USER MOD reduce.3.24.130724 H: found=0, std=0, add=1143, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1139 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 76 SER OG : rot -78:sc= 0.612 USER MOD Set 1.2: A 79 GLN : amide:sc= -2.27! C(o=-1.7!,f=-1.9!) USER MOD Set 2.1: A 30 ASN : amide:sc= -10.5! C(o=-15!,f=-10!) USER MOD Set 2.2: A 34 ASN : amide:sc= -4.37! C(o=-15!,f=-16!) USER MOD Single : A 1 ARG N :NH3+ 143:sc= -0.053 (180deg=-0.85) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0118 USER MOD Single : A 13 HIS : no HD1:sc= -0.242 X(o=-0.24,f=-0.4) USER MOD Single : A 17 LYS NZ :NH3+ -137:sc= -2.18 (180deg=-5.93!) USER MOD Single : A 19 ASN : amide:sc= -8.03! C(o=-8!,f=-21!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -166:sc= -0.0259 (180deg=-0.366) USER MOD Single : A 24 THR OG1 : rot 50:sc= -0.567 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -135:sc= -1.23! (180deg=-1.76!) USER MOD Single : A 32 HIS : no HD1:sc= -3.93! C(o=-3.9!,f=-15!) USER MOD Single : A 35 LYS NZ :NH3+ -117:sc= 0.169 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -6.65! C(o=-6.6!,f=-6.6!) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.0214 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.35 USER MOD Single : A 46 GLN : amide:sc= -15.9! C(o=-16!,f=-17!) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 156:sc= -0.0465 (180deg=-1.18) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= -0.692 K(o=-0.69,f=-3.6!) USER MOD Single : A 69 SER OG : rot -130:sc= -0.675 USER MOD Single : A 73 THR OG1 : rot 40:sc= 0.153 USER MOD Single : A 80 LYS NZ :NH3+ -131:sc= 0.379 (180deg=-0.789) USER MOD Single : A 83 ASN : amide:sc= -2.52! C(o=-2.5!,f=-1.4!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 91 MET CE :methyl 156:sc= -0.392 (180deg=-1.06) USER MOD Single : A 92 GLN : amide:sc= -4.4! C(o=-4.4!,f=-8!) USER MOD Single : A 98 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0693) USER MOD Single : A 100 LYS NZ :NH3+ -156:sc= -10.2! (180deg=-11.7!) USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=0.24) USER MOD Single : A 109 CYS SG : rot 180:sc= -2.24 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot -140:sc= -0.0237 USER MOD Single : A 114 THR OG1 : rot 180:sc= -1.14 USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 123 THR OG1 : rot 91:sc= 1.22 USER MOD Single : A 124 LYS NZ :NH3+ 145:sc= -9.28! (180deg=-12.1!) USER MOD Single : A 125 TYR OH : rot 180:sc= 0 USER MOD Single : A 127 ASN : amide:sc= -1.63 K(o=-1.6,f=-0.0055) USER MOD Single : B 1 ASP N :NH3+ -103:sc= 0.132 (180deg=-0.142) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 13.126 -21.255 -3.076 1.00 1.51 N ATOM 2 CA ARG A 1 14.177 -20.836 -4.046 1.00 1.47 C ATOM 3 C ARG A 1 15.014 -19.710 -3.436 1.00 1.42 C ATOM 4 O ARG A 1 14.563 -18.989 -2.568 1.00 1.41 O ATOM 5 CB ARG A 1 13.513 -20.339 -5.333 1.00 1.52 C ATOM 6 CG ARG A 1 12.563 -19.183 -5.007 1.00 1.58 C ATOM 7 CD ARG A 1 11.833 -18.743 -6.278 1.00 1.56 C ATOM 8 NE ARG A 1 10.769 -19.732 -6.608 1.00 1.55 N ATOM 9 CZ ARG A 1 9.833 -19.422 -7.463 1.00 1.55 C ATOM 10 NH1 ARG A 1 9.830 -18.246 -8.030 1.00 1.57 N ATOM 11 NH2 ARG A 1 8.900 -20.287 -7.751 1.00 1.54 N ATOM 0 H1 ARG A 1 12.252 -21.487 -3.590 1.00 1.51 H new ATOM 0 H2 ARG A 1 13.452 -22.092 -2.551 1.00 1.51 H new ATOM 0 H3 ARG A 1 12.940 -20.479 -2.409 1.00 1.51 H new ATOM 0 HA ARG A 1 14.822 -21.685 -4.274 1.00 1.47 H new ATOM 0 HB2 ARG A 1 14.272 -20.010 -6.042 1.00 1.52 H new ATOM 0 HB3 ARG A 1 12.964 -21.152 -5.808 1.00 1.52 H new ATOM 0 HG2 ARG A 1 11.842 -19.494 -4.251 1.00 1.58 H new ATOM 0 HG3 ARG A 1 13.123 -18.346 -4.589 1.00 1.58 H new ATOM 0 HD2 ARG A 1 11.394 -17.755 -6.135 1.00 1.56 H new ATOM 0 HD3 ARG A 1 12.538 -18.662 -7.105 1.00 1.56 H new ATOM 0 HE ARG A 1 10.772 -20.651 -6.166 1.00 1.55 H new ATOM 0 HH11 ARG A 1 10.559 -17.569 -7.805 1.00 1.57 H new ATOM 0 HH12 ARG A 1 9.098 -18.004 -8.698 1.00 1.57 H new ATOM 0 HH21 ARG A 1 8.902 -21.206 -7.308 1.00 1.54 H new ATOM 0 HH22 ARG A 1 8.168 -20.045 -8.419 1.00 1.54 H new ATOM 27 N HIS A 2 16.230 -19.551 -3.883 1.00 1.39 N ATOM 28 CA HIS A 2 17.090 -18.468 -3.328 1.00 1.35 C ATOM 29 C HIS A 2 16.627 -17.121 -3.886 1.00 1.38 C ATOM 30 O HIS A 2 16.858 -16.806 -5.037 1.00 1.44 O ATOM 31 CB HIS A 2 18.545 -18.715 -3.731 1.00 1.31 C ATOM 32 CG HIS A 2 19.096 -19.872 -2.944 1.00 1.26 C ATOM 33 ND1 HIS A 2 19.984 -19.696 -1.894 1.00 1.27 N ATOM 34 CD2 HIS A 2 18.896 -21.227 -3.042 1.00 1.20 C ATOM 35 CE1 HIS A 2 20.283 -20.915 -1.407 1.00 1.22 C ATOM 36 NE2 HIS A 2 19.647 -21.883 -2.071 1.00 1.17 N ATOM 0 H HIS A 2 16.664 -20.123 -4.607 1.00 1.39 H new ATOM 0 HA HIS A 2 17.013 -18.460 -2.241 1.00 1.35 H new ATOM 0 HB2 HIS A 2 18.607 -18.926 -4.799 1.00 1.31 H new ATOM 0 HB3 HIS A 2 19.141 -17.821 -3.548 1.00 1.31 H new ATOM 0 HD2 HIS A 2 18.253 -21.710 -3.763 1.00 1.20 H new ATOM 0 HE1 HIS A 2 20.955 -21.089 -0.580 1.00 1.22 H new ATOM 0 HE2 HIS A 2 19.700 -22.888 -1.903 1.00 1.17 H new ATOM 44 N GLU A 3 15.970 -16.327 -3.076 1.00 1.36 N ATOM 45 CA GLU A 3 15.475 -14.990 -3.539 1.00 1.40 C ATOM 46 C GLU A 3 16.056 -13.894 -2.640 1.00 1.39 C ATOM 47 O GLU A 3 15.819 -13.862 -1.449 1.00 1.34 O ATOM 48 CB GLU A 3 13.943 -14.969 -3.457 1.00 1.39 C ATOM 49 CG GLU A 3 13.488 -15.735 -2.213 1.00 1.41 C ATOM 50 CD GLU A 3 11.986 -15.531 -2.008 1.00 1.40 C ATOM 51 OE1 GLU A 3 11.319 -15.183 -2.967 1.00 1.53 O ATOM 52 OE2 GLU A 3 11.529 -15.728 -0.894 1.00 1.60 O ATOM 0 H GLU A 3 15.753 -16.549 -2.104 1.00 1.36 H new ATOM 0 HA GLU A 3 15.788 -14.813 -4.568 1.00 1.40 H new ATOM 0 HB2 GLU A 3 13.585 -13.940 -3.415 1.00 1.39 H new ATOM 0 HB3 GLU A 3 13.514 -15.420 -4.352 1.00 1.39 H new ATOM 0 HG2 GLU A 3 13.709 -16.796 -2.325 1.00 1.41 H new ATOM 0 HG3 GLU A 3 14.036 -15.386 -1.338 1.00 1.41 H new ATOM 59 N ARG A 4 16.818 -12.995 -3.204 1.00 1.44 N ATOM 60 CA ARG A 4 17.418 -11.899 -2.392 1.00 1.44 C ATOM 61 C ARG A 4 17.570 -10.660 -3.279 1.00 1.43 C ATOM 62 O ARG A 4 18.235 -10.686 -4.295 1.00 1.45 O ATOM 63 CB ARG A 4 18.786 -12.367 -1.860 1.00 1.51 C ATOM 64 CG ARG A 4 19.632 -11.170 -1.343 1.00 1.53 C ATOM 65 CD ARG A 4 20.716 -10.789 -2.366 1.00 1.56 C ATOM 66 NE ARG A 4 21.905 -11.667 -2.176 1.00 1.64 N ATOM 67 CZ ARG A 4 22.819 -11.737 -3.104 1.00 1.68 C ATOM 68 NH1 ARG A 4 22.687 -11.043 -4.202 1.00 1.65 N ATOM 69 NH2 ARG A 4 23.864 -12.501 -2.937 1.00 1.74 N ATOM 0 H ARG A 4 17.051 -12.974 -4.197 1.00 1.44 H new ATOM 0 HA ARG A 4 16.781 -11.648 -1.544 1.00 1.44 H new ATOM 0 HB2 ARG A 4 18.638 -13.085 -1.054 1.00 1.51 H new ATOM 0 HB3 ARG A 4 19.329 -12.883 -2.652 1.00 1.51 H new ATOM 0 HG2 ARG A 4 18.984 -10.314 -1.156 1.00 1.53 H new ATOM 0 HG3 ARG A 4 20.097 -11.431 -0.392 1.00 1.53 H new ATOM 0 HD2 ARG A 4 20.329 -10.896 -3.379 1.00 1.56 H new ATOM 0 HD3 ARG A 4 20.998 -9.744 -2.241 1.00 1.56 H new ATOM 0 HE ARG A 4 22.004 -12.213 -1.320 1.00 1.64 H new ATOM 0 HH11 ARG A 4 21.870 -10.447 -4.333 1.00 1.65 H new ATOM 0 HH12 ARG A 4 23.401 -11.097 -4.928 1.00 1.65 H new ATOM 0 HH21 ARG A 4 23.967 -13.044 -2.080 1.00 1.74 H new ATOM 0 HH22 ARG A 4 24.578 -12.555 -3.664 1.00 1.74 H new ATOM 83 N ASP A 5 16.933 -9.577 -2.915 1.00 1.40 N ATOM 84 CA ASP A 5 17.017 -8.339 -3.736 1.00 1.39 C ATOM 85 C ASP A 5 16.972 -7.112 -2.821 1.00 1.41 C ATOM 86 O ASP A 5 17.646 -7.047 -1.812 1.00 1.46 O ATOM 87 CB ASP A 5 15.829 -8.318 -4.710 1.00 1.32 C ATOM 88 CG ASP A 5 16.196 -7.537 -5.977 1.00 1.32 C ATOM 89 OD1 ASP A 5 16.439 -6.347 -5.866 1.00 1.32 O ATOM 90 OD2 ASP A 5 16.227 -8.145 -7.035 1.00 1.33 O ATOM 0 H ASP A 5 16.355 -9.500 -2.078 1.00 1.40 H new ATOM 0 HA ASP A 5 17.952 -8.320 -4.297 1.00 1.39 H new ATOM 0 HB2 ASP A 5 15.546 -9.338 -4.972 1.00 1.32 H new ATOM 0 HB3 ASP A 5 14.964 -7.860 -4.230 1.00 1.32 H new ATOM 95 N ALA A 6 16.189 -6.139 -3.180 1.00 1.37 N ATOM 96 CA ALA A 6 16.095 -4.902 -2.357 1.00 1.39 C ATOM 97 C ALA A 6 15.700 -5.240 -0.915 1.00 1.40 C ATOM 98 O ALA A 6 16.386 -4.874 0.016 1.00 1.45 O ATOM 99 CB ALA A 6 15.040 -3.974 -2.962 1.00 1.34 C ATOM 0 H ALA A 6 15.604 -6.146 -4.015 1.00 1.37 H new ATOM 0 HA ALA A 6 17.069 -4.412 -2.349 1.00 1.39 H new ATOM 0 HB1 ALA A 6 14.967 -3.066 -2.363 1.00 1.34 H new ATOM 0 HB2 ALA A 6 15.326 -3.714 -3.981 1.00 1.34 H new ATOM 0 HB3 ALA A 6 14.074 -4.480 -2.974 1.00 1.34 H new ATOM 105 N PHE A 7 14.593 -5.911 -0.713 1.00 1.35 N ATOM 106 CA PHE A 7 14.162 -6.232 0.690 1.00 1.36 C ATOM 107 C PHE A 7 15.336 -6.713 1.526 1.00 1.43 C ATOM 108 O PHE A 7 15.726 -6.087 2.492 1.00 1.46 O ATOM 109 CB PHE A 7 13.061 -7.322 0.681 1.00 1.31 C ATOM 110 CG PHE A 7 13.138 -8.076 -0.607 1.00 1.26 C ATOM 111 CD1 PHE A 7 12.534 -7.532 -1.729 1.00 1.21 C ATOM 112 CD2 PHE A 7 13.831 -9.289 -0.686 1.00 1.27 C ATOM 113 CE1 PHE A 7 12.614 -8.202 -2.952 1.00 1.16 C ATOM 114 CE2 PHE A 7 13.908 -9.966 -1.907 1.00 1.23 C ATOM 115 CZ PHE A 7 13.299 -9.422 -3.042 1.00 1.18 C ATOM 0 H PHE A 7 13.972 -6.249 -1.448 1.00 1.35 H new ATOM 0 HA PHE A 7 13.766 -5.317 1.132 1.00 1.36 H new ATOM 0 HB2 PHE A 7 13.195 -8.000 1.524 1.00 1.31 H new ATOM 0 HB3 PHE A 7 12.077 -6.866 0.793 1.00 1.31 H new ATOM 0 HD1 PHE A 7 12.004 -6.594 -1.658 1.00 1.21 H new ATOM 0 HD2 PHE A 7 14.305 -9.701 0.193 1.00 1.27 H new ATOM 0 HE1 PHE A 7 12.147 -7.780 -3.830 1.00 1.16 H new ATOM 0 HE2 PHE A 7 14.436 -10.906 -1.973 1.00 1.23 H new ATOM 0 HZ PHE A 7 13.356 -9.941 -3.987 1.00 1.18 H new ATOM 125 N ASP A 8 15.880 -7.828 1.181 1.00 1.47 N ATOM 126 CA ASP A 8 17.001 -8.376 1.983 1.00 1.54 C ATOM 127 C ASP A 8 18.036 -7.283 2.258 1.00 1.58 C ATOM 128 O ASP A 8 18.145 -6.783 3.348 1.00 1.60 O ATOM 129 CB ASP A 8 17.648 -9.549 1.202 1.00 1.58 C ATOM 130 CG ASP A 8 17.683 -10.822 2.063 1.00 1.64 C ATOM 131 OD1 ASP A 8 16.643 -11.189 2.585 1.00 1.69 O ATOM 132 OD2 ASP A 8 18.749 -11.404 2.182 1.00 1.64 O ATOM 0 H ASP A 8 15.601 -8.391 0.377 1.00 1.47 H new ATOM 0 HA ASP A 8 16.627 -8.738 2.940 1.00 1.54 H new ATOM 0 HB2 ASP A 8 17.085 -9.738 0.288 1.00 1.58 H new ATOM 0 HB3 ASP A 8 18.661 -9.278 0.903 1.00 1.58 H new ATOM 137 N THR A 9 18.783 -6.906 1.281 1.00 1.61 N ATOM 138 CA THR A 9 19.820 -5.863 1.504 1.00 1.66 C ATOM 139 C THR A 9 19.229 -4.602 2.122 1.00 1.62 C ATOM 140 O THR A 9 19.739 -4.069 3.083 1.00 1.65 O ATOM 141 CB THR A 9 20.482 -5.513 0.169 1.00 1.71 C ATOM 142 OG1 THR A 9 20.801 -6.710 -0.527 1.00 1.71 O ATOM 143 CG2 THR A 9 21.760 -4.713 0.424 1.00 1.78 C ATOM 0 H THR A 9 18.728 -7.270 0.330 1.00 1.61 H new ATOM 0 HA THR A 9 20.557 -6.264 2.200 1.00 1.66 H new ATOM 0 HB THR A 9 19.796 -4.915 -0.431 1.00 1.71 H new ATOM 0 HG1 THR A 9 21.223 -6.488 -1.383 1.00 1.71 H new ATOM 0 HG21 THR A 9 22.230 -4.465 -0.528 1.00 1.78 H new ATOM 0 HG22 THR A 9 21.514 -3.795 0.958 1.00 1.78 H new ATOM 0 HG23 THR A 9 22.448 -5.308 1.024 1.00 1.78 H new ATOM 151 N LEU A 10 18.175 -4.114 1.575 1.00 1.55 N ATOM 152 CA LEU A 10 17.576 -2.859 2.106 1.00 1.52 C ATOM 153 C LEU A 10 17.281 -2.992 3.591 1.00 1.51 C ATOM 154 O LEU A 10 17.752 -2.227 4.404 1.00 1.54 O ATOM 155 CB LEU A 10 16.269 -2.569 1.364 1.00 1.44 C ATOM 156 CG LEU A 10 15.690 -1.210 1.799 1.00 1.43 C ATOM 157 CD1 LEU A 10 16.663 -0.070 1.441 1.00 1.48 C ATOM 158 CD2 LEU A 10 14.349 -0.986 1.084 1.00 1.36 C ATOM 0 H LEU A 10 17.690 -4.524 0.777 1.00 1.55 H new ATOM 0 HA LEU A 10 18.285 -2.045 1.957 1.00 1.52 H new ATOM 0 HB2 LEU A 10 16.447 -2.567 0.289 1.00 1.44 H new ATOM 0 HB3 LEU A 10 15.547 -3.360 1.566 1.00 1.44 H new ATOM 0 HG LEU A 10 15.542 -1.213 2.879 1.00 1.43 H new ATOM 0 HD11 LEU A 10 16.238 0.883 1.755 1.00 1.48 H new ATOM 0 HD12 LEU A 10 17.613 -0.229 1.950 1.00 1.48 H new ATOM 0 HD13 LEU A 10 16.827 -0.056 0.363 1.00 1.48 H new ATOM 0 HD21 LEU A 10 13.932 -0.026 1.386 1.00 1.36 H new ATOM 0 HD22 LEU A 10 14.507 -0.990 0.005 1.00 1.36 H new ATOM 0 HD23 LEU A 10 13.656 -1.783 1.352 1.00 1.36 H new ATOM 170 N PHE A 11 16.473 -3.933 3.939 1.00 1.48 N ATOM 171 CA PHE A 11 16.085 -4.103 5.361 1.00 1.48 C ATOM 172 C PHE A 11 17.129 -4.891 6.154 1.00 1.55 C ATOM 173 O PHE A 11 17.267 -4.712 7.348 1.00 1.57 O ATOM 174 CB PHE A 11 14.761 -4.848 5.380 1.00 1.42 C ATOM 175 CG PHE A 11 13.776 -4.212 4.416 1.00 1.36 C ATOM 176 CD1 PHE A 11 13.625 -2.814 4.331 1.00 1.34 C ATOM 177 CD2 PHE A 11 12.992 -5.042 3.613 1.00 1.31 C ATOM 178 CE1 PHE A 11 12.697 -2.265 3.440 1.00 1.27 C ATOM 179 CE2 PHE A 11 12.062 -4.486 2.727 1.00 1.25 C ATOM 180 CZ PHE A 11 11.919 -3.102 2.639 1.00 1.23 C ATOM 0 H PHE A 11 16.055 -4.605 3.295 1.00 1.48 H new ATOM 0 HA PHE A 11 16.005 -3.123 5.831 1.00 1.48 H new ATOM 0 HB2 PHE A 11 14.921 -5.892 5.109 1.00 1.42 H new ATOM 0 HB3 PHE A 11 14.348 -4.840 6.389 1.00 1.42 H new ATOM 0 HD1 PHE A 11 14.225 -2.167 4.953 1.00 1.34 H new ATOM 0 HD2 PHE A 11 13.103 -6.114 3.675 1.00 1.31 H new ATOM 0 HE1 PHE A 11 12.583 -1.193 3.372 1.00 1.27 H new ATOM 0 HE2 PHE A 11 11.454 -5.131 2.110 1.00 1.25 H new ATOM 0 HZ PHE A 11 11.205 -2.677 1.950 1.00 1.23 H new ATOM 190 N ASP A 12 17.853 -5.762 5.527 1.00 1.58 N ATOM 191 CA ASP A 12 18.872 -6.553 6.300 1.00 1.65 C ATOM 192 C ASP A 12 20.112 -5.701 6.568 1.00 1.70 C ATOM 193 O ASP A 12 20.876 -5.983 7.471 1.00 1.75 O ATOM 194 CB ASP A 12 19.283 -7.820 5.541 1.00 1.68 C ATOM 195 CG ASP A 12 18.035 -8.618 5.154 1.00 1.63 C ATOM 196 OD1 ASP A 12 16.947 -8.088 5.307 1.00 1.65 O ATOM 197 OD2 ASP A 12 18.188 -9.744 4.711 1.00 1.58 O ATOM 0 H ASP A 12 17.796 -5.969 4.530 1.00 1.58 H new ATOM 0 HA ASP A 12 18.416 -6.845 7.246 1.00 1.65 H new ATOM 0 HB2 ASP A 12 19.847 -7.553 4.647 1.00 1.68 H new ATOM 0 HB3 ASP A 12 19.939 -8.431 6.162 1.00 1.68 H new ATOM 202 N HIS A 13 20.319 -4.661 5.798 1.00 1.70 N ATOM 203 CA HIS A 13 21.517 -3.776 6.008 1.00 1.76 C ATOM 204 C HIS A 13 21.040 -2.372 6.410 1.00 1.73 C ATOM 205 O HIS A 13 21.792 -1.419 6.378 1.00 1.77 O ATOM 206 CB HIS A 13 22.345 -3.718 4.694 1.00 1.80 C ATOM 207 CG HIS A 13 23.755 -4.205 4.931 1.00 1.86 C ATOM 208 ND1 HIS A 13 24.030 -5.314 5.716 1.00 1.87 N ATOM 209 CD2 HIS A 13 24.972 -3.744 4.493 1.00 1.91 C ATOM 210 CE1 HIS A 13 25.364 -5.482 5.727 1.00 1.93 C ATOM 211 NE2 HIS A 13 25.987 -4.552 4.997 1.00 1.95 N ATOM 0 H HIS A 13 19.710 -4.382 5.029 1.00 1.70 H new ATOM 0 HA HIS A 13 22.148 -4.175 6.803 1.00 1.76 H new ATOM 0 HB2 HIS A 13 21.867 -4.330 3.929 1.00 1.80 H new ATOM 0 HB3 HIS A 13 22.366 -2.696 4.316 1.00 1.80 H new ATOM 0 HD2 HIS A 13 25.119 -2.885 3.855 1.00 1.91 H new ATOM 0 HE1 HIS A 13 25.870 -6.272 6.261 1.00 1.93 H new ATOM 0 HE2 HIS A 13 26.991 -4.455 4.842 1.00 1.95 H new ATOM 219 N ALA A 14 19.800 -2.244 6.800 1.00 1.66 N ATOM 220 CA ALA A 14 19.281 -0.908 7.215 1.00 1.63 C ATOM 221 C ALA A 14 17.878 -1.068 7.817 1.00 1.56 C ATOM 222 O ALA A 14 16.907 -0.643 7.223 1.00 1.51 O ATOM 223 CB ALA A 14 19.217 0.023 5.999 1.00 1.62 C ATOM 0 H ALA A 14 19.124 -3.006 6.849 1.00 1.66 H new ATOM 0 HA ALA A 14 19.949 -0.477 7.961 1.00 1.63 H new ATOM 0 HB1 ALA A 14 18.837 0.997 6.306 1.00 1.62 H new ATOM 0 HB2 ALA A 14 20.215 0.139 5.577 1.00 1.62 H new ATOM 0 HB3 ALA A 14 18.553 -0.405 5.248 1.00 1.62 H new ATOM 229 N PRO A 15 17.806 -1.672 8.987 1.00 1.57 N ATOM 230 CA PRO A 15 16.521 -1.879 9.670 1.00 1.51 C ATOM 231 C PRO A 15 15.913 -0.511 9.975 1.00 1.50 C ATOM 232 O PRO A 15 14.746 -0.385 10.293 1.00 1.44 O ATOM 233 CB PRO A 15 16.875 -2.650 10.965 1.00 1.54 C ATOM 234 CG PRO A 15 18.402 -2.941 10.927 1.00 1.62 C ATOM 235 CD PRO A 15 18.983 -2.188 9.713 1.00 1.64 C ATOM 0 HA PRO A 15 15.793 -2.435 9.080 1.00 1.51 H new ATOM 0 HB2 PRO A 15 16.618 -2.061 11.845 1.00 1.54 H new ATOM 0 HB3 PRO A 15 16.308 -3.579 11.026 1.00 1.54 H new ATOM 0 HG2 PRO A 15 18.879 -2.609 11.849 1.00 1.62 H new ATOM 0 HG3 PRO A 15 18.587 -4.012 10.839 1.00 1.62 H new ATOM 0 HD2 PRO A 15 19.639 -1.377 10.028 1.00 1.64 H new ATOM 0 HD3 PRO A 15 19.576 -2.851 9.083 1.00 1.64 H new ATOM 243 N ASP A 16 16.710 0.515 9.872 1.00 1.55 N ATOM 244 CA ASP A 16 16.196 1.889 10.145 1.00 1.55 C ATOM 245 C ASP A 16 15.411 2.376 8.927 1.00 1.52 C ATOM 246 O ASP A 16 14.465 3.137 9.035 1.00 1.48 O ATOM 247 CB ASP A 16 17.372 2.832 10.408 1.00 1.63 C ATOM 248 CG ASP A 16 18.256 2.251 11.512 1.00 1.65 C ATOM 249 OD1 ASP A 16 17.710 1.815 12.513 1.00 1.64 O ATOM 250 OD2 ASP A 16 19.463 2.250 11.339 1.00 1.68 O ATOM 0 H ASP A 16 17.695 0.464 9.611 1.00 1.55 H new ATOM 0 HA ASP A 16 15.546 1.874 11.020 1.00 1.55 H new ATOM 0 HB2 ASP A 16 17.953 2.968 9.496 1.00 1.63 H new ATOM 0 HB3 ASP A 16 17.005 3.815 10.702 1.00 1.63 H new ATOM 255 N LYS A 17 15.786 1.918 7.766 1.00 1.55 N ATOM 256 CA LYS A 17 15.066 2.323 6.532 1.00 1.54 C ATOM 257 C LYS A 17 13.802 1.485 6.445 1.00 1.46 C ATOM 258 O LYS A 17 12.772 1.935 5.996 1.00 1.42 O ATOM 259 CB LYS A 17 15.952 2.070 5.308 1.00 1.59 C ATOM 260 CG LYS A 17 16.928 3.239 5.126 1.00 1.67 C ATOM 261 CD LYS A 17 17.874 2.953 3.946 1.00 1.72 C ATOM 262 CE LYS A 17 18.387 4.273 3.357 1.00 1.80 C ATOM 263 NZ LYS A 17 17.330 4.866 2.491 1.00 1.80 N ATOM 0 H LYS A 17 16.566 1.277 7.620 1.00 1.55 H new ATOM 0 HA LYS A 17 14.818 3.384 6.559 1.00 1.54 H new ATOM 0 HB2 LYS A 17 16.504 1.139 5.433 1.00 1.59 H new ATOM 0 HB3 LYS A 17 15.334 1.957 4.417 1.00 1.59 H new ATOM 0 HG2 LYS A 17 16.375 4.161 4.945 1.00 1.67 H new ATOM 0 HG3 LYS A 17 17.505 3.388 6.039 1.00 1.67 H new ATOM 0 HD2 LYS A 17 18.713 2.344 4.281 1.00 1.72 H new ATOM 0 HD3 LYS A 17 17.351 2.381 3.179 1.00 1.72 H new ATOM 0 HE2 LYS A 17 18.649 4.965 4.157 1.00 1.80 H new ATOM 0 HE3 LYS A 17 19.293 4.099 2.777 1.00 1.80 H new ATOM 0 HZ1 LYS A 17 17.760 5.228 1.616 1.00 1.80 H new ATOM 0 HZ2 LYS A 17 16.626 4.138 2.255 1.00 1.80 H new ATOM 0 HZ3 LYS A 17 16.865 5.647 2.996 1.00 1.80 H new ATOM 277 N LEU A 18 13.871 0.268 6.907 1.00 1.43 N ATOM 278 CA LEU A 18 12.671 -0.610 6.895 1.00 1.36 C ATOM 279 C LEU A 18 11.488 0.201 7.432 1.00 1.31 C ATOM 280 O LEU A 18 10.428 0.261 6.842 1.00 1.26 O ATOM 281 CB LEU A 18 12.952 -1.814 7.815 1.00 1.35 C ATOM 282 CG LEU A 18 12.055 -3.005 7.460 1.00 1.35 C ATOM 283 CD1 LEU A 18 12.300 -4.133 8.466 1.00 1.28 C ATOM 284 CD2 LEU A 18 10.585 -2.588 7.512 1.00 1.41 C ATOM 0 H LEU A 18 14.713 -0.158 7.295 1.00 1.43 H new ATOM 0 HA LEU A 18 12.443 -0.966 5.890 1.00 1.36 H new ATOM 0 HB2 LEU A 18 13.999 -2.105 7.728 1.00 1.35 H new ATOM 0 HB3 LEU A 18 12.786 -1.528 8.854 1.00 1.35 H new ATOM 0 HG LEU A 18 12.291 -3.347 6.452 1.00 1.35 H new ATOM 0 HD11 LEU A 18 11.665 -4.984 8.220 1.00 1.28 H new ATOM 0 HD12 LEU A 18 13.346 -4.437 8.425 1.00 1.28 H new ATOM 0 HD13 LEU A 18 12.063 -3.782 9.471 1.00 1.28 H new ATOM 0 HD21 LEU A 18 9.956 -3.441 7.258 1.00 1.41 H new ATOM 0 HD22 LEU A 18 10.340 -2.242 8.516 1.00 1.41 H new ATOM 0 HD23 LEU A 18 10.410 -1.783 6.798 1.00 1.41 H new ATOM 296 N ASN A 19 11.684 0.847 8.544 1.00 1.33 N ATOM 297 CA ASN A 19 10.587 1.663 9.134 1.00 1.29 C ATOM 298 C ASN A 19 10.335 2.915 8.285 1.00 1.30 C ATOM 299 O ASN A 19 9.234 3.153 7.832 1.00 1.25 O ATOM 300 CB ASN A 19 10.977 2.073 10.559 1.00 1.32 C ATOM 301 CG ASN A 19 12.466 2.419 10.598 1.00 1.27 C ATOM 302 OD1 ASN A 19 13.304 1.568 10.377 1.00 1.29 O ATOM 303 ND2 ASN A 19 12.833 3.641 10.873 1.00 1.22 N ATOM 0 H ASN A 19 12.557 0.846 9.072 1.00 1.33 H new ATOM 0 HA ASN A 19 9.673 1.070 9.157 1.00 1.29 H new ATOM 0 HB2 ASN A 19 10.385 2.931 10.878 1.00 1.32 H new ATOM 0 HB3 ASN A 19 10.763 1.261 11.254 1.00 1.32 H new ATOM 0 HD21 ASN A 19 13.824 3.882 10.902 1.00 1.22 H new ATOM 0 HD22 ASN A 19 12.129 4.355 11.059 1.00 1.22 H new ATOM 310 N VAL A 20 11.336 3.726 8.086 1.00 1.36 N ATOM 311 CA VAL A 20 11.139 4.975 7.290 1.00 1.38 C ATOM 312 C VAL A 20 10.655 4.656 5.865 1.00 1.34 C ATOM 313 O VAL A 20 9.938 5.434 5.257 1.00 1.32 O ATOM 314 CB VAL A 20 12.467 5.739 7.227 1.00 1.46 C ATOM 315 CG1 VAL A 20 12.343 6.927 6.269 1.00 1.48 C ATOM 316 CG2 VAL A 20 12.825 6.247 8.627 1.00 1.50 C ATOM 0 H VAL A 20 12.282 3.581 8.439 1.00 1.36 H new ATOM 0 HA VAL A 20 10.376 5.584 7.775 1.00 1.38 H new ATOM 0 HB VAL A 20 13.249 5.071 6.866 1.00 1.46 H new ATOM 0 HG11 VAL A 20 13.291 7.464 6.231 1.00 1.48 H new ATOM 0 HG12 VAL A 20 12.090 6.566 5.272 1.00 1.48 H new ATOM 0 HG13 VAL A 20 11.560 7.598 6.621 1.00 1.48 H new ATOM 0 HG21 VAL A 20 13.769 6.791 8.586 1.00 1.50 H new ATOM 0 HG22 VAL A 20 12.039 6.911 8.985 1.00 1.50 H new ATOM 0 HG23 VAL A 20 12.923 5.401 9.307 1.00 1.50 H new ATOM 326 N VAL A 21 11.030 3.534 5.315 1.00 1.33 N ATOM 327 CA VAL A 21 10.580 3.221 3.930 1.00 1.30 C ATOM 328 C VAL A 21 9.086 2.899 3.945 1.00 1.22 C ATOM 329 O VAL A 21 8.335 3.365 3.106 1.00 1.19 O ATOM 330 CB VAL A 21 11.382 2.042 3.370 1.00 1.30 C ATOM 331 CG1 VAL A 21 10.791 1.610 2.024 1.00 1.26 C ATOM 332 CG2 VAL A 21 12.842 2.475 3.161 1.00 1.38 C ATOM 0 H VAL A 21 11.620 2.829 5.757 1.00 1.33 H new ATOM 0 HA VAL A 21 10.750 4.084 3.287 1.00 1.30 H new ATOM 0 HB VAL A 21 11.338 1.209 4.072 1.00 1.30 H new ATOM 0 HG11 VAL A 21 11.363 0.771 1.628 1.00 1.26 H new ATOM 0 HG12 VAL A 21 9.753 1.308 2.163 1.00 1.26 H new ATOM 0 HG13 VAL A 21 10.836 2.443 1.323 1.00 1.26 H new ATOM 0 HG21 VAL A 21 13.416 1.639 2.763 1.00 1.38 H new ATOM 0 HG22 VAL A 21 12.878 3.307 2.458 1.00 1.38 H new ATOM 0 HG23 VAL A 21 13.269 2.787 4.114 1.00 1.38 H new ATOM 342 N LYS A 22 8.627 2.142 4.905 1.00 1.19 N ATOM 343 CA LYS A 22 7.181 1.854 4.957 1.00 1.12 C ATOM 344 C LYS A 22 6.489 3.196 5.142 1.00 1.12 C ATOM 345 O LYS A 22 5.495 3.461 4.538 1.00 1.09 O ATOM 346 CB LYS A 22 6.898 0.888 6.130 1.00 1.09 C ATOM 347 CG LYS A 22 5.449 1.032 6.681 1.00 1.03 C ATOM 348 CD LYS A 22 5.429 0.685 8.176 1.00 1.03 C ATOM 349 CE LYS A 22 5.964 1.874 8.995 1.00 1.09 C ATOM 350 NZ LYS A 22 6.747 1.361 10.154 1.00 1.14 N ATOM 0 H LYS A 22 9.189 1.719 5.643 1.00 1.19 H new ATOM 0 HA LYS A 22 6.815 1.370 4.052 1.00 1.12 H new ATOM 0 HB2 LYS A 22 7.058 -0.138 5.799 1.00 1.09 H new ATOM 0 HB3 LYS A 22 7.610 1.078 6.933 1.00 1.09 H new ATOM 0 HG2 LYS A 22 5.091 2.050 6.529 1.00 1.03 H new ATOM 0 HG3 LYS A 22 4.774 0.372 6.135 1.00 1.03 H new ATOM 0 HD2 LYS A 22 4.413 0.444 8.489 1.00 1.03 H new ATOM 0 HD3 LYS A 22 6.038 -0.200 8.362 1.00 1.03 H new ATOM 0 HE2 LYS A 22 6.592 2.508 8.369 1.00 1.09 H new ATOM 0 HE3 LYS A 22 5.136 2.491 9.345 1.00 1.09 H new ATOM 0 HZ1 LYS A 22 7.110 2.162 10.710 1.00 1.14 H new ATOM 0 HZ2 LYS A 22 6.134 0.773 10.754 1.00 1.14 H new ATOM 0 HZ3 LYS A 22 7.544 0.790 9.809 1.00 1.14 H new ATOM 364 N LYS A 23 7.015 4.028 5.994 1.00 1.17 N ATOM 365 CA LYS A 23 6.386 5.362 6.243 1.00 1.18 C ATOM 366 C LYS A 23 6.233 6.148 4.936 1.00 1.20 C ATOM 367 O LYS A 23 5.314 6.930 4.775 1.00 1.20 O ATOM 368 CB LYS A 23 7.267 6.164 7.208 1.00 1.25 C ATOM 369 CG LYS A 23 7.140 5.595 8.622 1.00 1.23 C ATOM 370 CD LYS A 23 7.783 6.558 9.621 1.00 1.29 C ATOM 371 CE LYS A 23 7.833 5.903 11.003 1.00 1.36 C ATOM 372 NZ LYS A 23 6.448 5.587 11.454 1.00 1.39 N ATOM 0 H LYS A 23 7.860 3.844 6.535 1.00 1.17 H new ATOM 0 HA LYS A 23 5.397 5.203 6.673 1.00 1.18 H new ATOM 0 HB2 LYS A 23 8.307 6.125 6.883 1.00 1.25 H new ATOM 0 HB3 LYS A 23 6.969 7.213 7.200 1.00 1.25 H new ATOM 0 HG2 LYS A 23 6.090 5.444 8.871 1.00 1.23 H new ATOM 0 HG3 LYS A 23 7.624 4.620 8.678 1.00 1.23 H new ATOM 0 HD2 LYS A 23 8.790 6.819 9.294 1.00 1.29 H new ATOM 0 HD3 LYS A 23 7.212 7.485 9.667 1.00 1.29 H new ATOM 0 HE2 LYS A 23 8.431 4.992 10.964 1.00 1.36 H new ATOM 0 HE3 LYS A 23 8.316 6.571 11.716 1.00 1.36 H new ATOM 0 HZ1 LYS A 23 6.456 5.367 12.470 1.00 1.39 H new ATOM 0 HZ2 LYS A 23 5.831 6.407 11.282 1.00 1.39 H new ATOM 0 HZ3 LYS A 23 6.089 4.767 10.925 1.00 1.39 H new ATOM 386 N THR A 24 7.115 5.962 4.001 1.00 1.22 N ATOM 387 CA THR A 24 6.987 6.725 2.723 1.00 1.24 C ATOM 388 C THR A 24 5.851 6.124 1.913 1.00 1.18 C ATOM 389 O THR A 24 5.116 6.810 1.224 1.00 1.18 O ATOM 390 CB THR A 24 8.305 6.656 1.942 1.00 1.30 C ATOM 391 OG1 THR A 24 9.284 7.439 2.609 1.00 1.36 O ATOM 392 CG2 THR A 24 8.100 7.200 0.528 1.00 1.31 C ATOM 0 H THR A 24 7.910 5.326 4.058 1.00 1.22 H new ATOM 0 HA THR A 24 6.770 7.773 2.929 1.00 1.24 H new ATOM 0 HB THR A 24 8.636 5.619 1.883 1.00 1.30 H new ATOM 0 HG1 THR A 24 9.305 7.197 3.558 1.00 1.36 H new ATOM 0 HG21 THR A 24 9.040 7.148 -0.022 1.00 1.31 H new ATOM 0 HG22 THR A 24 7.346 6.603 0.014 1.00 1.31 H new ATOM 0 HG23 THR A 24 7.768 8.237 0.582 1.00 1.31 H new ATOM 400 N LEU A 25 5.669 4.855 2.027 1.00 1.13 N ATOM 401 CA LEU A 25 4.556 4.211 1.312 1.00 1.07 C ATOM 402 C LEU A 25 3.263 4.698 1.967 1.00 1.03 C ATOM 403 O LEU A 25 2.243 4.885 1.321 1.00 0.99 O ATOM 404 CB LEU A 25 4.717 2.705 1.460 1.00 1.03 C ATOM 405 CG LEU A 25 5.924 2.248 0.630 1.00 1.08 C ATOM 406 CD1 LEU A 25 6.234 0.775 0.944 1.00 1.06 C ATOM 407 CD2 LEU A 25 5.649 2.448 -0.882 1.00 1.09 C ATOM 0 H LEU A 25 6.247 4.230 2.589 1.00 1.13 H new ATOM 0 HA LEU A 25 4.539 4.456 0.250 1.00 1.07 H new ATOM 0 HB2 LEU A 25 4.860 2.443 2.508 1.00 1.03 H new ATOM 0 HB3 LEU A 25 3.814 2.195 1.124 1.00 1.03 H new ATOM 0 HG LEU A 25 6.792 2.853 0.892 1.00 1.08 H new ATOM 0 HD11 LEU A 25 7.091 0.450 0.355 1.00 1.06 H new ATOM 0 HD12 LEU A 25 6.462 0.669 2.005 1.00 1.06 H new ATOM 0 HD13 LEU A 25 5.369 0.160 0.696 1.00 1.06 H new ATOM 0 HD21 LEU A 25 6.515 2.119 -1.456 1.00 1.09 H new ATOM 0 HD22 LEU A 25 4.777 1.863 -1.174 1.00 1.09 H new ATOM 0 HD23 LEU A 25 5.461 3.503 -1.081 1.00 1.09 H new ATOM 419 N ILE A 26 3.318 4.951 3.252 1.00 1.04 N ATOM 420 CA ILE A 26 2.126 5.465 3.957 1.00 1.01 C ATOM 421 C ILE A 26 1.807 6.835 3.383 1.00 1.05 C ATOM 422 O ILE A 26 0.674 7.223 3.312 1.00 1.02 O ATOM 423 CB ILE A 26 2.409 5.607 5.460 1.00 1.03 C ATOM 424 CG1 ILE A 26 2.753 4.234 6.058 1.00 0.99 C ATOM 425 CG2 ILE A 26 1.168 6.164 6.156 1.00 1.02 C ATOM 426 CD1 ILE A 26 3.125 4.356 7.545 1.00 1.01 C ATOM 0 H ILE A 26 4.144 4.820 3.836 1.00 1.04 H new ATOM 0 HA ILE A 26 1.292 4.775 3.825 1.00 1.01 H new ATOM 0 HB ILE A 26 3.251 6.284 5.606 1.00 1.03 H new ATOM 0 HG12 ILE A 26 1.902 3.562 5.947 1.00 0.99 H new ATOM 0 HG13 ILE A 26 3.583 3.792 5.507 1.00 0.99 H new ATOM 0 HG21 ILE A 26 1.365 6.266 7.223 1.00 1.02 H new ATOM 0 HG22 ILE A 26 0.923 7.140 5.737 1.00 1.02 H new ATOM 0 HG23 ILE A 26 0.330 5.484 6.005 1.00 1.02 H new ATOM 0 HD11 ILE A 26 3.364 3.370 7.942 1.00 1.01 H new ATOM 0 HD12 ILE A 26 3.991 5.009 7.651 1.00 1.01 H new ATOM 0 HD13 ILE A 26 2.284 4.776 8.097 1.00 1.01 H new ATOM 438 N THR A 27 2.810 7.572 2.984 1.00 1.11 N ATOM 439 CA THR A 27 2.563 8.934 2.421 1.00 1.15 C ATOM 440 C THR A 27 1.834 8.837 1.066 1.00 1.12 C ATOM 441 O THR A 27 0.924 9.593 0.797 1.00 1.12 O ATOM 442 CB THR A 27 3.905 9.664 2.255 1.00 1.23 C ATOM 443 OG1 THR A 27 4.400 10.023 3.537 1.00 1.27 O ATOM 444 CG2 THR A 27 3.716 10.931 1.413 1.00 1.27 C ATOM 0 H THR A 27 3.790 7.291 3.023 1.00 1.11 H new ATOM 0 HA THR A 27 1.928 9.495 3.106 1.00 1.15 H new ATOM 0 HB THR A 27 4.612 9.005 1.752 1.00 1.23 H new ATOM 0 HG1 THR A 27 5.257 10.488 3.438 1.00 1.27 H new ATOM 0 HG21 THR A 27 4.673 11.440 1.302 1.00 1.27 H new ATOM 0 HG22 THR A 27 3.333 10.660 0.429 1.00 1.27 H new ATOM 0 HG23 THR A 27 3.007 11.595 1.908 1.00 1.27 H new ATOM 452 N PHE A 28 2.216 7.924 0.210 1.00 1.10 N ATOM 453 CA PHE A 28 1.521 7.815 -1.113 1.00 1.07 C ATOM 454 C PHE A 28 0.021 7.575 -0.855 1.00 1.01 C ATOM 455 O PHE A 28 -0.848 8.230 -1.430 1.00 1.02 O ATOM 456 CB PHE A 28 2.171 6.667 -1.940 1.00 1.05 C ATOM 457 CG PHE A 28 1.160 5.956 -2.817 1.00 1.03 C ATOM 458 CD1 PHE A 28 0.620 6.610 -3.929 1.00 1.08 C ATOM 459 CD2 PHE A 28 0.755 4.652 -2.505 1.00 0.97 C ATOM 460 CE1 PHE A 28 -0.332 5.961 -4.726 1.00 1.06 C ATOM 461 CE2 PHE A 28 -0.191 4.003 -3.305 1.00 0.96 C ATOM 462 CZ PHE A 28 -0.737 4.659 -4.413 1.00 1.00 C ATOM 0 H PHE A 28 2.970 7.255 0.365 1.00 1.10 H new ATOM 0 HA PHE A 28 1.624 8.732 -1.693 1.00 1.07 H new ATOM 0 HB2 PHE A 28 2.968 7.075 -2.562 1.00 1.05 H new ATOM 0 HB3 PHE A 28 2.632 5.948 -1.262 1.00 1.05 H new ATOM 0 HD1 PHE A 28 0.936 7.613 -4.173 1.00 1.08 H new ATOM 0 HD2 PHE A 28 1.173 4.148 -1.647 1.00 0.97 H new ATOM 0 HE1 PHE A 28 -0.753 6.466 -5.583 1.00 1.06 H new ATOM 0 HE2 PHE A 28 -0.500 2.996 -3.067 1.00 0.96 H new ATOM 0 HZ PHE A 28 -1.472 4.160 -5.027 1.00 1.00 H new ATOM 472 N VAL A 29 -0.305 6.668 0.024 1.00 0.97 N ATOM 473 CA VAL A 29 -1.747 6.440 0.306 1.00 0.92 C ATOM 474 C VAL A 29 -2.318 7.691 0.981 1.00 0.95 C ATOM 475 O VAL A 29 -3.400 8.133 0.661 1.00 0.94 O ATOM 476 CB VAL A 29 -1.929 5.226 1.222 1.00 0.86 C ATOM 477 CG1 VAL A 29 -3.393 4.762 1.173 1.00 0.81 C ATOM 478 CG2 VAL A 29 -1.015 4.087 0.752 1.00 0.85 C ATOM 0 H VAL A 29 0.349 6.087 0.548 1.00 0.97 H new ATOM 0 HA VAL A 29 -2.273 6.245 -0.628 1.00 0.92 H new ATOM 0 HB VAL A 29 -1.669 5.501 2.244 1.00 0.86 H new ATOM 0 HG11 VAL A 29 -3.523 3.898 1.825 1.00 0.81 H new ATOM 0 HG12 VAL A 29 -4.042 5.571 1.509 1.00 0.81 H new ATOM 0 HG13 VAL A 29 -3.654 4.488 0.151 1.00 0.81 H new ATOM 0 HG21 VAL A 29 -1.145 3.223 1.404 1.00 0.85 H new ATOM 0 HG22 VAL A 29 -1.273 3.812 -0.271 1.00 0.85 H new ATOM 0 HG23 VAL A 29 0.024 4.416 0.788 1.00 0.85 H new ATOM 488 N ASN A 30 -1.589 8.271 1.904 1.00 0.99 N ATOM 489 CA ASN A 30 -2.077 9.500 2.596 1.00 1.03 C ATOM 490 C ASN A 30 -2.387 10.561 1.549 1.00 1.06 C ATOM 491 O ASN A 30 -3.069 11.512 1.805 1.00 1.09 O ATOM 492 CB ASN A 30 -0.995 10.025 3.558 1.00 1.08 C ATOM 493 CG ASN A 30 -1.637 10.623 4.810 1.00 1.08 C ATOM 494 OD1 ASN A 30 -1.847 11.817 4.897 1.00 1.11 O ATOM 495 ND2 ASN A 30 -1.958 9.827 5.788 1.00 1.06 N ATOM 0 H ASN A 30 -0.672 7.942 2.208 1.00 0.99 H new ATOM 0 HA ASN A 30 -2.975 9.267 3.169 1.00 1.03 H new ATOM 0 HB2 ASN A 30 -0.324 9.213 3.838 1.00 1.08 H new ATOM 0 HB3 ASN A 30 -0.389 10.780 3.057 1.00 1.08 H new ATOM 0 HD21 ASN A 30 -2.388 10.204 6.633 1.00 1.06 H new ATOM 0 HD22 ASN A 30 -1.780 8.826 5.710 1.00 1.06 H new ATOM 502 N LYS A 31 -1.879 10.394 0.371 1.00 1.07 N ATOM 503 CA LYS A 31 -2.131 11.392 -0.699 1.00 1.11 C ATOM 504 C LYS A 31 -3.521 11.144 -1.247 1.00 1.06 C ATOM 505 O LYS A 31 -4.373 12.017 -1.250 1.00 1.08 O ATOM 506 CB LYS A 31 -1.096 11.227 -1.820 1.00 1.13 C ATOM 507 CG LYS A 31 -1.156 12.432 -2.779 1.00 1.18 C ATOM 508 CD LYS A 31 -0.291 13.582 -2.246 1.00 1.19 C ATOM 509 CE LYS A 31 -0.244 14.704 -3.285 1.00 1.23 C ATOM 510 NZ LYS A 31 0.612 14.284 -4.431 1.00 1.29 N ATOM 0 H LYS A 31 -1.295 9.604 0.097 1.00 1.07 H new ATOM 0 HA LYS A 31 -2.052 12.403 -0.301 1.00 1.11 H new ATOM 0 HB2 LYS A 31 -0.097 11.142 -1.393 1.00 1.13 H new ATOM 0 HB3 LYS A 31 -1.288 10.305 -2.369 1.00 1.13 H new ATOM 0 HG2 LYS A 31 -0.808 12.135 -3.769 1.00 1.18 H new ATOM 0 HG3 LYS A 31 -2.188 12.766 -2.890 1.00 1.18 H new ATOM 0 HD2 LYS A 31 -0.701 13.956 -1.308 1.00 1.19 H new ATOM 0 HD3 LYS A 31 0.717 13.226 -2.033 1.00 1.19 H new ATOM 0 HE2 LYS A 31 -1.251 14.933 -3.634 1.00 1.23 H new ATOM 0 HE3 LYS A 31 0.153 15.614 -2.835 1.00 1.23 H new ATOM 0 HZ1 LYS A 31 1.249 15.064 -4.693 1.00 1.29 H new ATOM 0 HZ2 LYS A 31 1.176 13.454 -4.157 1.00 1.29 H new ATOM 0 HZ3 LYS A 31 0.010 14.041 -5.243 1.00 1.29 H new ATOM 524 N HIS A 32 -3.775 9.946 -1.679 1.00 1.01 N ATOM 525 CA HIS A 32 -5.070 9.615 -2.182 1.00 0.97 C ATOM 526 C HIS A 32 -6.059 9.746 -1.025 1.00 0.95 C ATOM 527 O HIS A 32 -7.218 10.043 -1.204 1.00 0.95 O ATOM 528 CB HIS A 32 -4.938 8.184 -2.650 1.00 0.91 C ATOM 529 CG HIS A 32 -4.337 8.144 -4.030 1.00 0.93 C ATOM 530 ND1 HIS A 32 -4.391 7.014 -4.830 1.00 0.89 N ATOM 531 CD2 HIS A 32 -3.641 9.081 -4.752 1.00 0.98 C ATOM 532 CE1 HIS A 32 -3.742 7.297 -5.974 1.00 0.93 C ATOM 533 NE2 HIS A 32 -3.265 8.544 -5.979 1.00 0.98 N ATOM 0 H HIS A 32 -3.100 9.181 -1.693 1.00 1.01 H new ATOM 0 HA HIS A 32 -5.422 10.253 -2.993 1.00 0.97 H new ATOM 0 HB2 HIS A 32 -4.312 7.623 -1.956 1.00 0.91 H new ATOM 0 HB3 HIS A 32 -5.917 7.704 -2.657 1.00 0.91 H new ATOM 0 HD2 HIS A 32 -3.419 10.084 -4.418 1.00 0.98 H new ATOM 0 HE1 HIS A 32 -3.621 6.600 -6.790 1.00 0.93 H new ATOM 0 HE2 HIS A 32 -2.739 9.004 -6.722 1.00 0.98 H new ATOM 541 N LEU A 33 -5.584 9.557 0.175 1.00 0.95 N ATOM 542 CA LEU A 33 -6.468 9.695 1.363 1.00 0.94 C ATOM 543 C LEU A 33 -6.560 11.180 1.702 1.00 1.01 C ATOM 544 O LEU A 33 -7.632 11.706 1.926 1.00 1.02 O ATOM 545 CB LEU A 33 -5.881 8.891 2.540 1.00 0.92 C ATOM 546 CG LEU A 33 -6.584 7.522 2.678 1.00 0.85 C ATOM 547 CD1 LEU A 33 -5.713 6.567 3.505 1.00 0.82 C ATOM 548 CD2 LEU A 33 -7.937 7.688 3.390 1.00 0.84 C ATOM 0 H LEU A 33 -4.616 9.312 0.383 1.00 0.95 H new ATOM 0 HA LEU A 33 -7.465 9.304 1.159 1.00 0.94 H new ATOM 0 HB2 LEU A 33 -4.812 8.742 2.386 1.00 0.92 H new ATOM 0 HB3 LEU A 33 -5.994 9.457 3.465 1.00 0.92 H new ATOM 0 HG LEU A 33 -6.740 7.115 1.679 1.00 0.85 H new ATOM 0 HD11 LEU A 33 -6.216 5.604 3.598 1.00 0.82 H new ATOM 0 HD12 LEU A 33 -4.752 6.429 3.009 1.00 0.82 H new ATOM 0 HD13 LEU A 33 -5.551 6.989 4.497 1.00 0.82 H new ATOM 0 HD21 LEU A 33 -8.422 6.716 3.481 1.00 0.84 H new ATOM 0 HD22 LEU A 33 -7.776 8.108 4.383 1.00 0.84 H new ATOM 0 HD23 LEU A 33 -8.573 8.358 2.811 1.00 0.84 H new ATOM 560 N ASN A 34 -5.449 11.871 1.727 1.00 1.05 N ATOM 561 CA ASN A 34 -5.507 13.328 2.036 1.00 1.12 C ATOM 562 C ASN A 34 -6.587 13.981 1.162 1.00 1.14 C ATOM 563 O ASN A 34 -7.143 15.000 1.521 1.00 1.18 O ATOM 564 CB ASN A 34 -4.149 13.997 1.756 1.00 1.18 C ATOM 565 CG ASN A 34 -3.217 13.813 2.959 1.00 1.25 C ATOM 566 OD1 ASN A 34 -3.555 13.129 3.904 1.00 1.26 O ATOM 567 ND2 ASN A 34 -2.052 14.400 2.962 1.00 1.29 N ATOM 0 H ASN A 34 -4.518 11.495 1.549 1.00 1.05 H new ATOM 0 HA ASN A 34 -5.746 13.457 3.091 1.00 1.12 H new ATOM 0 HB2 ASN A 34 -3.697 13.562 0.865 1.00 1.18 H new ATOM 0 HB3 ASN A 34 -4.292 15.059 1.555 1.00 1.18 H new ATOM 0 HD21 ASN A 34 -1.425 14.285 3.758 1.00 1.29 H new ATOM 0 HD22 ASN A 34 -1.768 14.974 2.168 1.00 1.29 H new ATOM 574 N LYS A 35 -6.901 13.410 0.019 1.00 1.11 N ATOM 575 CA LYS A 35 -7.957 14.034 -0.837 1.00 1.13 C ATOM 576 C LYS A 35 -9.193 14.279 0.037 1.00 1.11 C ATOM 577 O LYS A 35 -9.619 15.399 0.238 1.00 1.16 O ATOM 578 CB LYS A 35 -8.296 13.076 -2.006 1.00 1.10 C ATOM 579 CG LYS A 35 -8.179 13.805 -3.358 1.00 0.97 C ATOM 580 CD LYS A 35 -6.694 13.986 -3.730 1.00 1.01 C ATOM 581 CE LYS A 35 -6.163 12.728 -4.434 1.00 1.10 C ATOM 582 NZ LYS A 35 -6.433 12.830 -5.896 1.00 1.15 N ATOM 0 H LYS A 35 -6.480 12.557 -0.349 1.00 1.11 H new ATOM 0 HA LYS A 35 -7.613 14.980 -1.255 1.00 1.13 H new ATOM 0 HB2 LYS A 35 -7.621 12.220 -1.989 1.00 1.10 H new ATOM 0 HB3 LYS A 35 -9.307 12.687 -1.883 1.00 1.10 H new ATOM 0 HG2 LYS A 35 -8.690 13.235 -4.134 1.00 0.97 H new ATOM 0 HG3 LYS A 35 -8.670 14.777 -3.301 1.00 0.97 H new ATOM 0 HD2 LYS A 35 -6.578 14.852 -4.382 1.00 1.01 H new ATOM 0 HD3 LYS A 35 -6.109 14.183 -2.832 1.00 1.01 H new ATOM 0 HE2 LYS A 35 -5.093 12.623 -4.257 1.00 1.10 H new ATOM 0 HE3 LYS A 35 -6.643 11.839 -4.025 1.00 1.10 H new ATOM 0 HZ1 LYS A 35 -7.077 12.066 -6.184 1.00 1.15 H new ATOM 0 HZ2 LYS A 35 -6.871 13.750 -6.105 1.00 1.15 H new ATOM 0 HZ3 LYS A 35 -5.539 12.745 -6.421 1.00 1.15 H new ATOM 596 N LEU A 36 -9.745 13.233 0.579 1.00 1.04 N ATOM 597 CA LEU A 36 -10.928 13.384 1.471 1.00 1.02 C ATOM 598 C LEU A 36 -10.415 13.847 2.841 1.00 1.05 C ATOM 599 O LEU A 36 -11.117 13.862 3.827 1.00 1.03 O ATOM 600 CB LEU A 36 -11.613 12.025 1.585 1.00 0.95 C ATOM 601 CG LEU A 36 -12.984 12.128 2.284 1.00 0.94 C ATOM 602 CD1 LEU A 36 -13.920 13.077 1.512 1.00 0.97 C ATOM 603 CD2 LEU A 36 -13.608 10.728 2.345 1.00 0.89 C ATOM 0 H LEU A 36 -9.427 12.274 0.443 1.00 1.04 H new ATOM 0 HA LEU A 36 -11.643 14.110 1.083 1.00 1.02 H new ATOM 0 HB2 LEU A 36 -11.744 11.600 0.590 1.00 0.95 H new ATOM 0 HB3 LEU A 36 -10.972 11.341 2.142 1.00 0.95 H new ATOM 0 HG LEU A 36 -12.846 12.527 3.289 1.00 0.94 H new ATOM 0 HD11 LEU A 36 -14.881 13.135 2.023 1.00 0.97 H new ATOM 0 HD12 LEU A 36 -13.473 14.070 1.466 1.00 0.97 H new ATOM 0 HD13 LEU A 36 -14.069 12.698 0.501 1.00 0.97 H new ATOM 0 HD21 LEU A 36 -14.579 10.784 2.837 1.00 0.89 H new ATOM 0 HD22 LEU A 36 -13.735 10.342 1.334 1.00 0.89 H new ATOM 0 HD23 LEU A 36 -12.954 10.062 2.908 1.00 0.89 H new ATOM 615 N ASN A 37 -9.168 14.215 2.872 1.00 1.11 N ATOM 616 CA ASN A 37 -8.497 14.696 4.111 1.00 1.16 C ATOM 617 C ASN A 37 -8.637 13.698 5.259 1.00 1.11 C ATOM 618 O ASN A 37 -9.346 13.910 6.220 1.00 1.12 O ATOM 619 CB ASN A 37 -9.022 16.074 4.494 1.00 1.22 C ATOM 620 CG ASN A 37 -10.437 16.010 5.081 1.00 1.19 C ATOM 621 OD1 ASN A 37 -10.612 15.838 6.271 1.00 1.16 O ATOM 622 ND2 ASN A 37 -11.463 16.172 4.290 1.00 1.21 N ATOM 0 H ASN A 37 -8.560 14.201 2.053 1.00 1.11 H new ATOM 0 HA ASN A 37 -7.430 14.783 3.906 1.00 1.16 H new ATOM 0 HB2 ASN A 37 -8.349 16.529 5.221 1.00 1.22 H new ATOM 0 HB3 ASN A 37 -9.024 16.718 3.615 1.00 1.22 H new ATOM 0 HD21 ASN A 37 -12.409 16.154 4.671 1.00 1.21 H new ATOM 0 HD22 ASN A 37 -11.319 16.317 3.291 1.00 1.21 H new ATOM 629 N LEU A 38 -7.912 12.619 5.159 1.00 1.06 N ATOM 630 CA LEU A 38 -7.915 11.562 6.227 1.00 1.02 C ATOM 631 C LEU A 38 -6.486 11.455 6.781 1.00 1.02 C ATOM 632 O LEU A 38 -5.721 12.398 6.729 1.00 1.06 O ATOM 633 CB LEU A 38 -8.342 10.206 5.622 1.00 0.98 C ATOM 634 CG LEU A 38 -9.879 10.080 5.557 1.00 0.97 C ATOM 635 CD1 LEU A 38 -10.475 9.916 6.970 1.00 0.96 C ATOM 636 CD2 LEU A 38 -10.486 11.314 4.875 1.00 1.02 C ATOM 0 H LEU A 38 -7.302 12.415 4.367 1.00 1.06 H new ATOM 0 HA LEU A 38 -8.616 11.823 7.020 1.00 1.02 H new ATOM 0 HB2 LEU A 38 -7.924 10.104 4.620 1.00 0.98 H new ATOM 0 HB3 LEU A 38 -7.933 9.393 6.222 1.00 0.98 H new ATOM 0 HG LEU A 38 -10.122 9.193 4.972 1.00 0.97 H new ATOM 0 HD11 LEU A 38 -11.559 9.829 6.900 1.00 0.96 H new ATOM 0 HD12 LEU A 38 -10.068 9.018 7.434 1.00 0.96 H new ATOM 0 HD13 LEU A 38 -10.219 10.785 7.576 1.00 0.96 H new ATOM 0 HD21 LEU A 38 -11.570 11.212 4.836 1.00 1.02 H new ATOM 0 HD22 LEU A 38 -10.226 12.208 5.442 1.00 1.02 H new ATOM 0 HD23 LEU A 38 -10.093 11.400 3.862 1.00 1.02 H new ATOM 648 N GLU A 39 -6.119 10.321 7.303 1.00 1.02 N ATOM 649 CA GLU A 39 -4.741 10.158 7.851 1.00 1.03 C ATOM 650 C GLU A 39 -4.461 8.675 8.126 1.00 0.98 C ATOM 651 O GLU A 39 -5.075 8.074 8.985 1.00 0.95 O ATOM 652 CB GLU A 39 -4.618 10.948 9.155 1.00 1.08 C ATOM 653 CG GLU A 39 -3.150 11.008 9.581 1.00 1.11 C ATOM 654 CD GLU A 39 -3.011 11.908 10.810 1.00 1.16 C ATOM 655 OE1 GLU A 39 -3.633 11.605 11.815 1.00 1.24 O ATOM 656 OE2 GLU A 39 -2.285 12.885 10.726 1.00 1.13 O ATOM 0 H GLU A 39 -6.714 9.496 7.375 1.00 1.02 H new ATOM 0 HA GLU A 39 -4.019 10.531 7.125 1.00 1.03 H new ATOM 0 HB2 GLU A 39 -5.010 11.956 9.020 1.00 1.08 H new ATOM 0 HB3 GLU A 39 -5.215 10.476 9.936 1.00 1.08 H new ATOM 0 HG2 GLU A 39 -2.785 10.006 9.808 1.00 1.11 H new ATOM 0 HG3 GLU A 39 -2.539 11.393 8.765 1.00 1.11 H new ATOM 663 N VAL A 40 -3.533 8.079 7.409 1.00 0.98 N ATOM 664 CA VAL A 40 -3.205 6.631 7.634 1.00 0.94 C ATOM 665 C VAL A 40 -1.864 6.531 8.372 1.00 0.95 C ATOM 666 O VAL A 40 -1.078 7.458 8.364 1.00 0.99 O ATOM 667 CB VAL A 40 -3.118 5.917 6.280 1.00 0.91 C ATOM 668 CG1 VAL A 40 -2.191 6.696 5.332 1.00 0.94 C ATOM 669 CG2 VAL A 40 -2.593 4.489 6.482 1.00 0.89 C ATOM 0 H VAL A 40 -2.988 8.534 6.677 1.00 0.98 H new ATOM 0 HA VAL A 40 -3.982 6.159 8.235 1.00 0.94 H new ATOM 0 HB VAL A 40 -4.112 5.870 5.834 1.00 0.91 H new ATOM 0 HG11 VAL A 40 -2.136 6.181 4.373 1.00 0.94 H new ATOM 0 HG12 VAL A 40 -2.585 7.701 5.182 1.00 0.94 H new ATOM 0 HG13 VAL A 40 -1.194 6.759 5.768 1.00 0.94 H new ATOM 0 HG21 VAL A 40 -2.532 3.984 5.518 1.00 0.89 H new ATOM 0 HG22 VAL A 40 -1.602 4.526 6.935 1.00 0.89 H new ATOM 0 HG23 VAL A 40 -3.271 3.941 7.136 1.00 0.89 H new ATOM 679 N THR A 41 -1.598 5.423 9.028 1.00 0.93 N ATOM 680 CA THR A 41 -0.305 5.289 9.781 1.00 0.95 C ATOM 681 C THR A 41 0.232 3.856 9.705 1.00 0.91 C ATOM 682 O THR A 41 1.298 3.576 10.217 1.00 0.96 O ATOM 683 CB THR A 41 -0.550 5.621 11.263 1.00 1.01 C ATOM 684 OG1 THR A 41 -1.687 6.465 11.375 1.00 1.12 O ATOM 685 CG2 THR A 41 0.672 6.328 11.863 1.00 1.20 C ATOM 0 H THR A 41 -2.214 4.612 9.075 1.00 0.93 H new ATOM 0 HA THR A 41 0.419 5.971 9.335 1.00 0.95 H new ATOM 0 HB THR A 41 -0.722 4.693 11.808 1.00 1.01 H new ATOM 0 HG1 THR A 41 -1.846 6.676 12.319 1.00 1.12 H new ATOM 0 HG21 THR A 41 0.482 6.556 12.912 1.00 1.20 H new ATOM 0 HG22 THR A 41 1.543 5.678 11.785 1.00 1.20 H new ATOM 0 HG23 THR A 41 0.860 7.254 11.319 1.00 1.20 H new ATOM 693 N GLU A 42 -0.494 2.939 9.121 1.00 0.86 N ATOM 694 CA GLU A 42 -0.003 1.526 9.078 1.00 0.83 C ATOM 695 C GLU A 42 -0.269 0.917 7.696 1.00 0.81 C ATOM 696 O GLU A 42 -1.229 0.205 7.495 1.00 0.88 O ATOM 697 CB GLU A 42 -0.735 0.719 10.186 1.00 0.78 C ATOM 698 CG GLU A 42 0.242 0.328 11.305 1.00 0.77 C ATOM 699 CD GLU A 42 0.872 1.589 11.900 1.00 0.78 C ATOM 700 OE1 GLU A 42 0.126 2.454 12.329 1.00 0.83 O ATOM 701 OE2 GLU A 42 2.089 1.668 11.917 1.00 0.84 O ATOM 0 H GLU A 42 -1.397 3.103 8.676 1.00 0.86 H new ATOM 0 HA GLU A 42 1.072 1.495 9.254 1.00 0.83 H new ATOM 0 HB2 GLU A 42 -1.550 1.314 10.599 1.00 0.78 H new ATOM 0 HB3 GLU A 42 -1.181 -0.178 9.756 1.00 0.78 H new ATOM 0 HG2 GLU A 42 -0.282 -0.230 12.081 1.00 0.77 H new ATOM 0 HG3 GLU A 42 1.019 -0.328 10.911 1.00 0.77 H new ATOM 708 N LEU A 43 0.592 1.160 6.748 1.00 0.80 N ATOM 709 CA LEU A 43 0.382 0.556 5.407 1.00 0.78 C ATOM 710 C LEU A 43 0.266 -0.963 5.608 1.00 0.74 C ATOM 711 O LEU A 43 -0.614 -1.616 5.089 1.00 0.70 O ATOM 712 CB LEU A 43 1.589 0.912 4.508 1.00 0.86 C ATOM 713 CG LEU A 43 1.325 0.653 3.004 1.00 0.83 C ATOM 714 CD1 LEU A 43 0.624 -0.683 2.771 1.00 0.85 C ATOM 715 CD2 LEU A 43 0.457 1.777 2.421 1.00 0.90 C ATOM 0 H LEU A 43 1.423 1.744 6.843 1.00 0.80 H new ATOM 0 HA LEU A 43 -0.521 0.931 4.925 1.00 0.78 H new ATOM 0 HB2 LEU A 43 1.843 1.962 4.650 1.00 0.86 H new ATOM 0 HB3 LEU A 43 2.454 0.329 4.824 1.00 0.86 H new ATOM 0 HG LEU A 43 2.294 0.625 2.506 1.00 0.83 H new ATOM 0 HD11 LEU A 43 0.458 -0.825 1.703 1.00 0.85 H new ATOM 0 HD12 LEU A 43 1.247 -1.492 3.152 1.00 0.85 H new ATOM 0 HD13 LEU A 43 -0.334 -0.687 3.291 1.00 0.85 H new ATOM 0 HD21 LEU A 43 0.277 1.586 1.363 1.00 0.90 H new ATOM 0 HD22 LEU A 43 -0.495 1.813 2.950 1.00 0.90 H new ATOM 0 HD23 LEU A 43 0.972 2.731 2.535 1.00 0.90 H new ATOM 727 N GLU A 44 1.153 -1.532 6.366 1.00 0.79 N ATOM 728 CA GLU A 44 1.100 -3.009 6.588 1.00 0.77 C ATOM 729 C GLU A 44 -0.335 -3.481 6.925 1.00 0.69 C ATOM 730 O GLU A 44 -0.939 -4.279 6.224 1.00 0.70 O ATOM 731 CB GLU A 44 2.043 -3.384 7.757 1.00 0.83 C ATOM 732 CG GLU A 44 2.969 -2.216 8.086 1.00 0.84 C ATOM 733 CD GLU A 44 3.953 -2.634 9.181 1.00 0.99 C ATOM 734 OE1 GLU A 44 3.796 -3.724 9.707 1.00 1.11 O ATOM 735 OE2 GLU A 44 4.846 -1.858 9.476 1.00 1.14 O ATOM 0 H GLU A 44 1.912 -1.046 6.843 1.00 0.79 H new ATOM 0 HA GLU A 44 1.415 -3.501 5.668 1.00 0.77 H new ATOM 0 HB2 GLU A 44 1.456 -3.650 8.636 1.00 0.83 H new ATOM 0 HB3 GLU A 44 2.633 -4.261 7.490 1.00 0.83 H new ATOM 0 HG2 GLU A 44 3.513 -1.907 7.193 1.00 0.84 H new ATOM 0 HG3 GLU A 44 2.385 -1.357 8.417 1.00 0.84 H new ATOM 742 N THR A 45 -0.862 -3.015 8.014 1.00 0.65 N ATOM 743 CA THR A 45 -2.221 -3.450 8.446 1.00 0.60 C ATOM 744 C THR A 45 -3.307 -2.775 7.613 1.00 0.58 C ATOM 745 O THR A 45 -4.477 -3.048 7.781 1.00 0.58 O ATOM 746 CB THR A 45 -2.422 -3.087 9.924 1.00 0.65 C ATOM 747 OG1 THR A 45 -2.927 -1.763 10.017 1.00 0.84 O ATOM 748 CG2 THR A 45 -1.088 -3.177 10.671 1.00 0.64 C ATOM 0 H THR A 45 -0.409 -2.344 8.634 1.00 0.65 H new ATOM 0 HA THR A 45 -2.298 -4.528 8.305 1.00 0.60 H new ATOM 0 HB THR A 45 -3.130 -3.784 10.372 1.00 0.65 H new ATOM 0 HG1 THR A 45 -3.058 -1.528 10.959 1.00 0.84 H new ATOM 0 HG21 THR A 45 -1.240 -2.918 11.719 1.00 0.64 H new ATOM 0 HG22 THR A 45 -0.700 -4.193 10.601 1.00 0.64 H new ATOM 0 HG23 THR A 45 -0.374 -2.484 10.226 1.00 0.64 H new ATOM 756 N GLN A 46 -2.953 -1.909 6.711 1.00 0.59 N ATOM 757 CA GLN A 46 -4.001 -1.255 5.898 1.00 0.59 C ATOM 758 C GLN A 46 -4.493 -2.254 4.871 1.00 0.54 C ATOM 759 O GLN A 46 -5.580 -2.136 4.343 1.00 0.58 O ATOM 760 CB GLN A 46 -3.446 -0.012 5.202 1.00 0.65 C ATOM 761 CG GLN A 46 -3.374 1.164 6.212 1.00 0.66 C ATOM 762 CD GLN A 46 -4.528 2.147 5.979 1.00 0.78 C ATOM 763 OE1 GLN A 46 -4.714 2.635 4.882 1.00 0.81 O ATOM 764 NE2 GLN A 46 -5.314 2.457 6.973 1.00 1.04 N ATOM 0 H GLN A 46 -1.994 -1.630 6.505 1.00 0.59 H new ATOM 0 HA GLN A 46 -4.823 -0.937 6.540 1.00 0.59 H new ATOM 0 HB2 GLN A 46 -2.454 -0.220 4.800 1.00 0.65 H new ATOM 0 HB3 GLN A 46 -4.081 0.259 4.359 1.00 0.65 H new ATOM 0 HG2 GLN A 46 -3.417 0.779 7.231 1.00 0.66 H new ATOM 0 HG3 GLN A 46 -2.421 1.682 6.108 1.00 0.66 H new ATOM 0 HE21 GLN A 46 -5.158 2.047 7.894 1.00 1.04 H new ATOM 0 HE22 GLN A 46 -6.085 3.109 6.829 1.00 1.04 H new ATOM 773 N PHE A 47 -3.708 -3.267 4.603 1.00 0.50 N ATOM 774 CA PHE A 47 -4.138 -4.294 3.643 1.00 0.49 C ATOM 775 C PHE A 47 -4.805 -5.376 4.453 1.00 0.46 C ATOM 776 O PHE A 47 -5.535 -6.199 3.944 1.00 0.49 O ATOM 777 CB PHE A 47 -2.928 -4.853 2.904 1.00 0.54 C ATOM 778 CG PHE A 47 -2.560 -3.931 1.759 1.00 0.63 C ATOM 779 CD1 PHE A 47 -2.216 -2.597 2.016 1.00 0.75 C ATOM 780 CD2 PHE A 47 -2.568 -4.406 0.443 1.00 0.71 C ATOM 781 CE1 PHE A 47 -1.881 -1.744 0.956 1.00 0.87 C ATOM 782 CE2 PHE A 47 -2.232 -3.554 -0.615 1.00 0.83 C ATOM 783 CZ PHE A 47 -1.889 -2.223 -0.358 1.00 0.89 C ATOM 0 H PHE A 47 -2.787 -3.416 5.016 1.00 0.50 H new ATOM 0 HA PHE A 47 -4.819 -3.886 2.897 1.00 0.49 H new ATOM 0 HB2 PHE A 47 -2.086 -4.953 3.589 1.00 0.54 H new ATOM 0 HB3 PHE A 47 -3.150 -5.850 2.524 1.00 0.54 H new ATOM 0 HD1 PHE A 47 -2.209 -2.227 3.030 1.00 0.75 H new ATOM 0 HD2 PHE A 47 -2.834 -5.433 0.243 1.00 0.71 H new ATOM 0 HE1 PHE A 47 -1.616 -0.716 1.154 1.00 0.87 H new ATOM 0 HE2 PHE A 47 -2.238 -3.924 -1.630 1.00 0.83 H new ATOM 0 HZ PHE A 47 -1.630 -1.565 -1.174 1.00 0.89 H new ATOM 793 N ALA A 48 -4.595 -5.338 5.734 1.00 0.42 N ATOM 794 CA ALA A 48 -5.248 -6.330 6.628 1.00 0.40 C ATOM 795 C ALA A 48 -6.730 -6.013 6.661 1.00 0.36 C ATOM 796 O ALA A 48 -7.422 -6.262 7.628 1.00 0.36 O ATOM 797 CB ALA A 48 -4.661 -6.246 8.039 1.00 0.42 C ATOM 0 H ALA A 48 -3.996 -4.659 6.205 1.00 0.42 H new ATOM 0 HA ALA A 48 -5.080 -7.341 6.257 1.00 0.40 H new ATOM 0 HB1 ALA A 48 -5.150 -6.979 8.681 1.00 0.42 H new ATOM 0 HB2 ALA A 48 -3.592 -6.453 8.001 1.00 0.42 H new ATOM 0 HB3 ALA A 48 -4.823 -5.246 8.441 1.00 0.42 H new ATOM 803 N ASP A 49 -7.209 -5.447 5.596 1.00 0.34 N ATOM 804 CA ASP A 49 -8.638 -5.079 5.523 1.00 0.32 C ATOM 805 C ASP A 49 -8.994 -4.676 4.090 1.00 0.31 C ATOM 806 O ASP A 49 -10.143 -4.698 3.697 1.00 0.31 O ATOM 807 CB ASP A 49 -8.871 -3.910 6.473 1.00 0.32 C ATOM 808 CG ASP A 49 -8.048 -2.697 6.026 1.00 0.33 C ATOM 809 OD1 ASP A 49 -8.117 -2.350 4.860 1.00 0.34 O ATOM 810 OD2 ASP A 49 -7.361 -2.135 6.863 1.00 0.36 O ATOM 0 H ASP A 49 -6.663 -5.222 4.764 1.00 0.34 H new ATOM 0 HA ASP A 49 -9.266 -5.923 5.808 1.00 0.32 H new ATOM 0 HB2 ASP A 49 -9.930 -3.653 6.493 1.00 0.32 H new ATOM 0 HB3 ASP A 49 -8.592 -4.195 7.488 1.00 0.32 H new ATOM 815 N GLY A 50 -8.018 -4.314 3.302 1.00 0.32 N ATOM 816 CA GLY A 50 -8.316 -3.912 1.888 1.00 0.33 C ATOM 817 C GLY A 50 -9.347 -2.770 1.874 1.00 0.33 C ATOM 818 O GLY A 50 -9.866 -2.383 0.836 1.00 0.34 O ATOM 0 H GLY A 50 -7.034 -4.278 3.568 1.00 0.32 H new ATOM 0 HA2 GLY A 50 -7.400 -3.593 1.391 1.00 0.33 H new ATOM 0 HA3 GLY A 50 -8.700 -4.767 1.331 1.00 0.33 H new ATOM 822 N VAL A 51 -9.644 -2.219 3.014 1.00 0.33 N ATOM 823 CA VAL A 51 -10.622 -1.098 3.067 1.00 0.36 C ATOM 824 C VAL A 51 -9.944 0.155 2.532 1.00 0.40 C ATOM 825 O VAL A 51 -10.363 0.739 1.552 1.00 0.42 O ATOM 826 CB VAL A 51 -11.013 -0.849 4.518 1.00 0.37 C ATOM 827 CG1 VAL A 51 -11.891 0.403 4.612 1.00 0.43 C ATOM 828 CG2 VAL A 51 -11.779 -2.057 5.069 1.00 0.36 C ATOM 0 H VAL A 51 -9.252 -2.496 3.914 1.00 0.33 H new ATOM 0 HA VAL A 51 -11.505 -1.342 2.477 1.00 0.36 H new ATOM 0 HB VAL A 51 -10.108 -0.700 5.107 1.00 0.37 H new ATOM 0 HG11 VAL A 51 -12.168 0.576 5.652 1.00 0.43 H new ATOM 0 HG12 VAL A 51 -11.339 1.264 4.235 1.00 0.43 H new ATOM 0 HG13 VAL A 51 -12.792 0.261 4.016 1.00 0.43 H new ATOM 0 HG21 VAL A 51 -12.055 -1.870 6.107 1.00 0.36 H new ATOM 0 HG22 VAL A 51 -12.680 -2.217 4.477 1.00 0.36 H new ATOM 0 HG23 VAL A 51 -11.147 -2.944 5.015 1.00 0.36 H new ATOM 838 N TYR A 52 -8.886 0.564 3.173 1.00 0.41 N ATOM 839 CA TYR A 52 -8.159 1.769 2.712 1.00 0.47 C ATOM 840 C TYR A 52 -7.763 1.561 1.255 1.00 0.47 C ATOM 841 O TYR A 52 -7.425 2.490 0.550 1.00 0.51 O ATOM 842 CB TYR A 52 -6.903 1.965 3.561 1.00 0.49 C ATOM 843 CG TYR A 52 -7.287 2.024 5.021 1.00 0.51 C ATOM 844 CD1 TYR A 52 -7.770 3.219 5.569 1.00 0.48 C ATOM 845 CD2 TYR A 52 -7.161 0.886 5.826 1.00 0.57 C ATOM 846 CE1 TYR A 52 -8.127 3.275 6.921 1.00 0.51 C ATOM 847 CE2 TYR A 52 -7.517 0.942 7.179 1.00 0.60 C ATOM 848 CZ TYR A 52 -8.000 2.136 7.726 1.00 0.57 C ATOM 849 OH TYR A 52 -8.351 2.192 9.060 1.00 0.60 O ATOM 0 H TYR A 52 -8.495 0.111 3.999 1.00 0.41 H new ATOM 0 HA TYR A 52 -8.793 2.651 2.808 1.00 0.47 H new ATOM 0 HB2 TYR A 52 -6.204 1.146 3.390 1.00 0.49 H new ATOM 0 HB3 TYR A 52 -6.394 2.884 3.270 1.00 0.49 H new ATOM 0 HD1 TYR A 52 -7.867 4.097 4.948 1.00 0.48 H new ATOM 0 HD2 TYR A 52 -6.789 -0.036 5.403 1.00 0.57 H new ATOM 0 HE1 TYR A 52 -8.500 4.196 7.343 1.00 0.51 H new ATOM 0 HE2 TYR A 52 -7.419 0.064 7.800 1.00 0.60 H new ATOM 0 HH TYR A 52 -8.203 1.316 9.474 1.00 0.60 H new ATOM 859 N LEU A 53 -7.807 0.339 0.798 1.00 0.43 N ATOM 860 CA LEU A 53 -7.427 0.071 -0.623 1.00 0.44 C ATOM 861 C LEU A 53 -8.515 0.613 -1.550 1.00 0.45 C ATOM 862 O LEU A 53 -8.273 1.489 -2.356 1.00 0.50 O ATOM 863 CB LEU A 53 -7.251 -1.444 -0.858 1.00 0.41 C ATOM 864 CG LEU A 53 -5.805 -1.873 -0.561 1.00 0.44 C ATOM 865 CD1 LEU A 53 -4.835 -1.276 -1.606 1.00 0.44 C ATOM 866 CD2 LEU A 53 -5.418 -1.407 0.849 1.00 0.46 C ATOM 0 H LEU A 53 -8.086 -0.479 1.339 1.00 0.43 H new ATOM 0 HA LEU A 53 -6.481 0.569 -0.836 1.00 0.44 H new ATOM 0 HB2 LEU A 53 -7.939 -1.999 -0.220 1.00 0.41 H new ATOM 0 HB3 LEU A 53 -7.504 -1.689 -1.889 1.00 0.41 H new ATOM 0 HG LEU A 53 -5.737 -2.959 -0.617 1.00 0.44 H new ATOM 0 HD11 LEU A 53 -3.817 -1.591 -1.379 1.00 0.44 H new ATOM 0 HD12 LEU A 53 -5.110 -1.627 -2.600 1.00 0.44 H new ATOM 0 HD13 LEU A 53 -4.893 -0.188 -1.577 1.00 0.44 H new ATOM 0 HD21 LEU A 53 -4.393 -1.709 1.064 1.00 0.46 H new ATOM 0 HD22 LEU A 53 -5.496 -0.321 0.908 1.00 0.46 H new ATOM 0 HD23 LEU A 53 -6.090 -1.859 1.579 1.00 0.46 H new ATOM 878 N VAL A 54 -9.708 0.097 -1.454 1.00 0.43 N ATOM 879 CA VAL A 54 -10.788 0.591 -2.354 1.00 0.46 C ATOM 880 C VAL A 54 -10.993 2.101 -2.160 1.00 0.51 C ATOM 881 O VAL A 54 -11.443 2.798 -3.055 1.00 0.55 O ATOM 882 CB VAL A 54 -12.083 -0.156 -2.040 1.00 0.44 C ATOM 883 CG1 VAL A 54 -13.090 0.066 -3.170 1.00 0.49 C ATOM 884 CG2 VAL A 54 -11.779 -1.653 -1.910 1.00 0.41 C ATOM 0 H VAL A 54 -9.981 -0.637 -0.800 1.00 0.43 H new ATOM 0 HA VAL A 54 -10.504 0.411 -3.391 1.00 0.46 H new ATOM 0 HB VAL A 54 -12.504 0.216 -1.106 1.00 0.44 H new ATOM 0 HG11 VAL A 54 -14.013 -0.468 -2.945 1.00 0.49 H new ATOM 0 HG12 VAL A 54 -13.301 1.131 -3.266 1.00 0.49 H new ATOM 0 HG13 VAL A 54 -12.675 -0.307 -4.106 1.00 0.49 H new ATOM 0 HG21 VAL A 54 -12.699 -2.193 -1.686 1.00 0.41 H new ATOM 0 HG22 VAL A 54 -11.361 -2.022 -2.846 1.00 0.41 H new ATOM 0 HG23 VAL A 54 -11.061 -1.810 -1.105 1.00 0.41 H new ATOM 894 N LEU A 55 -10.669 2.619 -1.007 1.00 0.52 N ATOM 895 CA LEU A 55 -10.860 4.080 -0.779 1.00 0.58 C ATOM 896 C LEU A 55 -9.820 4.865 -1.586 1.00 0.62 C ATOM 897 O LEU A 55 -10.161 5.675 -2.421 1.00 0.66 O ATOM 898 CB LEU A 55 -10.700 4.385 0.727 1.00 0.59 C ATOM 899 CG LEU A 55 -12.072 4.336 1.435 1.00 0.60 C ATOM 900 CD1 LEU A 55 -11.882 4.034 2.927 1.00 0.58 C ATOM 901 CD2 LEU A 55 -12.786 5.689 1.279 1.00 0.67 C ATOM 0 H LEU A 55 -10.283 2.099 -0.219 1.00 0.52 H new ATOM 0 HA LEU A 55 -11.858 4.376 -1.103 1.00 0.58 H new ATOM 0 HB2 LEU A 55 -10.023 3.661 1.181 1.00 0.59 H new ATOM 0 HB3 LEU A 55 -10.250 5.369 0.860 1.00 0.59 H new ATOM 0 HG LEU A 55 -12.675 3.550 0.981 1.00 0.60 H new ATOM 0 HD11 LEU A 55 -12.854 4.001 3.418 1.00 0.58 H new ATOM 0 HD12 LEU A 55 -11.384 3.071 3.043 1.00 0.58 H new ATOM 0 HD13 LEU A 55 -11.272 4.815 3.381 1.00 0.58 H new ATOM 0 HD21 LEU A 55 -13.753 5.650 1.780 1.00 0.67 H new ATOM 0 HD22 LEU A 55 -12.177 6.475 1.726 1.00 0.67 H new ATOM 0 HD23 LEU A 55 -12.934 5.902 0.220 1.00 0.67 H new ATOM 913 N LEU A 56 -8.557 4.639 -1.346 1.00 0.62 N ATOM 914 CA LEU A 56 -7.520 5.393 -2.106 1.00 0.66 C ATOM 915 C LEU A 56 -7.832 5.310 -3.601 1.00 0.67 C ATOM 916 O LEU A 56 -7.592 6.236 -4.352 1.00 0.72 O ATOM 917 CB LEU A 56 -6.119 4.826 -1.774 1.00 0.65 C ATOM 918 CG LEU A 56 -5.736 3.609 -2.665 1.00 0.69 C ATOM 919 CD1 LEU A 56 -4.989 4.066 -3.935 1.00 0.72 C ATOM 920 CD2 LEU A 56 -4.799 2.665 -1.890 1.00 0.66 C ATOM 0 H LEU A 56 -8.201 3.971 -0.663 1.00 0.62 H new ATOM 0 HA LEU A 56 -7.526 6.444 -1.819 1.00 0.66 H new ATOM 0 HB2 LEU A 56 -5.374 5.612 -1.900 1.00 0.65 H new ATOM 0 HB3 LEU A 56 -6.092 4.527 -0.726 1.00 0.65 H new ATOM 0 HG LEU A 56 -6.660 3.101 -2.941 1.00 0.69 H new ATOM 0 HD11 LEU A 56 -4.733 3.196 -4.540 1.00 0.72 H new ATOM 0 HD12 LEU A 56 -5.628 4.734 -4.513 1.00 0.72 H new ATOM 0 HD13 LEU A 56 -4.077 4.592 -3.651 1.00 0.72 H new ATOM 0 HD21 LEU A 56 -4.535 1.816 -2.520 1.00 0.66 H new ATOM 0 HD22 LEU A 56 -3.894 3.202 -1.608 1.00 0.66 H new ATOM 0 HD23 LEU A 56 -5.304 2.308 -0.992 1.00 0.66 H new ATOM 932 N MET A 57 -8.370 4.208 -4.034 1.00 0.62 N ATOM 933 CA MET A 57 -8.703 4.052 -5.478 1.00 0.63 C ATOM 934 C MET A 57 -9.753 5.089 -5.886 1.00 0.68 C ATOM 935 O MET A 57 -9.653 5.714 -6.923 1.00 0.72 O ATOM 936 CB MET A 57 -9.255 2.647 -5.727 1.00 0.58 C ATOM 937 CG MET A 57 -8.114 1.631 -5.659 1.00 0.55 C ATOM 938 SD MET A 57 -8.780 -0.040 -5.859 1.00 0.60 S ATOM 939 CE MET A 57 -7.244 -0.832 -6.393 1.00 0.57 C ATOM 0 H MET A 57 -8.595 3.403 -3.449 1.00 0.62 H new ATOM 0 HA MET A 57 -7.800 4.202 -6.070 1.00 0.63 H new ATOM 0 HB2 MET A 57 -10.015 2.406 -4.984 1.00 0.58 H new ATOM 0 HB3 MET A 57 -9.738 2.602 -6.703 1.00 0.58 H new ATOM 0 HG2 MET A 57 -7.382 1.838 -6.440 1.00 0.55 H new ATOM 0 HG3 MET A 57 -7.595 1.715 -4.704 1.00 0.55 H new ATOM 0 HE1 MET A 57 -7.289 -1.898 -6.172 1.00 0.57 H new ATOM 0 HE2 MET A 57 -7.115 -0.689 -7.466 1.00 0.57 H new ATOM 0 HE3 MET A 57 -6.402 -0.387 -5.863 1.00 0.57 H new ATOM 949 N GLY A 58 -10.771 5.272 -5.095 1.00 0.67 N ATOM 950 CA GLY A 58 -11.816 6.265 -5.478 1.00 0.73 C ATOM 951 C GLY A 58 -11.275 7.687 -5.351 1.00 0.79 C ATOM 952 O GLY A 58 -11.533 8.533 -6.184 1.00 0.84 O ATOM 0 H GLY A 58 -10.926 4.786 -4.212 1.00 0.67 H new ATOM 0 HA2 GLY A 58 -12.140 6.083 -6.503 1.00 0.73 H new ATOM 0 HA3 GLY A 58 -12.692 6.144 -4.840 1.00 0.73 H new ATOM 956 N LEU A 59 -10.529 7.960 -4.325 1.00 0.79 N ATOM 957 CA LEU A 59 -9.975 9.331 -4.157 1.00 0.86 C ATOM 958 C LEU A 59 -9.009 9.605 -5.296 1.00 0.88 C ATOM 959 O LEU A 59 -8.703 10.738 -5.612 1.00 0.94 O ATOM 960 CB LEU A 59 -9.272 9.434 -2.801 1.00 0.86 C ATOM 961 CG LEU A 59 -10.232 8.908 -1.720 1.00 0.82 C ATOM 962 CD1 LEU A 59 -9.521 8.877 -0.380 1.00 0.82 C ATOM 963 CD2 LEU A 59 -11.467 9.817 -1.625 1.00 0.87 C ATOM 0 H LEU A 59 -10.277 7.295 -3.593 1.00 0.79 H new ATOM 0 HA LEU A 59 -10.772 10.074 -4.182 1.00 0.86 H new ATOM 0 HB2 LEU A 59 -8.350 8.853 -2.806 1.00 0.86 H new ATOM 0 HB3 LEU A 59 -8.996 10.468 -2.594 1.00 0.86 H new ATOM 0 HG LEU A 59 -10.551 7.900 -1.987 1.00 0.82 H new ATOM 0 HD11 LEU A 59 -10.202 8.504 0.385 1.00 0.82 H new ATOM 0 HD12 LEU A 59 -8.653 8.221 -0.444 1.00 0.82 H new ATOM 0 HD13 LEU A 59 -9.196 9.884 -0.117 1.00 0.82 H new ATOM 0 HD21 LEU A 59 -12.141 9.437 -0.857 1.00 0.87 H new ATOM 0 HD22 LEU A 59 -11.155 10.829 -1.365 1.00 0.87 H new ATOM 0 HD23 LEU A 59 -11.983 9.832 -2.585 1.00 0.87 H new ATOM 975 N LEU A 60 -8.559 8.573 -5.944 1.00 0.84 N ATOM 976 CA LEU A 60 -7.647 8.775 -7.101 1.00 0.87 C ATOM 977 C LEU A 60 -8.520 9.223 -8.268 1.00 0.91 C ATOM 978 O LEU A 60 -8.199 10.148 -8.988 1.00 0.96 O ATOM 979 CB LEU A 60 -6.924 7.456 -7.433 1.00 0.82 C ATOM 980 CG LEU A 60 -6.093 7.570 -8.734 1.00 0.87 C ATOM 981 CD1 LEU A 60 -6.995 7.540 -9.993 1.00 0.83 C ATOM 982 CD2 LEU A 60 -5.263 8.862 -8.713 1.00 0.91 C ATOM 0 H LEU A 60 -8.781 7.602 -5.725 1.00 0.84 H new ATOM 0 HA LEU A 60 -6.882 9.521 -6.884 1.00 0.87 H new ATOM 0 HB2 LEU A 60 -6.269 7.182 -6.606 1.00 0.82 H new ATOM 0 HB3 LEU A 60 -7.657 6.656 -7.538 1.00 0.82 H new ATOM 0 HG LEU A 60 -5.427 6.709 -8.782 1.00 0.87 H new ATOM 0 HD11 LEU A 60 -6.376 7.622 -10.886 1.00 0.83 H new ATOM 0 HD12 LEU A 60 -7.550 6.602 -10.021 1.00 0.83 H new ATOM 0 HD13 LEU A 60 -7.695 8.375 -9.959 1.00 0.83 H new ATOM 0 HD21 LEU A 60 -4.681 8.935 -9.632 1.00 0.91 H new ATOM 0 HD22 LEU A 60 -5.929 9.721 -8.636 1.00 0.91 H new ATOM 0 HD23 LEU A 60 -4.589 8.848 -7.856 1.00 0.91 H new ATOM 994 N GLU A 61 -9.646 8.583 -8.438 1.00 0.87 N ATOM 995 CA GLU A 61 -10.570 8.976 -9.535 1.00 0.91 C ATOM 996 C GLU A 61 -11.107 10.380 -9.245 1.00 0.96 C ATOM 997 O GLU A 61 -11.132 11.238 -10.105 1.00 1.00 O ATOM 998 CB GLU A 61 -11.738 7.980 -9.591 1.00 0.86 C ATOM 999 CG GLU A 61 -12.376 8.003 -10.984 1.00 0.82 C ATOM 1000 CD GLU A 61 -13.750 7.331 -10.932 1.00 0.77 C ATOM 1001 OE1 GLU A 61 -13.859 6.300 -10.289 1.00 0.77 O ATOM 1002 OE2 GLU A 61 -14.669 7.859 -11.536 1.00 0.74 O ATOM 0 H GLU A 61 -9.964 7.804 -7.862 1.00 0.87 H new ATOM 0 HA GLU A 61 -10.045 8.971 -10.490 1.00 0.91 H new ATOM 0 HB2 GLU A 61 -11.382 6.976 -9.361 1.00 0.86 H new ATOM 0 HB3 GLU A 61 -12.482 8.236 -8.836 1.00 0.86 H new ATOM 0 HG2 GLU A 61 -12.476 9.031 -11.332 1.00 0.82 H new ATOM 0 HG3 GLU A 61 -11.734 7.486 -11.697 1.00 0.82 H new ATOM 1009 N GLY A 62 -11.534 10.612 -8.026 1.00 0.95 N ATOM 1010 CA GLY A 62 -12.076 11.955 -7.639 1.00 1.01 C ATOM 1011 C GLY A 62 -13.560 11.830 -7.296 1.00 1.00 C ATOM 1012 O GLY A 62 -14.410 12.412 -7.940 1.00 1.03 O ATOM 0 H GLY A 62 -11.530 9.922 -7.275 1.00 0.95 H new ATOM 0 HA2 GLY A 62 -11.526 12.347 -6.783 1.00 1.01 H new ATOM 0 HA3 GLY A 62 -11.940 12.663 -8.457 1.00 1.01 H new ATOM 1016 N TYR A 63 -13.872 11.077 -6.282 1.00 0.96 N ATOM 1017 CA TYR A 63 -15.300 10.909 -5.883 1.00 0.95 C ATOM 1018 C TYR A 63 -15.370 10.342 -4.461 1.00 0.93 C ATOM 1019 O TYR A 63 -14.390 9.871 -3.920 1.00 0.89 O ATOM 1020 CB TYR A 63 -15.997 9.947 -6.858 1.00 0.91 C ATOM 1021 CG TYR A 63 -16.367 10.685 -8.126 1.00 0.95 C ATOM 1022 CD1 TYR A 63 -17.445 11.578 -8.123 1.00 0.99 C ATOM 1023 CD2 TYR A 63 -15.633 10.479 -9.301 1.00 0.94 C ATOM 1024 CE1 TYR A 63 -17.790 12.264 -9.293 1.00 1.03 C ATOM 1025 CE2 TYR A 63 -15.978 11.165 -10.471 1.00 0.98 C ATOM 1026 CZ TYR A 63 -17.057 12.058 -10.467 1.00 1.02 C ATOM 1027 OH TYR A 63 -17.397 12.735 -11.620 1.00 1.06 O ATOM 0 H TYR A 63 -13.200 10.568 -5.708 1.00 0.96 H new ATOM 0 HA TYR A 63 -15.801 11.876 -5.912 1.00 0.95 H new ATOM 0 HB2 TYR A 63 -15.338 9.111 -7.092 1.00 0.91 H new ATOM 0 HB3 TYR A 63 -16.891 9.529 -6.395 1.00 0.91 H new ATOM 0 HD1 TYR A 63 -18.011 11.738 -7.217 1.00 0.99 H new ATOM 0 HD2 TYR A 63 -14.801 9.791 -9.304 1.00 0.94 H new ATOM 0 HE1 TYR A 63 -18.622 12.952 -9.290 1.00 1.03 H new ATOM 0 HE2 TYR A 63 -15.412 11.006 -11.377 1.00 0.98 H new ATOM 0 HH TYR A 63 -16.787 12.478 -12.342 1.00 1.06 H new ATOM 1037 N PHE A 64 -16.526 10.389 -3.854 1.00 0.95 N ATOM 1038 CA PHE A 64 -16.672 9.860 -2.465 1.00 0.93 C ATOM 1039 C PHE A 64 -16.984 8.362 -2.513 1.00 0.86 C ATOM 1040 O PHE A 64 -17.851 7.922 -3.242 1.00 0.83 O ATOM 1041 CB PHE A 64 -17.817 10.594 -1.764 1.00 0.98 C ATOM 1042 CG PHE A 64 -17.529 12.075 -1.749 1.00 1.01 C ATOM 1043 CD1 PHE A 64 -17.953 12.883 -2.811 1.00 0.98 C ATOM 1044 CD2 PHE A 64 -16.836 12.640 -0.673 1.00 1.07 C ATOM 1045 CE1 PHE A 64 -17.684 14.257 -2.795 1.00 1.01 C ATOM 1046 CE2 PHE A 64 -16.566 14.014 -0.658 1.00 1.10 C ATOM 1047 CZ PHE A 64 -16.990 14.822 -1.719 1.00 1.07 C ATOM 0 H PHE A 64 -17.379 10.772 -4.261 1.00 0.95 H new ATOM 0 HA PHE A 64 -15.743 10.017 -1.918 1.00 0.93 H new ATOM 0 HB2 PHE A 64 -18.757 10.401 -2.280 1.00 0.98 H new ATOM 0 HB3 PHE A 64 -17.931 10.224 -0.745 1.00 0.98 H new ATOM 0 HD1 PHE A 64 -18.487 12.447 -3.642 1.00 0.98 H new ATOM 0 HD2 PHE A 64 -16.509 12.016 0.146 1.00 1.07 H new ATOM 0 HE1 PHE A 64 -18.012 14.881 -3.613 1.00 1.01 H new ATOM 0 HE2 PHE A 64 -16.031 14.450 0.172 1.00 1.10 H new ATOM 0 HZ PHE A 64 -16.782 15.882 -1.707 1.00 1.07 H new ATOM 1057 N VAL A 65 -16.284 7.574 -1.734 1.00 0.83 N ATOM 1058 CA VAL A 65 -16.533 6.098 -1.717 1.00 0.76 C ATOM 1059 C VAL A 65 -17.344 5.737 -0.451 1.00 0.76 C ATOM 1060 O VAL A 65 -16.791 5.772 0.630 1.00 0.75 O ATOM 1061 CB VAL A 65 -15.188 5.369 -1.656 1.00 0.71 C ATOM 1062 CG1 VAL A 65 -15.426 3.858 -1.660 1.00 0.67 C ATOM 1063 CG2 VAL A 65 -14.343 5.752 -2.872 1.00 0.76 C ATOM 0 H VAL A 65 -15.546 7.892 -1.105 1.00 0.83 H new ATOM 0 HA VAL A 65 -17.083 5.806 -2.612 1.00 0.76 H new ATOM 0 HB VAL A 65 -14.663 5.654 -0.744 1.00 0.71 H new ATOM 0 HG11 VAL A 65 -14.469 3.339 -1.617 1.00 0.67 H new ATOM 0 HG12 VAL A 65 -16.028 3.582 -0.794 1.00 0.67 H new ATOM 0 HG13 VAL A 65 -15.951 3.575 -2.572 1.00 0.67 H new ATOM 0 HG21 VAL A 65 -13.386 5.233 -2.828 1.00 0.76 H new ATOM 0 HG22 VAL A 65 -14.868 5.468 -3.784 1.00 0.76 H new ATOM 0 HG23 VAL A 65 -14.172 6.829 -2.872 1.00 0.76 H new ATOM 1073 N PRO A 66 -18.621 5.405 -0.582 1.00 0.78 N ATOM 1074 CA PRO A 66 -19.432 5.060 0.602 1.00 0.79 C ATOM 1075 C PRO A 66 -18.787 3.884 1.350 1.00 0.72 C ATOM 1076 O PRO A 66 -17.997 3.143 0.799 1.00 0.67 O ATOM 1077 CB PRO A 66 -20.828 4.695 0.045 1.00 0.81 C ATOM 1078 CG PRO A 66 -20.807 4.985 -1.484 1.00 0.82 C ATOM 1079 CD PRO A 66 -19.353 5.343 -1.869 1.00 0.79 C ATOM 0 HA PRO A 66 -19.503 5.877 1.320 1.00 0.79 H new ATOM 0 HB2 PRO A 66 -21.055 3.646 0.234 1.00 0.81 H new ATOM 0 HB3 PRO A 66 -21.603 5.282 0.537 1.00 0.81 H new ATOM 0 HG2 PRO A 66 -21.149 4.115 -2.044 1.00 0.82 H new ATOM 0 HG3 PRO A 66 -21.481 5.806 -1.728 1.00 0.82 H new ATOM 0 HD2 PRO A 66 -18.924 4.592 -2.532 1.00 0.79 H new ATOM 0 HD3 PRO A 66 -19.307 6.296 -2.396 1.00 0.79 H new ATOM 1087 N LEU A 67 -19.116 3.715 2.601 1.00 0.73 N ATOM 1088 CA LEU A 67 -18.524 2.602 3.388 1.00 0.68 C ATOM 1089 C LEU A 67 -19.005 1.261 2.825 1.00 0.65 C ATOM 1090 O LEU A 67 -18.219 0.383 2.531 1.00 0.60 O ATOM 1091 CB LEU A 67 -18.969 2.739 4.848 1.00 0.72 C ATOM 1092 CG LEU A 67 -18.126 3.807 5.551 1.00 0.74 C ATOM 1093 CD1 LEU A 67 -18.217 5.126 4.780 1.00 0.85 C ATOM 1094 CD2 LEU A 67 -18.655 4.010 6.974 1.00 0.77 C ATOM 0 H LEU A 67 -19.773 4.304 3.113 1.00 0.73 H new ATOM 0 HA LEU A 67 -17.436 2.642 3.328 1.00 0.68 H new ATOM 0 HB2 LEU A 67 -20.024 3.009 4.892 1.00 0.72 H new ATOM 0 HB3 LEU A 67 -18.863 1.783 5.361 1.00 0.72 H new ATOM 0 HG LEU A 67 -17.086 3.484 5.588 1.00 0.74 H new ATOM 0 HD11 LEU A 67 -17.616 5.884 5.283 1.00 0.85 H new ATOM 0 HD12 LEU A 67 -17.844 4.981 3.766 1.00 0.85 H new ATOM 0 HD13 LEU A 67 -19.256 5.454 4.741 1.00 0.85 H new ATOM 0 HD21 LEU A 67 -18.058 4.769 7.479 1.00 0.77 H new ATOM 0 HD22 LEU A 67 -19.695 4.334 6.933 1.00 0.77 H new ATOM 0 HD23 LEU A 67 -18.589 3.071 7.524 1.00 0.77 H new ATOM 1106 N HIS A 68 -20.292 1.092 2.681 1.00 0.69 N ATOM 1107 CA HIS A 68 -20.822 -0.195 2.146 1.00 0.68 C ATOM 1108 C HIS A 68 -20.768 -0.184 0.618 1.00 0.68 C ATOM 1109 O HIS A 68 -21.479 -0.915 -0.041 1.00 0.72 O ATOM 1110 CB HIS A 68 -22.271 -0.374 2.600 1.00 0.75 C ATOM 1111 CG HIS A 68 -23.111 0.738 2.035 1.00 0.81 C ATOM 1112 ND1 HIS A 68 -23.511 0.760 0.708 1.00 0.87 N ATOM 1113 CD2 HIS A 68 -23.632 1.875 2.602 1.00 0.84 C ATOM 1114 CE1 HIS A 68 -24.239 1.876 0.522 1.00 0.91 C ATOM 1115 NE2 HIS A 68 -24.344 2.592 1.645 1.00 0.90 N ATOM 0 H HIS A 68 -20.999 1.790 2.911 1.00 0.69 H new ATOM 0 HA HIS A 68 -20.214 -1.018 2.521 1.00 0.68 H new ATOM 0 HB2 HIS A 68 -22.652 -1.339 2.266 1.00 0.75 H new ATOM 0 HB3 HIS A 68 -22.326 -0.369 3.689 1.00 0.75 H new ATOM 0 HD1 HIS A 68 -23.293 0.058 0.001 1.00 0.87 H new ATOM 0 HD2 HIS A 68 -23.508 2.168 3.634 1.00 0.84 H new ATOM 0 HE1 HIS A 68 -24.684 2.159 -0.420 1.00 0.91 H new ATOM 1123 N SER A 69 -19.929 0.636 0.047 1.00 0.66 N ATOM 1124 CA SER A 69 -19.835 0.682 -1.439 1.00 0.67 C ATOM 1125 C SER A 69 -18.985 -0.479 -1.925 1.00 0.61 C ATOM 1126 O SER A 69 -19.190 -1.027 -2.990 1.00 0.63 O ATOM 1127 CB SER A 69 -19.191 2.006 -1.871 1.00 0.69 C ATOM 1128 OG SER A 69 -19.809 2.455 -3.070 1.00 0.69 O ATOM 0 H SER A 69 -19.307 1.274 0.543 1.00 0.66 H new ATOM 0 HA SER A 69 -20.833 0.608 -1.870 1.00 0.67 H new ATOM 0 HB2 SER A 69 -19.306 2.754 -1.086 1.00 0.69 H new ATOM 0 HB3 SER A 69 -18.121 1.870 -2.028 1.00 0.69 H new ATOM 0 HG SER A 69 -19.119 2.680 -3.729 1.00 0.69 H new ATOM 1134 N PHE A 70 -18.020 -0.839 -1.145 1.00 0.56 N ATOM 1135 CA PHE A 70 -17.111 -1.955 -1.527 1.00 0.51 C ATOM 1136 C PHE A 70 -17.644 -3.278 -0.967 1.00 0.50 C ATOM 1137 O PHE A 70 -18.838 -3.476 -0.860 1.00 0.56 O ATOM 1138 CB PHE A 70 -15.690 -1.661 -1.011 1.00 0.48 C ATOM 1139 CG PHE A 70 -15.523 -2.008 0.460 1.00 0.49 C ATOM 1140 CD1 PHE A 70 -16.597 -1.912 1.360 1.00 0.52 C ATOM 1141 CD2 PHE A 70 -14.264 -2.420 0.923 1.00 0.49 C ATOM 1142 CE1 PHE A 70 -16.408 -2.230 2.711 1.00 0.55 C ATOM 1143 CE2 PHE A 70 -14.080 -2.736 2.273 1.00 0.51 C ATOM 1144 CZ PHE A 70 -15.151 -2.642 3.166 1.00 0.54 C ATOM 0 H PHE A 70 -17.813 -0.406 -0.245 1.00 0.56 H new ATOM 0 HA PHE A 70 -17.071 -2.042 -2.613 1.00 0.51 H new ATOM 0 HB2 PHE A 70 -14.968 -2.228 -1.599 1.00 0.48 H new ATOM 0 HB3 PHE A 70 -15.464 -0.605 -1.160 1.00 0.48 H new ATOM 0 HD1 PHE A 70 -17.568 -1.593 1.011 1.00 0.52 H new ATOM 0 HD2 PHE A 70 -13.435 -2.493 0.235 1.00 0.49 H new ATOM 0 HE1 PHE A 70 -17.234 -2.157 3.403 1.00 0.55 H new ATOM 0 HE2 PHE A 70 -13.110 -3.053 2.626 1.00 0.51 H new ATOM 0 HZ PHE A 70 -15.008 -2.888 4.208 1.00 0.54 H new ATOM 1154 N PHE A 71 -16.778 -4.189 -0.620 1.00 0.45 N ATOM 1155 CA PHE A 71 -17.257 -5.495 -0.083 1.00 0.45 C ATOM 1156 C PHE A 71 -17.739 -5.301 1.360 1.00 0.50 C ATOM 1157 O PHE A 71 -17.884 -4.191 1.829 1.00 0.51 O ATOM 1158 CB PHE A 71 -16.102 -6.521 -0.133 1.00 0.41 C ATOM 1159 CG PHE A 71 -16.644 -7.911 -0.399 1.00 0.40 C ATOM 1160 CD1 PHE A 71 -16.966 -8.295 -1.707 1.00 0.43 C ATOM 1161 CD2 PHE A 71 -16.823 -8.811 0.658 1.00 0.41 C ATOM 1162 CE1 PHE A 71 -17.468 -9.577 -1.957 1.00 0.46 C ATOM 1163 CE2 PHE A 71 -17.325 -10.095 0.407 1.00 0.44 C ATOM 1164 CZ PHE A 71 -17.647 -10.477 -0.900 1.00 0.46 C ATOM 0 H PHE A 71 -15.765 -4.088 -0.684 1.00 0.45 H new ATOM 0 HA PHE A 71 -18.086 -5.867 -0.686 1.00 0.45 H new ATOM 0 HB2 PHE A 71 -15.394 -6.244 -0.914 1.00 0.41 H new ATOM 0 HB3 PHE A 71 -15.556 -6.511 0.810 1.00 0.41 H new ATOM 0 HD1 PHE A 71 -16.827 -7.601 -2.523 1.00 0.43 H new ATOM 0 HD2 PHE A 71 -16.574 -8.516 1.667 1.00 0.41 H new ATOM 0 HE1 PHE A 71 -17.717 -9.872 -2.966 1.00 0.46 H new ATOM 0 HE2 PHE A 71 -17.463 -10.790 1.222 1.00 0.44 H new ATOM 0 HZ PHE A 71 -18.034 -11.467 -1.093 1.00 0.46 H new ATOM 1174 N LEU A 72 -17.989 -6.368 2.067 1.00 0.54 N ATOM 1175 CA LEU A 72 -18.457 -6.230 3.476 1.00 0.59 C ATOM 1176 C LEU A 72 -17.253 -5.956 4.379 1.00 0.57 C ATOM 1177 O LEU A 72 -16.147 -5.769 3.913 1.00 0.59 O ATOM 1178 CB LEU A 72 -19.148 -7.523 3.918 1.00 0.64 C ATOM 1179 CG LEU A 72 -20.081 -8.013 2.807 1.00 0.66 C ATOM 1180 CD1 LEU A 72 -20.875 -9.222 3.306 1.00 0.72 C ATOM 1181 CD2 LEU A 72 -21.050 -6.892 2.417 1.00 0.71 C ATOM 0 H LEU A 72 -17.890 -7.326 1.732 1.00 0.54 H new ATOM 0 HA LEU A 72 -19.165 -5.404 3.548 1.00 0.59 H new ATOM 0 HB2 LEU A 72 -18.403 -8.286 4.144 1.00 0.64 H new ATOM 0 HB3 LEU A 72 -19.715 -7.350 4.833 1.00 0.64 H new ATOM 0 HG LEU A 72 -19.489 -8.298 1.937 1.00 0.66 H new ATOM 0 HD11 LEU A 72 -21.540 -9.572 2.516 1.00 0.72 H new ATOM 0 HD12 LEU A 72 -20.187 -10.021 3.581 1.00 0.72 H new ATOM 0 HD13 LEU A 72 -21.465 -8.936 4.176 1.00 0.72 H new ATOM 0 HD21 LEU A 72 -21.713 -7.243 1.626 1.00 0.71 H new ATOM 0 HD22 LEU A 72 -21.642 -6.604 3.286 1.00 0.71 H new ATOM 0 HD23 LEU A 72 -20.485 -6.030 2.061 1.00 0.71 H new ATOM 1193 N THR A 73 -17.456 -5.929 5.669 1.00 0.53 N ATOM 1194 CA THR A 73 -16.324 -5.667 6.597 1.00 0.52 C ATOM 1195 C THR A 73 -15.583 -6.999 6.870 1.00 0.44 C ATOM 1196 O THR A 73 -16.229 -7.972 7.207 1.00 0.43 O ATOM 1197 CB THR A 73 -16.892 -5.125 7.914 1.00 0.59 C ATOM 1198 OG1 THR A 73 -18.067 -5.849 8.250 1.00 0.59 O ATOM 1199 CG2 THR A 73 -17.233 -3.640 7.762 1.00 0.61 C ATOM 0 H THR A 73 -18.359 -6.078 6.119 1.00 0.53 H new ATOM 0 HA THR A 73 -15.633 -4.945 6.162 1.00 0.52 H new ATOM 0 HB THR A 73 -16.149 -5.242 8.703 1.00 0.59 H new ATOM 0 HG1 THR A 73 -17.935 -6.799 8.047 1.00 0.59 H new ATOM 0 HG21 THR A 73 -17.636 -3.261 8.701 1.00 0.61 H new ATOM 0 HG22 THR A 73 -16.332 -3.084 7.504 1.00 0.61 H new ATOM 0 HG23 THR A 73 -17.974 -3.516 6.973 1.00 0.61 H new ATOM 1207 N PRO A 74 -14.262 -7.040 6.733 1.00 0.42 N ATOM 1208 CA PRO A 74 -13.521 -8.291 6.990 1.00 0.35 C ATOM 1209 C PRO A 74 -13.767 -8.748 8.433 1.00 0.35 C ATOM 1210 O PRO A 74 -13.713 -7.961 9.358 1.00 0.40 O ATOM 1211 CB PRO A 74 -12.032 -7.937 6.751 1.00 0.37 C ATOM 1212 CG PRO A 74 -11.967 -6.430 6.370 1.00 0.45 C ATOM 1213 CD PRO A 74 -13.415 -5.894 6.327 1.00 0.47 C ATOM 0 HA PRO A 74 -13.836 -9.111 6.344 1.00 0.35 H new ATOM 0 HB2 PRO A 74 -11.443 -8.132 7.647 1.00 0.37 H new ATOM 0 HB3 PRO A 74 -11.614 -8.553 5.954 1.00 0.37 H new ATOM 0 HG2 PRO A 74 -11.376 -5.876 7.099 1.00 0.45 H new ATOM 0 HG3 PRO A 74 -11.482 -6.301 5.402 1.00 0.45 H new ATOM 0 HD2 PRO A 74 -13.543 -5.049 7.004 1.00 0.47 H new ATOM 0 HD3 PRO A 74 -13.677 -5.544 5.328 1.00 0.47 H new ATOM 1221 N ASP A 75 -14.037 -10.016 8.626 1.00 0.34 N ATOM 1222 CA ASP A 75 -14.292 -10.548 10.004 1.00 0.38 C ATOM 1223 C ASP A 75 -13.151 -11.491 10.385 1.00 0.36 C ATOM 1224 O ASP A 75 -12.665 -11.475 11.499 1.00 0.36 O ATOM 1225 CB ASP A 75 -15.639 -11.310 10.007 1.00 0.46 C ATOM 1226 CG ASP A 75 -16.466 -10.942 11.247 1.00 0.82 C ATOM 1227 OD1 ASP A 75 -16.906 -9.807 11.326 1.00 0.82 O ATOM 1228 OD2 ASP A 75 -16.644 -11.803 12.093 1.00 1.34 O ATOM 0 H ASP A 75 -14.092 -10.712 7.882 1.00 0.34 H new ATOM 0 HA ASP A 75 -14.342 -9.733 10.726 1.00 0.38 H new ATOM 0 HB2 ASP A 75 -16.201 -11.070 9.104 1.00 0.46 H new ATOM 0 HB3 ASP A 75 -15.455 -12.384 9.992 1.00 0.46 H new ATOM 1233 N SER A 76 -12.727 -12.314 9.461 1.00 0.38 N ATOM 1234 CA SER A 76 -11.620 -13.277 9.739 1.00 0.41 C ATOM 1235 C SER A 76 -10.510 -13.099 8.704 1.00 0.39 C ATOM 1236 O SER A 76 -10.501 -12.163 7.929 1.00 0.37 O ATOM 1237 CB SER A 76 -12.160 -14.706 9.678 1.00 0.51 C ATOM 1238 OG SER A 76 -13.054 -14.831 8.583 1.00 0.54 O ATOM 0 H SER A 76 -13.105 -12.360 8.515 1.00 0.38 H new ATOM 0 HA SER A 76 -11.215 -13.086 10.733 1.00 0.41 H new ATOM 0 HB2 SER A 76 -11.337 -15.412 9.571 1.00 0.51 H new ATOM 0 HB3 SER A 76 -12.672 -14.952 10.608 1.00 0.51 H new ATOM 0 HG SER A 76 -13.920 -14.438 8.821 1.00 0.54 H new ATOM 1244 N PHE A 77 -9.563 -13.987 8.713 1.00 0.42 N ATOM 1245 CA PHE A 77 -8.419 -13.894 7.768 1.00 0.44 C ATOM 1246 C PHE A 77 -8.885 -14.053 6.345 1.00 0.48 C ATOM 1247 O PHE A 77 -8.693 -13.196 5.533 1.00 0.49 O ATOM 1248 CB PHE A 77 -7.433 -15.016 8.098 1.00 0.50 C ATOM 1249 CG PHE A 77 -6.277 -15.055 7.109 1.00 0.59 C ATOM 1250 CD1 PHE A 77 -5.526 -13.900 6.834 1.00 0.63 C ATOM 1251 CD2 PHE A 77 -5.941 -16.266 6.484 1.00 0.74 C ATOM 1252 CE1 PHE A 77 -4.445 -13.961 5.935 1.00 0.80 C ATOM 1253 CE2 PHE A 77 -4.868 -16.322 5.588 1.00 0.87 C ATOM 1254 CZ PHE A 77 -4.121 -15.171 5.315 1.00 0.90 C ATOM 0 H PHE A 77 -9.531 -14.787 9.345 1.00 0.42 H new ATOM 0 HA PHE A 77 -7.948 -12.916 7.870 1.00 0.44 H new ATOM 0 HB2 PHE A 77 -7.045 -14.875 9.107 1.00 0.50 H new ATOM 0 HB3 PHE A 77 -7.954 -15.973 8.088 1.00 0.50 H new ATOM 0 HD1 PHE A 77 -5.778 -12.965 7.313 1.00 0.63 H new ATOM 0 HD2 PHE A 77 -6.513 -17.158 6.695 1.00 0.74 H new ATOM 0 HE1 PHE A 77 -3.866 -13.074 5.724 1.00 0.80 H new ATOM 0 HE2 PHE A 77 -4.616 -17.255 5.106 1.00 0.87 H new ATOM 0 HZ PHE A 77 -3.292 -15.218 4.624 1.00 0.90 H new ATOM 1264 N GLU A 78 -9.487 -15.141 6.043 1.00 0.51 N ATOM 1265 CA GLU A 78 -9.961 -15.369 4.647 1.00 0.56 C ATOM 1266 C GLU A 78 -10.695 -14.124 4.139 1.00 0.53 C ATOM 1267 O GLU A 78 -10.546 -13.727 3.002 1.00 0.59 O ATOM 1268 CB GLU A 78 -10.897 -16.602 4.637 1.00 0.63 C ATOM 1269 CG GLU A 78 -10.390 -17.656 3.646 1.00 1.05 C ATOM 1270 CD GLU A 78 -11.357 -18.841 3.618 1.00 1.14 C ATOM 1271 OE1 GLU A 78 -11.334 -19.622 4.555 1.00 1.45 O ATOM 1272 OE2 GLU A 78 -12.103 -18.948 2.658 1.00 1.04 O ATOM 0 H GLU A 78 -9.681 -15.900 6.697 1.00 0.51 H new ATOM 0 HA GLU A 78 -9.114 -15.556 3.986 1.00 0.56 H new ATOM 0 HB2 GLU A 78 -10.952 -17.032 5.637 1.00 0.63 H new ATOM 0 HB3 GLU A 78 -11.907 -16.296 4.366 1.00 0.63 H new ATOM 0 HG2 GLU A 78 -10.303 -17.221 2.650 1.00 1.05 H new ATOM 0 HG3 GLU A 78 -9.394 -17.993 3.935 1.00 1.05 H new ATOM 1279 N GLN A 79 -11.482 -13.513 4.966 1.00 0.46 N ATOM 1280 CA GLN A 79 -12.225 -12.319 4.544 1.00 0.45 C ATOM 1281 C GLN A 79 -11.256 -11.174 4.256 1.00 0.40 C ATOM 1282 O GLN A 79 -11.504 -10.341 3.406 1.00 0.41 O ATOM 1283 CB GLN A 79 -13.168 -11.978 5.681 1.00 0.49 C ATOM 1284 CG GLN A 79 -13.974 -13.231 6.024 1.00 0.49 C ATOM 1285 CD GLN A 79 -15.075 -12.884 7.024 1.00 0.46 C ATOM 1286 OE1 GLN A 79 -15.264 -13.579 8.002 1.00 0.47 O ATOM 1287 NE2 GLN A 79 -15.820 -11.833 6.815 1.00 0.45 N ATOM 0 H GLN A 79 -11.641 -13.800 5.932 1.00 0.46 H new ATOM 0 HA GLN A 79 -12.786 -12.494 3.626 1.00 0.45 H new ATOM 0 HB2 GLN A 79 -12.607 -11.637 6.551 1.00 0.49 H new ATOM 0 HB3 GLN A 79 -13.834 -11.165 5.392 1.00 0.49 H new ATOM 0 HG2 GLN A 79 -14.412 -13.651 5.119 1.00 0.49 H new ATOM 0 HG3 GLN A 79 -13.317 -13.993 6.443 1.00 0.49 H new ATOM 0 HE21 GLN A 79 -15.660 -11.250 5.993 1.00 0.45 H new ATOM 0 HE22 GLN A 79 -16.562 -11.595 7.473 1.00 0.45 H new ATOM 1296 N LYS A 80 -10.145 -11.136 4.930 1.00 0.39 N ATOM 1297 CA LYS A 80 -9.157 -10.059 4.659 1.00 0.38 C ATOM 1298 C LYS A 80 -8.395 -10.431 3.387 1.00 0.39 C ATOM 1299 O LYS A 80 -8.237 -9.637 2.482 1.00 0.40 O ATOM 1300 CB LYS A 80 -8.184 -9.950 5.834 1.00 0.41 C ATOM 1301 CG LYS A 80 -8.905 -9.340 7.038 1.00 0.50 C ATOM 1302 CD LYS A 80 -8.027 -9.472 8.284 1.00 0.51 C ATOM 1303 CE LYS A 80 -8.830 -9.061 9.520 1.00 0.51 C ATOM 1304 NZ LYS A 80 -9.289 -7.651 9.367 1.00 1.03 N ATOM 0 H LYS A 80 -9.878 -11.802 5.655 1.00 0.39 H new ATOM 0 HA LYS A 80 -9.660 -9.100 4.532 1.00 0.38 H new ATOM 0 HB2 LYS A 80 -7.795 -10.935 6.090 1.00 0.41 H new ATOM 0 HB3 LYS A 80 -7.330 -9.332 5.557 1.00 0.41 H new ATOM 0 HG2 LYS A 80 -9.128 -8.290 6.847 1.00 0.50 H new ATOM 0 HG3 LYS A 80 -9.858 -9.844 7.197 1.00 0.50 H new ATOM 0 HD2 LYS A 80 -7.678 -10.499 8.389 1.00 0.51 H new ATOM 0 HD3 LYS A 80 -7.142 -8.843 8.187 1.00 0.51 H new ATOM 0 HE2 LYS A 80 -9.687 -9.722 9.647 1.00 0.51 H new ATOM 0 HE3 LYS A 80 -8.216 -9.160 10.415 1.00 0.51 H new ATOM 0 HZ1 LYS A 80 -9.063 -7.117 10.230 1.00 1.03 H new ATOM 0 HZ2 LYS A 80 -8.808 -7.216 8.554 1.00 1.03 H new ATOM 0 HZ3 LYS A 80 -10.317 -7.636 9.210 1.00 1.03 H new ATOM 1318 N VAL A 81 -7.936 -11.651 3.317 1.00 0.44 N ATOM 1319 CA VAL A 81 -7.196 -12.120 2.118 1.00 0.47 C ATOM 1320 C VAL A 81 -8.048 -11.869 0.881 1.00 0.45 C ATOM 1321 O VAL A 81 -7.539 -11.720 -0.204 1.00 0.46 O ATOM 1322 CB VAL A 81 -6.921 -13.620 2.243 1.00 0.54 C ATOM 1323 CG1 VAL A 81 -6.068 -14.085 1.061 1.00 0.60 C ATOM 1324 CG2 VAL A 81 -6.173 -13.900 3.547 1.00 0.56 C ATOM 0 H VAL A 81 -8.046 -12.350 4.052 1.00 0.44 H new ATOM 0 HA VAL A 81 -6.251 -11.582 2.035 1.00 0.47 H new ATOM 0 HB VAL A 81 -7.868 -14.159 2.245 1.00 0.54 H new ATOM 0 HG11 VAL A 81 -5.873 -15.154 1.151 1.00 0.60 H new ATOM 0 HG12 VAL A 81 -6.600 -13.891 0.130 1.00 0.60 H new ATOM 0 HG13 VAL A 81 -5.123 -13.542 1.059 1.00 0.60 H new ATOM 0 HG21 VAL A 81 -5.979 -14.969 3.633 1.00 0.56 H new ATOM 0 HG22 VAL A 81 -5.227 -13.358 3.547 1.00 0.56 H new ATOM 0 HG23 VAL A 81 -6.779 -13.572 4.392 1.00 0.56 H new ATOM 1334 N LEU A 82 -9.345 -11.833 1.034 1.00 0.44 N ATOM 1335 CA LEU A 82 -10.227 -11.595 -0.149 1.00 0.44 C ATOM 1336 C LEU A 82 -10.329 -10.105 -0.422 1.00 0.38 C ATOM 1337 O LEU A 82 -10.260 -9.674 -1.548 1.00 0.38 O ATOM 1338 CB LEU A 82 -11.624 -12.176 0.121 1.00 0.47 C ATOM 1339 CG LEU A 82 -12.378 -12.391 -1.208 1.00 0.49 C ATOM 1340 CD1 LEU A 82 -12.009 -13.753 -1.810 1.00 0.53 C ATOM 1341 CD2 LEU A 82 -13.890 -12.355 -0.957 1.00 0.54 C ATOM 0 H LEU A 82 -9.831 -11.957 1.922 1.00 0.44 H new ATOM 0 HA LEU A 82 -9.799 -12.088 -1.022 1.00 0.44 H new ATOM 0 HB2 LEU A 82 -11.535 -13.122 0.654 1.00 0.47 H new ATOM 0 HB3 LEU A 82 -12.189 -11.500 0.763 1.00 0.47 H new ATOM 0 HG LEU A 82 -12.097 -11.598 -1.900 1.00 0.49 H new ATOM 0 HD11 LEU A 82 -12.547 -13.894 -2.748 1.00 0.53 H new ATOM 0 HD12 LEU A 82 -10.936 -13.789 -1.998 1.00 0.53 H new ATOM 0 HD13 LEU A 82 -12.282 -14.545 -1.113 1.00 0.53 H new ATOM 0 HD21 LEU A 82 -14.419 -12.507 -1.898 1.00 0.54 H new ATOM 0 HD22 LEU A 82 -14.161 -13.145 -0.256 1.00 0.54 H new ATOM 0 HD23 LEU A 82 -14.166 -11.387 -0.538 1.00 0.54 H new ATOM 1353 N ASN A 83 -10.489 -9.312 0.582 1.00 0.35 N ATOM 1354 CA ASN A 83 -10.579 -7.856 0.335 1.00 0.32 C ATOM 1355 C ASN A 83 -9.279 -7.410 -0.349 1.00 0.31 C ATOM 1356 O ASN A 83 -9.261 -6.472 -1.127 1.00 0.30 O ATOM 1357 CB ASN A 83 -10.787 -7.120 1.678 1.00 0.31 C ATOM 1358 CG ASN A 83 -11.859 -6.034 1.522 1.00 0.33 C ATOM 1359 OD1 ASN A 83 -11.648 -4.893 1.882 1.00 0.35 O ATOM 1360 ND2 ASN A 83 -13.007 -6.353 0.991 1.00 0.36 N ATOM 0 H ASN A 83 -10.561 -9.601 1.557 1.00 0.35 H new ATOM 0 HA ASN A 83 -11.424 -7.618 -0.311 1.00 0.32 H new ATOM 0 HB2 ASN A 83 -11.087 -7.830 2.448 1.00 0.31 H new ATOM 0 HB3 ASN A 83 -9.849 -6.672 2.005 1.00 0.31 H new ATOM 0 HD21 ASN A 83 -13.731 -5.644 0.877 1.00 0.36 H new ATOM 0 HD22 ASN A 83 -13.181 -7.312 0.690 1.00 0.36 H new ATOM 1367 N VAL A 84 -8.190 -8.095 -0.086 1.00 0.34 N ATOM 1368 CA VAL A 84 -6.899 -7.721 -0.742 1.00 0.37 C ATOM 1369 C VAL A 84 -6.793 -8.446 -2.068 1.00 0.39 C ATOM 1370 O VAL A 84 -6.194 -7.964 -2.987 1.00 0.41 O ATOM 1371 CB VAL A 84 -5.699 -8.085 0.132 1.00 0.41 C ATOM 1372 CG1 VAL A 84 -4.425 -7.575 -0.544 1.00 0.47 C ATOM 1373 CG2 VAL A 84 -5.858 -7.422 1.508 1.00 0.40 C ATOM 0 H VAL A 84 -8.141 -8.891 0.550 1.00 0.34 H new ATOM 0 HA VAL A 84 -6.890 -6.642 -0.893 1.00 0.37 H new ATOM 0 HB VAL A 84 -5.639 -9.166 0.259 1.00 0.41 H new ATOM 0 HG11 VAL A 84 -3.561 -7.829 0.070 1.00 0.47 H new ATOM 0 HG12 VAL A 84 -4.322 -8.040 -1.525 1.00 0.47 H new ATOM 0 HG13 VAL A 84 -4.483 -6.493 -0.660 1.00 0.47 H new ATOM 0 HG21 VAL A 84 -5.005 -7.678 2.136 1.00 0.40 H new ATOM 0 HG22 VAL A 84 -5.908 -6.340 1.387 1.00 0.40 H new ATOM 0 HG23 VAL A 84 -6.775 -7.777 1.979 1.00 0.40 H new ATOM 1383 N SER A 85 -7.378 -9.599 -2.180 1.00 0.41 N ATOM 1384 CA SER A 85 -7.313 -10.323 -3.470 1.00 0.46 C ATOM 1385 C SER A 85 -8.041 -9.458 -4.482 1.00 0.42 C ATOM 1386 O SER A 85 -7.768 -9.461 -5.662 1.00 0.45 O ATOM 1387 CB SER A 85 -8.015 -11.676 -3.345 1.00 0.50 C ATOM 1388 OG SER A 85 -7.812 -12.422 -4.537 1.00 0.53 O ATOM 0 H SER A 85 -7.896 -10.069 -1.438 1.00 0.41 H new ATOM 0 HA SER A 85 -6.281 -10.506 -3.770 1.00 0.46 H new ATOM 0 HB2 SER A 85 -7.623 -12.224 -2.488 1.00 0.50 H new ATOM 0 HB3 SER A 85 -9.081 -11.531 -3.170 1.00 0.50 H new ATOM 0 HG SER A 85 -8.259 -13.290 -4.460 1.00 0.53 H new ATOM 1394 N PHE A 86 -8.973 -8.710 -3.989 1.00 0.38 N ATOM 1395 CA PHE A 86 -9.776 -7.810 -4.850 1.00 0.36 C ATOM 1396 C PHE A 86 -8.938 -6.591 -5.237 1.00 0.34 C ATOM 1397 O PHE A 86 -8.740 -6.288 -6.392 1.00 0.35 O ATOM 1398 CB PHE A 86 -11.006 -7.361 -4.058 1.00 0.35 C ATOM 1399 CG PHE A 86 -11.684 -6.170 -4.709 1.00 0.32 C ATOM 1400 CD1 PHE A 86 -11.698 -6.025 -6.104 1.00 0.31 C ATOM 1401 CD2 PHE A 86 -12.311 -5.214 -3.904 1.00 0.32 C ATOM 1402 CE1 PHE A 86 -12.341 -4.926 -6.686 1.00 0.31 C ATOM 1403 CE2 PHE A 86 -12.951 -4.115 -4.486 1.00 0.32 C ATOM 1404 CZ PHE A 86 -12.967 -3.971 -5.877 1.00 0.32 C ATOM 0 H PHE A 86 -9.220 -8.682 -3.000 1.00 0.38 H new ATOM 0 HA PHE A 86 -10.083 -8.329 -5.758 1.00 0.36 H new ATOM 0 HB2 PHE A 86 -11.713 -8.187 -3.983 1.00 0.35 H new ATOM 0 HB3 PHE A 86 -10.710 -7.102 -3.041 1.00 0.35 H new ATOM 0 HD1 PHE A 86 -11.213 -6.761 -6.729 1.00 0.31 H new ATOM 0 HD2 PHE A 86 -12.301 -5.325 -2.830 1.00 0.32 H new ATOM 0 HE1 PHE A 86 -12.354 -4.815 -7.760 1.00 0.31 H new ATOM 0 HE2 PHE A 86 -13.433 -3.378 -3.861 1.00 0.32 H new ATOM 0 HZ PHE A 86 -13.462 -3.123 -6.327 1.00 0.32 H new ATOM 1414 N ALA A 87 -8.435 -5.888 -4.276 1.00 0.32 N ATOM 1415 CA ALA A 87 -7.600 -4.700 -4.608 1.00 0.33 C ATOM 1416 C ALA A 87 -6.484 -5.177 -5.532 1.00 0.38 C ATOM 1417 O ALA A 87 -6.045 -4.485 -6.425 1.00 0.39 O ATOM 1418 CB ALA A 87 -6.997 -4.112 -3.328 1.00 0.35 C ATOM 0 H ALA A 87 -8.560 -6.076 -3.281 1.00 0.32 H new ATOM 0 HA ALA A 87 -8.200 -3.928 -5.089 1.00 0.33 H new ATOM 0 HB1 ALA A 87 -6.388 -3.244 -3.578 1.00 0.35 H new ATOM 0 HB2 ALA A 87 -7.798 -3.811 -2.653 1.00 0.35 H new ATOM 0 HB3 ALA A 87 -6.375 -4.863 -2.840 1.00 0.35 H new ATOM 1424 N PHE A 88 -6.063 -6.387 -5.318 1.00 0.41 N ATOM 1425 CA PHE A 88 -5.002 -7.010 -6.134 1.00 0.48 C ATOM 1426 C PHE A 88 -5.581 -7.321 -7.494 1.00 0.48 C ATOM 1427 O PHE A 88 -4.874 -7.448 -8.464 1.00 0.53 O ATOM 1428 CB PHE A 88 -4.578 -8.300 -5.430 1.00 0.52 C ATOM 1429 CG PHE A 88 -3.743 -9.178 -6.335 1.00 0.59 C ATOM 1430 CD1 PHE A 88 -4.354 -9.910 -7.360 1.00 0.61 C ATOM 1431 CD2 PHE A 88 -2.361 -9.278 -6.133 1.00 0.66 C ATOM 1432 CE1 PHE A 88 -3.586 -10.740 -8.183 1.00 0.69 C ATOM 1433 CE2 PHE A 88 -1.593 -10.106 -6.958 1.00 0.73 C ATOM 1434 CZ PHE A 88 -2.205 -10.838 -7.982 1.00 0.74 C ATOM 0 H PHE A 88 -6.429 -6.989 -4.581 1.00 0.41 H new ATOM 0 HA PHE A 88 -4.140 -6.354 -6.252 1.00 0.48 H new ATOM 0 HB2 PHE A 88 -4.009 -8.056 -4.533 1.00 0.52 H new ATOM 0 HB3 PHE A 88 -5.464 -8.847 -5.107 1.00 0.52 H new ATOM 0 HD1 PHE A 88 -5.420 -9.834 -7.515 1.00 0.61 H new ATOM 0 HD2 PHE A 88 -1.889 -8.716 -5.341 1.00 0.66 H new ATOM 0 HE1 PHE A 88 -4.059 -11.305 -8.973 1.00 0.69 H new ATOM 0 HE2 PHE A 88 -0.527 -10.181 -6.805 1.00 0.73 H new ATOM 0 HZ PHE A 88 -1.611 -11.479 -8.617 1.00 0.74 H new ATOM 1444 N GLU A 89 -6.870 -7.461 -7.573 1.00 0.44 N ATOM 1445 CA GLU A 89 -7.483 -7.771 -8.890 1.00 0.46 C ATOM 1446 C GLU A 89 -7.488 -6.482 -9.710 1.00 0.43 C ATOM 1447 O GLU A 89 -7.039 -6.451 -10.841 1.00 0.47 O ATOM 1448 CB GLU A 89 -8.910 -8.318 -8.677 1.00 0.46 C ATOM 1449 CG GLU A 89 -8.875 -9.849 -8.631 1.00 0.51 C ATOM 1450 CD GLU A 89 -8.772 -10.406 -10.053 1.00 0.58 C ATOM 1451 OE1 GLU A 89 -9.639 -10.098 -10.854 1.00 0.63 O ATOM 1452 OE2 GLU A 89 -7.827 -11.132 -10.315 1.00 0.60 O ATOM 0 H GLU A 89 -7.521 -7.376 -6.792 1.00 0.44 H new ATOM 0 HA GLU A 89 -6.919 -8.535 -9.424 1.00 0.46 H new ATOM 0 HB2 GLU A 89 -9.325 -7.926 -7.748 1.00 0.46 H new ATOM 0 HB3 GLU A 89 -9.562 -7.984 -9.484 1.00 0.46 H new ATOM 0 HG2 GLU A 89 -8.026 -10.185 -8.036 1.00 0.51 H new ATOM 0 HG3 GLU A 89 -9.774 -10.228 -8.146 1.00 0.51 H new ATOM 1459 N LEU A 90 -7.948 -5.407 -9.135 1.00 0.38 N ATOM 1460 CA LEU A 90 -7.935 -4.119 -9.873 1.00 0.37 C ATOM 1461 C LEU A 90 -6.483 -3.710 -10.100 1.00 0.41 C ATOM 1462 O LEU A 90 -6.184 -2.888 -10.944 1.00 0.42 O ATOM 1463 CB LEU A 90 -8.648 -3.035 -9.060 1.00 0.34 C ATOM 1464 CG LEU A 90 -10.088 -3.464 -8.753 1.00 0.33 C ATOM 1465 CD1 LEU A 90 -10.751 -2.400 -7.871 1.00 0.33 C ATOM 1466 CD2 LEU A 90 -10.882 -3.618 -10.063 1.00 0.36 C ATOM 0 H LEU A 90 -8.330 -5.366 -8.190 1.00 0.38 H new ATOM 0 HA LEU A 90 -8.452 -4.236 -10.825 1.00 0.37 H new ATOM 0 HB2 LEU A 90 -8.109 -2.854 -8.130 1.00 0.34 H new ATOM 0 HB3 LEU A 90 -8.651 -2.097 -9.615 1.00 0.34 H new ATOM 0 HG LEU A 90 -10.078 -4.421 -8.232 1.00 0.33 H new ATOM 0 HD11 LEU A 90 -11.775 -2.699 -7.649 1.00 0.33 H new ATOM 0 HD12 LEU A 90 -10.192 -2.299 -6.940 1.00 0.33 H new ATOM 0 HD13 LEU A 90 -10.757 -1.445 -8.396 1.00 0.33 H new ATOM 0 HD21 LEU A 90 -11.903 -3.923 -9.836 1.00 0.36 H new ATOM 0 HD22 LEU A 90 -10.897 -2.666 -10.593 1.00 0.36 H new ATOM 0 HD23 LEU A 90 -10.408 -4.374 -10.689 1.00 0.36 H new ATOM 1478 N MET A 91 -5.567 -4.290 -9.363 1.00 0.43 N ATOM 1479 CA MET A 91 -4.129 -3.931 -9.568 1.00 0.49 C ATOM 1480 C MET A 91 -3.620 -4.712 -10.765 1.00 0.54 C ATOM 1481 O MET A 91 -3.138 -4.156 -11.732 1.00 0.58 O ATOM 1482 CB MET A 91 -3.293 -4.306 -8.340 1.00 0.52 C ATOM 1483 CG MET A 91 -3.664 -3.422 -7.122 1.00 0.48 C ATOM 1484 SD MET A 91 -2.336 -2.223 -6.796 1.00 0.55 S ATOM 1485 CE MET A 91 -1.860 -2.820 -5.151 1.00 0.60 C ATOM 0 H MET A 91 -5.748 -4.986 -8.639 1.00 0.43 H new ATOM 0 HA MET A 91 -4.043 -2.856 -9.729 1.00 0.49 H new ATOM 0 HB2 MET A 91 -3.453 -5.356 -8.094 1.00 0.52 H new ATOM 0 HB3 MET A 91 -2.233 -4.190 -8.568 1.00 0.52 H new ATOM 0 HG2 MET A 91 -4.600 -2.897 -7.315 1.00 0.48 H new ATOM 0 HG3 MET A 91 -3.824 -4.047 -6.244 1.00 0.48 H new ATOM 0 HE1 MET A 91 -0.829 -2.532 -4.943 1.00 0.60 H new ATOM 0 HE2 MET A 91 -2.518 -2.381 -4.400 1.00 0.60 H new ATOM 0 HE3 MET A 91 -1.946 -3.906 -5.119 1.00 0.60 H new ATOM 1495 N GLN A 92 -3.745 -6.007 -10.710 1.00 0.56 N ATOM 1496 CA GLN A 92 -3.294 -6.853 -11.850 1.00 0.62 C ATOM 1497 C GLN A 92 -3.843 -6.248 -13.140 1.00 0.61 C ATOM 1498 O GLN A 92 -3.259 -6.369 -14.199 1.00 0.69 O ATOM 1499 CB GLN A 92 -3.831 -8.276 -11.674 1.00 0.64 C ATOM 1500 CG GLN A 92 -3.262 -9.190 -12.766 1.00 0.66 C ATOM 1501 CD GLN A 92 -4.013 -8.958 -14.080 1.00 0.68 C ATOM 1502 OE1 GLN A 92 -5.074 -8.365 -14.091 1.00 0.72 O ATOM 1503 NE2 GLN A 92 -3.505 -9.406 -15.195 1.00 0.67 N ATOM 0 H GLN A 92 -4.142 -6.519 -9.922 1.00 0.56 H new ATOM 0 HA GLN A 92 -2.205 -6.890 -11.888 1.00 0.62 H new ATOM 0 HB2 GLN A 92 -3.558 -8.658 -10.690 1.00 0.64 H new ATOM 0 HB3 GLN A 92 -4.920 -8.271 -11.723 1.00 0.64 H new ATOM 0 HG2 GLN A 92 -2.199 -8.990 -12.904 1.00 0.66 H new ATOM 0 HG3 GLN A 92 -3.353 -10.233 -12.464 1.00 0.66 H new ATOM 0 HE21 GLN A 92 -2.615 -9.904 -15.186 1.00 0.67 H new ATOM 0 HE22 GLN A 92 -3.998 -9.259 -16.076 1.00 0.67 H new ATOM 1512 N ASP A 93 -4.961 -5.574 -13.047 1.00 0.54 N ATOM 1513 CA ASP A 93 -5.555 -4.930 -14.251 1.00 0.54 C ATOM 1514 C ASP A 93 -5.002 -3.512 -14.349 1.00 0.55 C ATOM 1515 O ASP A 93 -4.471 -3.100 -15.362 1.00 0.62 O ATOM 1516 CB ASP A 93 -7.088 -4.891 -14.091 1.00 0.50 C ATOM 1517 CG ASP A 93 -7.774 -5.088 -15.448 1.00 0.61 C ATOM 1518 OD1 ASP A 93 -7.488 -6.081 -16.096 1.00 0.75 O ATOM 1519 OD2 ASP A 93 -8.575 -4.242 -15.813 1.00 0.80 O ATOM 0 H ASP A 93 -5.488 -5.443 -12.184 1.00 0.54 H new ATOM 0 HA ASP A 93 -5.307 -5.487 -15.155 1.00 0.54 H new ATOM 0 HB2 ASP A 93 -7.407 -5.670 -13.399 1.00 0.50 H new ATOM 0 HB3 ASP A 93 -7.390 -3.937 -13.659 1.00 0.50 H new ATOM 1524 N GLY A 94 -5.124 -2.772 -13.288 1.00 0.54 N ATOM 1525 CA GLY A 94 -4.607 -1.378 -13.285 1.00 0.61 C ATOM 1526 C GLY A 94 -3.111 -1.389 -13.606 1.00 0.73 C ATOM 1527 O GLY A 94 -2.485 -0.351 -13.691 1.00 0.82 O ATOM 0 H GLY A 94 -5.562 -3.073 -12.417 1.00 0.54 H new ATOM 0 HA2 GLY A 94 -5.143 -0.778 -14.020 1.00 0.61 H new ATOM 0 HA3 GLY A 94 -4.778 -0.917 -12.312 1.00 0.61 H new ATOM 1531 N GLY A 95 -2.533 -2.557 -13.791 1.00 0.80 N ATOM 1532 CA GLY A 95 -1.070 -2.643 -14.117 1.00 0.94 C ATOM 1533 C GLY A 95 -0.354 -3.536 -13.097 1.00 0.92 C ATOM 1534 O GLY A 95 -0.571 -4.730 -13.047 1.00 0.91 O ATOM 0 H GLY A 95 -3.013 -3.455 -13.730 1.00 0.80 H new ATOM 0 HA2 GLY A 95 -0.936 -3.045 -15.121 1.00 0.94 H new ATOM 0 HA3 GLY A 95 -0.629 -1.646 -14.112 1.00 0.94 H new ATOM 1538 N LEU A 96 0.505 -2.960 -12.292 1.00 0.92 N ATOM 1539 CA LEU A 96 1.259 -3.749 -11.268 1.00 0.91 C ATOM 1540 C LEU A 96 2.219 -4.736 -11.942 1.00 0.94 C ATOM 1541 O LEU A 96 3.245 -5.086 -11.396 1.00 0.95 O ATOM 1542 CB LEU A 96 0.272 -4.512 -10.377 1.00 0.89 C ATOM 1543 CG LEU A 96 0.951 -4.906 -9.046 1.00 0.87 C ATOM 1544 CD1 LEU A 96 0.834 -3.761 -8.030 1.00 0.93 C ATOM 1545 CD2 LEU A 96 0.275 -6.157 -8.469 1.00 0.86 C ATOM 0 H LEU A 96 0.719 -1.963 -12.301 1.00 0.92 H new ATOM 0 HA LEU A 96 1.844 -3.060 -10.659 1.00 0.91 H new ATOM 0 HB2 LEU A 96 -0.603 -3.893 -10.178 1.00 0.89 H new ATOM 0 HB3 LEU A 96 -0.080 -5.405 -10.893 1.00 0.89 H new ATOM 0 HG LEU A 96 2.004 -5.110 -9.240 1.00 0.87 H new ATOM 0 HD11 LEU A 96 1.316 -4.052 -7.097 1.00 0.93 H new ATOM 0 HD12 LEU A 96 1.321 -2.870 -8.428 1.00 0.93 H new ATOM 0 HD13 LEU A 96 -0.218 -3.547 -7.843 1.00 0.93 H new ATOM 0 HD21 LEU A 96 0.757 -6.431 -7.531 1.00 0.86 H new ATOM 0 HD22 LEU A 96 -0.780 -5.950 -8.288 1.00 0.86 H new ATOM 0 HD23 LEU A 96 0.367 -6.980 -9.178 1.00 0.86 H new ATOM 1557 N GLU A 97 1.894 -5.177 -13.120 1.00 0.96 N ATOM 1558 CA GLU A 97 2.778 -6.136 -13.845 1.00 1.00 C ATOM 1559 C GLU A 97 2.940 -7.428 -13.037 1.00 0.99 C ATOM 1560 O GLU A 97 2.342 -7.601 -11.994 1.00 0.99 O ATOM 1561 CB GLU A 97 4.151 -5.500 -14.077 1.00 1.05 C ATOM 1562 CG GLU A 97 3.968 -4.053 -14.541 1.00 1.13 C ATOM 1563 CD GLU A 97 5.309 -3.499 -15.025 1.00 1.25 C ATOM 1564 OE1 GLU A 97 6.264 -4.257 -15.059 1.00 1.37 O ATOM 1565 OE2 GLU A 97 5.358 -2.325 -15.355 1.00 1.27 O ATOM 0 H GLU A 97 1.045 -4.914 -13.621 1.00 0.96 H new ATOM 0 HA GLU A 97 2.321 -6.376 -14.805 1.00 1.00 H new ATOM 0 HB2 GLU A 97 4.737 -5.528 -13.158 1.00 1.05 H new ATOM 0 HB3 GLU A 97 4.705 -6.066 -14.826 1.00 1.05 H new ATOM 0 HG2 GLU A 97 3.233 -4.008 -15.344 1.00 1.13 H new ATOM 0 HG3 GLU A 97 3.584 -3.443 -13.723 1.00 1.13 H new ATOM 1572 N LYS A 98 3.744 -8.333 -13.535 1.00 1.02 N ATOM 1573 CA LYS A 98 3.977 -9.644 -12.851 1.00 1.01 C ATOM 1574 C LYS A 98 3.980 -9.491 -11.311 1.00 1.00 C ATOM 1575 O LYS A 98 4.977 -9.069 -10.759 1.00 1.04 O ATOM 1576 CB LYS A 98 5.350 -10.174 -13.273 1.00 1.08 C ATOM 1577 CG LYS A 98 5.387 -10.365 -14.791 1.00 1.09 C ATOM 1578 CD LYS A 98 6.816 -10.706 -15.222 1.00 1.13 C ATOM 1579 CE LYS A 98 6.853 -10.957 -16.731 1.00 1.16 C ATOM 1580 NZ LYS A 98 6.277 -12.299 -17.024 1.00 1.18 N ATOM 0 H LYS A 98 4.261 -8.216 -14.407 1.00 1.02 H new ATOM 0 HA LYS A 98 3.173 -10.324 -13.135 1.00 1.01 H new ATOM 0 HB2 LYS A 98 6.129 -9.477 -12.966 1.00 1.08 H new ATOM 0 HB3 LYS A 98 5.554 -11.121 -12.773 1.00 1.08 H new ATOM 0 HG2 LYS A 98 4.706 -11.163 -15.086 1.00 1.09 H new ATOM 0 HG3 LYS A 98 5.050 -9.457 -15.292 1.00 1.09 H new ATOM 0 HD2 LYS A 98 7.489 -9.889 -14.963 1.00 1.13 H new ATOM 0 HD3 LYS A 98 7.166 -11.589 -14.688 1.00 1.13 H new ATOM 0 HE2 LYS A 98 6.288 -10.185 -17.253 1.00 1.16 H new ATOM 0 HE3 LYS A 98 7.879 -10.902 -17.095 1.00 1.16 H new ATOM 0 HZ1 LYS A 98 6.454 -12.543 -18.019 1.00 1.18 H new ATOM 0 HZ2 LYS A 98 6.722 -13.010 -16.409 1.00 1.18 H new ATOM 0 HZ3 LYS A 98 5.252 -12.283 -16.848 1.00 1.18 H new ATOM 1594 N PRO A 99 2.895 -9.854 -10.638 1.00 0.93 N ATOM 1595 CA PRO A 99 2.847 -9.761 -9.165 1.00 0.91 C ATOM 1596 C PRO A 99 3.830 -10.783 -8.584 1.00 0.98 C ATOM 1597 O PRO A 99 4.302 -11.651 -9.291 1.00 1.02 O ATOM 1598 CB PRO A 99 1.389 -10.093 -8.784 1.00 0.84 C ATOM 1599 CG PRO A 99 0.635 -10.454 -10.098 1.00 0.82 C ATOM 1600 CD PRO A 99 1.652 -10.367 -11.259 1.00 0.88 C ATOM 0 HA PRO A 99 3.128 -8.781 -8.780 1.00 0.91 H new ATOM 0 HB2 PRO A 99 1.356 -10.926 -8.081 1.00 0.84 H new ATOM 0 HB3 PRO A 99 0.917 -9.242 -8.292 1.00 0.84 H new ATOM 0 HG2 PRO A 99 0.212 -11.457 -10.034 1.00 0.82 H new ATOM 0 HG3 PRO A 99 -0.195 -9.768 -10.264 1.00 0.82 H new ATOM 0 HD2 PRO A 99 1.813 -11.343 -11.718 1.00 0.88 H new ATOM 0 HD3 PRO A 99 1.298 -9.700 -12.045 1.00 0.88 H new ATOM 1608 N LYS A 100 4.172 -10.678 -7.318 1.00 0.98 N ATOM 1609 CA LYS A 100 5.158 -11.643 -6.731 1.00 1.05 C ATOM 1610 C LYS A 100 4.708 -12.154 -5.338 1.00 1.02 C ATOM 1611 O LYS A 100 4.631 -13.353 -5.161 1.00 1.04 O ATOM 1612 CB LYS A 100 6.540 -10.950 -6.693 1.00 1.11 C ATOM 1613 CG LYS A 100 7.511 -11.648 -7.665 1.00 1.18 C ATOM 1614 CD LYS A 100 8.888 -10.982 -7.603 1.00 1.25 C ATOM 1615 CE LYS A 100 8.755 -9.483 -7.889 1.00 1.22 C ATOM 1616 NZ LYS A 100 10.052 -8.958 -8.398 1.00 1.30 N ATOM 0 H LYS A 100 3.815 -9.973 -6.673 1.00 0.98 H new ATOM 0 HA LYS A 100 5.221 -12.536 -7.353 1.00 1.05 H new ATOM 0 HB2 LYS A 100 6.436 -9.899 -6.963 1.00 1.11 H new ATOM 0 HB3 LYS A 100 6.943 -10.980 -5.681 1.00 1.11 H new ATOM 0 HG2 LYS A 100 7.597 -12.704 -7.409 1.00 1.18 H new ATOM 0 HG3 LYS A 100 7.120 -11.597 -8.681 1.00 1.18 H new ATOM 0 HD2 LYS A 100 9.332 -11.136 -6.619 1.00 1.25 H new ATOM 0 HD3 LYS A 100 9.557 -11.442 -8.330 1.00 1.25 H new ATOM 0 HE2 LYS A 100 7.967 -9.310 -8.623 1.00 1.22 H new ATOM 0 HE3 LYS A 100 8.467 -8.953 -6.981 1.00 1.22 H new ATOM 0 HZ1 LYS A 100 10.110 -7.936 -8.212 1.00 1.30 H new ATOM 0 HZ2 LYS A 100 10.836 -9.443 -7.916 1.00 1.30 H new ATOM 0 HZ3 LYS A 100 10.117 -9.128 -9.422 1.00 1.30 H new ATOM 1630 N PRO A 101 4.409 -11.290 -4.380 1.00 0.97 N ATOM 1631 CA PRO A 101 3.970 -11.777 -3.060 1.00 0.95 C ATOM 1632 C PRO A 101 2.504 -12.216 -3.197 1.00 0.89 C ATOM 1633 O PRO A 101 2.057 -12.477 -4.296 1.00 0.89 O ATOM 1634 CB PRO A 101 4.183 -10.574 -2.125 1.00 0.92 C ATOM 1635 CG PRO A 101 4.349 -9.325 -3.016 1.00 0.92 C ATOM 1636 CD PRO A 101 4.467 -9.814 -4.487 1.00 0.95 C ATOM 0 HA PRO A 101 4.510 -12.639 -2.667 1.00 0.95 H new ATOM 0 HB2 PRO A 101 3.334 -10.456 -1.451 1.00 0.92 H new ATOM 0 HB3 PRO A 101 5.066 -10.722 -1.503 1.00 0.92 H new ATOM 0 HG2 PRO A 101 3.496 -8.656 -2.901 1.00 0.92 H new ATOM 0 HG3 PRO A 101 5.237 -8.762 -2.726 1.00 0.92 H new ATOM 0 HD2 PRO A 101 3.655 -9.426 -5.103 1.00 0.95 H new ATOM 0 HD3 PRO A 101 5.400 -9.483 -4.944 1.00 0.95 H new ATOM 1644 N ARG A 102 1.753 -12.345 -2.126 1.00 0.84 N ATOM 1645 CA ARG A 102 0.331 -12.820 -2.263 1.00 0.79 C ATOM 1646 C ARG A 102 -0.621 -11.981 -1.380 1.00 0.71 C ATOM 1647 O ARG A 102 -0.213 -11.513 -0.338 1.00 0.71 O ATOM 1648 CB ARG A 102 0.290 -14.281 -1.804 1.00 0.83 C ATOM 1649 CG ARG A 102 1.471 -15.025 -2.426 1.00 0.92 C ATOM 1650 CD ARG A 102 1.249 -16.536 -2.309 1.00 0.96 C ATOM 1651 NE ARG A 102 2.364 -17.258 -2.984 1.00 1.05 N ATOM 1652 CZ ARG A 102 2.541 -18.534 -2.770 1.00 1.11 C ATOM 1653 NH1 ARG A 102 1.741 -19.178 -1.964 1.00 1.09 N ATOM 1654 NH2 ARG A 102 3.517 -19.167 -3.361 1.00 1.18 N ATOM 0 H ARG A 102 2.056 -12.145 -1.173 1.00 0.84 H new ATOM 0 HA ARG A 102 0.006 -12.717 -3.298 1.00 0.79 H new ATOM 0 HB2 ARG A 102 0.339 -14.337 -0.717 1.00 0.83 H new ATOM 0 HB3 ARG A 102 -0.649 -14.745 -2.105 1.00 0.83 H new ATOM 0 HG2 ARG A 102 1.579 -14.744 -3.473 1.00 0.92 H new ATOM 0 HG3 ARG A 102 2.396 -14.744 -1.923 1.00 0.92 H new ATOM 0 HD2 ARG A 102 1.197 -16.826 -1.260 1.00 0.96 H new ATOM 0 HD3 ARG A 102 0.297 -16.810 -2.763 1.00 0.96 H new ATOM 0 HE ARG A 102 2.989 -16.755 -3.614 1.00 1.05 H new ATOM 0 HH11 ARG A 102 0.978 -18.684 -1.501 1.00 1.09 H new ATOM 0 HH12 ARG A 102 1.879 -20.175 -1.797 1.00 1.09 H new ATOM 0 HH21 ARG A 102 4.143 -18.665 -3.991 1.00 1.18 H new ATOM 0 HH22 ARG A 102 3.654 -20.164 -3.193 1.00 1.18 H new ATOM 1668 N PRO A 103 -1.882 -11.840 -1.797 1.00 0.66 N ATOM 1669 CA PRO A 103 -2.891 -11.090 -1.016 1.00 0.59 C ATOM 1670 C PRO A 103 -2.726 -11.414 0.467 1.00 0.59 C ATOM 1671 O PRO A 103 -3.092 -10.647 1.334 1.00 0.55 O ATOM 1672 CB PRO A 103 -4.238 -11.580 -1.574 1.00 0.57 C ATOM 1673 CG PRO A 103 -3.935 -12.189 -2.968 1.00 0.61 C ATOM 1674 CD PRO A 103 -2.409 -12.411 -3.051 1.00 0.67 C ATOM 0 HA PRO A 103 -2.801 -10.007 -1.100 1.00 0.59 H new ATOM 0 HB2 PRO A 103 -4.685 -12.323 -0.914 1.00 0.57 H new ATOM 0 HB3 PRO A 103 -4.948 -10.757 -1.655 1.00 0.57 H new ATOM 0 HG2 PRO A 103 -4.468 -13.131 -3.100 1.00 0.61 H new ATOM 0 HG3 PRO A 103 -4.270 -11.520 -3.761 1.00 0.61 H new ATOM 0 HD2 PRO A 103 -2.166 -13.470 -3.137 1.00 0.67 H new ATOM 0 HD3 PRO A 103 -1.983 -11.914 -3.923 1.00 0.67 H new ATOM 1682 N GLU A 104 -2.138 -12.538 0.753 1.00 0.64 N ATOM 1683 CA GLU A 104 -1.901 -12.915 2.164 1.00 0.65 C ATOM 1684 C GLU A 104 -0.675 -12.155 2.649 1.00 0.67 C ATOM 1685 O GLU A 104 -0.735 -11.394 3.589 1.00 0.65 O ATOM 1686 CB GLU A 104 -1.632 -14.419 2.252 1.00 0.71 C ATOM 1687 CG GLU A 104 -2.836 -15.190 1.707 1.00 0.71 C ATOM 1688 CD GLU A 104 -2.526 -16.688 1.714 1.00 0.78 C ATOM 1689 OE1 GLU A 104 -1.898 -17.138 2.657 1.00 0.81 O ATOM 1690 OE2 GLU A 104 -2.923 -17.359 0.776 1.00 0.82 O ATOM 0 H GLU A 104 -1.810 -13.214 0.063 1.00 0.64 H new ATOM 0 HA GLU A 104 -2.770 -12.673 2.775 1.00 0.65 H new ATOM 0 HB2 GLU A 104 -0.738 -14.672 1.683 1.00 0.71 H new ATOM 0 HB3 GLU A 104 -1.443 -14.705 3.287 1.00 0.71 H new ATOM 0 HG2 GLU A 104 -3.717 -14.987 2.315 1.00 0.71 H new ATOM 0 HG3 GLU A 104 -3.065 -14.860 0.694 1.00 0.71 H new ATOM 1697 N ASP A 105 0.427 -12.351 1.978 1.00 0.73 N ATOM 1698 CA ASP A 105 1.702 -11.667 2.337 1.00 0.78 C ATOM 1699 C ASP A 105 1.418 -10.210 2.702 1.00 0.73 C ATOM 1700 O ASP A 105 2.088 -9.610 3.505 1.00 0.77 O ATOM 1701 CB ASP A 105 2.620 -11.716 1.113 1.00 0.83 C ATOM 1702 CG ASP A 105 2.658 -13.140 0.548 1.00 0.88 C ATOM 1703 OD1 ASP A 105 1.902 -13.971 1.023 1.00 0.86 O ATOM 1704 OD2 ASP A 105 3.451 -13.374 -0.348 1.00 0.94 O ATOM 0 H ASP A 105 0.498 -12.974 1.174 1.00 0.73 H new ATOM 0 HA ASP A 105 2.171 -12.158 3.189 1.00 0.78 H new ATOM 0 HB2 ASP A 105 2.263 -11.022 0.352 1.00 0.83 H new ATOM 0 HB3 ASP A 105 3.625 -11.397 1.388 1.00 0.83 H new ATOM 1709 N ILE A 106 0.407 -9.652 2.132 1.00 0.67 N ATOM 1710 CA ILE A 106 0.044 -8.238 2.454 1.00 0.64 C ATOM 1711 C ILE A 106 -0.815 -8.272 3.729 1.00 0.59 C ATOM 1712 O ILE A 106 -0.402 -7.797 4.769 1.00 0.61 O ATOM 1713 CB ILE A 106 -0.725 -7.571 1.268 1.00 0.61 C ATOM 1714 CG1 ILE A 106 -0.695 -8.468 0.019 1.00 0.64 C ATOM 1715 CG2 ILE A 106 -0.084 -6.225 0.897 1.00 0.62 C ATOM 1716 CD1 ILE A 106 0.738 -8.593 -0.523 1.00 0.72 C ATOM 0 H ILE A 106 -0.198 -10.108 1.449 1.00 0.67 H new ATOM 0 HA ILE A 106 0.940 -7.638 2.615 1.00 0.64 H new ATOM 0 HB ILE A 106 -1.754 -7.423 1.595 1.00 0.61 H new ATOM 0 HG12 ILE A 106 -1.084 -9.456 0.265 1.00 0.64 H new ATOM 0 HG13 ILE A 106 -1.345 -8.052 -0.750 1.00 0.64 H new ATOM 0 HG21 ILE A 106 -0.633 -5.776 0.069 1.00 0.62 H new ATOM 0 HG22 ILE A 106 -0.116 -5.557 1.758 1.00 0.62 H new ATOM 0 HG23 ILE A 106 0.952 -6.385 0.600 1.00 0.62 H new ATOM 0 HD11 ILE A 106 0.738 -9.231 -1.406 1.00 0.72 H new ATOM 0 HD12 ILE A 106 1.114 -7.605 -0.789 1.00 0.72 H new ATOM 0 HD13 ILE A 106 1.379 -9.031 0.242 1.00 0.72 H new ATOM 1728 N VAL A 107 -1.993 -8.857 3.671 1.00 0.54 N ATOM 1729 CA VAL A 107 -2.845 -8.944 4.904 1.00 0.51 C ATOM 1730 C VAL A 107 -1.968 -9.415 6.072 1.00 0.53 C ATOM 1731 O VAL A 107 -2.179 -9.059 7.214 1.00 0.50 O ATOM 1732 CB VAL A 107 -3.943 -10.007 4.689 1.00 0.49 C ATOM 1733 CG1 VAL A 107 -4.613 -10.394 6.022 1.00 0.48 C ATOM 1734 CG2 VAL A 107 -5.000 -9.479 3.730 1.00 0.46 C ATOM 0 H VAL A 107 -2.397 -9.274 2.832 1.00 0.54 H new ATOM 0 HA VAL A 107 -3.289 -7.970 5.111 1.00 0.51 H new ATOM 0 HB VAL A 107 -3.471 -10.894 4.266 1.00 0.49 H new ATOM 0 HG11 VAL A 107 -5.382 -11.144 5.838 1.00 0.48 H new ATOM 0 HG12 VAL A 107 -3.864 -10.801 6.701 1.00 0.48 H new ATOM 0 HG13 VAL A 107 -5.068 -9.511 6.471 1.00 0.48 H new ATOM 0 HG21 VAL A 107 -5.770 -10.236 3.585 1.00 0.46 H new ATOM 0 HG22 VAL A 107 -5.451 -8.578 4.146 1.00 0.46 H new ATOM 0 HG23 VAL A 107 -4.537 -9.244 2.772 1.00 0.46 H new ATOM 1744 N ASN A 108 -1.009 -10.252 5.779 1.00 0.59 N ATOM 1745 CA ASN A 108 -0.125 -10.806 6.847 1.00 0.63 C ATOM 1746 C ASN A 108 0.576 -9.672 7.604 1.00 0.63 C ATOM 1747 O ASN A 108 1.451 -9.913 8.413 1.00 0.66 O ATOM 1748 CB ASN A 108 0.938 -11.728 6.194 1.00 0.69 C ATOM 1749 CG ASN A 108 1.196 -12.957 7.077 1.00 1.07 C ATOM 1750 OD1 ASN A 108 1.267 -12.847 8.285 1.00 1.33 O ATOM 1751 ND2 ASN A 108 1.340 -14.128 6.520 1.00 1.35 N ATOM 0 H ASN A 108 -0.798 -10.579 4.836 1.00 0.59 H new ATOM 0 HA ASN A 108 -0.730 -11.374 7.554 1.00 0.63 H new ATOM 0 HB2 ASN A 108 0.597 -12.046 5.209 1.00 0.69 H new ATOM 0 HB3 ASN A 108 1.867 -11.176 6.048 1.00 0.69 H new ATOM 0 HD21 ASN A 108 1.512 -14.950 7.099 1.00 1.35 H new ATOM 0 HD22 ASN A 108 1.281 -14.221 5.506 1.00 1.35 H new ATOM 1758 N CYS A 109 0.197 -8.446 7.372 1.00 0.61 N ATOM 1759 CA CYS A 109 0.839 -7.323 8.098 1.00 0.63 C ATOM 1760 C CYS A 109 2.364 -7.467 8.020 1.00 0.70 C ATOM 1761 O CYS A 109 3.093 -6.752 8.680 1.00 0.85 O ATOM 1762 CB CYS A 109 0.376 -7.378 9.552 1.00 0.62 C ATOM 1763 SG CYS A 109 -1.228 -6.557 9.705 1.00 0.66 S ATOM 0 H CYS A 109 -0.530 -8.176 6.710 1.00 0.61 H new ATOM 0 HA CYS A 109 0.561 -6.367 7.654 1.00 0.63 H new ATOM 0 HB2 CYS A 109 0.299 -8.414 9.881 1.00 0.62 H new ATOM 0 HB3 CYS A 109 1.108 -6.892 10.197 1.00 0.62 H new ATOM 0 HG CYS A 109 -1.624 -6.605 10.942 1.00 0.66 H new ATOM 1769 N ASP A 110 2.863 -8.380 7.220 1.00 0.72 N ATOM 1770 CA ASP A 110 4.331 -8.534 7.126 1.00 0.79 C ATOM 1771 C ASP A 110 4.892 -7.320 6.414 1.00 0.81 C ATOM 1772 O ASP A 110 4.185 -6.566 5.774 1.00 0.80 O ATOM 1773 CB ASP A 110 4.720 -9.812 6.366 1.00 0.84 C ATOM 1774 CG ASP A 110 4.173 -9.780 4.944 1.00 0.85 C ATOM 1775 OD1 ASP A 110 4.076 -8.700 4.385 1.00 0.88 O ATOM 1776 OD2 ASP A 110 3.865 -10.842 4.429 1.00 0.98 O ATOM 0 H ASP A 110 2.316 -9.014 6.638 1.00 0.72 H new ATOM 0 HA ASP A 110 4.743 -8.616 8.132 1.00 0.79 H new ATOM 0 HB2 ASP A 110 5.805 -9.910 6.341 1.00 0.84 H new ATOM 0 HB3 ASP A 110 4.332 -10.685 6.891 1.00 0.84 H new ATOM 1781 N LEU A 111 6.154 -7.125 6.540 1.00 0.89 N ATOM 1782 CA LEU A 111 6.819 -5.966 5.909 1.00 0.93 C ATOM 1783 C LEU A 111 7.445 -6.394 4.580 1.00 0.97 C ATOM 1784 O LEU A 111 7.079 -5.935 3.528 1.00 0.96 O ATOM 1785 CB LEU A 111 7.917 -5.483 6.872 1.00 1.02 C ATOM 1786 CG LEU A 111 7.319 -4.578 7.964 1.00 1.06 C ATOM 1787 CD1 LEU A 111 6.863 -3.229 7.374 1.00 1.09 C ATOM 1788 CD2 LEU A 111 6.126 -5.290 8.615 1.00 1.12 C ATOM 0 H LEU A 111 6.777 -7.735 7.069 1.00 0.89 H new ATOM 0 HA LEU A 111 6.103 -5.168 5.713 1.00 0.93 H new ATOM 0 HB2 LEU A 111 8.408 -6.341 7.331 1.00 1.02 H new ATOM 0 HB3 LEU A 111 8.681 -4.937 6.318 1.00 1.02 H new ATOM 0 HG LEU A 111 8.086 -4.380 8.712 1.00 1.06 H new ATOM 0 HD11 LEU A 111 6.444 -2.608 8.166 1.00 1.09 H new ATOM 0 HD12 LEU A 111 7.717 -2.720 6.927 1.00 1.09 H new ATOM 0 HD13 LEU A 111 6.105 -3.403 6.611 1.00 1.09 H new ATOM 0 HD21 LEU A 111 5.700 -4.652 9.389 1.00 1.12 H new ATOM 0 HD22 LEU A 111 5.369 -5.498 7.859 1.00 1.12 H new ATOM 0 HD23 LEU A 111 6.460 -6.227 9.060 1.00 1.12 H new ATOM 1800 N LYS A 112 8.403 -7.257 4.661 1.00 1.00 N ATOM 1801 CA LYS A 112 9.157 -7.739 3.470 1.00 1.04 C ATOM 1802 C LYS A 112 8.356 -7.722 2.163 1.00 1.02 C ATOM 1803 O LYS A 112 8.599 -6.917 1.281 1.00 1.04 O ATOM 1804 CB LYS A 112 9.567 -9.179 3.767 1.00 1.06 C ATOM 1805 CG LYS A 112 10.629 -9.663 2.745 1.00 1.12 C ATOM 1806 CD LYS A 112 11.946 -10.046 3.451 1.00 1.15 C ATOM 1807 CE LYS A 112 12.796 -10.937 2.531 1.00 1.20 C ATOM 1808 NZ LYS A 112 12.402 -12.361 2.725 1.00 1.17 N ATOM 0 H LYS A 112 8.713 -7.670 5.541 1.00 1.00 H new ATOM 0 HA LYS A 112 9.999 -7.065 3.313 1.00 1.04 H new ATOM 0 HB2 LYS A 112 9.969 -9.248 4.778 1.00 1.06 H new ATOM 0 HB3 LYS A 112 8.692 -9.828 3.727 1.00 1.06 H new ATOM 0 HG2 LYS A 112 10.244 -10.522 2.196 1.00 1.12 H new ATOM 0 HG3 LYS A 112 10.820 -8.877 2.014 1.00 1.12 H new ATOM 0 HD2 LYS A 112 12.502 -9.146 3.714 1.00 1.15 H new ATOM 0 HD3 LYS A 112 11.730 -10.571 4.381 1.00 1.15 H new ATOM 0 HE2 LYS A 112 12.653 -10.646 1.490 1.00 1.20 H new ATOM 0 HE3 LYS A 112 13.855 -10.807 2.756 1.00 1.20 H new ATOM 0 HZ1 LYS A 112 12.975 -12.967 2.104 1.00 1.17 H new ATOM 0 HZ2 LYS A 112 12.560 -12.633 3.716 1.00 1.17 H new ATOM 0 HZ3 LYS A 112 11.396 -12.478 2.490 1.00 1.17 H new ATOM 1822 N SER A 113 7.451 -8.626 2.008 1.00 0.98 N ATOM 1823 CA SER A 113 6.683 -8.703 0.732 1.00 0.96 C ATOM 1824 C SER A 113 5.874 -7.419 0.494 1.00 0.92 C ATOM 1825 O SER A 113 6.039 -6.735 -0.501 1.00 0.94 O ATOM 1826 CB SER A 113 5.738 -9.903 0.847 1.00 0.92 C ATOM 1827 OG SER A 113 5.599 -10.251 2.219 1.00 0.90 O ATOM 0 H SER A 113 7.200 -9.324 2.708 1.00 0.98 H new ATOM 0 HA SER A 113 7.366 -8.816 -0.110 1.00 0.96 H new ATOM 0 HB2 SER A 113 4.765 -9.659 0.420 1.00 0.92 H new ATOM 0 HB3 SER A 113 6.131 -10.748 0.282 1.00 0.92 H new ATOM 0 HG SER A 113 5.590 -11.227 2.310 1.00 0.90 H new ATOM 1833 N THR A 114 5.000 -7.112 1.402 1.00 0.88 N ATOM 1834 CA THR A 114 4.143 -5.897 1.288 1.00 0.85 C ATOM 1835 C THR A 114 4.971 -4.726 0.738 1.00 0.89 C ATOM 1836 O THR A 114 4.504 -3.943 -0.059 1.00 0.89 O ATOM 1837 CB THR A 114 3.564 -5.587 2.702 1.00 0.81 C ATOM 1838 OG1 THR A 114 2.149 -5.650 2.650 1.00 0.76 O ATOM 1839 CG2 THR A 114 3.977 -4.194 3.211 1.00 0.84 C ATOM 0 H THR A 114 4.836 -7.665 2.243 1.00 0.88 H new ATOM 0 HA THR A 114 3.319 -6.060 0.594 1.00 0.85 H new ATOM 0 HB THR A 114 3.967 -6.330 3.390 1.00 0.81 H new ATOM 0 HG1 THR A 114 1.780 -5.457 3.537 1.00 0.76 H new ATOM 0 HG21 THR A 114 3.549 -4.026 4.199 1.00 0.84 H new ATOM 0 HG22 THR A 114 5.064 -4.136 3.272 1.00 0.84 H new ATOM 0 HG23 THR A 114 3.611 -3.432 2.523 1.00 0.84 H new ATOM 1847 N LEU A 115 6.191 -4.609 1.164 1.00 0.95 N ATOM 1848 CA LEU A 115 7.049 -3.495 0.685 1.00 1.00 C ATOM 1849 C LEU A 115 7.411 -3.732 -0.778 1.00 1.02 C ATOM 1850 O LEU A 115 7.422 -2.825 -1.566 1.00 1.02 O ATOM 1851 CB LEU A 115 8.322 -3.431 1.551 1.00 1.06 C ATOM 1852 CG LEU A 115 8.091 -2.531 2.805 1.00 1.04 C ATOM 1853 CD1 LEU A 115 8.723 -3.171 4.047 1.00 1.09 C ATOM 1854 CD2 LEU A 115 8.705 -1.136 2.585 1.00 1.06 C ATOM 0 H LEU A 115 6.636 -5.242 1.829 1.00 0.95 H new ATOM 0 HA LEU A 115 6.516 -2.548 0.767 1.00 1.00 H new ATOM 0 HB2 LEU A 115 8.605 -4.436 1.865 1.00 1.06 H new ATOM 0 HB3 LEU A 115 9.150 -3.036 0.961 1.00 1.06 H new ATOM 0 HG LEU A 115 7.016 -2.432 2.958 1.00 1.04 H new ATOM 0 HD11 LEU A 115 8.553 -2.531 4.913 1.00 1.09 H new ATOM 0 HD12 LEU A 115 8.271 -4.147 4.223 1.00 1.09 H new ATOM 0 HD13 LEU A 115 9.795 -3.291 3.889 1.00 1.09 H new ATOM 0 HD21 LEU A 115 8.535 -0.520 3.468 1.00 1.06 H new ATOM 0 HD22 LEU A 115 9.777 -1.233 2.411 1.00 1.06 H new ATOM 0 HD23 LEU A 115 8.238 -0.665 1.720 1.00 1.06 H new ATOM 1866 N ARG A 116 7.714 -4.935 -1.151 1.00 1.03 N ATOM 1867 CA ARG A 116 8.072 -5.189 -2.573 1.00 1.05 C ATOM 1868 C ARG A 116 6.963 -4.667 -3.511 1.00 1.01 C ATOM 1869 O ARG A 116 7.225 -3.995 -4.494 1.00 1.04 O ATOM 1870 CB ARG A 116 8.233 -6.697 -2.743 1.00 1.04 C ATOM 1871 CG ARG A 116 9.153 -7.017 -3.926 1.00 1.10 C ATOM 1872 CD ARG A 116 9.168 -8.536 -4.160 1.00 1.10 C ATOM 1873 NE ARG A 116 10.409 -8.958 -4.895 1.00 1.16 N ATOM 1874 CZ ARG A 116 10.855 -8.314 -5.952 1.00 1.17 C ATOM 1875 NH1 ARG A 116 10.157 -7.372 -6.521 1.00 1.13 N ATOM 1876 NH2 ARG A 116 11.999 -8.662 -6.475 1.00 1.23 N ATOM 0 H ARG A 116 7.731 -5.752 -0.541 1.00 1.03 H new ATOM 0 HA ARG A 116 8.996 -4.670 -2.829 1.00 1.05 H new ATOM 0 HB2 ARG A 116 8.644 -7.128 -1.830 1.00 1.04 H new ATOM 0 HB3 ARG A 116 7.257 -7.156 -2.901 1.00 1.04 H new ATOM 0 HG2 ARG A 116 8.805 -6.503 -4.822 1.00 1.10 H new ATOM 0 HG3 ARG A 116 10.162 -6.658 -3.724 1.00 1.10 H new ATOM 0 HD2 ARG A 116 9.114 -9.055 -3.203 1.00 1.10 H new ATOM 0 HD3 ARG A 116 8.287 -8.828 -4.731 1.00 1.10 H new ATOM 0 HE ARG A 116 10.924 -9.773 -4.562 1.00 1.16 H new ATOM 0 HH11 ARG A 116 9.242 -7.119 -6.148 1.00 1.13 H new ATOM 0 HH12 ARG A 116 10.526 -6.888 -7.340 1.00 1.13 H new ATOM 0 HH21 ARG A 116 12.536 -9.425 -6.064 1.00 1.23 H new ATOM 0 HH22 ARG A 116 12.356 -8.171 -7.295 1.00 1.23 H new ATOM 1890 N VAL A 117 5.730 -4.988 -3.221 1.00 0.95 N ATOM 1891 CA VAL A 117 4.606 -4.546 -4.096 1.00 0.91 C ATOM 1892 C VAL A 117 4.320 -3.058 -3.894 1.00 0.92 C ATOM 1893 O VAL A 117 4.130 -2.329 -4.845 1.00 0.94 O ATOM 1894 CB VAL A 117 3.352 -5.403 -3.771 1.00 0.85 C ATOM 1895 CG1 VAL A 117 2.056 -4.616 -4.023 1.00 0.82 C ATOM 1896 CG2 VAL A 117 3.342 -6.652 -4.663 1.00 0.85 C ATOM 0 H VAL A 117 5.452 -5.541 -2.410 1.00 0.95 H new ATOM 0 HA VAL A 117 4.877 -4.687 -5.142 1.00 0.91 H new ATOM 0 HB VAL A 117 3.399 -5.679 -2.718 1.00 0.85 H new ATOM 0 HG11 VAL A 117 1.197 -5.244 -3.786 1.00 0.82 H new ATOM 0 HG12 VAL A 117 2.041 -3.728 -3.392 1.00 0.82 H new ATOM 0 HG13 VAL A 117 2.009 -4.318 -5.070 1.00 0.82 H new ATOM 0 HG21 VAL A 117 2.462 -7.254 -4.436 1.00 0.85 H new ATOM 0 HG22 VAL A 117 3.315 -6.351 -5.710 1.00 0.85 H new ATOM 0 HG23 VAL A 117 4.241 -7.239 -4.477 1.00 0.85 H new ATOM 1906 N LEU A 118 4.277 -2.595 -2.684 1.00 0.91 N ATOM 1907 CA LEU A 118 3.987 -1.157 -2.482 1.00 0.92 C ATOM 1908 C LEU A 118 5.047 -0.357 -3.228 1.00 0.98 C ATOM 1909 O LEU A 118 4.760 0.653 -3.828 1.00 1.00 O ATOM 1910 CB LEU A 118 3.996 -0.805 -0.983 1.00 0.92 C ATOM 1911 CG LEU A 118 2.592 -0.945 -0.353 1.00 0.86 C ATOM 1912 CD1 LEU A 118 1.742 0.298 -0.668 1.00 0.86 C ATOM 1913 CD2 LEU A 118 1.877 -2.212 -0.862 1.00 0.81 C ATOM 0 H LEU A 118 4.428 -3.141 -1.836 1.00 0.91 H new ATOM 0 HA LEU A 118 2.995 -0.917 -2.866 1.00 0.92 H new ATOM 0 HB2 LEU A 118 4.696 -1.457 -0.461 1.00 0.92 H new ATOM 0 HB3 LEU A 118 4.353 0.216 -0.851 1.00 0.92 H new ATOM 0 HG LEU A 118 2.715 -1.033 0.726 1.00 0.86 H new ATOM 0 HD11 LEU A 118 0.755 0.187 -0.219 1.00 0.86 H new ATOM 0 HD12 LEU A 118 2.229 1.184 -0.261 1.00 0.86 H new ATOM 0 HD13 LEU A 118 1.639 0.404 -1.748 1.00 0.86 H new ATOM 0 HD21 LEU A 118 0.892 -2.284 -0.401 1.00 0.81 H new ATOM 0 HD22 LEU A 118 1.768 -2.158 -1.945 1.00 0.81 H new ATOM 0 HD23 LEU A 118 2.465 -3.092 -0.600 1.00 0.81 H new ATOM 1925 N TYR A 119 6.265 -0.818 -3.228 1.00 1.03 N ATOM 1926 CA TYR A 119 7.323 -0.101 -3.974 1.00 1.09 C ATOM 1927 C TYR A 119 6.852 0.008 -5.407 1.00 1.08 C ATOM 1928 O TYR A 119 6.798 1.066 -5.994 1.00 1.11 O ATOM 1929 CB TYR A 119 8.602 -0.929 -3.936 1.00 1.13 C ATOM 1930 CG TYR A 119 9.733 -0.128 -4.513 1.00 1.20 C ATOM 1931 CD1 TYR A 119 10.367 0.842 -3.737 1.00 1.24 C ATOM 1932 CD2 TYR A 119 10.141 -0.359 -5.823 1.00 1.24 C ATOM 1933 CE1 TYR A 119 11.422 1.588 -4.277 1.00 1.31 C ATOM 1934 CE2 TYR A 119 11.194 0.383 -6.371 1.00 1.31 C ATOM 1935 CZ TYR A 119 11.836 1.358 -5.597 1.00 1.34 C ATOM 1936 OH TYR A 119 12.875 2.092 -6.134 1.00 1.41 O ATOM 0 H TYR A 119 6.570 -1.661 -2.742 1.00 1.03 H new ATOM 0 HA TYR A 119 7.515 0.882 -3.544 1.00 1.09 H new ATOM 0 HB2 TYR A 119 8.832 -1.216 -2.910 1.00 1.13 H new ATOM 0 HB3 TYR A 119 8.469 -1.851 -4.503 1.00 1.13 H new ATOM 0 HD1 TYR A 119 10.045 1.018 -2.721 1.00 1.24 H new ATOM 0 HD2 TYR A 119 9.645 -1.112 -6.418 1.00 1.24 H new ATOM 0 HE1 TYR A 119 11.916 2.339 -3.678 1.00 1.31 H new ATOM 0 HE2 TYR A 119 11.511 0.204 -7.388 1.00 1.31 H new ATOM 0 HH TYR A 119 13.035 1.806 -7.058 1.00 1.41 H new ATOM 1946 N ASN A 120 6.489 -1.108 -5.953 1.00 1.06 N ATOM 1947 CA ASN A 120 5.984 -1.149 -7.346 1.00 1.05 C ATOM 1948 C ASN A 120 4.980 0.008 -7.562 1.00 1.03 C ATOM 1949 O ASN A 120 4.952 0.644 -8.606 1.00 1.05 O ATOM 1950 CB ASN A 120 5.289 -2.519 -7.544 1.00 1.01 C ATOM 1951 CG ASN A 120 5.633 -3.104 -8.921 1.00 1.04 C ATOM 1952 OD1 ASN A 120 4.854 -3.004 -9.848 1.00 1.06 O ATOM 1953 ND2 ASN A 120 6.775 -3.712 -9.090 1.00 1.06 N ATOM 0 H ASN A 120 6.521 -2.013 -5.484 1.00 1.06 H new ATOM 0 HA ASN A 120 6.794 -1.032 -8.066 1.00 1.05 H new ATOM 0 HB2 ASN A 120 5.603 -3.209 -6.761 1.00 1.01 H new ATOM 0 HB3 ASN A 120 4.209 -2.402 -7.452 1.00 1.01 H new ATOM 0 HD21 ASN A 120 7.014 -4.104 -10.001 1.00 1.06 H new ATOM 0 HD22 ASN A 120 7.428 -3.796 -8.311 1.00 1.06 H new ATOM 1960 N LEU A 121 4.160 0.291 -6.581 1.00 0.99 N ATOM 1961 CA LEU A 121 3.172 1.392 -6.737 1.00 0.97 C ATOM 1962 C LEU A 121 3.882 2.736 -6.633 1.00 1.03 C ATOM 1963 O LEU A 121 3.896 3.484 -7.572 1.00 1.05 O ATOM 1964 CB LEU A 121 2.105 1.296 -5.642 1.00 0.92 C ATOM 1965 CG LEU A 121 0.972 0.365 -6.088 1.00 0.87 C ATOM 1966 CD1 LEU A 121 1.520 -1.051 -6.265 1.00 0.86 C ATOM 1967 CD2 LEU A 121 -0.130 0.357 -5.027 1.00 0.87 C ATOM 0 H LEU A 121 4.135 -0.193 -5.684 1.00 0.99 H new ATOM 0 HA LEU A 121 2.695 1.305 -7.713 1.00 0.97 H new ATOM 0 HB2 LEU A 121 2.552 0.922 -4.721 1.00 0.92 H new ATOM 0 HB3 LEU A 121 1.707 2.287 -5.424 1.00 0.92 H new ATOM 0 HG LEU A 121 0.561 0.718 -7.034 1.00 0.87 H new ATOM 0 HD11 LEU A 121 0.716 -1.715 -6.582 1.00 0.86 H new ATOM 0 HD12 LEU A 121 2.306 -1.045 -7.021 1.00 0.86 H new ATOM 0 HD13 LEU A 121 1.930 -1.404 -5.318 1.00 0.86 H new ATOM 0 HD21 LEU A 121 -0.936 -0.305 -5.344 1.00 0.87 H new ATOM 0 HD22 LEU A 121 0.279 0.003 -4.080 1.00 0.87 H new ATOM 0 HD23 LEU A 121 -0.519 1.367 -4.899 1.00 0.87 H new ATOM 1979 N PHE A 122 4.467 3.051 -5.501 1.00 1.05 N ATOM 1980 CA PHE A 122 5.167 4.362 -5.345 1.00 1.11 C ATOM 1981 C PHE A 122 5.914 4.688 -6.612 1.00 1.16 C ATOM 1982 O PHE A 122 6.120 5.819 -6.967 1.00 1.20 O ATOM 1983 CB PHE A 122 6.183 4.224 -4.193 1.00 1.14 C ATOM 1984 CG PHE A 122 6.292 5.510 -3.434 1.00 1.18 C ATOM 1985 CD1 PHE A 122 5.312 5.805 -2.511 1.00 1.16 C ATOM 1986 CD2 PHE A 122 7.366 6.382 -3.641 1.00 1.25 C ATOM 1987 CE1 PHE A 122 5.383 6.992 -1.767 1.00 1.20 C ATOM 1988 CE2 PHE A 122 7.444 7.571 -2.907 1.00 1.29 C ATOM 1989 CZ PHE A 122 6.451 7.876 -1.968 1.00 1.27 C ATOM 0 H PHE A 122 4.488 2.452 -4.676 1.00 1.05 H new ATOM 0 HA PHE A 122 4.445 5.151 -5.136 1.00 1.11 H new ATOM 0 HB2 PHE A 122 5.874 3.423 -3.521 1.00 1.14 H new ATOM 0 HB3 PHE A 122 7.159 3.946 -4.592 1.00 1.14 H new ATOM 0 HD1 PHE A 122 4.489 5.122 -2.360 1.00 1.16 H new ATOM 0 HD2 PHE A 122 8.131 6.139 -4.364 1.00 1.25 H new ATOM 0 HE1 PHE A 122 4.617 7.224 -1.042 1.00 1.20 H new ATOM 0 HE2 PHE A 122 8.268 8.251 -3.064 1.00 1.29 H new ATOM 0 HZ PHE A 122 6.508 8.792 -1.399 1.00 1.27 H new ATOM 1999 N THR A 123 6.296 3.685 -7.284 1.00 1.15 N ATOM 2000 CA THR A 123 7.037 3.884 -8.550 1.00 1.20 C ATOM 2001 C THR A 123 6.088 4.405 -9.626 1.00 1.18 C ATOM 2002 O THR A 123 6.358 5.386 -10.287 1.00 1.22 O ATOM 2003 CB THR A 123 7.645 2.553 -9.000 1.00 1.21 C ATOM 2004 OG1 THR A 123 8.415 2.005 -7.939 1.00 1.22 O ATOM 2005 CG2 THR A 123 8.541 2.783 -10.218 1.00 1.27 C ATOM 0 H THR A 123 6.134 2.712 -7.023 1.00 1.15 H new ATOM 0 HA THR A 123 7.833 4.611 -8.392 1.00 1.20 H new ATOM 0 HB THR A 123 6.847 1.860 -9.267 1.00 1.21 H new ATOM 0 HG1 THR A 123 7.848 1.424 -7.389 1.00 1.22 H new ATOM 0 HG21 THR A 123 8.973 1.834 -10.536 1.00 1.27 H new ATOM 0 HG22 THR A 123 7.949 3.203 -11.031 1.00 1.27 H new ATOM 0 HG23 THR A 123 9.341 3.476 -9.956 1.00 1.27 H new ATOM 2013 N LYS A 124 4.991 3.742 -9.820 1.00 1.12 N ATOM 2014 CA LYS A 124 4.040 4.173 -10.891 1.00 1.10 C ATOM 2015 C LYS A 124 3.160 5.359 -10.472 1.00 1.10 C ATOM 2016 O LYS A 124 2.553 5.992 -11.314 1.00 1.11 O ATOM 2017 CB LYS A 124 3.121 3.008 -11.233 1.00 1.04 C ATOM 2018 CG LYS A 124 3.940 1.778 -11.627 1.00 1.04 C ATOM 2019 CD LYS A 124 3.036 0.524 -11.586 1.00 0.99 C ATOM 2020 CE LYS A 124 3.362 -0.373 -12.777 1.00 0.98 C ATOM 2021 NZ LYS A 124 2.457 -1.551 -12.782 1.00 0.92 N ATOM 0 H LYS A 124 4.704 2.920 -9.288 1.00 1.12 H new ATOM 0 HA LYS A 124 4.643 4.486 -11.743 1.00 1.10 H new ATOM 0 HB2 LYS A 124 2.489 2.772 -10.377 1.00 1.04 H new ATOM 0 HB3 LYS A 124 2.458 3.288 -12.051 1.00 1.04 H new ATOM 0 HG2 LYS A 124 4.354 1.908 -12.627 1.00 1.04 H new ATOM 0 HG3 LYS A 124 4.782 1.655 -10.946 1.00 1.04 H new ATOM 0 HD2 LYS A 124 3.191 -0.019 -10.654 1.00 0.99 H new ATOM 0 HD3 LYS A 124 1.987 0.817 -11.614 1.00 0.99 H new ATOM 0 HE2 LYS A 124 3.251 0.186 -13.706 1.00 0.98 H new ATOM 0 HE3 LYS A 124 4.400 -0.701 -12.724 1.00 0.98 H new ATOM 0 HZ1 LYS A 124 2.235 -1.814 -13.763 1.00 0.92 H new ATOM 0 HZ2 LYS A 124 2.924 -2.349 -12.306 1.00 0.92 H new ATOM 0 HZ3 LYS A 124 1.577 -1.315 -12.280 1.00 0.92 H new ATOM 2035 N TYR A 125 3.045 5.653 -9.201 1.00 1.10 N ATOM 2036 CA TYR A 125 2.155 6.779 -8.766 1.00 1.11 C ATOM 2037 C TYR A 125 2.992 7.986 -8.343 1.00 1.17 C ATOM 2038 O TYR A 125 2.498 9.088 -8.221 1.00 1.20 O ATOM 2039 CB TYR A 125 1.293 6.292 -7.601 1.00 1.06 C ATOM 2040 CG TYR A 125 0.200 5.379 -8.134 1.00 1.00 C ATOM 2041 CD1 TYR A 125 0.513 4.087 -8.598 1.00 0.97 C ATOM 2042 CD2 TYR A 125 -1.127 5.828 -8.172 1.00 0.99 C ATOM 2043 CE1 TYR A 125 -0.500 3.258 -9.094 1.00 0.92 C ATOM 2044 CE2 TYR A 125 -2.137 4.993 -8.668 1.00 0.94 C ATOM 2045 CZ TYR A 125 -1.823 3.710 -9.129 1.00 0.90 C ATOM 2046 OH TYR A 125 -2.819 2.891 -9.620 1.00 0.86 O ATOM 0 H TYR A 125 3.527 5.165 -8.446 1.00 1.10 H new ATOM 0 HA TYR A 125 1.517 7.088 -9.594 1.00 1.11 H new ATOM 0 HB2 TYR A 125 1.908 5.758 -6.877 1.00 1.06 H new ATOM 0 HB3 TYR A 125 0.852 7.141 -7.080 1.00 1.06 H new ATOM 0 HD1 TYR A 125 1.534 3.736 -8.571 1.00 0.97 H new ATOM 0 HD2 TYR A 125 -1.371 6.819 -7.819 1.00 0.99 H new ATOM 0 HE1 TYR A 125 -0.259 2.267 -9.450 1.00 0.92 H new ATOM 0 HE2 TYR A 125 -3.159 5.340 -8.694 1.00 0.94 H new ATOM 0 HH TYR A 125 -3.679 3.358 -9.572 1.00 0.86 H new ATOM 2056 N ARG A 126 4.251 7.784 -8.121 1.00 1.20 N ATOM 2057 CA ARG A 126 5.140 8.895 -7.708 1.00 1.27 C ATOM 2058 C ARG A 126 4.940 10.109 -8.630 1.00 1.31 C ATOM 2059 O ARG A 126 5.078 11.243 -8.217 1.00 1.35 O ATOM 2060 CB ARG A 126 6.592 8.359 -7.764 1.00 1.31 C ATOM 2061 CG ARG A 126 7.571 9.411 -8.290 1.00 1.38 C ATOM 2062 CD ARG A 126 9.004 8.855 -8.271 1.00 1.42 C ATOM 2063 NE ARG A 126 9.968 9.975 -8.083 1.00 1.49 N ATOM 2064 CZ ARG A 126 11.204 9.722 -7.749 1.00 1.52 C ATOM 2065 NH1 ARG A 126 11.593 8.488 -7.580 1.00 1.50 N ATOM 2066 NH2 ARG A 126 12.050 10.701 -7.583 1.00 1.59 N ATOM 0 H ARG A 126 4.712 6.879 -8.210 1.00 1.20 H new ATOM 0 HA ARG A 126 4.911 9.233 -6.698 1.00 1.27 H new ATOM 0 HB2 ARG A 126 6.900 8.043 -6.768 1.00 1.31 H new ATOM 0 HB3 ARG A 126 6.629 7.477 -8.404 1.00 1.31 H new ATOM 0 HG2 ARG A 126 7.297 9.698 -9.305 1.00 1.38 H new ATOM 0 HG3 ARG A 126 7.514 10.311 -7.678 1.00 1.38 H new ATOM 0 HD2 ARG A 126 9.113 8.128 -7.466 1.00 1.42 H new ATOM 0 HD3 ARG A 126 9.215 8.332 -9.204 1.00 1.42 H new ATOM 0 HE ARG A 126 9.662 10.939 -8.215 1.00 1.49 H new ATOM 0 HH11 ARG A 126 10.931 7.722 -7.709 1.00 1.50 H new ATOM 0 HH12 ARG A 126 12.559 8.289 -7.319 1.00 1.50 H new ATOM 0 HH21 ARG A 126 11.746 11.666 -7.714 1.00 1.59 H new ATOM 0 HH22 ARG A 126 13.016 10.502 -7.322 1.00 1.59 H new ATOM 2080 N ASN A 127 4.653 9.876 -9.875 1.00 1.30 N ATOM 2081 CA ASN A 127 4.482 10.997 -10.841 1.00 1.33 C ATOM 2082 C ASN A 127 3.002 11.340 -10.969 1.00 1.29 C ATOM 2083 O ASN A 127 2.629 12.433 -11.345 1.00 1.31 O ATOM 2084 CB ASN A 127 5.041 10.531 -12.197 1.00 1.35 C ATOM 2085 CG ASN A 127 6.471 11.051 -12.398 1.00 1.43 C ATOM 2086 OD1 ASN A 127 6.885 11.310 -13.511 1.00 1.46 O ATOM 2087 ND2 ASN A 127 7.245 11.213 -11.360 1.00 1.46 N ATOM 0 H ASN A 127 4.527 8.945 -10.273 1.00 1.30 H new ATOM 0 HA ASN A 127 5.011 11.888 -10.501 1.00 1.33 H new ATOM 0 HB2 ASN A 127 5.034 9.442 -12.245 1.00 1.35 H new ATOM 0 HB3 ASN A 127 4.401 10.890 -13.003 1.00 1.35 H new ATOM 0 HD21 ASN A 127 8.197 11.557 -11.483 1.00 1.46 H new ATOM 0 HD22 ASN A 127 6.898 10.996 -10.426 1.00 1.46 H new ATOM 2094 N VAL A 128 2.172 10.399 -10.666 1.00 1.23 N ATOM 2095 CA VAL A 128 0.697 10.610 -10.764 1.00 1.18 C ATOM 2096 C VAL A 128 0.129 10.807 -9.360 1.00 1.15 C ATOM 2097 O VAL A 128 0.353 10.027 -8.457 1.00 1.11 O ATOM 2098 CB VAL A 128 0.080 9.378 -11.448 1.00 1.14 C ATOM 2099 CG1 VAL A 128 -1.406 9.238 -11.092 1.00 1.09 C ATOM 2100 CG2 VAL A 128 0.220 9.515 -12.969 1.00 1.17 C ATOM 0 H VAL A 128 2.449 9.471 -10.347 1.00 1.23 H new ATOM 0 HA VAL A 128 0.463 11.497 -11.353 1.00 1.18 H new ATOM 0 HB VAL A 128 0.608 8.491 -11.098 1.00 1.14 H new ATOM 0 HG11 VAL A 128 -1.818 8.359 -11.588 1.00 1.09 H new ATOM 0 HG12 VAL A 128 -1.513 9.128 -10.013 1.00 1.09 H new ATOM 0 HG13 VAL A 128 -1.944 10.127 -11.422 1.00 1.09 H new ATOM 0 HG21 VAL A 128 -0.217 8.642 -13.455 1.00 1.17 H new ATOM 0 HG22 VAL A 128 -0.299 10.414 -13.303 1.00 1.17 H new ATOM 0 HG23 VAL A 128 1.275 9.586 -13.232 1.00 1.17 H new ATOM 2110 N GLU A 129 -0.594 11.868 -9.187 1.00 1.19 N ATOM 2111 CA GLU A 129 -1.185 12.189 -7.878 1.00 1.17 C ATOM 2112 C GLU A 129 -2.109 11.062 -7.415 1.00 1.11 C ATOM 2113 O GLU A 129 -3.201 10.961 -7.950 1.00 1.08 O ATOM 2114 CB GLU A 129 -1.961 13.479 -8.044 1.00 1.21 C ATOM 2115 CG GLU A 129 -0.986 14.573 -8.480 1.00 1.28 C ATOM 2116 CD GLU A 129 -0.160 15.036 -7.278 1.00 1.30 C ATOM 2117 OE1 GLU A 129 -0.748 15.269 -6.234 1.00 1.30 O ATOM 2118 OE2 GLU A 129 1.047 15.150 -7.421 1.00 1.32 O ATOM 2119 OXT GLU A 129 -1.709 10.318 -6.534 1.00 1.08 O ATOM 0 H GLU A 129 -0.803 12.543 -9.923 1.00 1.19 H new ATOM 0 HA GLU A 129 -0.408 12.301 -7.122 1.00 1.17 H new ATOM 0 HB2 GLU A 129 -2.749 13.355 -8.786 1.00 1.21 H new ATOM 0 HB3 GLU A 129 -2.446 13.754 -7.107 1.00 1.21 H new ATOM 0 HG2 GLU A 129 -0.328 14.196 -9.263 1.00 1.28 H new ATOM 0 HG3 GLU A 129 -1.534 15.415 -8.903 1.00 1.28 H new TER 2126 GLU A 129 ATOM 2127 N ASP B 1 19.600 0.214 -3.668 1.00 8.77 N ATOM 2128 CA ASP B 1 20.065 1.629 -3.609 1.00 7.64 C ATOM 2129 C ASP B 1 19.480 2.305 -2.368 1.00 6.39 C ATOM 2130 O ASP B 1 18.729 3.255 -2.463 1.00 5.37 O ATOM 2131 CB ASP B 1 19.599 2.371 -4.864 1.00 8.05 C ATOM 2132 CG ASP B 1 20.181 1.692 -6.105 1.00 9.22 C ATOM 2133 OD1 ASP B 1 19.613 0.701 -6.535 1.00 10.03 O ATOM 2134 OD2 ASP B 1 21.185 2.172 -6.603 1.00 9.45 O ATOM 0 H1 ASP B 1 20.368 -0.417 -3.361 1.00 8.77 H new ATOM 0 H2 ASP B 1 18.780 0.092 -3.041 1.00 8.77 H new ATOM 0 H3 ASP B 1 19.328 -0.022 -4.644 1.00 8.77 H new ATOM 0 HA ASP B 1 21.153 1.654 -3.557 1.00 7.64 H new ATOM 0 HB2 ASP B 1 18.510 2.373 -4.915 1.00 8.05 H new ATOM 0 HB3 ASP B 1 19.918 3.412 -4.823 1.00 8.05 H new ATOM 2141 N LEU B 2 19.819 1.822 -1.203 1.00 6.54 N ATOM 2142 CA LEU B 2 19.282 2.435 0.047 1.00 5.60 C ATOM 2143 C LEU B 2 19.424 3.961 -0.030 1.00 4.68 C ATOM 2144 O LEU B 2 18.573 4.702 0.424 1.00 3.60 O ATOM 2145 CB LEU B 2 20.053 1.888 1.271 1.00 6.47 C ATOM 2146 CG LEU B 2 20.600 0.472 0.974 1.00 7.32 C ATOM 2147 CD1 LEU B 2 21.992 0.564 0.326 1.00 8.33 C ATOM 2148 CD2 LEU B 2 20.707 -0.327 2.282 1.00 6.54 C ATOM 0 H LEU B 2 20.445 1.029 -1.062 1.00 6.54 H new ATOM 0 HA LEU B 2 18.228 2.180 0.154 1.00 5.60 H new ATOM 0 HB2 LEU B 2 20.876 2.558 1.520 1.00 6.47 H new ATOM 0 HB3 LEU B 2 19.395 1.856 2.139 1.00 6.47 H new ATOM 0 HG LEU B 2 19.916 -0.029 0.289 1.00 7.32 H new ATOM 0 HD11 LEU B 2 22.365 -0.440 0.122 1.00 8.33 H new ATOM 0 HD12 LEU B 2 21.922 1.122 -0.608 1.00 8.33 H new ATOM 0 HD13 LEU B 2 22.676 1.075 1.004 1.00 8.33 H new ATOM 0 HD21 LEU B 2 21.093 -1.324 2.069 1.00 6.54 H new ATOM 0 HD22 LEU B 2 21.383 0.185 2.967 1.00 6.54 H new ATOM 0 HD23 LEU B 2 19.721 -0.410 2.740 1.00 6.54 H new ATOM 2160 N ASP B 3 20.496 4.429 -0.604 1.00 5.20 N ATOM 2161 CA ASP B 3 20.704 5.900 -0.716 1.00 4.64 C ATOM 2162 C ASP B 3 19.619 6.508 -1.606 1.00 3.51 C ATOM 2163 O ASP B 3 18.972 7.465 -1.239 1.00 2.74 O ATOM 2164 CB ASP B 3 22.079 6.176 -1.329 1.00 5.61 C ATOM 2165 CG ASP B 3 22.395 7.669 -1.223 1.00 6.82 C ATOM 2166 OD1 ASP B 3 21.595 8.459 -1.696 1.00 7.61 O ATOM 2167 OD2 ASP B 3 23.432 7.997 -0.671 1.00 6.92 O ATOM 0 H ASP B 3 21.240 3.855 -1.002 1.00 5.20 H new ATOM 0 HA ASP B 3 20.650 6.348 0.276 1.00 4.64 H new ATOM 0 HB2 ASP B 3 22.843 5.594 -0.812 1.00 5.61 H new ATOM 0 HB3 ASP B 3 22.093 5.864 -2.373 1.00 5.61 H new ATOM 2172 N ALA B 4 19.417 5.966 -2.775 1.00 3.85 N ATOM 2173 CA ALA B 4 18.376 6.522 -3.688 1.00 3.42 C ATOM 2174 C ALA B 4 17.050 6.681 -2.937 1.00 2.89 C ATOM 2175 O ALA B 4 16.328 7.637 -3.134 1.00 2.66 O ATOM 2176 CB ALA B 4 18.173 5.574 -4.870 1.00 4.60 C ATOM 0 H ALA B 4 19.928 5.161 -3.139 1.00 3.85 H new ATOM 0 HA ALA B 4 18.705 7.496 -4.048 1.00 3.42 H new ATOM 0 HB1 ALA B 4 17.412 5.981 -5.536 1.00 4.60 H new ATOM 0 HB2 ALA B 4 19.111 5.465 -5.414 1.00 4.60 H new ATOM 0 HB3 ALA B 4 17.850 4.599 -4.504 1.00 4.60 H new ATOM 2182 N LEU B 5 16.720 5.748 -2.087 1.00 3.21 N ATOM 2183 CA LEU B 5 15.434 5.845 -1.336 1.00 2.91 C ATOM 2184 C LEU B 5 15.461 7.083 -0.428 1.00 1.92 C ATOM 2185 O LEU B 5 14.692 8.009 -0.602 1.00 2.42 O ATOM 2186 CB LEU B 5 15.243 4.567 -0.485 1.00 3.33 C ATOM 2187 CG LEU B 5 14.367 3.543 -1.236 1.00 4.74 C ATOM 2188 CD1 LEU B 5 14.628 2.138 -0.686 1.00 5.26 C ATOM 2189 CD2 LEU B 5 12.882 3.882 -1.049 1.00 5.44 C ATOM 0 H LEU B 5 17.283 4.923 -1.879 1.00 3.21 H new ATOM 0 HA LEU B 5 14.604 5.938 -2.037 1.00 2.91 H new ATOM 0 HB2 LEU B 5 16.214 4.126 -0.257 1.00 3.33 H new ATOM 0 HB3 LEU B 5 14.778 4.823 0.467 1.00 3.33 H new ATOM 0 HG LEU B 5 14.618 3.579 -2.296 1.00 4.74 H new ATOM 0 HD11 LEU B 5 14.007 1.418 -1.219 1.00 5.26 H new ATOM 0 HD12 LEU B 5 15.679 1.883 -0.823 1.00 5.26 H new ATOM 0 HD13 LEU B 5 14.384 2.112 0.376 1.00 5.26 H new ATOM 0 HD21 LEU B 5 12.272 3.153 -1.583 1.00 5.44 H new ATOM 0 HD22 LEU B 5 12.633 3.855 0.012 1.00 5.44 H new ATOM 0 HD23 LEU B 5 12.684 4.879 -1.443 1.00 5.44 H new ATOM 2201 N LEU B 6 16.332 7.100 0.545 1.00 1.59 N ATOM 2202 CA LEU B 6 16.396 8.272 1.468 1.00 2.01 C ATOM 2203 C LEU B 6 16.384 9.570 0.654 1.00 2.52 C ATOM 2204 O LEU B 6 15.781 10.550 1.042 1.00 3.51 O ATOM 2205 CB LEU B 6 17.681 8.191 2.303 1.00 2.97 C ATOM 2206 CG LEU B 6 17.675 9.270 3.407 1.00 3.38 C ATOM 2207 CD1 LEU B 6 16.887 8.779 4.629 1.00 4.76 C ATOM 2208 CD2 LEU B 6 19.116 9.571 3.837 1.00 3.25 C ATOM 0 H LEU B 6 17.001 6.355 0.741 1.00 1.59 H new ATOM 0 HA LEU B 6 15.532 8.262 2.133 1.00 2.01 H new ATOM 0 HB2 LEU B 6 17.768 7.202 2.753 1.00 2.97 H new ATOM 0 HB3 LEU B 6 18.550 8.326 1.659 1.00 2.97 H new ATOM 0 HG LEU B 6 17.204 10.170 3.011 1.00 3.38 H new ATOM 0 HD11 LEU B 6 16.892 9.551 5.399 1.00 4.76 H new ATOM 0 HD12 LEU B 6 15.859 8.564 4.337 1.00 4.76 H new ATOM 0 HD13 LEU B 6 17.350 7.873 5.020 1.00 4.76 H new ATOM 0 HD21 LEU B 6 19.111 10.333 4.616 1.00 3.25 H new ATOM 0 HD22 LEU B 6 19.579 8.662 4.221 1.00 3.25 H new ATOM 0 HD23 LEU B 6 19.684 9.933 2.980 1.00 3.25 H new ATOM 2220 N ALA B 7 17.038 9.582 -0.473 1.00 2.20 N ATOM 2221 CA ALA B 7 17.055 10.814 -1.309 1.00 2.86 C ATOM 2222 C ALA B 7 15.634 11.121 -1.782 1.00 3.63 C ATOM 2223 O ALA B 7 15.201 12.256 -1.784 1.00 4.63 O ATOM 2224 CB ALA B 7 17.962 10.598 -2.522 1.00 2.54 C ATOM 0 H ALA B 7 17.561 8.792 -0.851 1.00 2.20 H new ATOM 0 HA ALA B 7 17.434 11.650 -0.720 1.00 2.86 H new ATOM 0 HB1 ALA B 7 17.973 11.501 -3.133 1.00 2.54 H new ATOM 0 HB2 ALA B 7 18.974 10.375 -2.184 1.00 2.54 H new ATOM 0 HB3 ALA B 7 17.585 9.764 -3.114 1.00 2.54 H new ATOM 2230 N ASP B 8 14.903 10.115 -2.181 1.00 3.56 N ATOM 2231 CA ASP B 8 13.508 10.350 -2.650 1.00 4.78 C ATOM 2232 C ASP B 8 12.730 11.094 -1.564 1.00 5.44 C ATOM 2233 O ASP B 8 12.106 12.106 -1.817 1.00 6.57 O ATOM 2234 CB ASP B 8 12.831 9.007 -2.936 1.00 5.06 C ATOM 2235 CG ASP B 8 11.432 9.252 -3.503 1.00 5.28 C ATOM 2236 OD1 ASP B 8 10.530 9.494 -2.717 1.00 5.19 O ATOM 2237 OD2 ASP B 8 11.285 9.194 -4.712 1.00 5.79 O ATOM 0 H ASP B 8 15.211 9.143 -2.202 1.00 3.56 H new ATOM 0 HA ASP B 8 13.524 10.947 -3.562 1.00 4.78 H new ATOM 0 HB2 ASP B 8 13.426 8.431 -3.644 1.00 5.06 H new ATOM 0 HB3 ASP B 8 12.766 8.418 -2.021 1.00 5.06 H new ATOM 2242 N LEU B 9 12.764 10.606 -0.353 1.00 4.79 N ATOM 2243 CA LEU B 9 12.028 11.296 0.745 1.00 5.50 C ATOM 2244 C LEU B 9 12.438 12.770 0.773 1.00 6.37 C ATOM 2245 O LEU B 9 11.608 13.657 0.753 1.00 7.54 O ATOM 2246 CB LEU B 9 12.376 10.643 2.089 1.00 4.72 C ATOM 2247 CG LEU B 9 11.574 9.353 2.266 1.00 3.99 C ATOM 2248 CD1 LEU B 9 11.925 8.372 1.144 1.00 3.18 C ATOM 2249 CD2 LEU B 9 11.917 8.728 3.622 1.00 4.98 C ATOM 0 H LEU B 9 13.267 9.763 -0.077 1.00 4.79 H new ATOM 0 HA LEU B 9 10.955 11.215 0.573 1.00 5.50 H new ATOM 0 HB2 LEU B 9 13.443 10.426 2.132 1.00 4.72 H new ATOM 0 HB3 LEU B 9 12.157 11.332 2.905 1.00 4.72 H new ATOM 0 HG LEU B 9 10.508 9.577 2.226 1.00 3.99 H new ATOM 0 HD11 LEU B 9 11.353 7.453 1.272 1.00 3.18 H new ATOM 0 HD12 LEU B 9 11.682 8.820 0.180 1.00 3.18 H new ATOM 0 HD13 LEU B 9 12.990 8.144 1.180 1.00 3.18 H new ATOM 0 HD21 LEU B 9 11.348 7.808 3.753 1.00 4.98 H new ATOM 0 HD22 LEU B 9 12.983 8.504 3.660 1.00 4.98 H new ATOM 0 HD23 LEU B 9 11.665 9.427 4.419 1.00 4.98 H new ATOM 2261 N GLU B 10 13.714 13.035 0.820 1.00 5.97 N ATOM 2262 CA GLU B 10 14.206 14.398 0.852 1.00 6.96 C ATOM 2263 C GLU B 10 13.890 15.089 -0.481 1.00 7.65 C ATOM 2264 O GLU B 10 14.476 14.704 -1.479 1.00 8.69 O ATOM 2265 CB GLU B 10 15.709 14.255 1.050 1.00 6.57 C ATOM 2266 CG GLU B 10 16.048 14.085 2.537 1.00 6.56 C ATOM 2267 CD GLU B 10 17.549 14.294 2.746 1.00 6.60 C ATOM 2268 OE1 GLU B 10 18.273 14.269 1.766 1.00 7.16 O ATOM 2269 OE2 GLU B 10 17.948 14.476 3.885 1.00 6.36 O ATOM 2270 OXT GLU B 10 13.068 15.991 -0.477 1.00 7.20 O ATOM 0 H GLU B 10 14.444 12.323 0.837 1.00 5.97 H new ATOM 0 HA GLU B 10 13.750 15.001 1.637 1.00 6.96 H new ATOM 0 HB2 GLU B 10 16.074 13.395 0.488 1.00 6.57 H new ATOM 0 HB3 GLU B 10 16.218 15.134 0.654 1.00 6.57 H new ATOM 0 HG2 GLU B 10 15.484 14.802 3.134 1.00 6.56 H new ATOM 0 HG3 GLU B 10 15.758 13.090 2.875 1.00 6.56 H new TER 2277 GLU B 10