H new ATOM 418 N HIS A 29 -0.934 11.533 0.780 1.00 0.60 N ATOM 419 CA HIS A 29 0.458 11.873 0.478 1.00 0.64 C ATOM 420 C HIS A 29 0.590 12.688 -0.812 1.00 1.01 C ATOM 421 O HIS A 29 1.463 13.544 -0.903 1.00 2.59 O ATOM 422 CB HIS A 29 1.306 10.605 0.295 1.00 0.61 C ATOM 423 CG HIS A 29 1.492 9.745 1.516 1.00 0.49 C ATOM 424 ND1 HIS A 29 2.408 9.943 2.524 1.00 1.07 N ATOM 425 CD2 HIS A 29 0.944 8.507 1.703 1.00 0.66 C ATOM 426 CE1 HIS A 29 2.367 8.857 3.318 1.00 0.93 C ATOM 427 NE2 HIS A 29 1.469 7.969 2.874 1.00 0.61 N ATOM 0 H HIS A 29 -1.099 10.536 0.920 1.00 0.60 H new ATOM 0 HA HIS A 29 0.809 12.462 1.325 1.00 0.64 H new ATOM 0 HB2 HIS A 29 0.848 9.997 -0.485 1.00 0.61 H new ATOM 0 HB3 HIS A 29 2.290 10.901 -0.068 1.00 0.61 H new ATOM 0 HD1 HIS A 29 3.006 10.760 2.646 1.00 1.07 H new ATOM 0 HD2 HIS A 29 0.226 8.028 1.053 1.00 0.66 H new ATOM 0 HE1 HIS A 29 2.978 8.720 4.198 1.00 0.93 H new ATOM 435 N ARG A 30 -0.189 12.309 -1.835 1.00 0.92 N ATOM 436 CA ARG A 30 -0.049 12.670 -3.251 1.00 0.96 C ATOM 437 C ARG A 30 1.063 11.850 -3.931 1.00 1.06 C ATOM 438 O ARG A 30 1.186 11.873 -5.150 1.00 1.62 O ATOM 439 CB ARG A 30 0.184 14.188 -3.408 1.00 1.18 C ATOM 440 CG ARG A 30 0.012 14.714 -4.841 1.00 2.72 C ATOM 441 CD ARG A 30 0.385 16.200 -4.899 1.00 3.21 C ATOM 442 NE ARG A 30 0.519 16.655 -6.292 1.00 4.89 N ATOM 443 CZ ARG A 30 1.091 17.809 -6.671 1.00 5.83 C ATOM 444 NH1 ARG A 30 1.482 18.693 -5.746 1.00 5.35 N ATOM 445 NH2 ARG A 30 1.273 18.072 -7.971 1.00 7.57 N ATOM 0 H ARG A 30 -0.991 11.698 -1.682 1.00 0.92 H new ATOM 0 HA ARG A 30 -0.983 12.424 -3.757 1.00 0.96 H new ATOM 0 HB2 ARG A 30 -0.508 14.719 -2.754 1.00 1.18 H new ATOM 0 HB3 ARG A 30 1.191 14.426 -3.066 1.00 1.18 H new ATOM 0 HG2 ARG A 30 0.642 14.145 -5.525 1.00 2.72 H new ATOM 0 HG3 ARG A 30 -1.019 14.576 -5.167 1.00 2.72 H new ATOM 0 HD2 ARG A 30 -0.378 16.790 -4.391 1.00 3.21 H new ATOM 0 HD3 ARG A 30 1.322 16.365 -4.367 1.00 3.21 H new ATOM 0 HE ARG A 30 0.150 16.048 -7.024 1.00 4.89 H new ATOM 0 HH11 ARG A 30 1.345 18.489 -4.756 1.00 5.35 H new ATOM 0 HH12 ARG A 30 1.917 19.571 -6.031 1.00 5.35 H new ATOM 0 HH21 ARG A 30 0.977 17.395 -8.675 1.00 7.57 H new ATOM 0 HH22 ARG A 30 1.708 18.949 -8.258 1.00 7.57 H new ATOM 459 N GLY A 31 1.802 11.034 -3.174 1.00 0.92 N ATOM 460 CA GLY A 31 2.826 10.150 -3.710 1.00 1.27 C ATOM 461 C GLY A 31 2.211 8.930 -4.387 1.00 0.98 C ATOM 462 O GLY A 31 2.736 8.403 -5.366 1.00 0.93 O ATOM 0 H GLY A 31 1.700 10.972 -2.161 1.00 0.92 H new ATOM 0 HA2 GLY A 31 3.440 10.695 -4.427 1.00 1.27 H new ATOM 0 HA3 GLY A 31 3.487 9.827 -2.906 1.00 1.27 H new ATOM 466 N ILE A 32 1.093 8.475 -3.825 1.00 1.00 N ATOM 467 CA ILE A 32 0.256 7.426 -4.367 1.00 0.75 C ATOM 468 C ILE A 32 -0.743 8.071 -5.326 1.00 0.65 C ATOM 469 O ILE A 32 -1.354 9.082 -4.981 1.00 0.89 O ATOM 470 CB ILE A 32 -0.395 6.649 -3.208 1.00 0.82 C ATOM 471 CG1 ILE A 32 -1.496 5.669 -3.649 1.00 2.28 C ATOM 472 CG2 ILE A 32 -0.883 7.544 -2.065 1.00 2.00 C ATOM 473 CD1 ILE A 32 -2.894 6.279 -3.823 1.00 3.74 C ATOM 0 H ILE A 32 0.738 8.847 -2.944 1.00 1.00 H new ATOM 0 HA ILE A 32 0.825 6.692 -4.938 1.00 0.75 H new ATOM 0 HB ILE A 32 0.423 6.044 -2.816 1.00 0.82 H new ATOM 0 HG12 ILE A 32 -1.197 5.215 -4.594 1.00 2.28 H new ATOM 0 HG13 ILE A 32 -1.558 4.866 -2.915 1.00 2.28 H new ATOM 0 HG21 ILE A 32 -1.330 6.927 -1.285 1.00 2.00 H new ATOM 0 HG22 ILE A 32 -0.040 8.098 -1.651 1.00 2.00 H new ATOM 0 HG23 ILE A 32 -1.627 8.245 -2.444 1.00 2.00 H new ATOM 0 HD11 ILE A 32 -3.593 5.503 -4.135 1.00 3.74 H new ATOM 0 HD12 ILE A 32 -3.225 6.706 -2.876 1.00 3.74 H new ATOM 0 HD13 ILE A 32 -2.858 7.061 -4.581 1.00 3.74 H new ATOM 485 N LEU A 33 -0.916 7.480 -6.512 1.00 0.55 N ATOM 486 CA LEU A 33 -1.924 7.872 -7.488 1.00 0.68 C ATOM 487 C LEU A 33 -3.106 6.910 -7.459 1.00 0.56 C ATOM 488 O LEU A 33 -4.235 7.334 -7.693 1.00 0.64 O ATOM 489 CB LEU A 33 -1.317 7.952 -8.898 1.00 0.89 C ATOM 490 CG LEU A 33 0.004 8.740 -8.972 1.00 1.02 C ATOM 491 CD1 LEU A 33 0.519 8.717 -10.416 1.00 1.37 C ATOM 492 CD2 LEU A 33 -0.168 10.193 -8.513 1.00 1.59 C ATOM 0 H LEU A 33 -0.342 6.696 -6.823 1.00 0.55 H new ATOM 0 HA LEU A 33 -2.288 8.864 -7.221 1.00 0.68 H new ATOM 0 HB2 LEU A 33 -1.145 6.940 -9.265 1.00 0.89 H new ATOM 0 HB3 LEU A 33 -2.042 8.415 -9.568 1.00 0.89 H new ATOM 0 HG LEU A 33 0.720 8.265 -8.301 1.00 1.02 H new ATOM 0 HD11 LEU A 33 1.455 9.273 -10.478 1.00 1.37 H new ATOM 0 HD12 LEU A 33 0.689 7.686 -10.725 1.00 1.37 H new ATOM 0 HD13 LEU A 33 -0.220 9.176 -11.073 1.00 1.37 H new ATOM 0 HD21 LEU A 33 0.788 10.712 -8.581 1.00 1.59 H new ATOM 0 HD22 LEU A 33 -0.898 10.692 -9.150 1.00 1.59 H new ATOM 0 HD23 LEU A 33 -0.517 10.210 -7.480 1.00 1.59 H new ATOM 504 N TYR A 34 -2.877 5.628 -7.153 1.00 0.48 N ATOM 505 CA TYR A 34 -3.972 4.688 -6.987 1.00 0.51 C ATOM 506 C TYR A 34 -3.533 3.541 -6.081 1.00 0.52 C ATOM 507 O TYR A 34 -2.336 3.274 -6.001 1.00 0.57 O ATOM 508 CB TYR A 34 -4.440 4.187 -8.358 1.00 0.74 C ATOM 509 CG TYR A 34 -5.701 3.371 -8.270 1.00 0.72 C ATOM 510 CD1 TYR A 34 -6.819 3.922 -7.623 1.00 1.75 C ATOM 511 CD2 TYR A 34 -5.631 1.987 -8.493 1.00 1.82 C ATOM 512 CE1 TYR A 34 -7.746 3.076 -7.001 1.00 1.80 C ATOM 513 CE2 TYR A 34 -6.617 1.150 -7.961 1.00 2.09 C ATOM 514 CZ TYR A 34 -7.644 1.683 -7.162 1.00 1.35 C ATOM 515 OH TYR A 34 -8.500 0.854 -6.506 1.00 1.94 O ATOM 0 H TYR A 34 -1.949 5.228 -7.018 1.00 0.48 H new ATOM 0 HA TYR A 34 -4.818 5.184 -6.510 1.00 0.51 H new ATOM 0 HB2 TYR A 34 -4.607 5.040 -9.016 1.00 0.74 H new ATOM 0 HB3 TYR A 34 -3.652 3.585 -8.811 1.00 0.74 H new ATOM 0 HD1 TYR A 34 -6.963 4.992 -7.605 1.00 1.75 H new ATOM 0 HD2 TYR A 34 -4.820 1.571 -9.072 1.00 1.82 H new ATOM 0 HE1 TYR A 34 -8.539 3.494 -6.398 1.00 1.80 H new ATOM 0 HE2 TYR A 34 -6.590 0.090 -8.165 1.00 2.09 H new ATOM 0 HH TYR A 34 -8.140 -0.058 -6.510 1.00 1.94 H new ATOM 525 N CYS A 35 -4.481 2.899 -5.388 1.00 0.59 N ATOM 526 CA CYS A 35 -4.212 1.908 -4.351 1.00 0.64 C ATOM 527 C CYS A 35 -5.340 0.873 -4.280 1.00 0.71 C ATOM 528 O CYS A 35 -6.355 1.116 -3.636 1.00 1.12 O ATOM 529 CB CYS A 35 -4.018 2.616 -3.011 1.00 0.69 C ATOM 530 SG CYS A 35 -3.544 1.384 -1.781 1.00 2.03 S ATOM 0 H CYS A 35 -5.477 3.061 -5.539 1.00 0.59 H new ATOM 0 HA CYS A 35 -3.297 1.369 -4.596 1.00 0.64 H new ATOM 0 HB2 CYS A 35 -3.249 3.384 -3.095 1.00 0.69 H new ATOM 0 HB3 CYS A 35 -4.938 3.118 -2.710 1.00 0.69 H new ATOM 0 HG CYS A 35 -2.378 1.685 -1.292 1.00 2.03 H new ATOM 536 N SER A 36 -5.172 -0.278 -4.944 1.00 0.73 N ATOM 537 CA SER A 36 -6.078 -1.418 -4.817 1.00 0.79 C ATOM 538 C SER A 36 -5.526 -2.382 -3.769 1.00 0.59 C ATOM 539 O SER A 36 -4.586 -3.122 -4.056 1.00 0.57 O ATOM 540 CB SER A 36 -6.275 -2.144 -6.155 1.00 1.04 C ATOM 541 OG SER A 36 -7.444 -1.675 -6.804 1.00 1.46 O ATOM 0 H SER A 36 -4.398 -0.441 -5.587 1.00 0.73 H new ATOM 0 HA SER A 36 -7.054 -1.047 -4.505 1.00 0.79 H new ATOM 0 HB2 SER A 36 -5.407 -1.983 -6.794 1.00 1.04 H new ATOM 0 HB3 SER A 36 -6.352 -3.218 -5.985 1.00 1.04 H new ATOM 0 HG SER A 36 -7.556 -2.145 -7.656 1.00 1.46 H new ATOM 547 N VAL A 37 -6.121 -2.390 -2.574 1.00 0.57 N ATOM 548 CA VAL A 37 -5.757 -3.291 -1.489 1.00 0.46 C ATOM 549 C VAL A 37 -6.618 -4.546 -1.581 1.00 0.58 C ATOM 550 O VAL A 37 -7.643 -4.678 -0.913 1.00 0.72 O ATOM 551 CB VAL A 37 -5.855 -2.562 -0.131 1.00 0.58 C ATOM 552 CG1 VAL A 37 -5.070 -3.342 0.921 1.00 1.54 C ATOM 553 CG2 VAL A 37 -5.292 -1.139 -0.197 1.00 2.16 C ATOM 0 H VAL A 37 -6.883 -1.757 -2.333 1.00 0.57 H new ATOM 0 HA VAL A 37 -4.718 -3.608 -1.577 1.00 0.46 H new ATOM 0 HB VAL A 37 -6.912 -2.502 0.130 1.00 0.58 H new ATOM 0 HG11 VAL A 37 -5.138 -2.829 1.880 1.00 1.54 H new ATOM 0 HG12 VAL A 37 -5.486 -4.345 1.016 1.00 1.54 H new ATOM 0 HG13 VAL A 37 -4.025 -3.410 0.619 1.00 1.54 H new ATOM 0 HG21 VAL A 37 -5.383 -0.666 0.781 1.00 2.16 H new ATOM 0 HG22 VAL A 37 -4.242 -1.176 -0.486 1.00 2.16 H new ATOM 0 HG23 VAL A 37 -5.851 -0.560 -0.933 1.00 2.16 H new ATOM 563 N ALA A 38 -6.210 -5.484 -2.439 1.00 0.69 N ATOM 564 CA ALA A 38 -6.963 -6.687 -2.679 1.00 0.79 C ATOM 565 C ALA A 38 -6.634 -7.680 -1.570 1.00 0.75 C ATOM 566 O ALA A 38 -5.722 -8.497 -1.704 1.00 0.74 O ATOM 567 CB ALA A 38 -6.630 -7.217 -4.072 1.00 0.91 C ATOM 0 H ALA A 38 -5.347 -5.418 -2.979 1.00 0.69 H new ATOM 0 HA ALA A 38 -8.037 -6.504 -2.659 1.00 0.79 H new ATOM 0 HB1 ALA A 38 -7.197 -8.129 -4.260 1.00 0.91 H new ATOM 0 HB2 ALA A 38 -6.891 -6.467 -4.819 1.00 0.91 H new ATOM 0 HB3 ALA A 38 -5.564 -7.434 -4.133 1.00 0.91 H new ATOM 573 N LEU A 39 -7.414 -7.632 -0.485 1.00 0.75 N ATOM 574 CA LEU A 39 -7.390 -8.633 0.576 1.00 0.80 C ATOM 575 C LEU A 39 -7.433 -10.052 0.003 1.00 0.76 C ATOM 576 O LEU A 39 -6.801 -10.950 0.550 1.00 0.74 O ATOM 577 CB LEU A 39 -8.539 -8.392 1.566 1.00 0.89 C ATOM 578 CG LEU A 39 -8.502 -9.376 2.752 1.00 1.25 C ATOM 579 CD1 LEU A 39 -8.851 -8.677 4.071 1.00 1.81 C ATOM 580 CD2 LEU A 39 -9.484 -10.540 2.549 1.00 1.79 C ATOM 0 H LEU A 39 -8.088 -6.884 -0.321 1.00 0.75 H new ATOM 0 HA LEU A 39 -6.450 -8.534 1.118 1.00 0.80 H new ATOM 0 HB2 LEU A 39 -8.484 -7.370 1.942 1.00 0.89 H new ATOM 0 HB3 LEU A 39 -9.492 -8.489 1.045 1.00 0.89 H new ATOM 0 HG LEU A 39 -7.483 -9.761 2.799 1.00 1.25 H new ATOM 0 HD11 LEU A 39 -8.816 -9.400 4.886 1.00 1.81 H new ATOM 0 HD12 LEU A 39 -8.133 -7.880 4.261 1.00 1.81 H new ATOM 0 HD13 LEU A 39 -9.853 -8.254 4.004 1.00 1.81 H new ATOM 0 HD21 LEU A 39 -9.431 -11.214 3.404 1.00 1.79 H new ATOM 0 HD22 LEU A 39 -10.497 -10.149 2.457 1.00 1.79 H new ATOM 0 HD23 LEU A 39 -9.221 -11.084 1.642 1.00 1.79 H new ATOM 592 N ALA A 40 -8.119 -10.241 -1.130 1.00 0.81 N ATOM 593 CA ALA A 40 -8.215 -11.523 -1.820 1.00 0.88 C ATOM 594 C ALA A 40 -6.838 -12.143 -2.065 1.00 0.85 C ATOM 595 O ALA A 40 -6.699 -13.363 -2.081 1.00 0.93 O ATOM 596 CB ALA A 40 -8.930 -11.323 -3.158 1.00 0.98 C ATOM 0 H ALA A 40 -8.630 -9.492 -1.597 1.00 0.81 H new ATOM 0 HA ALA A 40 -8.779 -12.206 -1.185 1.00 0.88 H new ATOM 0 HB1 ALA A 40 -9.004 -12.278 -3.677 1.00 0.98 H new ATOM 0 HB2 ALA A 40 -9.930 -10.928 -2.981 1.00 0.98 H new ATOM 0 HB3 ALA A 40 -8.366 -10.620 -3.771 1.00 0.98 H new ATOM 602 N THR A 41 -5.835 -11.290 -2.278 1.00 0.79 N ATOM 603 CA THR A 41 -4.451 -11.661 -2.516 1.00 0.78 C ATOM 604 C THR A 41 -3.549 -10.998 -1.463 1.00 0.71 C ATOM 605 O THR A 41 -2.342 -10.890 -1.672 1.00 0.79 O ATOM 606 CB THR A 41 -4.104 -11.272 -3.963 1.00 0.87 C ATOM 607 OG1 THR A 41 -2.748 -11.503 -4.274 1.00 1.67 O ATOM 608 CG2 THR A 41 -4.483 -9.835 -4.311 1.00 1.42 C ATOM 0 H THR A 41 -5.978 -10.280 -2.289 1.00 0.79 H new ATOM 0 HA THR A 41 -4.291 -12.734 -2.411 1.00 0.78 H new ATOM 0 HB THR A 41 -4.715 -11.930 -4.580 1.00 0.87 H new ATOM 0 HG1 THR A 41 -2.202 -11.376 -3.470 1.00 1.67 H new ATOM 0 HG21 THR A 41 -4.211 -9.627 -5.346 1.00 1.42 H new ATOM 0 HG22 THR A 41 -5.557 -9.701 -4.185 1.00 1.42 H new ATOM 0 HG23 THR A 41 -3.952 -9.149 -3.651 1.00 1.42 H new ATOM 616 N ASN A 42 -4.139 -10.545 -0.348 1.00 0.64 N ATOM 617 CA ASN A 42 -3.509 -9.800 0.738 1.00 0.59 C ATOM 618 C ASN A 42 -2.448 -8.815 0.247 1.00 0.51 C ATOM 619 O ASN A 42 -1.379 -8.734 0.846 1.00 0.52 O ATOM 620 CB ASN A 42 -2.953 -10.768 1.798 1.00 0.76 C ATOM 621 CG ASN A 42 -4.065 -11.436 2.597 1.00 1.33 C ATOM 622 OD1 ASN A 42 -4.420 -12.583 2.349 1.00 2.65 O ATOM 623 ND2 ASN A 42 -4.612 -10.730 3.584 1.00 1.22 N ATOM 0 H ASN A 42 -5.132 -10.702 -0.175 1.00 0.64 H new ATOM 0 HA ASN A 42 -4.281 -9.188 1.204 1.00 0.59 H new ATOM 0 HB2 ASN A 42 -2.348 -11.532 1.310 1.00 0.76 H new ATOM 0 HB3 ASN A 42 -2.295 -10.225 2.476 1.00 0.76 H new ATOM 0 HD21 ASN A 42 -5.348 -11.141 4.158 1.00 1.22 H new ATOM 0 HD22 ASN A 42 -4.295 -9.778 3.766 1.00 1.22 H new ATOM 630 N LYS A 43 -2.733 -8.043 -0.811 1.00 0.51 N ATOM 631 CA LYS A 43 -1.738 -7.155 -1.409 1.00 0.49 C ATOM 632 C LYS A 43 -2.328 -5.794 -1.753 1.00 0.42 C ATOM 633 O LYS A 43 -3.479 -5.698 -2.176 1.00 0.54 O ATOM 634 CB LYS A 43 -1.025 -7.857 -2.587 1.00 0.76 C ATOM 635 CG LYS A 43 -0.540 -6.995 -3.765 1.00 0.86 C ATOM 636 CD LYS A 43 -1.650 -6.763 -4.809 1.00 0.99 C ATOM 637 CE LYS A 43 -1.907 -7.978 -5.710 1.00 1.12 C ATOM 638 NZ LYS A 43 -0.740 -8.376 -6.523 1.00 1.61 N ATOM 0 H LYS A 43 -3.645 -8.019 -1.267 1.00 0.51 H new ATOM 0 HA LYS A 43 -0.965 -6.941 -0.671 1.00 0.49 H new ATOM 0 HB2 LYS A 43 -0.161 -8.386 -2.185 1.00 0.76 H new ATOM 0 HB3 LYS A 43 -1.704 -8.611 -2.985 1.00 0.76 H new ATOM 0 HG2 LYS A 43 -0.189 -6.034 -3.390 1.00 0.86 H new ATOM 0 HG3 LYS A 43 0.311 -7.481 -4.243 1.00 0.86 H new ATOM 0 HD2 LYS A 43 -2.574 -6.501 -4.293 1.00 0.99 H new ATOM 0 HD3 LYS A 43 -1.380 -5.910 -5.431 1.00 0.99 H new ATOM 0 HE2 LYS A 43 -2.210 -8.821 -5.089 1.00 1.12 H new ATOM 0 HE3 LYS A 43 -2.742 -7.755 -6.375 1.00 1.12 H new ATOM 0 HZ1 LYS A 43 -1.024 -9.111 -7.201 1.00 1.61 H new ATOM 0 HZ2 LYS A 43 -0.379 -7.549 -7.040 1.00 1.61 H new ATOM 0 HZ3 LYS A 43 0.006 -8.748 -5.901 1.00 1.61 H new ATOM 652 N ALA A 44 -1.505 -4.757 -1.578 1.00 0.37 N ATOM 653 CA ALA A 44 -1.738 -3.410 -2.057 1.00 0.35 C ATOM 654 C ALA A 44 -1.011 -3.247 -3.386 1.00 0.38 C ATOM 655 O ALA A 44 0.217 -3.279 -3.418 1.00 0.42 O ATOM 656 CB ALA A 44 -1.263 -2.391 -1.017 1.00 0.41 C ATOM 0 H ALA A 44 -0.622 -4.847 -1.075 1.00 0.37 H new ATOM 0 HA ALA A 44 -2.802 -3.233 -2.211 1.00 0.35 H new ATOM 0 HB1 ALA A 44 -1.443 -1.382 -1.388 1.00 0.41 H new ATOM 0 HB2 ALA A 44 -1.811 -2.539 -0.086 1.00 0.41 H new ATOM 0 HB3 ALA A 44 -0.197 -2.526 -0.836 1.00 0.41 H new ATOM 662 N HIS A 45 -1.780 -3.090 -4.466 1.00 0.44 N ATOM 663 CA HIS A 45 -1.322 -2.604 -5.756 1.00 0.47 C ATOM 664 C HIS A 45 -1.393 -1.086 -5.695 1.00 0.45 C ATOM 665 O HIS A 45 -2.485 -0.524 -5.740 1.00 0.47 O ATOM 666 CB HIS A 45 -2.208 -3.197 -6.858 1.00 0.58 C ATOM 667 CG HIS A 45 -1.708 -2.926 -8.251 1.00 0.65 C ATOM 668 ND1 HIS A 45 -1.280 -3.863 -9.159 1.00 0.81 N ATOM 669 CD2 HIS A 45 -1.453 -1.696 -8.779 1.00 0.67 C ATOM 670 CE1 HIS A 45 -0.781 -3.200 -10.217 1.00 0.89 C ATOM 671 NE2 HIS A 45 -0.874 -1.869 -10.040 1.00 0.82 N ATOM 0 H HIS A 45 -2.776 -3.308 -4.459 1.00 0.44 H new ATOM 0 HA HIS A 45 -0.300 -2.905 -5.984 1.00 0.47 H new ATOM 0 HB2 HIS A 45 -2.281 -4.275 -6.712 1.00 0.58 H new ATOM 0 HB3 HIS A 45 -3.215 -2.792 -6.758 1.00 0.58 H new ATOM 0 HD1 HIS A 45 -1.331 -4.876 -9.051 1.00 0.81 H new ATOM 0 HD2 HIS A 45 -1.662 -0.749 -8.304 1.00 0.67 H new ATOM 0 HE1 HIS A 45 -0.361 -3.673 -11.093 1.00 0.89 H new ATOM 679 N ILE A 46 -0.231 -0.443 -5.578 1.00 0.55 N ATOM 680 CA ILE A 46 -0.074 0.975 -5.348 1.00 0.43 C ATOM 681 C ILE A 46 0.616 1.583 -6.560 1.00 0.60 C ATOM 682 O ILE A 46 1.830 1.489 -6.746 1.00 1.24 O ATOM 683 CB ILE A 46 0.693 1.238 -4.045 1.00 0.41 C ATOM 684 CG1 ILE A 46 0.063 0.398 -2.924 1.00 0.80 C ATOM 685 CG2 ILE A 46 0.641 2.740 -3.725 1.00 0.83 C ATOM 686 CD1 ILE A 46 0.625 0.742 -1.554 1.00 0.87 C ATOM 0 H ILE A 46 0.663 -0.929 -5.646 1.00 0.55 H new ATOM 0 HA ILE A 46 -1.048 1.448 -5.225 1.00 0.43 H new ATOM 0 HB ILE A 46 1.740 0.950 -4.144 1.00 0.41 H new ATOM 0 HG12 ILE A 46 -1.016 0.553 -2.920 1.00 0.80 H new ATOM 0 HG13 ILE A 46 0.232 -0.659 -3.128 1.00 0.80 H new ATOM 0 HG21 ILE A 46 1.184 2.934 -2.800 1.00 0.83 H new ATOM 0 HG22 ILE A 46 1.099 3.302 -4.539 1.00 0.83 H new ATOM 0 HG23 ILE A 46 -0.397 3.051 -3.608 1.00 0.83 H new ATOM 0 HD11 ILE A 46 0.146 0.120 -0.798 1.00 0.87 H new ATOM 0 HD12 ILE A 46 1.700 0.561 -1.546 1.00 0.87 H new ATOM 0 HD13 ILE A 46 0.432 1.792 -1.335 1.00 0.87 H new ATOM 698 N LYS A 47 -0.165 2.260 -7.388 1.00 0.44 N ATOM 699 CA LYS A 47 0.368 3.015 -8.496 1.00 0.50 C ATOM 700 C LYS A 47 0.913 4.316 -7.914 1.00 0.45 C ATOM 701 O LYS A 47 0.214 5.325 -7.856 1.00 0.89 O ATOM 702 CB LYS A 47 -0.754 3.249 -9.504 1.00 0.59 C ATOM 703 CG LYS A 47 -1.228 1.971 -10.215 1.00 0.69 C ATOM 704 CD LYS A 47 -0.196 1.370 -11.181 1.00 1.36 C ATOM 705 CE LYS A 47 -0.011 2.246 -12.427 1.00 2.32 C ATOM 706 NZ LYS A 47 1.176 1.860 -13.206 1.00 3.39 N ATOM 0 H LYS A 47 -1.181 2.297 -7.306 1.00 0.44 H new ATOM 0 HA LYS A 47 1.170 2.497 -9.021 1.00 0.50 H new ATOM 0 HB2 LYS A 47 -1.602 3.703 -8.991 1.00 0.59 H new ATOM 0 HB3 LYS A 47 -0.414 3.965 -10.252 1.00 0.59 H new ATOM 0 HG2 LYS A 47 -1.484 1.224 -9.464 1.00 0.69 H new ATOM 0 HG3 LYS A 47 -2.141 2.193 -10.768 1.00 0.69 H new ATOM 0 HD2 LYS A 47 0.760 1.258 -10.669 1.00 1.36 H new ATOM 0 HD3 LYS A 47 -0.516 0.372 -11.481 1.00 1.36 H new ATOM 0 HE2 LYS A 47 -0.897 2.171 -13.057 1.00 2.32 H new ATOM 0 HE3 LYS A 47 0.078 3.290 -12.125 1.00 2.32 H new ATOM 0 HZ1 LYS A 47 1.049 2.147 -14.197 1.00 3.39 H new ATOM 0 HZ2 LYS A 47 2.017 2.331 -12.814 1.00 3.39 H new ATOM 0 HZ3 LYS A 47 1.303 0.829 -13.158 1.00 3.39 H new ATOM 720 N TYR A 48 2.146 4.249 -7.414 1.00 0.67 N ATOM 721 CA TYR A 48 2.871 5.385 -6.866 1.00 0.66 C ATOM 722 C TYR A 48 3.704 6.106 -7.924 1.00 0.64 C ATOM 723 O TYR A 48 3.959 5.554 -8.996 1.00 0.93 O ATOM 724 CB TYR A 48 3.731 4.938 -5.676 1.00 0.78 C ATOM 725 CG TYR A 48 5.094 4.331 -5.982 1.00 0.82 C ATOM 726 CD1 TYR A 48 5.321 3.511 -7.107 1.00 1.83 C ATOM 727 CD2 TYR A 48 6.151 4.581 -5.090 1.00 1.74 C ATOM 728 CE1 TYR A 48 6.584 2.927 -7.311 1.00 2.00 C ATOM 729 CE2 TYR A 48 7.402 3.977 -5.283 1.00 1.80 C ATOM 730 CZ TYR A 48 7.602 3.107 -6.365 1.00 1.25 C ATOM 731 OH TYR A 48 8.811 2.507 -6.547 1.00 1.47 O ATOM 0 H TYR A 48 2.678 3.380 -7.380 1.00 0.67 H new ATOM 0 HA TYR A 48 2.138 6.109 -6.511 1.00 0.66 H new ATOM 0 HB2 TYR A 48 3.885 5.802 -5.029 1.00 0.78 H new ATOM 0 HB3 TYR A 48 3.159 4.208 -5.103 1.00 0.78 H new ATOM 0 HD1 TYR A 48 4.524 3.331 -7.813 1.00 1.83 H new ATOM 0 HD2 TYR A 48 5.999 5.243 -4.250 1.00 1.74 H new ATOM 0 HE1 TYR A 48 6.770 2.339 -8.198 1.00 2.00 H new ATOM 0 HE2 TYR A 48 8.212 4.182 -4.598 1.00 1.80 H new ATOM 0 HH TYR A 48 9.405 2.734 -5.801 1.00 1.47 H new ATOM 741 N ASP A 49 4.147 7.321 -7.592 1.00 0.81 N ATOM 742 CA ASP A 49 5.057 8.117 -8.407 1.00 1.11 C ATOM 743 C ASP A 49 6.457 8.165 -7.752 1.00 0.82 C ATOM 744 O ASP A 49 6.640 8.888 -6.767 1.00 0.77 O ATOM 745 CB ASP A 49 4.447 9.511 -8.563 1.00 1.75 C ATOM 746 CG ASP A 49 5.320 10.427 -9.407 1.00 2.53 C ATOM 747 OD1 ASP A 49 6.268 9.897 -10.023 1.00 3.11 O ATOM 748 OD2 ASP A 49 5.001 11.634 -9.428 1.00 3.78 O ATOM 0 H ASP A 49 3.874 7.787 -6.727 1.00 0.81 H new ATOM 0 HA ASP A 49 5.189 7.673 -9.394 1.00 1.11 H new ATOM 0 HB2 ASP A 49 3.462 9.426 -9.022 1.00 1.75 H new ATOM 0 HB3 ASP A 49 4.302 9.955 -7.578 1.00 1.75 H new ATOM 753 N PRO A 50 7.438 7.370 -8.223 1.00 0.88 N ATOM 754 CA PRO A 50 8.703 7.118 -7.533 1.00 0.87 C ATOM 755 C PRO A 50 9.709 8.273 -7.642 1.00 1.01 C ATOM 756 O PRO A 50 10.833 8.084 -8.103 1.00 2.31 O ATOM 757 CB PRO A 50 9.247 5.827 -8.160 1.00 1.16 C ATOM 758 CG PRO A 50 8.713 5.892 -9.587 1.00 1.33 C ATOM 759 CD PRO A 50 7.321 6.478 -9.365 1.00 1.21 C ATOM 0 HA PRO A 50 8.540 7.024 -6.459 1.00 0.87 H new ATOM 0 HB2 PRO A 50 10.336 5.794 -8.137 1.00 1.16 H new ATOM 0 HB3 PRO A 50 8.890 4.941 -7.635 1.00 1.16 H new ATOM 0 HG2 PRO A 50 9.328 6.526 -10.226 1.00 1.33 H new ATOM 0 HG3 PRO A 50 8.674 4.909 -10.056 1.00 1.33 H new ATOM 0 HD2 PRO A 50 6.980 7.018 -10.248 1.00 1.21 H new ATOM 0 HD3 PRO A 50 6.593 5.690 -9.172 1.00 1.21 H new ATOM 767 N GLU A 51 9.334 9.448 -7.140 1.00 0.86 N ATOM 768 CA GLU A 51 10.250 10.564 -6.921 1.00 0.99 C ATOM 769 C GLU A 51 9.711 11.530 -5.865 1.00 1.06 C ATOM 770 O GLU A 51 10.462 11.990 -5.007 1.00 1.58 O ATOM 771 CB GLU A 51 10.628 11.272 -8.233 1.00 1.23 C ATOM 772 CG GLU A 51 9.447 11.774 -9.072 1.00 1.79 C ATOM 773 CD GLU A 51 9.956 12.603 -10.246 1.00 2.72 C ATOM 774 OE1 GLU A 51 10.514 11.988 -11.181 1.00 2.90 O ATOM 775 OE2 GLU A 51 9.828 13.844 -10.163 1.00 4.17 O ATOM 0 H GLU A 51 8.372 9.654 -6.870 1.00 0.86 H new ATOM 0 HA GLU A 51 11.178 10.150 -6.526 1.00 0.99 H new ATOM 0 HB2 GLU A 51 11.271 12.120 -7.997 1.00 1.23 H new ATOM 0 HB3 GLU A 51 11.217 10.585 -8.840 1.00 1.23 H new ATOM 0 HG2 GLU A 51 8.865 10.928 -9.439 1.00 1.79 H new ATOM 0 HG3 GLU A 51 8.781 12.375 -8.454 1.00 1.79 H new ATOM 782 N ILE A 52 8.403 11.801 -5.881 1.00 0.98 N ATOM 783 CA ILE A 52 7.747 12.615 -4.873 1.00 1.13 C ATOM 784 C ILE A 52 7.565 11.816 -3.585 1.00 1.01 C ATOM 785 O ILE A 52 7.258 12.390 -2.542 1.00 1.31 O ATOM 786 CB ILE A 52 6.413 13.166 -5.408 1.00 1.31 C ATOM 787 CG1 ILE A 52 5.493 12.068 -5.966 1.00 1.69 C ATOM 788 CG2 ILE A 52 6.700 14.211 -6.492 1.00 1.89 C ATOM 789 CD1 ILE A 52 4.088 12.606 -6.260 1.00 2.26 C ATOM 0 H ILE A 52 7.771 11.455 -6.603 1.00 0.98 H new ATOM 0 HA ILE A 52 8.378 13.473 -4.639 1.00 1.13 H new ATOM 0 HB ILE A 52 5.884 13.619 -4.569 1.00 1.31 H new ATOM 0 HG12 ILE A 52 5.925 11.659 -6.879 1.00 1.69 H new ATOM 0 HG13 ILE A 52 5.427 11.249 -5.250 1.00 1.69 H new ATOM 0 HG21 ILE A 52 5.759 14.605 -6.875 1.00 1.89 H new ATOM 0 HG22 ILE A 52 7.288 15.024 -6.067 1.00 1.89 H new ATOM 0 HG23 ILE A 52 7.257 13.747 -7.306 1.00 1.89 H new ATOM 0 HD11 ILE A 52 3.465 11.802 -6.653 1.00 2.26 H new ATOM 0 HD12 ILE A 52 3.646 12.991 -5.341 1.00 2.26 H new ATOM 0 HD13 ILE A 52 4.152 13.408 -6.995 1.00 2.26 H new ATOM 801 N ILE A 53 7.751 10.494 -3.650 1.00 0.78 N ATOM 802 CA ILE A 53 7.697 9.623 -2.499 1.00 0.69 C ATOM 803 C ILE A 53 8.642 8.450 -2.748 1.00 0.87 C ATOM 804 O ILE A 53 8.767 8.005 -3.890 1.00 2.20 O ATOM 805 CB ILE A 53 6.234 9.196 -2.281 1.00 0.64 C ATOM 806 CG1 ILE A 53 6.067 8.705 -0.849 1.00 1.06 C ATOM 807 CG2 ILE A 53 5.778 8.128 -3.285 1.00 0.80 C ATOM 808 CD1 ILE A 53 4.609 8.666 -0.388 1.00 1.32 C ATOM 0 H ILE A 53 7.946 10.003 -4.523 1.00 0.78 H new ATOM 0 HA ILE A 53 8.025 10.117 -1.585 1.00 0.69 H new ATOM 0 HB ILE A 53 5.597 10.064 -2.450 1.00 0.64 H new ATOM 0 HG12 ILE A 53 6.495 7.706 -0.763 1.00 1.06 H new ATOM 0 HG13 ILE A 53 6.634 9.354 -0.182 1.00 1.06 H new ATOM 0 HG21 ILE A 53 4.740 7.862 -3.087 1.00 0.80 H new ATOM 0 HG22 ILE A 53 5.866 8.520 -4.298 1.00 0.80 H new ATOM 0 HG23 ILE A 53 6.405 7.242 -3.183 1.00 0.80 H new ATOM 0 HD11 ILE A 53 4.562 8.307 0.640 1.00 1.32 H new ATOM 0 HD12 ILE A 53 4.183 9.668 -0.443 1.00 1.32 H new ATOM 0 HD13 ILE A 53 4.041 7.995 -1.033 1.00 1.32 H new ATOM 820 N GLY A 54 9.307 7.948 -1.707 1.00 1.06 N ATOM 821 CA GLY A 54 10.065 6.716 -1.796 1.00 0.85 C ATOM 822 C GLY A 54 9.128 5.551 -1.475 1.00 0.66 C ATOM 823 O GLY A 54 8.220 5.702 -0.659 1.00 0.82 O ATOM 0 H GLY A 54 9.331 8.387 -0.787 1.00 1.06 H new ATOM 0 HA2 GLY A 54 10.486 6.601 -2.795 1.00 0.85 H new ATOM 0 HA3 GLY A 54 10.902 6.734 -1.098 1.00 0.85 H new ATOM 827 N PRO A 55 9.340 4.363 -2.062 1.00 0.51 N ATOM 828 CA PRO A 55 8.507 3.208 -1.762 1.00 0.55 C ATOM 829 C PRO A 55 8.551 2.916 -0.259 1.00 0.54 C ATOM 830 O PRO A 55 7.520 2.700 0.377 1.00 0.53 O ATOM 831 CB PRO A 55 9.048 2.063 -2.624 1.00 0.72 C ATOM 832 CG PRO A 55 10.459 2.499 -3.035 1.00 0.69 C ATOM 833 CD PRO A 55 10.459 4.024 -2.923 1.00 0.54 C ATOM 0 HA PRO A 55 7.454 3.367 -1.996 1.00 0.55 H new ATOM 0 HB2 PRO A 55 9.072 1.127 -2.065 1.00 0.72 H new ATOM 0 HB3 PRO A 55 8.418 1.896 -3.497 1.00 0.72 H new ATOM 0 HG2 PRO A 55 11.213 2.057 -2.383 1.00 0.69 H new ATOM 0 HG3 PRO A 55 10.689 2.179 -4.051 1.00 0.69 H new ATOM 0 HD2 PRO A 55 11.398 4.384 -2.502 1.00 0.54 H new ATOM 0 HD3 PRO A 55 10.351 4.487 -3.904 1.00 0.54 H new ATOM 841 N ARG A 56 9.759 2.995 0.309 1.00 0.64 N ATOM 842 CA ARG A 56 10.014 2.985 1.742 1.00 0.75 C ATOM 843 C ARG A 56 8.986 3.793 2.545 1.00 0.65 C ATOM 844 O ARG A 56 8.562 3.339 3.601 1.00 0.64 O ATOM 845 CB ARG A 56 11.468 3.418 2.021 1.00 1.04 C ATOM 846 CG ARG A 56 11.870 4.788 1.444 1.00 2.60 C ATOM 847 CD ARG A 56 11.690 5.953 2.425 1.00 3.89 C ATOM 848 NE ARG A 56 12.784 6.046 3.400 1.00 4.69 N ATOM 849 CZ ARG A 56 12.900 7.037 4.302 1.00 6.26 C ATOM 850 NH1 ARG A 56 11.959 7.979 4.402 1.00 7.21 N ATOM 851 NH2 ARG A 56 13.966 7.075 5.110 1.00 7.31 N ATOM 0 H ARG A 56 10.614 3.070 -0.243 1.00 0.64 H new ATOM 0 HA ARG A 56 9.891 1.961 2.095 1.00 0.75 H new ATOM 0 HB2 ARG A 56 11.623 3.437 3.100 1.00 1.04 H new ATOM 0 HB3 ARG A 56 12.139 2.661 1.616 1.00 1.04 H new ATOM 0 HG2 ARG A 56 12.913 4.747 1.131 1.00 2.60 H new ATOM 0 HG3 ARG A 56 11.277 4.983 0.551 1.00 2.60 H new ATOM 0 HD2 ARG A 56 11.626 6.887 1.866 1.00 3.89 H new ATOM 0 HD3 ARG A 56 10.745 5.834 2.955 1.00 3.89 H new ATOM 0 HE ARG A 56 13.497 5.317 3.393 1.00 4.69 H new ATOM 0 HH11 ARG A 56 11.143 7.951 3.791 1.00 7.21 H new ATOM 0 HH12 ARG A 56 12.056 8.726 5.089 1.00 7.21 H new ATOM 0 HH21 ARG A 56 14.685 6.355 5.040 1.00 7.31 H new ATOM 0 HH22 ARG A 56 14.060 7.824 5.796 1.00 7.31 H new ATOM 865 N ASP A 57 8.581 4.981 2.081 1.00 0.63 N ATOM 866 CA ASP A 57 7.687 5.844 2.847 1.00 0.63 C ATOM 867 C ASP A 57 6.299 5.214 2.912 1.00 0.51 C ATOM 868 O ASP A 57 5.649 5.222 3.960 1.00 0.47 O ATOM 869 CB ASP A 57 7.601 7.243 2.225 1.00 0.74 C ATOM 870 CG ASP A 57 8.949 7.931 2.102 1.00 2.14 C ATOM 871 OD1 ASP A 57 9.636 8.032 3.144 1.00 3.32 O ATOM 872 OD2 ASP A 57 9.301 8.309 0.964 1.00 2.94 O ATOM 0 H ASP A 57 8.861 5.363 1.178 1.00 0.63 H new ATOM 0 HA ASP A 57 8.088 5.948 3.855 1.00 0.63 H new ATOM 0 HB2 ASP A 57 7.149 7.166 1.236 1.00 0.74 H new ATOM 0 HB3 ASP A 57 6.939 7.862 2.831 1.00 0.74 H new ATOM 877 N ILE A 58 5.845 4.656 1.787 1.00 0.48 N ATOM 878 CA ILE A 58 4.575 3.953 1.743 1.00 0.41 C ATOM 879 C ILE A 58 4.665 2.739 2.658 1.00 0.39 C ATOM 880 O ILE A 58 3.791 2.566 3.501 1.00 0.37 O ATOM 881 CB ILE A 58 4.201 3.601 0.296 1.00 0.41 C ATOM 882 CG1 ILE A 58 3.771 4.879 -0.439 1.00 0.52 C ATOM 883 CG2 ILE A 58 3.061 2.583 0.234 1.00 0.43 C ATOM 884 CD1 ILE A 58 4.179 4.812 -1.908 1.00 0.68 C ATOM 0 H ILE A 58 6.344 4.681 0.897 1.00 0.48 H new ATOM 0 HA ILE A 58 3.767 4.588 2.107 1.00 0.41 H new ATOM 0 HB ILE A 58 5.077 3.158 -0.178 1.00 0.41 H new ATOM 0 HG12 ILE A 58 2.691 5.005 -0.361 1.00 0.52 H new ATOM 0 HG13 ILE A 58 4.229 5.749 0.033 1.00 0.52 H new ATOM 0 HG21 ILE A 58 2.827 2.361 -0.807 1.00 0.43 H new ATOM 0 HG22 ILE A 58 3.363 1.667 0.741 1.00 0.43 H new ATOM 0 HG23 ILE A 58 2.179 2.995 0.724 1.00 0.43 H new ATOM 0 HD11 ILE A 58 3.867 5.725 -2.414 1.00 0.68 H new ATOM 0 HD12 ILE A 58 5.262 4.709 -1.981 1.00 0.68 H new ATOM 0 HD13 ILE A 58 3.700 3.954 -2.380 1.00 0.68 H new ATOM 896 N ILE A 59 5.727 1.933 2.528 1.00 0.45 N ATOM 897 CA ILE A 59 5.941 0.790 3.422 1.00 0.49 C ATOM 898 C ILE A 59 5.811 1.240 4.886 1.00 0.48 C ATOM 899 O ILE A 59 4.960 0.726 5.612 1.00 0.46 O ATOM 900 CB ILE A 59 7.273 0.062 3.120 1.00 0.60 C ATOM 901 CG1 ILE A 59 7.106 -1.005 2.020 1.00 0.93 C ATOM 902 CG2 ILE A 59 7.828 -0.673 4.352 1.00 0.88 C ATOM 903 CD1 ILE A 59 6.844 -0.436 0.626 1.00 1.56 C ATOM 0 H ILE A 59 6.447 2.051 1.816 1.00 0.45 H new ATOM 0 HA ILE A 59 5.164 0.048 3.240 1.00 0.49 H new ATOM 0 HB ILE A 59 7.957 0.849 2.802 1.00 0.60 H new ATOM 0 HG12 ILE A 59 8.006 -1.619 1.986 1.00 0.93 H new ATOM 0 HG13 ILE A 59 6.281 -1.664 2.292 1.00 0.93 H new ATOM 0 HG21 ILE A 59 8.763 -1.168 4.090 1.00 0.88 H new ATOM 0 HG22 ILE A 59 8.009 0.044 5.153 1.00 0.88 H new ATOM 0 HG23 ILE A 59 7.106 -1.417 4.688 1.00 0.88 H new ATOM 0 HD11 ILE A 59 6.739 -1.254 -0.087 1.00 1.56 H new ATOM 0 HD12 ILE A 59 5.927 0.153 0.640 1.00 1.56 H new ATOM 0 HD13 ILE A 59 7.679 0.199 0.329 1.00 1.56 H new ATOM 915 N HIS A 60 6.612 2.229 5.300 1.00 0.55 N ATOM 916 CA HIS A 60 6.588 2.755 6.656 1.00 0.59 C ATOM 917 C HIS A 60 5.166 3.120 7.050 1.00 0.50 C ATOM 918 O HIS A 60 4.694 2.697 8.102 1.00 0.50 O ATOM 919 CB HIS A 60 7.486 3.994 6.788 1.00 0.71 C ATOM 920 CG HIS A 60 8.959 3.733 6.626 1.00 1.35 C ATOM 921 ND1 HIS A 60 9.836 4.502 5.895 1.00 2.33 N ATOM 922 CD2 HIS A 60 9.685 2.756 7.253 1.00 1.53 C ATOM 923 CE1 HIS A 60 11.061 3.980 6.060 1.00 3.04 C ATOM 924 NE2 HIS A 60 11.025 2.921 6.883 1.00 2.56 N ATOM 0 H HIS A 60 7.296 2.684 4.695 1.00 0.55 H new ATOM 0 HA HIS A 60 6.967 1.979 7.321 1.00 0.59 H new ATOM 0 HB2 HIS A 60 7.178 4.728 6.043 1.00 0.71 H new ATOM 0 HB3 HIS A 60 7.318 4.443 7.767 1.00 0.71 H new ATOM 0 HD2 HIS A 60 9.295 1.996 7.913 1.00 1.53 H new ATOM 0 HE1 HIS A 60 11.957 4.362 5.593 1.00 3.04 H new ATOM 0 HE2 HIS A 60 11.816 2.350 7.180 1.00 2.56 H new ATOM 932 N THR A 61 4.484 3.910 6.213 1.00 0.49 N ATOM 933 CA THR A 61 3.146 4.362 6.548 1.00 0.52 C ATOM 934 C THR A 61 2.224 3.161 6.757 1.00 0.44 C ATOM 935 O THR A 61 1.578 3.067 7.796 1.00 0.46 O ATOM 936 CB THR A 61 2.613 5.331 5.486 1.00 0.64 C ATOM 937 OG1 THR A 61 3.527 6.395 5.319 1.00 0.81 O ATOM 938 CG2 THR A 61 1.269 5.910 5.944 1.00 0.72 C ATOM 0 H THR A 61 4.837 4.241 5.315 1.00 0.49 H new ATOM 0 HA THR A 61 3.181 4.917 7.486 1.00 0.52 H new ATOM 0 HB THR A 61 2.486 4.794 4.546 1.00 0.64 H new ATOM 0 HG1 THR A 61 4.307 6.080 4.816 1.00 0.81 H new ATOM 0 HG21 THR A 61 0.893 6.598 5.187 1.00 0.72 H new ATOM 0 HG22 THR A 61 0.553 5.100 6.086 1.00 0.72 H new ATOM 0 HG23 THR A 61 1.404 6.444 6.885 1.00 0.72 H new ATOM 946 N ILE A 62 2.178 2.247 5.786 1.00 0.46 N ATOM 947 CA ILE A 62 1.357 1.045 5.841 1.00 0.54 C ATOM 948 C ILE A 62 1.595 0.312 7.150 1.00 0.57 C ATOM 949 O ILE A 62 0.662 0.131 7.931 1.00 0.69 O ATOM 950 CB ILE A 62 1.638 0.156 4.618 1.00 0.55 C ATOM 951 CG1 ILE A 62 1.021 0.843 3.396 1.00 0.59 C ATOM 952 CG2 ILE A 62 1.059 -1.258 4.766 1.00 0.60 C ATOM 953 CD1 ILE A 62 1.236 0.041 2.117 1.00 0.75 C ATOM 0 H ILE A 62 2.721 2.327 4.926 1.00 0.46 H new ATOM 0 HA ILE A 62 0.303 1.320 5.807 1.00 0.54 H new ATOM 0 HB ILE A 62 2.716 0.038 4.513 1.00 0.55 H new ATOM 0 HG12 ILE A 62 -0.047 0.983 3.560 1.00 0.59 H new ATOM 0 HG13 ILE A 62 1.458 1.835 3.279 1.00 0.59 H new ATOM 0 HG21 ILE A 62 1.288 -1.840 3.873 1.00 0.60 H new ATOM 0 HG22 ILE A 62 1.499 -1.742 5.638 1.00 0.60 H new ATOM 0 HG23 ILE A 62 -0.022 -1.197 4.892 1.00 0.60 H new ATOM 0 HD11 ILE A 62 0.782 0.567 1.277 1.00 0.75 H new ATOM 0 HD12 ILE A 62 2.305 -0.076 1.936 1.00 0.75 H new ATOM 0 HD13 ILE A 62 0.776 -0.941 2.222 1.00 0.75 H new ATOM 965 N GLU A 63 2.833 -0.113 7.395 1.00 0.56 N ATOM 966 CA GLU A 63 3.134 -0.878 8.591 1.00 0.71 C ATOM 967 C GLU A 63 2.710 -0.090 9.830 1.00 0.63 C ATOM 968 O GLU A 63 2.027 -0.620 10.707 1.00 0.68 O ATOM 969 CB GLU A 63 4.613 -1.269 8.599 1.00 0.87 C ATOM 970 CG GLU A 63 4.905 -2.175 7.396 1.00 1.87 C ATOM 971 CD GLU A 63 6.323 -2.716 7.426 1.00 2.61 C ATOM 972 OE1 GLU A 63 7.249 -1.886 7.544 1.00 2.69 O ATOM 973 OE2 GLU A 63 6.443 -3.954 7.308 1.00 3.87 O ATOM 0 H GLU A 63 3.632 0.060 6.785 1.00 0.56 H new ATOM 0 HA GLU A 63 2.565 -1.808 8.601 1.00 0.71 H new ATOM 0 HB2 GLU A 63 5.237 -0.376 8.556 1.00 0.87 H new ATOM 0 HB3 GLU A 63 4.859 -1.786 9.526 1.00 0.87 H new ATOM 0 HG2 GLU A 63 4.200 -3.006 7.388 1.00 1.87 H new ATOM 0 HG3 GLU A 63 4.749 -1.615 6.474 1.00 1.87 H new ATOM 980 N SER A 64 3.049 1.202 9.838 1.00 0.58 N ATOM 981 CA SER A 64 2.717 2.142 10.893 1.00 0.60 C ATOM 982 C SER A 64 1.209 2.371 11.084 1.00 0.67 C ATOM 983 O SER A 64 0.858 3.021 12.070 1.00 1.11 O ATOM 984 CB SER A 64 3.487 3.454 10.679 1.00 0.57 C ATOM 985 OG SER A 64 3.262 4.357 11.748 1.00 0.67 O ATOM 0 H SER A 64 3.581 1.630 9.080 1.00 0.58 H new ATOM 0 HA SER A 64 3.035 1.692 11.833 1.00 0.60 H new ATOM 0 HB2 SER A 64 4.553 3.244 10.594 1.00 0.57 H new ATOM 0 HB3 SER A 64 3.177 3.912 9.740 1.00 0.57 H new ATOM 0 HG SER A 64 2.407 4.147 12.179 1.00 0.67 H new ATOM 991 N LEU A 65 0.312 1.884 10.211 1.00 0.49 N ATOM 992 CA LEU A 65 -1.060 1.643 10.646 1.00 0.45 C ATOM 993 C LEU A 65 -1.040 0.468 11.632 1.00 0.48 C ATOM 994 O LEU A 65 -0.988 0.685 12.839 1.00 1.03 O ATOM 995 CB LEU A 65 -2.030 1.384 9.475 1.00 0.72 C ATOM 996 CG LEU A 65 -2.517 2.611 8.685 1.00 1.06 C ATOM 997 CD1 LEU A 65 -3.219 3.642 9.574 1.00 2.54 C ATOM 998 CD2 LEU A 65 -1.401 3.293 7.899 1.00 1.91 C ATOM 0 H LEU A 65 0.508 1.658 9.236 1.00 0.49 H new ATOM 0 HA LEU A 65 -1.439 2.542 11.131 1.00 0.45 H new ATOM 0 HB2 LEU A 65 -1.543 0.703 8.777 1.00 0.72 H new ATOM 0 HB3 LEU A 65 -2.905 0.866 9.868 1.00 0.72 H new ATOM 0 HG LEU A 65 -3.242 2.215 7.974 1.00 1.06 H new ATOM 0 HD11 LEU A 65 -3.542 4.487 8.966 1.00 2.54 H new ATOM 0 HD12 LEU A 65 -4.087 3.183 10.048 1.00 2.54 H new ATOM 0 HD13 LEU A 65 -2.528 3.991 10.342 1.00 2.54 H new ATOM 0 HD21 LEU A 65 -1.806 4.151 7.363 1.00 1.91 H new ATOM 0 HD22 LEU A 65 -0.624 3.628 8.586 1.00 1.91 H new ATOM 0 HD23 LEU A 65 -0.975 2.587 7.186 1.00 1.91 H new ATOM 1010 N GLY A 66 -1.126 -0.773 11.141 1.00 0.60 N ATOM 1011 CA GLY A 66 -0.989 -1.940 12.000 1.00 0.68 C ATOM 1012 C GLY A 66 -0.614 -3.193 11.218 1.00 0.71 C ATOM 1013 O GLY A 66 -1.200 -4.245 11.467 1.00 1.22 O ATOM 0 H GLY A 66 -1.289 -0.988 10.157 1.00 0.60 H new ATOM 0 HA2 GLY A 66 -0.228 -1.745 12.756 1.00 0.68 H new ATOM 0 HA3 GLY A 66 -1.927 -2.111 12.529 1.00 0.68 H new ATOM 1017 N PHE A 67 0.312 -3.089 10.259 1.00 0.57 N ATOM 1018 CA PHE A 67 0.601 -4.188 9.334 1.00 0.49 C ATOM 1019 C PHE A 67 2.081 -4.560 9.297 1.00 0.75 C ATOM 1020 O PHE A 67 2.925 -3.858 9.847 1.00 1.50 O ATOM 1021 CB PHE A 67 0.080 -3.826 7.932 1.00 0.55 C ATOM 1022 CG PHE A 67 -1.376 -3.400 7.916 1.00 0.45 C ATOM 1023 CD1 PHE A 67 -2.343 -4.227 8.514 1.00 1.67 C ATOM 1024 CD2 PHE A 67 -1.729 -2.100 7.508 1.00 1.93 C ATOM 1025 CE1 PHE A 67 -3.609 -3.712 8.834 1.00 1.71 C ATOM 1026 CE2 PHE A 67 -3.014 -1.603 7.778 1.00 1.90 C ATOM 1027 CZ PHE A 67 -3.938 -2.395 8.477 1.00 0.44 C ATOM 0 H PHE A 67 0.875 -2.253 10.104 1.00 0.57 H new ATOM 0 HA PHE A 67 0.082 -5.075 9.698 1.00 0.49 H new ATOM 0 HB2 PHE A 67 0.690 -3.020 7.524 1.00 0.55 H new ATOM 0 HB3 PHE A 67 0.206 -4.686 7.274 1.00 0.55 H new ATOM 0 HD1 PHE A 67 -2.111 -5.260 8.727 1.00 1.67 H new ATOM 0 HD2 PHE A 67 -1.011 -1.484 6.987 1.00 1.93 H new ATOM 0 HE1 PHE A 67 -4.328 -4.328 9.354 1.00 1.71 H new ATOM 0 HE2 PHE A 67 -3.291 -0.613 7.448 1.00 1.90 H new ATOM 0 HZ PHE A 67 -4.904 -1.990 8.741 1.00 0.44 H new ATOM 1037 N GLU A 68 2.367 -5.673 8.620 1.00 0.43 N ATOM 1038 CA GLU A 68 3.691 -6.122 8.218 1.00 0.49 C ATOM 1039 C GLU A 68 3.648 -6.136 6.687 1.00 0.51 C ATOM 1040 O GLU A 68 2.757 -6.770 6.117 1.00 0.90 O ATOM 1041 CB GLU A 68 3.918 -7.514 8.829 1.00 0.75 C ATOM 1042 CG GLU A 68 5.127 -8.285 8.272 1.00 1.68 C ATOM 1043 CD GLU A 68 5.032 -9.782 8.553 1.00 2.37 C ATOM 1044 OE1 GLU A 68 4.267 -10.165 9.461 1.00 2.88 O ATOM 1045 OE2 GLU A 68 5.680 -10.538 7.796 1.00 3.45 O ATOM 0 H GLU A 68 1.635 -6.319 8.323 1.00 0.43 H new ATOM 0 HA GLU A 68 4.513 -5.492 8.557 1.00 0.49 H new ATOM 0 HB2 GLU A 68 4.042 -7.404 9.906 1.00 0.75 H new ATOM 0 HB3 GLU A 68 3.021 -8.113 8.671 1.00 0.75 H new ATOM 0 HG2 GLU A 68 5.196 -8.122 7.196 1.00 1.68 H new ATOM 0 HG3 GLU A 68 6.042 -7.891 8.714 1.00 1.68 H new ATOM 1052 N ALA A 69 4.541 -5.402 6.019 1.00 0.60 N ATOM 1053 CA ALA A 69 4.500 -5.192 4.577 1.00 0.70 C ATOM 1054 C ALA A 69 5.698 -5.848 3.892 1.00 0.72 C ATOM 1055 O ALA A 69 6.747 -6.052 4.501 1.00 1.04 O ATOM 1056 CB ALA A 69 4.474 -3.690 4.281 1.00 0.95 C ATOM 0 H ALA A 69 5.323 -4.932 6.475 1.00 0.60 H new ATOM 0 HA ALA A 69 3.596 -5.655 4.182 1.00 0.70 H new ATOM 0 HB1 ALA A 69 4.443 -3.532 3.203 1.00 0.95 H new ATOM 0 HB2 ALA A 69 3.591 -3.244 4.738 1.00 0.95 H new ATOM 0 HB3 ALA A 69 5.370 -3.223 4.691 1.00 0.95 H new ATOM 1062 N SER A 70 5.558 -6.194 2.611 1.00 0.61 N ATOM 1063 CA SER A 70 6.673 -6.676 1.803 1.00 0.68 C ATOM 1064 C SER A 70 6.397 -6.437 0.320 1.00 0.63 C ATOM 1065 O SER A 70 5.404 -6.934 -0.192 1.00 0.61 O ATOM 1066 CB SER A 70 6.900 -8.162 2.097 1.00 0.82 C ATOM 1067 OG SER A 70 7.723 -8.307 3.237 1.00 1.55 O ATOM 0 H SER A 70 4.671 -6.147 2.109 1.00 0.61 H new ATOM 0 HA SER A 70 7.579 -6.127 2.059 1.00 0.68 H new ATOM 0 HB2 SER A 70 5.944 -8.659 2.262 1.00 0.82 H new ATOM 0 HB3 SER A 70 7.366 -8.645 1.238 1.00 0.82 H new ATOM 0 HG SER A 70 7.544 -7.576 3.865 1.00 1.55 H new ATOM 1073 N LEU A 71 7.258 -5.689 -0.376 1.00 0.71 N ATOM 1074 CA LEU A 71 7.195 -5.485 -1.815 1.00 0.72 C ATOM 1075 C LEU A 71 7.276 -6.831 -2.543 1.00 0.71 C ATOM 1076 O LEU A 71 8.182 -7.616 -2.272 1.00 1.17 O ATOM 1077 CB LEU A 71 8.350 -4.536 -2.182 1.00 0.95 C ATOM 1078 CG LEU A 71 8.174 -3.871 -3.550 1.00 1.91 C ATOM 1079 CD1 LEU A 71 8.830 -2.484 -3.556 1.00 2.31 C ATOM 1080 CD2 LEU A 71 8.758 -4.708 -4.694 1.00 3.73 C ATOM 0 H LEU A 71 8.037 -5.198 0.063 1.00 0.71 H new ATOM 0 HA LEU A 71 6.250 -5.036 -2.123 1.00 0.72 H new ATOM 0 HB2 LEU A 71 8.433 -3.763 -1.418 1.00 0.95 H new ATOM 0 HB3 LEU A 71 9.286 -5.094 -2.174 1.00 0.95 H new ATOM 0 HG LEU A 71 7.100 -3.782 -3.717 1.00 1.91 H new ATOM 0 HD11 LEU A 71 8.697 -2.023 -4.535 1.00 2.31 H new ATOM 0 HD12 LEU A 71 8.365 -1.858 -2.794 1.00 2.31 H new ATOM 0 HD13 LEU A 71 9.894 -2.584 -3.344 1.00 2.31 H new ATOM 0 HD21 LEU A 71 8.605 -4.188 -5.640 1.00 3.73 H new ATOM 0 HD22 LEU A 71 9.825 -4.855 -4.529 1.00 3.73 H new ATOM 0 HD23 LEU A 71 8.259 -5.677 -4.727 1.00 3.73 H new ATOM 1092 N VAL A 72 6.335 -7.090 -3.455 1.00 0.76 N ATOM 1093 CA VAL A 72 6.257 -8.292 -4.273 1.00 0.80 C ATOM 1094 C VAL A 72 6.373 -7.913 -5.752 1.00 1.01 C ATOM 1095 O VAL A 72 6.141 -6.766 -6.138 1.00 2.37 O ATOM 1096 CB VAL A 72 4.958 -9.057 -3.973 1.00 0.89 C ATOM 1097 CG1 VAL A 72 4.893 -9.470 -2.502 1.00 1.05 C ATOM 1098 CG2 VAL A 72 3.684 -8.287 -4.351 1.00 1.10 C ATOM 0 H VAL A 72 5.576 -6.436 -3.648 1.00 0.76 H new ATOM 0 HA VAL A 72 7.085 -8.958 -4.031 1.00 0.80 H new ATOM 0 HB VAL A 72 4.991 -9.944 -4.606 1.00 0.89 H new ATOM 0 HG11 VAL A 72 3.964 -10.010 -2.316 1.00 1.05 H new ATOM 0 HG12 VAL A 72 5.740 -10.114 -2.267 1.00 1.05 H new ATOM 0 HG13 VAL A 72 4.928 -8.581 -1.873 1.00 1.05 H new ATOM 0 HG21 VAL A 72 2.809 -8.891 -4.110 1.00 1.10 H new ATOM 0 HG22 VAL A 72 3.645 -7.352 -3.792 1.00 1.10 H new ATOM 0 HG23 VAL A 72 3.693 -8.071 -5.419 1.00 1.10 H new ATOM 1108 N LYS A 73 6.763 -8.861 -6.603 1.00 1.57 N ATOM 1109 CA LYS A 73 6.991 -8.610 -8.016 1.00 1.89 C ATOM 1110 C LYS A 73 5.676 -8.778 -8.768 1.00 2.05 C ATOM 1111 O LYS A 73 5.464 -9.746 -9.493 1.00 3.06 O ATOM 1112 CB LYS A 73 8.136 -9.492 -8.525 1.00 3.09 C ATOM 1113 CG LYS A 73 9.416 -9.303 -7.688 1.00 4.09 C ATOM 1114 CD LYS A 73 9.827 -7.836 -7.444 1.00 4.07 C ATOM 1115 CE LYS A 73 10.105 -7.082 -8.754 1.00 4.20 C ATOM 1116 NZ LYS A 73 10.395 -5.653 -8.511 1.00 5.00 N ATOM 0 H LYS A 73 6.929 -9.828 -6.325 1.00 1.57 H new ATOM 0 HA LYS A 73 7.316 -7.585 -8.191 1.00 1.89 H new ATOM 0 HB2 LYS A 73 7.831 -10.538 -8.493 1.00 3.09 H new ATOM 0 HB3 LYS A 73 8.344 -9.252 -9.568 1.00 3.09 H new ATOM 0 HG2 LYS A 73 9.276 -9.790 -6.723 1.00 4.09 H new ATOM 0 HG3 LYS A 73 10.238 -9.816 -8.188 1.00 4.09 H new ATOM 0 HD2 LYS A 73 9.036 -7.326 -6.895 1.00 4.07 H new ATOM 0 HD3 LYS A 73 10.718 -7.810 -6.817 1.00 4.07 H new ATOM 0 HE2 LYS A 73 10.949 -7.543 -9.267 1.00 4.20 H new ATOM 0 HE3 LYS A 73 9.243 -7.171 -9.415 1.00 4.20 H new ATOM 0 HZ1 LYS A 73 10.577 -5.177 -9.417 1.00 5.00 H new ATOM 0 HZ2 LYS A 73 9.579 -5.208 -8.044 1.00 5.00 H new ATOM 0 HZ3 LYS A 73 11.233 -5.568 -7.900 1.00 5.00 H new ATOM 1130 N ILE A 74 4.797 -7.796 -8.570 1.00 2.26 N ATOM 1131 CA ILE A 74 3.417 -7.781 -9.032 1.00 3.60 C ATOM 1132 C ILE A 74 2.596 -8.728 -8.160 1.00 5.12 C ATOM 1133 O ILE A 74 1.813 -8.239 -7.354 1.00 6.53 O ATOM 1134 CB ILE A 74 3.266 -8.021 -10.552 1.00 3.90 C ATOM 1135 CG1 ILE A 74 4.171 -7.101 -11.395 1.00 4.28 C ATOM 1136 CG2 ILE A 74 1.797 -7.864 -10.975 1.00 5.31 C ATOM 1137 CD1 ILE A 74 3.974 -5.601 -11.144 1.00 4.81 C ATOM 0 H ILE A 74 5.044 -6.950 -8.057 1.00 2.26 H new ATOM 0 HA ILE A 74 3.016 -6.775 -8.911 1.00 3.60 H new ATOM 0 HB ILE A 74 3.591 -9.044 -10.745 1.00 3.90 H new ATOM 0 HG12 ILE A 74 5.212 -7.355 -11.194 1.00 4.28 H new ATOM 0 HG13 ILE A 74 3.991 -7.305 -12.450 1.00 4.28 H new ATOM 0 HG21 ILE A 74 1.707 -8.036 -12.048 1.00 5.31 H new ATOM 0 HG22 ILE A 74 1.184 -8.589 -10.439 1.00 5.31 H new ATOM 0 HG23 ILE A 74 1.456 -6.856 -10.739 1.00 5.31 H new ATOM 0 HD11 ILE A 74 4.652 -5.033 -11.781 1.00 4.81 H new ATOM 0 HD12 ILE A 74 2.945 -5.326 -11.374 1.00 4.81 H new ATOM 0 HD13 ILE A 74 4.185 -5.376 -10.098 1.00 4.81 H new ATOM 1149 N GLU A 75 2.821 -10.042 -8.298 1.00 5.58 N ATOM 1150 CA GLU A 75 2.206 -11.124 -7.521 1.00 7.55 C ATOM 1151 C GLU A 75 0.838 -10.720 -6.946 1.00 8.83 C ATOM 1152 O GLU A 75 -0.133 -10.608 -7.730 1.00 9.57 O ATOM 1153 CB GLU A 75 3.183 -11.570 -6.422 1.00 8.23 C ATOM 1154 CG GLU A 75 4.527 -12.089 -6.969 1.00 8.04 C ATOM 1155 CD GLU A 75 5.576 -12.241 -5.873 1.00 8.94 C ATOM 1156 OE1 GLU A 75 5.380 -13.123 -5.013 1.00 10.03 O ATOM 1157 OE2 GLU A 75 6.550 -11.453 -5.906 1.00 8.92 O ATOM 1158 OXT GLU A 75 0.772 -10.348 -5.751 1.00 9.45 O ATOM 0 H GLU A 75 3.475 -10.397 -8.995 1.00 5.58 H new ATOM 0 HA GLU A 75 2.010 -11.966 -8.185 1.00 7.55 H new ATOM 0 HB2 GLU A 75 3.372 -10.731 -5.752 1.00 8.23 H new ATOM 0 HB3 GLU A 75 2.715 -12.354 -5.827 1.00 8.23 H new ATOM 0 HG2 GLU A 75 4.371 -13.051 -7.456 1.00 8.04 H new ATOM 0 HG3 GLU A 75 4.897 -11.402 -7.730 1.00 8.04 H new TER 1165 GLU A 75