USER MOD reduce.3.24.130724 H: found=0, std=0, add=823, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 821 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 45 LYS NZ :NH3+ -175:sc= -0.211 (180deg=0) USER MOD Set 1.2: A 80 GLN : amide:sc= -2.12 K(o=-2,f=-0.7) USER MOD Set 1.3: A 84 THR OG1 : rot 86:sc= 0.306 USER MOD Set 2.1: A 44 SER OG : rot 21:sc= 1.67 USER MOD Set 2.2: A 51 SER OG : rot 80:sc= 0.778 USER MOD Set 2.3: A 52 THR OG1 : rot -11:sc= 0.954 USER MOD Single : A 38 ASN : amide:sc= -0.385 X(o=-0.39,f=-0.62) USER MOD Single : A 41 MET CE :methyl -125:sc= -10.4! (180deg=-15.5!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 CYS SG : rot -2:sc= -0.475 USER MOD Single : A 50 HIS : no HD1:sc= 0.0732 X(o=0.073,f=-0.36) USER MOD Single : A 55 LYS NZ :NH3+ -118:sc= -0.112 (180deg=-0.849) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 84:sc= 0.0142 USER MOD Single : A 65 TYR OH : rot -38:sc= 0.132 USER MOD Single : A 66 ASN : amide:sc= -1.05 K(o=-1.1,f=-2.5) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot -167:sc= 0.333 USER MOD Single : A 88 ASN : amide:sc= -0.0149 X(o=-0.015,f=-0.44) USER MOD Single : A 89 GLN : amide:sc= -2.75 K(o=-2.8,f=-1.5) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 160:sc= 0.0696 USER MOD Single : A 94 ASN : amide:sc= -6.7! C(o=-6.7!,f=-7.6!) USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=0.23) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 HIS : no HD1:sc= -0.243 X(o=-0.24,f=-0.17) USER MOD Single : A 105 CYS SG : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 144:sc= -0.973 USER MOD Single : A 110 GLN : amide:sc= -0.264 K(o=-0.26,f=-0.91) USER MOD Single : A 112 HIS : no HD1:sc= -1.84 K(o=-1.8,f=-3) USER MOD Single : A 113 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 ASN : amide:sc= -1.91 X(o=-1.9,f=-1.8) USER MOD Single : A 118 GLN : amide:sc= -0.0538 X(o=-0.054,f=0) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 GLN : amide:sc= 0 X(o=0,f=-0.019) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 23 -0.039 -0.400 -0.124 1.00 3.22 N ATOM 2 CA ALA A 23 0.940 -0.295 -1.200 1.00 14.24 C ATOM 3 C ALA A 23 1.280 -1.669 -1.769 1.00 15.25 C ATOM 4 O ALA A 23 1.789 -1.780 -2.884 1.00 60.11 O ATOM 5 CB ALA A 23 2.198 0.398 -0.702 1.00 25.04 C ATOM 0 HA ALA A 23 0.502 0.302 -2.000 1.00 14.24 H new ATOM 0 HB1 ALA A 23 2.920 0.470 -1.515 1.00 25.04 H new ATOM 0 HB2 ALA A 23 1.947 1.399 -0.350 1.00 25.04 H new ATOM 0 HB3 ALA A 23 2.630 -0.177 0.117 1.00 25.04 H new ATOM 11 N ARG A 24 0.994 -2.711 -0.996 1.00 21.44 N ATOM 12 CA ARG A 24 1.272 -4.077 -1.422 1.00 52.14 C ATOM 13 C ARG A 24 0.689 -4.342 -2.807 1.00 62.34 C ATOM 14 O ARG A 24 1.226 -5.142 -3.574 1.00 24.33 O ATOM 15 CB ARG A 24 0.697 -5.075 -0.416 1.00 75.24 C ATOM 16 CG ARG A 24 -0.808 -4.961 -0.237 1.00 34.41 C ATOM 17 CD ARG A 24 -1.244 -5.445 1.138 1.00 64.03 C ATOM 18 NE ARG A 24 -2.688 -5.330 1.325 1.00 32.43 N ATOM 19 CZ ARG A 24 -3.286 -5.440 2.507 1.00 74.44 C ATOM 20 NH1 ARG A 24 -2.569 -5.666 3.599 1.00 51.54 N ATOM 21 NH2 ARG A 24 -4.605 -5.324 2.596 1.00 30.54 N ATOM 0 H ARG A 24 0.570 -2.635 -0.071 1.00 21.44 H new ATOM 0 HA ARG A 24 2.354 -4.203 -1.470 1.00 52.14 H new ATOM 0 HB2 ARG A 24 0.940 -6.087 -0.741 1.00 75.24 H new ATOM 0 HB3 ARG A 24 1.181 -4.925 0.549 1.00 75.24 H new ATOM 0 HG2 ARG A 24 -1.114 -3.924 -0.373 1.00 34.41 H new ATOM 0 HG3 ARG A 24 -1.312 -5.545 -1.006 1.00 34.41 H new ATOM 0 HD2 ARG A 24 -0.943 -6.484 1.269 1.00 64.03 H new ATOM 0 HD3 ARG A 24 -0.732 -4.866 1.906 1.00 64.03 H new ATOM 0 HE ARG A 24 -3.269 -5.156 0.505 1.00 32.43 H new ATOM 0 HH11 ARG A 24 -1.555 -5.756 3.534 1.00 51.54 H new ATOM 0 HH12 ARG A 24 -3.031 -5.750 4.504 1.00 51.54 H new ATOM 0 HH21 ARG A 24 -5.159 -5.151 1.758 1.00 30.54 H new ATOM 0 HH22 ARG A 24 -5.064 -5.408 3.503 1.00 30.54 H new ATOM 35 N GLU A 25 -0.411 -3.666 -3.121 1.00 34.33 N ATOM 36 CA GLU A 25 -1.066 -3.832 -4.413 1.00 50.33 C ATOM 37 C GLU A 25 -0.300 -3.095 -5.509 1.00 72.45 C ATOM 38 O GLU A 25 -0.222 -3.562 -6.645 1.00 50.33 O ATOM 39 CB GLU A 25 -2.506 -3.317 -4.350 1.00 20.12 C ATOM 40 CG GLU A 25 -3.288 -3.845 -3.159 1.00 32.05 C ATOM 41 CD GLU A 25 -3.388 -2.835 -2.031 1.00 61.14 C ATOM 42 OE1 GLU A 25 -2.403 -2.102 -1.804 1.00 64.44 O ATOM 43 OE2 GLU A 25 -4.449 -2.778 -1.378 1.00 13.45 O ATOM 0 H GLU A 25 -0.867 -2.999 -2.499 1.00 34.33 H new ATOM 0 HA GLU A 25 -1.078 -4.895 -4.652 1.00 50.33 H new ATOM 0 HB2 GLU A 25 -2.492 -2.228 -4.311 1.00 20.12 H new ATOM 0 HB3 GLU A 25 -3.024 -3.597 -5.267 1.00 20.12 H new ATOM 0 HG2 GLU A 25 -4.291 -4.123 -3.482 1.00 32.05 H new ATOM 0 HG3 GLU A 25 -2.810 -4.752 -2.788 1.00 32.05 H new ATOM 50 N GLU A 26 0.262 -1.944 -5.158 1.00 52.41 N ATOM 51 CA GLU A 26 1.021 -1.142 -6.113 1.00 34.52 C ATOM 52 C GLU A 26 2.160 -1.955 -6.719 1.00 71.44 C ATOM 53 O GLU A 26 2.325 -2.000 -7.940 1.00 44.10 O ATOM 54 CB GLU A 26 1.578 0.109 -5.432 1.00 53.31 C ATOM 55 CG GLU A 26 1.140 1.406 -6.091 1.00 13.50 C ATOM 56 CD GLU A 26 1.745 2.630 -5.431 1.00 3.20 C ATOM 57 OE1 GLU A 26 2.977 2.650 -5.234 1.00 24.21 O ATOM 58 OE2 GLU A 26 0.985 3.567 -5.110 1.00 12.32 O ATOM 0 H GLU A 26 0.207 -1.545 -4.221 1.00 52.41 H new ATOM 0 HA GLU A 26 0.346 -0.840 -6.914 1.00 34.52 H new ATOM 0 HB2 GLU A 26 1.262 0.116 -4.389 1.00 53.31 H new ATOM 0 HB3 GLU A 26 2.667 0.060 -5.434 1.00 53.31 H new ATOM 0 HG2 GLU A 26 1.423 1.388 -7.143 1.00 13.50 H new ATOM 0 HG3 GLU A 26 0.053 1.478 -6.055 1.00 13.50 H new ATOM 65 N LEU A 27 2.945 -2.596 -5.860 1.00 54.32 N ATOM 66 CA LEU A 27 4.071 -3.408 -6.311 1.00 14.52 C ATOM 67 C LEU A 27 3.625 -4.427 -7.353 1.00 75.52 C ATOM 68 O LEU A 27 4.114 -4.431 -8.483 1.00 33.21 O ATOM 69 CB LEU A 27 4.716 -4.123 -5.123 1.00 24.12 C ATOM 70 CG LEU A 27 5.626 -5.304 -5.465 1.00 35.10 C ATOM 71 CD1 LEU A 27 7.045 -5.039 -4.990 1.00 62.32 C ATOM 72 CD2 LEU A 27 5.086 -6.588 -4.851 1.00 4.45 C ATOM 0 H LEU A 27 2.823 -2.570 -4.848 1.00 54.32 H new ATOM 0 HA LEU A 27 4.805 -2.746 -6.770 1.00 14.52 H new ATOM 0 HB2 LEU A 27 5.297 -3.394 -4.557 1.00 24.12 H new ATOM 0 HB3 LEU A 27 3.924 -4.479 -4.465 1.00 24.12 H new ATOM 0 HG LEU A 27 5.644 -5.423 -6.548 1.00 35.10 H new ATOM 0 HD11 LEU A 27 7.678 -5.890 -5.242 1.00 62.32 H new ATOM 0 HD12 LEU A 27 7.430 -4.143 -5.477 1.00 62.32 H new ATOM 0 HD13 LEU A 27 7.046 -4.893 -3.910 1.00 62.32 H new ATOM 0 HD21 LEU A 27 5.746 -7.418 -5.104 1.00 4.45 H new ATOM 0 HD22 LEU A 27 5.037 -6.481 -3.767 1.00 4.45 H new ATOM 0 HD23 LEU A 27 4.088 -6.786 -5.241 1.00 4.45 H new ATOM 84 N ARG A 28 2.691 -5.291 -6.966 1.00 63.44 N ATOM 85 CA ARG A 28 2.177 -6.316 -7.867 1.00 22.43 C ATOM 86 C ARG A 28 1.700 -5.698 -9.179 1.00 5.33 C ATOM 87 O ARG A 28 1.998 -6.205 -10.260 1.00 23.13 O ATOM 88 CB ARG A 28 1.029 -7.079 -7.204 1.00 64.23 C ATOM 89 CG ARG A 28 0.776 -8.449 -7.814 1.00 5.32 C ATOM 90 CD ARG A 28 0.156 -8.337 -9.198 1.00 43.42 C ATOM 91 NE ARG A 28 -0.974 -9.245 -9.367 1.00 71.42 N ATOM 92 CZ ARG A 28 -1.929 -9.071 -10.273 1.00 44.53 C ATOM 93 NH1 ARG A 28 -1.891 -8.026 -11.088 1.00 45.40 N ATOM 94 NH2 ARG A 28 -2.925 -9.942 -10.366 1.00 62.31 N ATOM 0 H ARG A 28 2.275 -5.301 -6.035 1.00 63.44 H new ATOM 0 HA ARG A 28 2.988 -7.011 -8.086 1.00 22.43 H new ATOM 0 HB2 ARG A 28 1.248 -7.198 -6.143 1.00 64.23 H new ATOM 0 HB3 ARG A 28 0.118 -6.484 -7.277 1.00 64.23 H new ATOM 0 HG2 ARG A 28 1.715 -8.999 -7.878 1.00 5.32 H new ATOM 0 HG3 ARG A 28 0.115 -9.022 -7.163 1.00 5.32 H new ATOM 0 HD2 ARG A 28 -0.175 -7.312 -9.365 1.00 43.42 H new ATOM 0 HD3 ARG A 28 0.912 -8.555 -9.952 1.00 43.42 H new ATOM 0 HE ARG A 28 -1.033 -10.059 -8.755 1.00 71.42 H new ATOM 0 HH11 ARG A 28 -1.127 -7.354 -11.020 1.00 45.40 H new ATOM 0 HH12 ARG A 28 -2.626 -7.894 -11.783 1.00 45.40 H new ATOM 0 HH21 ARG A 28 -2.958 -10.747 -9.741 1.00 62.31 H new ATOM 0 HH22 ARG A 28 -3.658 -9.806 -11.063 1.00 62.31 H new ATOM 108 N ARG A 29 0.959 -4.599 -9.074 1.00 64.32 N ATOM 109 CA ARG A 29 0.441 -3.914 -10.250 1.00 53.32 C ATOM 110 C ARG A 29 1.572 -3.527 -11.198 1.00 42.13 C ATOM 111 O ARG A 29 1.355 -3.333 -12.394 1.00 53.53 O ATOM 112 CB ARG A 29 -0.341 -2.665 -9.837 1.00 20.35 C ATOM 113 CG ARG A 29 -1.704 -2.552 -10.499 1.00 30.53 C ATOM 114 CD ARG A 29 -2.807 -3.084 -9.598 1.00 73.44 C ATOM 115 NE ARG A 29 -3.840 -3.789 -10.354 1.00 42.43 N ATOM 116 CZ ARG A 29 -4.803 -4.508 -9.789 1.00 22.02 C ATOM 117 NH1 ARG A 29 -4.866 -4.616 -8.469 1.00 60.05 N ATOM 118 NH2 ARG A 29 -5.706 -5.120 -10.545 1.00 4.24 N ATOM 0 H ARG A 29 0.705 -4.165 -8.187 1.00 64.32 H new ATOM 0 HA ARG A 29 -0.228 -4.599 -10.771 1.00 53.32 H new ATOM 0 HB2 ARG A 29 -0.472 -2.670 -8.755 1.00 20.35 H new ATOM 0 HB3 ARG A 29 0.247 -1.781 -10.083 1.00 20.35 H new ATOM 0 HG2 ARG A 29 -1.905 -1.509 -10.745 1.00 30.53 H new ATOM 0 HG3 ARG A 29 -1.701 -3.106 -11.438 1.00 30.53 H new ATOM 0 HD2 ARG A 29 -2.376 -3.758 -8.857 1.00 73.44 H new ATOM 0 HD3 ARG A 29 -3.259 -2.256 -9.051 1.00 73.44 H new ATOM 0 HE ARG A 29 -3.820 -3.725 -11.372 1.00 42.43 H new ATOM 0 HH11 ARG A 29 -4.174 -4.146 -7.885 1.00 60.05 H new ATOM 0 HH12 ARG A 29 -5.607 -5.169 -8.037 1.00 60.05 H new ATOM 0 HH21 ARG A 29 -5.661 -5.038 -11.561 1.00 4.24 H new ATOM 0 HH22 ARG A 29 -6.445 -5.672 -10.110 1.00 4.24 H new ATOM 132 N ARG A 30 2.780 -3.416 -10.654 1.00 51.12 N ATOM 133 CA ARG A 30 3.946 -3.051 -11.451 1.00 32.30 C ATOM 134 C ARG A 30 4.573 -4.285 -12.092 1.00 43.43 C ATOM 135 O ARG A 30 5.060 -4.230 -13.223 1.00 3.42 O ATOM 136 CB ARG A 30 4.979 -2.333 -10.580 1.00 62.34 C ATOM 137 CG ARG A 30 5.073 -0.841 -10.852 1.00 63.14 C ATOM 138 CD ARG A 30 6.315 -0.235 -10.216 1.00 33.54 C ATOM 139 NE ARG A 30 7.093 0.548 -11.170 1.00 44.02 N ATOM 140 CZ ARG A 30 7.942 0.013 -12.042 1.00 73.52 C ATOM 141 NH1 ARG A 30 8.117 -1.302 -12.079 1.00 44.23 N ATOM 142 NH2 ARG A 30 8.614 0.791 -12.879 1.00 1.20 N ATOM 0 H ARG A 30 2.977 -3.573 -9.666 1.00 51.12 H new ATOM 0 HA ARG A 30 3.619 -2.378 -12.244 1.00 32.30 H new ATOM 0 HB2 ARG A 30 4.727 -2.487 -9.531 1.00 62.34 H new ATOM 0 HB3 ARG A 30 5.957 -2.786 -10.743 1.00 62.34 H new ATOM 0 HG2 ARG A 30 5.092 -0.667 -11.928 1.00 63.14 H new ATOM 0 HG3 ARG A 30 4.184 -0.343 -10.464 1.00 63.14 H new ATOM 0 HD2 ARG A 30 6.021 0.400 -9.381 1.00 33.54 H new ATOM 0 HD3 ARG A 30 6.938 -1.031 -9.807 1.00 33.54 H new ATOM 0 HE ARG A 30 6.979 1.562 -11.168 1.00 44.02 H new ATOM 0 HH11 ARG A 30 7.600 -1.904 -11.438 1.00 44.23 H new ATOM 0 HH12 ARG A 30 8.769 -1.711 -12.749 1.00 44.23 H new ATOM 0 HH21 ARG A 30 8.480 1.802 -12.855 1.00 1.20 H new ATOM 0 HH22 ARG A 30 9.265 0.379 -13.547 1.00 1.20 H new ATOM 156 N LEU A 31 4.560 -5.395 -11.364 1.00 64.11 N ATOM 157 CA LEU A 31 5.128 -6.643 -11.862 1.00 63.51 C ATOM 158 C LEU A 31 4.336 -7.165 -13.056 1.00 50.22 C ATOM 159 O LEU A 31 4.901 -7.749 -13.981 1.00 61.11 O ATOM 160 CB LEU A 31 5.150 -7.696 -10.752 1.00 44.50 C ATOM 161 CG LEU A 31 5.541 -7.195 -9.360 1.00 60.31 C ATOM 162 CD1 LEU A 31 5.709 -8.362 -8.401 1.00 61.33 C ATOM 163 CD2 LEU A 31 6.817 -6.369 -9.429 1.00 63.34 C ATOM 0 H LEU A 31 4.162 -5.457 -10.427 1.00 64.11 H new ATOM 0 HA LEU A 31 6.149 -6.443 -12.186 1.00 63.51 H new ATOM 0 HB2 LEU A 31 4.161 -8.149 -10.689 1.00 44.50 H new ATOM 0 HB3 LEU A 31 5.844 -8.485 -11.041 1.00 44.50 H new ATOM 0 HG LEU A 31 4.740 -6.557 -8.986 1.00 60.31 H new ATOM 0 HD11 LEU A 31 5.987 -7.987 -7.416 1.00 61.33 H new ATOM 0 HD12 LEU A 31 4.770 -8.911 -8.328 1.00 61.33 H new ATOM 0 HD13 LEU A 31 6.490 -9.026 -8.770 1.00 61.33 H new ATOM 0 HD21 LEU A 31 7.080 -6.021 -8.430 1.00 63.34 H new ATOM 0 HD22 LEU A 31 7.627 -6.982 -9.824 1.00 63.34 H new ATOM 0 HD23 LEU A 31 6.660 -5.511 -10.082 1.00 63.34 H new ATOM 175 N ARG A 32 3.025 -6.946 -13.031 1.00 23.42 N ATOM 176 CA ARG A 32 2.155 -7.393 -14.112 1.00 62.10 C ATOM 177 C ARG A 32 2.145 -6.382 -15.255 1.00 53.30 C ATOM 178 O ARG A 32 1.872 -6.731 -16.403 1.00 61.42 O ATOM 179 CB ARG A 32 0.732 -7.609 -13.594 1.00 61.21 C ATOM 180 CG ARG A 32 0.401 -9.065 -13.312 1.00 5.03 C ATOM 181 CD ARG A 32 0.493 -9.912 -14.572 1.00 24.45 C ATOM 182 NE ARG A 32 -0.720 -10.694 -14.795 1.00 0.15 N ATOM 183 CZ ARG A 32 -0.951 -11.392 -15.902 1.00 5.23 C ATOM 184 NH1 ARG A 32 -0.056 -11.406 -16.880 1.00 23.43 N ATOM 185 NH2 ARG A 32 -2.079 -12.078 -16.031 1.00 20.41 N ATOM 0 H ARG A 32 2.542 -6.462 -12.274 1.00 23.42 H new ATOM 0 HA ARG A 32 2.543 -8.339 -14.490 1.00 62.10 H new ATOM 0 HB2 ARG A 32 0.595 -7.031 -12.680 1.00 61.21 H new ATOM 0 HB3 ARG A 32 0.025 -7.220 -14.326 1.00 61.21 H new ATOM 0 HG2 ARG A 32 1.086 -9.456 -12.559 1.00 5.03 H new ATOM 0 HG3 ARG A 32 -0.604 -9.137 -12.897 1.00 5.03 H new ATOM 0 HD2 ARG A 32 0.671 -9.265 -15.431 1.00 24.45 H new ATOM 0 HD3 ARG A 32 1.348 -10.583 -14.496 1.00 24.45 H new ATOM 0 HE ARG A 32 -1.428 -10.705 -14.061 1.00 0.15 H new ATOM 0 HH11 ARG A 32 0.813 -10.880 -16.784 1.00 23.43 H new ATOM 0 HH12 ARG A 32 -0.236 -11.943 -17.728 1.00 23.43 H new ATOM 0 HH21 ARG A 32 -2.770 -12.070 -15.280 1.00 20.41 H new ATOM 0 HH22 ARG A 32 -2.256 -12.614 -16.881 1.00 20.41 H new ATOM 199 N ASP A 33 2.442 -5.129 -14.931 1.00 14.42 N ATOM 200 CA ASP A 33 2.468 -4.066 -15.929 1.00 74.03 C ATOM 201 C ASP A 33 3.812 -4.027 -16.648 1.00 1.23 C ATOM 202 O ASP A 33 3.899 -3.610 -17.803 1.00 50.13 O ATOM 203 CB ASP A 33 2.186 -2.714 -15.273 1.00 50.23 C ATOM 204 CG ASP A 33 1.902 -1.625 -16.290 1.00 24.35 C ATOM 205 OD1 ASP A 33 0.857 -1.705 -16.969 1.00 11.20 O ATOM 206 OD2 ASP A 33 2.724 -0.692 -16.405 1.00 2.13 O ATOM 0 H ASP A 33 2.668 -4.824 -13.984 1.00 14.42 H new ATOM 0 HA ASP A 33 1.690 -4.273 -16.664 1.00 74.03 H new ATOM 0 HB2 ASP A 33 1.334 -2.810 -14.601 1.00 50.23 H new ATOM 0 HB3 ASP A 33 3.042 -2.424 -14.663 1.00 50.23 H new ATOM 211 N LEU A 34 4.859 -4.463 -15.956 1.00 30.31 N ATOM 212 CA LEU A 34 6.202 -4.477 -16.527 1.00 1.30 C ATOM 213 C LEU A 34 6.235 -5.289 -17.818 1.00 44.31 C ATOM 214 O LEU A 34 7.096 -5.078 -18.673 1.00 1.31 O ATOM 215 CB LEU A 34 7.199 -5.055 -15.522 1.00 20.23 C ATOM 216 CG LEU A 34 8.526 -4.308 -15.387 1.00 44.14 C ATOM 217 CD1 LEU A 34 9.579 -5.201 -14.750 1.00 44.23 C ATOM 218 CD2 LEU A 34 8.997 -3.810 -16.746 1.00 40.14 C ATOM 0 H LEU A 34 4.804 -4.811 -14.999 1.00 30.31 H new ATOM 0 HA LEU A 34 6.483 -3.449 -16.758 1.00 1.30 H new ATOM 0 HB2 LEU A 34 6.721 -5.085 -14.543 1.00 20.23 H new ATOM 0 HB3 LEU A 34 7.413 -6.086 -15.804 1.00 20.23 H new ATOM 0 HG LEU A 34 8.372 -3.445 -14.739 1.00 44.14 H new ATOM 0 HD11 LEU A 34 10.517 -4.652 -14.662 1.00 44.23 H new ATOM 0 HD12 LEU A 34 9.244 -5.509 -13.759 1.00 44.23 H new ATOM 0 HD13 LEU A 34 9.732 -6.083 -15.371 1.00 44.23 H new ATOM 0 HD21 LEU A 34 9.943 -3.281 -16.632 1.00 40.14 H new ATOM 0 HD22 LEU A 34 9.135 -4.658 -17.417 1.00 40.14 H new ATOM 0 HD23 LEU A 34 8.251 -3.134 -17.164 1.00 40.14 H new ATOM 230 N ILE A 35 5.293 -6.216 -17.953 1.00 21.11 N ATOM 231 CA ILE A 35 5.214 -7.056 -19.141 1.00 74.41 C ATOM 232 C ILE A 35 4.564 -6.309 -20.300 1.00 60.32 C ATOM 233 O ILE A 35 4.764 -6.655 -21.464 1.00 40.33 O ATOM 234 CB ILE A 35 4.418 -8.346 -18.866 1.00 72.12 C ATOM 235 CG1 ILE A 35 4.986 -9.072 -17.645 1.00 42.22 C ATOM 236 CG2 ILE A 35 4.440 -9.253 -20.087 1.00 63.11 C ATOM 237 CD1 ILE A 35 4.081 -9.020 -16.435 1.00 4.42 C ATOM 0 H ILE A 35 4.574 -6.404 -17.254 1.00 21.11 H new ATOM 0 HA ILE A 35 6.237 -7.320 -19.410 1.00 74.41 H new ATOM 0 HB ILE A 35 3.383 -8.078 -18.656 1.00 72.12 H new ATOM 0 HG12 ILE A 35 5.171 -10.114 -17.906 1.00 42.22 H new ATOM 0 HG13 ILE A 35 5.949 -8.632 -17.387 1.00 42.22 H new ATOM 0 HG21 ILE A 35 3.873 -10.160 -19.877 1.00 63.11 H new ATOM 0 HG22 ILE A 35 3.992 -8.734 -20.934 1.00 63.11 H new ATOM 0 HG23 ILE A 35 5.470 -9.516 -20.326 1.00 63.11 H new ATOM 0 HD11 ILE A 35 4.548 -9.555 -15.608 1.00 4.42 H new ATOM 0 HD12 ILE A 35 3.916 -7.981 -16.148 1.00 4.42 H new ATOM 0 HD13 ILE A 35 3.125 -9.486 -16.675 1.00 4.42 H new ATOM 249 N GLU A 36 3.786 -5.281 -19.974 1.00 43.23 N ATOM 250 CA GLU A 36 3.109 -4.484 -20.989 1.00 73.14 C ATOM 251 C GLU A 36 4.026 -3.388 -21.523 1.00 72.34 C ATOM 252 O GLU A 36 3.934 -2.997 -22.686 1.00 75.11 O ATOM 253 CB GLU A 36 1.834 -3.862 -20.414 1.00 43.43 C ATOM 254 CG GLU A 36 0.897 -4.874 -19.778 1.00 14.24 C ATOM 255 CD GLU A 36 -0.560 -4.600 -20.095 1.00 50.42 C ATOM 256 OE1 GLU A 36 -0.957 -3.416 -20.090 1.00 52.12 O ATOM 257 OE2 GLU A 36 -1.304 -5.570 -20.348 1.00 31.41 O ATOM 0 H GLU A 36 3.609 -4.981 -19.015 1.00 43.23 H new ATOM 0 HA GLU A 36 2.843 -5.144 -21.814 1.00 73.14 H new ATOM 0 HB2 GLU A 36 2.108 -3.115 -19.669 1.00 43.43 H new ATOM 0 HB3 GLU A 36 1.304 -3.339 -21.210 1.00 43.43 H new ATOM 0 HG2 GLU A 36 1.159 -5.874 -20.125 1.00 14.24 H new ATOM 0 HG3 GLU A 36 1.038 -4.865 -18.697 1.00 14.24 H new ATOM 264 N GLY A 37 4.913 -2.896 -20.664 1.00 30.12 N ATOM 265 CA GLY A 37 5.834 -1.849 -21.066 1.00 22.30 C ATOM 266 C GLY A 37 6.985 -2.379 -21.900 1.00 34.25 C ATOM 267 O GLY A 37 7.724 -1.608 -22.509 1.00 3.01 O ATOM 0 H GLY A 37 5.010 -3.204 -19.696 1.00 30.12 H new ATOM 0 HA2 GLY A 37 5.294 -1.093 -21.636 1.00 22.30 H new ATOM 0 HA3 GLY A 37 6.229 -1.356 -20.178 1.00 22.30 H new ATOM 271 N ASN A 38 7.138 -3.699 -21.924 1.00 53.20 N ATOM 272 CA ASN A 38 8.207 -4.331 -22.686 1.00 3.02 C ATOM 273 C ASN A 38 7.707 -5.592 -23.383 1.00 65.10 C ATOM 274 O ASN A 38 6.945 -6.370 -22.809 1.00 61.24 O ATOM 275 CB ASN A 38 9.383 -4.673 -21.768 1.00 30.40 C ATOM 276 CG ASN A 38 9.758 -3.522 -20.856 1.00 24.33 C ATOM 277 OD1 ASN A 38 10.696 -2.774 -21.134 1.00 61.21 O ATOM 278 ND2 ASN A 38 9.025 -3.374 -19.758 1.00 3.53 N ATOM 0 H ASN A 38 6.534 -4.352 -21.424 1.00 53.20 H new ATOM 0 HA ASN A 38 8.542 -3.626 -23.447 1.00 3.02 H new ATOM 0 HB2 ASN A 38 9.127 -5.543 -21.164 1.00 30.40 H new ATOM 0 HB3 ASN A 38 10.246 -4.948 -22.375 1.00 30.40 H new ATOM 0 HD21 ASN A 38 9.230 -2.617 -19.106 1.00 3.53 H new ATOM 0 HD22 ASN A 38 8.257 -4.017 -19.567 1.00 3.53 H new ATOM 285 N ARG A 39 8.143 -5.788 -24.624 1.00 15.24 N ATOM 286 CA ARG A 39 7.739 -6.955 -25.399 1.00 20.00 C ATOM 287 C ARG A 39 7.885 -8.232 -24.577 1.00 3.53 C ATOM 288 O ARG A 39 6.934 -8.999 -24.428 1.00 10.03 O ATOM 289 CB ARG A 39 8.575 -7.059 -26.676 1.00 43.01 C ATOM 290 CG ARG A 39 8.458 -8.405 -27.373 1.00 51.51 C ATOM 291 CD ARG A 39 7.004 -8.780 -27.619 1.00 23.15 C ATOM 292 NE ARG A 39 6.321 -7.801 -28.460 1.00 63.43 N ATOM 293 CZ ARG A 39 6.538 -7.676 -29.765 1.00 62.14 C ATOM 294 NH1 ARG A 39 7.414 -8.463 -30.373 1.00 71.42 N ATOM 295 NH2 ARG A 39 5.877 -6.762 -30.464 1.00 72.03 N ATOM 0 H ARG A 39 8.775 -5.154 -25.113 1.00 15.24 H new ATOM 0 HA ARG A 39 6.689 -6.836 -25.668 1.00 20.00 H new ATOM 0 HB2 ARG A 39 8.267 -6.274 -27.367 1.00 43.01 H new ATOM 0 HB3 ARG A 39 9.621 -6.876 -26.431 1.00 43.01 H new ATOM 0 HG2 ARG A 39 8.992 -8.372 -28.323 1.00 51.51 H new ATOM 0 HG3 ARG A 39 8.935 -9.174 -26.765 1.00 51.51 H new ATOM 0 HD2 ARG A 39 6.958 -9.760 -28.093 1.00 23.15 H new ATOM 0 HD3 ARG A 39 6.485 -8.863 -26.664 1.00 23.15 H new ATOM 0 HE ARG A 39 5.641 -7.180 -28.022 1.00 63.43 H new ATOM 0 HH11 ARG A 39 7.924 -9.167 -29.839 1.00 71.42 H new ATOM 0 HH12 ARG A 39 7.578 -8.365 -31.375 1.00 71.42 H new ATOM 0 HH21 ARG A 39 5.202 -6.155 -30.000 1.00 72.03 H new ATOM 0 HH22 ARG A 39 6.044 -6.667 -31.466 1.00 72.03 H new ATOM 309 N VAL A 40 9.083 -8.454 -24.046 1.00 25.23 N ATOM 310 CA VAL A 40 9.355 -9.637 -23.239 1.00 34.23 C ATOM 311 C VAL A 40 10.012 -9.261 -21.915 1.00 41.23 C ATOM 312 O VAL A 40 11.103 -8.693 -21.892 1.00 12.12 O ATOM 313 CB VAL A 40 10.263 -10.631 -23.986 1.00 3.43 C ATOM 314 CG1 VAL A 40 10.691 -11.761 -23.063 1.00 24.33 C ATOM 315 CG2 VAL A 40 9.557 -11.175 -25.218 1.00 73.15 C ATOM 0 H VAL A 40 9.881 -7.829 -24.160 1.00 25.23 H new ATOM 0 HA VAL A 40 8.394 -10.112 -23.042 1.00 34.23 H new ATOM 0 HB VAL A 40 11.159 -10.103 -24.313 1.00 3.43 H new ATOM 0 HG11 VAL A 40 11.332 -12.453 -23.609 1.00 24.33 H new ATOM 0 HG12 VAL A 40 11.239 -11.350 -22.215 1.00 24.33 H new ATOM 0 HG13 VAL A 40 9.809 -12.290 -22.703 1.00 24.33 H new ATOM 0 HG21 VAL A 40 10.213 -11.876 -25.734 1.00 73.15 H new ATOM 0 HG22 VAL A 40 8.643 -11.688 -24.917 1.00 73.15 H new ATOM 0 HG23 VAL A 40 9.307 -10.352 -25.888 1.00 73.15 H new ATOM 325 N MET A 41 9.339 -9.581 -20.814 1.00 71.42 N ATOM 326 CA MET A 41 9.860 -9.278 -19.486 1.00 54.03 C ATOM 327 C MET A 41 9.960 -10.543 -18.640 1.00 75.12 C ATOM 328 O MET A 41 8.995 -11.299 -18.519 1.00 54.05 O ATOM 329 CB MET A 41 8.965 -8.253 -18.787 1.00 11.02 C ATOM 330 CG MET A 41 9.738 -7.220 -17.984 1.00 14.41 C ATOM 331 SD MET A 41 10.737 -6.137 -19.023 1.00 52.11 S ATOM 332 CE MET A 41 11.578 -5.157 -17.781 1.00 74.40 C ATOM 0 H MET A 41 8.433 -10.049 -20.815 1.00 71.42 H new ATOM 0 HA MET A 41 10.860 -8.859 -19.601 1.00 54.03 H new ATOM 0 HB2 MET A 41 8.360 -7.741 -19.535 1.00 11.02 H new ATOM 0 HB3 MET A 41 8.277 -8.776 -18.123 1.00 11.02 H new ATOM 0 HG2 MET A 41 9.038 -6.617 -17.405 1.00 14.41 H new ATOM 0 HG3 MET A 41 10.385 -7.730 -17.270 1.00 14.41 H new ATOM 0 HE1 MET A 41 11.401 -4.098 -17.971 1.00 74.40 H new ATOM 0 HE2 MET A 41 11.197 -5.417 -16.793 1.00 74.40 H new ATOM 0 HE3 MET A 41 12.648 -5.359 -17.822 1.00 74.40 H new ATOM 342 N ILE A 42 11.132 -10.768 -18.057 1.00 12.22 N ATOM 343 CA ILE A 42 11.357 -11.941 -17.221 1.00 71.22 C ATOM 344 C ILE A 42 11.984 -11.553 -15.886 1.00 20.41 C ATOM 345 O ILE A 42 12.677 -10.541 -15.785 1.00 22.45 O ATOM 346 CB ILE A 42 12.267 -12.966 -17.924 1.00 73.12 C ATOM 347 CG1 ILE A 42 13.681 -12.403 -18.080 1.00 60.21 C ATOM 348 CG2 ILE A 42 11.689 -13.345 -19.280 1.00 23.23 C ATOM 349 CD1 ILE A 42 14.656 -13.382 -18.697 1.00 51.41 C ATOM 0 H ILE A 42 11.941 -10.153 -18.148 1.00 12.22 H new ATOM 0 HA ILE A 42 10.382 -12.394 -17.043 1.00 71.22 H new ATOM 0 HB ILE A 42 12.320 -13.865 -17.309 1.00 73.12 H new ATOM 0 HG12 ILE A 42 13.640 -11.505 -18.697 1.00 60.21 H new ATOM 0 HG13 ILE A 42 14.053 -12.100 -17.101 1.00 60.21 H new ATOM 0 HG21 ILE A 42 12.343 -14.070 -19.765 1.00 23.23 H new ATOM 0 HG22 ILE A 42 10.700 -13.782 -19.144 1.00 23.23 H new ATOM 0 HG23 ILE A 42 11.610 -12.454 -19.903 1.00 23.23 H new ATOM 0 HD11 ILE A 42 15.638 -12.916 -18.777 1.00 51.41 H new ATOM 0 HD12 ILE A 42 14.726 -14.270 -18.069 1.00 51.41 H new ATOM 0 HD13 ILE A 42 14.307 -13.666 -19.690 1.00 51.41 H new ATOM 361 N PHE A 43 11.736 -12.366 -14.864 1.00 73.14 N ATOM 362 CA PHE A 43 12.277 -12.109 -13.535 1.00 34.12 C ATOM 363 C PHE A 43 13.125 -13.283 -13.056 1.00 22.30 C ATOM 364 O PHE A 43 12.820 -14.441 -13.343 1.00 63.33 O ATOM 365 CB PHE A 43 11.142 -11.847 -12.542 1.00 52.12 C ATOM 366 CG PHE A 43 10.335 -10.622 -12.864 1.00 1.25 C ATOM 367 CD1 PHE A 43 9.522 -10.586 -13.985 1.00 22.02 C ATOM 368 CD2 PHE A 43 10.390 -9.505 -12.045 1.00 54.01 C ATOM 369 CE1 PHE A 43 8.777 -9.461 -14.284 1.00 3.22 C ATOM 370 CE2 PHE A 43 9.648 -8.377 -12.339 1.00 32.23 C ATOM 371 CZ PHE A 43 8.842 -8.354 -13.460 1.00 73.10 C ATOM 0 H PHE A 43 11.164 -13.208 -14.931 1.00 73.14 H new ATOM 0 HA PHE A 43 12.912 -11.225 -13.593 1.00 34.12 H new ATOM 0 HB2 PHE A 43 10.481 -12.713 -12.522 1.00 52.12 H new ATOM 0 HB3 PHE A 43 11.562 -11.743 -11.542 1.00 52.12 H new ATOM 0 HD1 PHE A 43 9.470 -11.448 -14.634 1.00 22.02 H new ATOM 0 HD2 PHE A 43 11.020 -9.516 -11.168 1.00 54.01 H new ATOM 0 HE1 PHE A 43 8.145 -9.447 -15.160 1.00 3.22 H new ATOM 0 HE2 PHE A 43 9.698 -7.514 -11.692 1.00 32.23 H new ATOM 0 HZ PHE A 43 8.263 -7.472 -13.692 1.00 73.10 H new ATOM 381 N SER A 44 14.192 -12.976 -12.326 1.00 22.40 N ATOM 382 CA SER A 44 15.089 -14.005 -11.811 1.00 74.12 C ATOM 383 C SER A 44 15.696 -13.578 -10.478 1.00 62.13 C ATOM 384 O SER A 44 15.228 -12.633 -9.842 1.00 42.34 O ATOM 385 CB SER A 44 16.199 -14.296 -12.821 1.00 42.33 C ATOM 386 OG SER A 44 16.315 -15.687 -13.065 1.00 43.23 O ATOM 0 H SER A 44 14.457 -12.023 -12.077 1.00 22.40 H new ATOM 0 HA SER A 44 14.507 -14.913 -11.651 1.00 74.12 H new ATOM 0 HB2 SER A 44 15.990 -13.776 -13.756 1.00 42.33 H new ATOM 0 HB3 SER A 44 17.147 -13.909 -12.446 1.00 42.33 H new ATOM 0 HG SER A 44 15.478 -16.133 -12.819 1.00 43.23 H new ATOM 392 N LYS A 45 16.742 -14.282 -10.060 1.00 32.22 N ATOM 393 CA LYS A 45 17.416 -13.979 -8.803 1.00 4.41 C ATOM 394 C LYS A 45 18.932 -14.034 -8.972 1.00 52.35 C ATOM 395 O LYS A 45 19.436 -14.179 -10.085 1.00 24.32 O ATOM 396 CB LYS A 45 16.978 -14.960 -7.715 1.00 33.35 C ATOM 397 CG LYS A 45 15.742 -14.512 -6.954 1.00 22.35 C ATOM 398 CD LYS A 45 15.921 -14.678 -5.454 1.00 33.41 C ATOM 399 CE LYS A 45 14.763 -15.449 -4.837 1.00 10.22 C ATOM 400 NZ LYS A 45 14.898 -15.562 -3.359 1.00 33.34 N ATOM 0 H LYS A 45 17.142 -15.067 -10.574 1.00 32.22 H new ATOM 0 HA LYS A 45 17.137 -12.968 -8.505 1.00 4.41 H new ATOM 0 HB2 LYS A 45 16.782 -15.931 -8.170 1.00 33.35 H new ATOM 0 HB3 LYS A 45 17.798 -15.098 -7.010 1.00 33.35 H new ATOM 0 HG2 LYS A 45 15.531 -13.467 -7.183 1.00 22.35 H new ATOM 0 HG3 LYS A 45 14.880 -15.091 -7.285 1.00 22.35 H new ATOM 0 HD2 LYS A 45 16.856 -15.201 -5.254 1.00 33.41 H new ATOM 0 HD3 LYS A 45 15.998 -13.697 -4.985 1.00 33.41 H new ATOM 0 HE2 LYS A 45 13.825 -14.950 -5.079 1.00 10.22 H new ATOM 0 HE3 LYS A 45 14.716 -16.446 -5.275 1.00 10.22 H new ATOM 0 HZ1 LYS A 45 14.137 -16.165 -2.986 1.00 33.34 H new ATOM 0 HZ2 LYS A 45 15.820 -15.984 -3.126 1.00 33.34 H new ATOM 0 HZ3 LYS A 45 14.832 -14.616 -2.931 1.00 33.34 H new ATOM 414 N SER A 46 19.651 -13.917 -7.860 1.00 63.24 N ATOM 415 CA SER A 46 21.108 -13.951 -7.886 1.00 25.31 C ATOM 416 C SER A 46 21.617 -15.386 -7.992 1.00 72.31 C ATOM 417 O SER A 46 22.438 -15.705 -8.852 1.00 53.14 O ATOM 418 CB SER A 46 21.678 -13.289 -6.630 1.00 52.22 C ATOM 419 OG SER A 46 21.454 -11.890 -6.647 1.00 1.42 O ATOM 0 H SER A 46 19.248 -13.798 -6.931 1.00 63.24 H new ATOM 0 HA SER A 46 21.443 -13.399 -8.764 1.00 25.31 H new ATOM 0 HB2 SER A 46 21.216 -13.724 -5.744 1.00 52.22 H new ATOM 0 HB3 SER A 46 22.747 -13.489 -6.563 1.00 52.22 H new ATOM 0 HG SER A 46 21.826 -11.489 -5.833 1.00 1.42 H new ATOM 425 N TYR A 47 21.122 -16.249 -7.111 1.00 5.43 N ATOM 426 CA TYR A 47 21.527 -17.649 -7.102 1.00 31.14 C ATOM 427 C TYR A 47 20.309 -18.569 -7.125 1.00 54.41 C ATOM 428 O TYR A 47 20.021 -19.261 -6.148 1.00 40.10 O ATOM 429 CB TYR A 47 22.380 -17.948 -5.869 1.00 1.22 C ATOM 430 CG TYR A 47 21.729 -17.538 -4.567 1.00 62.04 C ATOM 431 CD1 TYR A 47 21.630 -16.199 -4.208 1.00 74.13 C ATOM 432 CD2 TYR A 47 21.211 -18.490 -3.697 1.00 54.00 C ATOM 433 CE1 TYR A 47 21.035 -15.821 -3.020 1.00 3.43 C ATOM 434 CE2 TYR A 47 20.614 -18.120 -2.507 1.00 21.40 C ATOM 435 CZ TYR A 47 20.529 -16.785 -2.173 1.00 12.24 C ATOM 436 OH TYR A 47 19.936 -16.412 -0.988 1.00 54.33 O ATOM 0 H TYR A 47 20.440 -16.003 -6.394 1.00 5.43 H new ATOM 0 HA TYR A 47 22.118 -17.834 -7.999 1.00 31.14 H new ATOM 0 HB2 TYR A 47 22.595 -19.016 -5.837 1.00 1.22 H new ATOM 0 HB3 TYR A 47 23.336 -17.433 -5.965 1.00 1.22 H new ATOM 0 HD1 TYR A 47 22.025 -15.441 -4.869 1.00 74.13 H new ATOM 0 HD2 TYR A 47 21.276 -19.537 -3.955 1.00 54.00 H new ATOM 0 HE1 TYR A 47 20.966 -14.776 -2.756 1.00 3.43 H new ATOM 0 HE2 TYR A 47 20.216 -18.872 -1.842 1.00 21.40 H new ATOM 0 HH TYR A 47 19.632 -17.211 -0.509 1.00 54.33 H new ATOM 446 N CYS A 48 19.598 -18.569 -8.248 1.00 3.25 N ATOM 447 CA CYS A 48 18.411 -19.403 -8.401 1.00 1.45 C ATOM 448 C CYS A 48 18.328 -19.978 -9.811 1.00 2.11 C ATOM 449 O CYS A 48 17.901 -19.314 -10.755 1.00 52.12 O ATOM 450 CB CYS A 48 17.151 -18.592 -8.093 1.00 33.24 C ATOM 451 SG CYS A 48 17.031 -18.037 -6.376 1.00 60.34 S ATOM 0 H CYS A 48 19.823 -18.001 -9.065 1.00 3.25 H new ATOM 0 HA CYS A 48 18.484 -20.230 -7.695 1.00 1.45 H new ATOM 0 HB2 CYS A 48 17.123 -17.721 -8.748 1.00 33.24 H new ATOM 0 HB3 CYS A 48 16.276 -19.197 -8.330 1.00 33.24 H new ATOM 0 HG CYS A 48 18.054 -18.477 -5.705 1.00 60.34 H new ATOM 457 N PRO A 49 18.749 -21.242 -9.960 1.00 33.55 N ATOM 458 CA PRO A 49 18.734 -21.936 -11.251 1.00 72.01 C ATOM 459 C PRO A 49 17.318 -22.247 -11.725 1.00 24.12 C ATOM 460 O PRO A 49 16.358 -22.136 -10.962 1.00 31.45 O ATOM 461 CB PRO A 49 19.500 -23.231 -10.968 1.00 53.44 C ATOM 462 CG PRO A 49 19.330 -23.459 -9.506 1.00 70.11 C ATOM 463 CD PRO A 49 19.271 -22.094 -8.877 1.00 12.02 C ATOM 0 HA PRO A 49 19.173 -21.331 -12.044 1.00 72.01 H new ATOM 0 HB2 PRO A 49 19.100 -24.063 -11.548 1.00 53.44 H new ATOM 0 HB3 PRO A 49 20.553 -23.135 -11.234 1.00 53.44 H new ATOM 0 HG2 PRO A 49 18.419 -24.022 -9.302 1.00 70.11 H new ATOM 0 HG3 PRO A 49 20.160 -24.039 -9.103 1.00 70.11 H new ATOM 0 HD2 PRO A 49 18.617 -22.081 -8.005 1.00 12.02 H new ATOM 0 HD3 PRO A 49 20.254 -21.762 -8.543 1.00 12.02 H new ATOM 471 N HIS A 50 17.194 -22.637 -12.990 1.00 5.51 N ATOM 472 CA HIS A 50 15.895 -22.965 -13.565 1.00 21.51 C ATOM 473 C HIS A 50 15.164 -21.702 -14.012 1.00 74.30 C ATOM 474 O HIS A 50 14.677 -21.622 -15.139 1.00 3.20 O ATOM 475 CB HIS A 50 15.043 -23.730 -12.552 1.00 65.21 C ATOM 476 CG HIS A 50 14.096 -24.705 -13.180 1.00 51.03 C ATOM 477 ND1 HIS A 50 13.790 -25.927 -12.618 1.00 51.52 N ATOM 478 CD2 HIS A 50 13.385 -24.633 -14.330 1.00 20.12 C ATOM 479 CE1 HIS A 50 12.932 -26.563 -13.395 1.00 61.21 C ATOM 480 NE2 HIS A 50 12.670 -25.800 -14.440 1.00 11.12 N ATOM 0 H HIS A 50 17.978 -22.733 -13.636 1.00 5.51 H new ATOM 0 HA HIS A 50 16.061 -23.596 -14.438 1.00 21.51 H new ATOM 0 HB2 HIS A 50 15.701 -24.265 -11.867 1.00 65.21 H new ATOM 0 HB3 HIS A 50 14.474 -23.016 -11.956 1.00 65.21 H new ATOM 0 HD2 HIS A 50 13.381 -23.811 -15.030 1.00 20.12 H new ATOM 0 HE1 HIS A 50 12.515 -27.542 -13.207 1.00 61.21 H new ATOM 0 HE2 HIS A 50 12.039 -26.039 -15.205 1.00 11.12 H new ATOM 488 N SER A 51 15.090 -20.720 -13.119 1.00 63.31 N ATOM 489 CA SER A 51 14.414 -19.464 -13.419 1.00 41.33 C ATOM 490 C SER A 51 15.286 -18.576 -14.303 1.00 35.21 C ATOM 491 O SER A 51 14.782 -17.742 -15.056 1.00 40.32 O ATOM 492 CB SER A 51 14.064 -18.727 -12.126 1.00 11.14 C ATOM 493 OG SER A 51 14.127 -17.323 -12.305 1.00 64.11 O ATOM 0 H SER A 51 15.490 -20.770 -12.182 1.00 63.31 H new ATOM 0 HA SER A 51 13.495 -19.694 -13.958 1.00 41.33 H new ATOM 0 HB2 SER A 51 13.063 -19.011 -11.802 1.00 11.14 H new ATOM 0 HB3 SER A 51 14.752 -19.027 -11.335 1.00 11.14 H new ATOM 0 HG SER A 51 13.304 -17.011 -12.737 1.00 64.11 H new ATOM 499 N THR A 52 16.599 -18.762 -14.206 1.00 53.41 N ATOM 500 CA THR A 52 17.542 -17.978 -14.995 1.00 12.31 C ATOM 501 C THR A 52 17.734 -18.581 -16.381 1.00 12.01 C ATOM 502 O THR A 52 17.779 -17.863 -17.380 1.00 2.41 O ATOM 503 CB THR A 52 18.911 -17.879 -14.296 1.00 62.23 C ATOM 504 OG1 THR A 52 18.815 -17.030 -13.147 1.00 30.20 O ATOM 505 CG2 THR A 52 19.966 -17.335 -15.249 1.00 34.23 C ATOM 0 H THR A 52 17.033 -19.448 -13.589 1.00 53.41 H new ATOM 0 HA THR A 52 17.119 -16.978 -15.093 1.00 12.31 H new ATOM 0 HB THR A 52 19.208 -18.880 -13.983 1.00 62.23 H new ATOM 0 HG1 THR A 52 17.951 -16.567 -13.154 1.00 30.20 H new ATOM 0 HG21 THR A 52 20.925 -17.274 -14.734 1.00 34.23 H new ATOM 0 HG22 THR A 52 20.058 -18.000 -16.108 1.00 34.23 H new ATOM 0 HG23 THR A 52 19.672 -16.342 -15.588 1.00 34.23 H new ATOM 513 N ARG A 53 17.844 -19.904 -16.436 1.00 62.43 N ATOM 514 CA ARG A 53 18.031 -20.604 -17.701 1.00 71.45 C ATOM 515 C ARG A 53 16.994 -20.158 -18.728 1.00 43.02 C ATOM 516 O ARG A 53 17.316 -19.939 -19.896 1.00 52.03 O ATOM 517 CB ARG A 53 17.939 -22.117 -17.491 1.00 55.13 C ATOM 518 CG ARG A 53 17.080 -22.824 -18.528 1.00 1.24 C ATOM 519 CD ARG A 53 17.060 -24.327 -18.302 1.00 33.22 C ATOM 520 NE ARG A 53 17.353 -25.069 -19.525 1.00 0.10 N ATOM 521 CZ ARG A 53 17.075 -26.358 -19.688 1.00 41.40 C ATOM 522 NH1 ARG A 53 16.499 -27.044 -18.710 1.00 42.03 N ATOM 523 NH2 ARG A 53 17.373 -26.962 -20.831 1.00 73.34 N ATOM 0 H ARG A 53 17.807 -20.513 -15.619 1.00 62.43 H new ATOM 0 HA ARG A 53 19.023 -20.357 -18.080 1.00 71.45 H new ATOM 0 HB2 ARG A 53 18.943 -22.540 -17.513 1.00 55.13 H new ATOM 0 HB3 ARG A 53 17.532 -22.314 -16.499 1.00 55.13 H new ATOM 0 HG2 ARG A 53 16.063 -22.435 -18.486 1.00 1.24 H new ATOM 0 HG3 ARG A 53 17.462 -22.610 -19.526 1.00 1.24 H new ATOM 0 HD2 ARG A 53 17.790 -24.588 -17.536 1.00 33.22 H new ATOM 0 HD3 ARG A 53 16.082 -24.624 -17.924 1.00 33.22 H new ATOM 0 HE ARG A 53 17.796 -24.570 -20.297 1.00 0.10 H new ATOM 0 HH11 ARG A 53 16.268 -26.582 -17.830 1.00 42.03 H new ATOM 0 HH12 ARG A 53 16.287 -28.033 -18.838 1.00 42.03 H new ATOM 0 HH21 ARG A 53 17.816 -26.437 -21.585 1.00 73.34 H new ATOM 0 HH22 ARG A 53 17.159 -27.952 -20.956 1.00 73.34 H new ATOM 537 N VAL A 54 15.749 -20.024 -18.284 1.00 32.13 N ATOM 538 CA VAL A 54 14.665 -19.603 -19.163 1.00 74.20 C ATOM 539 C VAL A 54 15.039 -18.342 -19.932 1.00 42.24 C ATOM 540 O VAL A 54 14.519 -18.086 -21.019 1.00 0.35 O ATOM 541 CB VAL A 54 13.370 -19.343 -18.372 1.00 14.01 C ATOM 542 CG1 VAL A 54 13.467 -18.035 -17.602 1.00 22.42 C ATOM 543 CG2 VAL A 54 12.168 -19.333 -19.306 1.00 13.45 C ATOM 0 H VAL A 54 15.466 -20.201 -17.320 1.00 32.13 H new ATOM 0 HA VAL A 54 14.495 -20.417 -19.867 1.00 74.20 H new ATOM 0 HB VAL A 54 13.236 -20.151 -17.653 1.00 14.01 H new ATOM 0 HG11 VAL A 54 12.542 -17.869 -17.049 1.00 22.42 H new ATOM 0 HG12 VAL A 54 14.303 -18.085 -16.904 1.00 22.42 H new ATOM 0 HG13 VAL A 54 13.625 -17.213 -18.300 1.00 22.42 H new ATOM 0 HG21 VAL A 54 11.261 -19.148 -18.730 1.00 13.45 H new ATOM 0 HG22 VAL A 54 12.292 -18.546 -20.050 1.00 13.45 H new ATOM 0 HG23 VAL A 54 12.089 -20.298 -19.807 1.00 13.45 H new ATOM 553 N LYS A 55 15.947 -17.556 -19.364 1.00 11.44 N ATOM 554 CA LYS A 55 16.395 -16.320 -19.995 1.00 60.54 C ATOM 555 C LYS A 55 17.283 -16.616 -21.200 1.00 24.25 C ATOM 556 O LYS A 55 17.219 -15.924 -22.214 1.00 4.22 O ATOM 557 CB LYS A 55 17.153 -15.454 -18.988 1.00 21.31 C ATOM 558 CG LYS A 55 18.658 -15.658 -19.023 1.00 11.22 C ATOM 559 CD LYS A 55 19.351 -14.888 -17.911 1.00 14.11 C ATOM 560 CE LYS A 55 20.801 -15.317 -17.756 1.00 23.44 C ATOM 561 NZ LYS A 55 21.438 -14.702 -16.558 1.00 12.01 N ATOM 0 H LYS A 55 16.388 -17.753 -18.466 1.00 11.44 H new ATOM 0 HA LYS A 55 15.515 -15.777 -20.339 1.00 60.54 H new ATOM 0 HB2 LYS A 55 16.932 -14.405 -19.185 1.00 21.31 H new ATOM 0 HB3 LYS A 55 16.788 -15.674 -17.985 1.00 21.31 H new ATOM 0 HG2 LYS A 55 18.884 -16.720 -18.927 1.00 11.22 H new ATOM 0 HG3 LYS A 55 19.048 -15.335 -19.988 1.00 11.22 H new ATOM 0 HD2 LYS A 55 19.307 -13.820 -18.125 1.00 14.11 H new ATOM 0 HD3 LYS A 55 18.821 -15.047 -16.972 1.00 14.11 H new ATOM 0 HE2 LYS A 55 20.852 -16.403 -17.677 1.00 23.44 H new ATOM 0 HE3 LYS A 55 21.360 -15.036 -18.649 1.00 23.44 H new ATOM 0 HZ1 LYS A 55 22.231 -14.100 -16.857 1.00 12.01 H new ATOM 0 HZ2 LYS A 55 20.738 -14.125 -16.050 1.00 12.01 H new ATOM 0 HZ3 LYS A 55 21.790 -15.451 -15.929 1.00 12.01 H new ATOM 575 N GLU A 56 18.111 -17.650 -21.078 1.00 3.43 N ATOM 576 CA GLU A 56 19.013 -18.037 -22.157 1.00 53.42 C ATOM 577 C GLU A 56 18.231 -18.568 -23.356 1.00 14.33 C ATOM 578 O GLU A 56 18.749 -18.635 -24.470 1.00 42.43 O ATOM 579 CB GLU A 56 20.003 -19.097 -21.670 1.00 54.31 C ATOM 580 CG GLU A 56 21.369 -18.536 -21.317 1.00 23.41 C ATOM 581 CD GLU A 56 22.353 -18.630 -22.468 1.00 54.11 C ATOM 582 OE1 GLU A 56 22.475 -19.724 -23.057 1.00 32.53 O ATOM 583 OE2 GLU A 56 23.001 -17.608 -22.779 1.00 72.45 O ATOM 0 H GLU A 56 18.176 -18.234 -20.244 1.00 3.43 H new ATOM 0 HA GLU A 56 19.566 -17.151 -22.469 1.00 53.42 H new ATOM 0 HB2 GLU A 56 19.587 -19.596 -20.795 1.00 54.31 H new ATOM 0 HB3 GLU A 56 20.120 -19.856 -22.444 1.00 54.31 H new ATOM 0 HG2 GLU A 56 21.263 -17.493 -21.018 1.00 23.41 H new ATOM 0 HG3 GLU A 56 21.768 -19.075 -20.458 1.00 23.41 H new ATOM 590 N LEU A 57 16.979 -18.945 -23.117 1.00 32.03 N ATOM 591 CA LEU A 57 16.124 -19.471 -24.176 1.00 14.14 C ATOM 592 C LEU A 57 15.654 -18.354 -25.101 1.00 54.55 C ATOM 593 O LEU A 57 15.819 -18.431 -26.319 1.00 2.44 O ATOM 594 CB LEU A 57 14.917 -20.191 -23.572 1.00 12.12 C ATOM 595 CG LEU A 57 13.679 -20.289 -24.464 1.00 23.50 C ATOM 596 CD1 LEU A 57 14.043 -20.878 -25.819 1.00 2.23 C ATOM 597 CD2 LEU A 57 12.601 -21.127 -23.790 1.00 54.43 C ATOM 0 H LEU A 57 16.534 -18.896 -22.200 1.00 32.03 H new ATOM 0 HA LEU A 57 16.707 -20.181 -24.762 1.00 14.14 H new ATOM 0 HB2 LEU A 57 15.222 -21.200 -23.296 1.00 12.12 H new ATOM 0 HB3 LEU A 57 14.637 -19.679 -22.651 1.00 12.12 H new ATOM 0 HG LEU A 57 13.287 -19.284 -24.620 1.00 23.50 H new ATOM 0 HD11 LEU A 57 13.150 -20.940 -26.440 1.00 2.23 H new ATOM 0 HD12 LEU A 57 14.781 -20.241 -26.307 1.00 2.23 H new ATOM 0 HD13 LEU A 57 14.460 -21.876 -25.682 1.00 2.23 H new ATOM 0 HD21 LEU A 57 11.727 -21.186 -24.439 1.00 54.43 H new ATOM 0 HD22 LEU A 57 12.983 -22.131 -23.604 1.00 54.43 H new ATOM 0 HD23 LEU A 57 12.320 -20.665 -22.844 1.00 54.43 H new ATOM 609 N PHE A 58 15.067 -17.314 -24.516 1.00 21.42 N ATOM 610 CA PHE A 58 14.573 -16.180 -25.288 1.00 62.01 C ATOM 611 C PHE A 58 15.643 -15.670 -26.249 1.00 24.41 C ATOM 612 O PHE A 58 15.370 -15.422 -27.423 1.00 74.24 O ATOM 613 CB PHE A 58 14.133 -15.052 -24.352 1.00 2.11 C ATOM 614 CG PHE A 58 12.708 -15.177 -23.893 1.00 45.41 C ATOM 615 CD1 PHE A 58 11.696 -15.453 -24.798 1.00 40.01 C ATOM 616 CD2 PHE A 58 12.381 -15.017 -22.556 1.00 73.10 C ATOM 617 CE1 PHE A 58 10.384 -15.567 -24.379 1.00 2.33 C ATOM 618 CE2 PHE A 58 11.071 -15.130 -22.131 1.00 34.14 C ATOM 619 CZ PHE A 58 10.072 -15.406 -23.043 1.00 32.33 C ATOM 0 H PHE A 58 14.922 -17.234 -23.510 1.00 21.42 H new ATOM 0 HA PHE A 58 13.715 -16.515 -25.871 1.00 62.01 H new ATOM 0 HB2 PHE A 58 14.787 -15.038 -23.480 1.00 2.11 H new ATOM 0 HB3 PHE A 58 14.260 -14.097 -24.862 1.00 2.11 H new ATOM 0 HD1 PHE A 58 11.935 -15.581 -25.843 1.00 40.01 H new ATOM 0 HD2 PHE A 58 13.159 -14.802 -21.838 1.00 73.10 H new ATOM 0 HE1 PHE A 58 9.604 -15.782 -25.095 1.00 2.33 H new ATOM 0 HE2 PHE A 58 10.829 -15.003 -21.086 1.00 34.14 H new ATOM 0 HZ PHE A 58 9.048 -15.496 -22.712 1.00 32.33 H new ATOM 629 N SER A 59 16.861 -15.516 -25.742 1.00 4.13 N ATOM 630 CA SER A 59 17.972 -15.031 -26.552 1.00 63.43 C ATOM 631 C SER A 59 18.128 -15.870 -27.817 1.00 24.23 C ATOM 632 O SER A 59 18.274 -15.336 -28.916 1.00 61.24 O ATOM 633 CB SER A 59 19.271 -15.058 -25.746 1.00 22.03 C ATOM 634 OG SER A 59 20.283 -14.297 -26.382 1.00 22.44 O ATOM 0 H SER A 59 17.104 -15.720 -24.773 1.00 4.13 H new ATOM 0 HA SER A 59 17.755 -14.003 -26.842 1.00 63.43 H new ATOM 0 HB2 SER A 59 19.090 -14.664 -24.746 1.00 22.03 H new ATOM 0 HB3 SER A 59 19.607 -16.088 -25.627 1.00 22.03 H new ATOM 0 HG SER A 59 21.103 -14.329 -25.846 1.00 22.44 H new ATOM 640 N SER A 60 18.096 -17.189 -27.651 1.00 44.45 N ATOM 641 CA SER A 60 18.238 -18.104 -28.778 1.00 24.23 C ATOM 642 C SER A 60 16.952 -18.159 -29.598 1.00 64.43 C ATOM 643 O SER A 60 16.905 -18.784 -30.659 1.00 30.40 O ATOM 644 CB SER A 60 18.601 -19.505 -28.282 1.00 70.20 C ATOM 645 OG SER A 60 19.781 -19.479 -27.499 1.00 32.51 O ATOM 0 H SER A 60 17.973 -17.647 -26.748 1.00 44.45 H new ATOM 0 HA SER A 60 19.040 -17.734 -29.417 1.00 24.23 H new ATOM 0 HB2 SER A 60 17.778 -19.910 -27.692 1.00 70.20 H new ATOM 0 HB3 SER A 60 18.741 -20.171 -29.134 1.00 70.20 H new ATOM 0 HG SER A 60 19.557 -19.232 -26.577 1.00 32.51 H new ATOM 651 N LEU A 61 15.912 -17.502 -29.099 1.00 53.25 N ATOM 652 CA LEU A 61 14.624 -17.475 -29.785 1.00 22.14 C ATOM 653 C LEU A 61 14.531 -16.277 -30.722 1.00 54.44 C ATOM 654 O LEU A 61 13.455 -15.944 -31.219 1.00 33.44 O ATOM 655 CB LEU A 61 13.483 -17.430 -28.766 1.00 1.44 C ATOM 656 CG LEU A 61 12.276 -18.318 -29.070 1.00 21.14 C ATOM 657 CD1 LEU A 61 11.900 -18.223 -30.541 1.00 12.15 C ATOM 658 CD2 LEU A 61 12.566 -19.761 -28.684 1.00 62.22 C ATOM 0 H LEU A 61 15.934 -16.981 -28.222 1.00 53.25 H new ATOM 0 HA LEU A 61 14.537 -18.385 -30.379 1.00 22.14 H new ATOM 0 HB2 LEU A 61 13.881 -17.714 -27.792 1.00 1.44 H new ATOM 0 HB3 LEU A 61 13.138 -16.399 -28.682 1.00 1.44 H new ATOM 0 HG LEU A 61 11.432 -17.966 -28.477 1.00 21.14 H new ATOM 0 HD11 LEU A 61 11.039 -18.862 -30.738 1.00 12.15 H new ATOM 0 HD12 LEU A 61 11.650 -17.191 -30.787 1.00 12.15 H new ATOM 0 HD13 LEU A 61 12.741 -18.548 -31.153 1.00 12.15 H new ATOM 0 HD21 LEU A 61 11.696 -20.379 -28.907 1.00 62.22 H new ATOM 0 HD22 LEU A 61 13.424 -20.124 -29.250 1.00 62.22 H new ATOM 0 HD23 LEU A 61 12.786 -19.815 -27.618 1.00 62.22 H new ATOM 670 N GLY A 62 15.668 -15.630 -30.963 1.00 75.44 N ATOM 671 CA GLY A 62 15.694 -14.477 -31.844 1.00 32.13 C ATOM 672 C GLY A 62 14.890 -13.314 -31.298 1.00 1.40 C ATOM 673 O GLY A 62 14.643 -12.335 -32.002 1.00 71.15 O ATOM 0 H GLY A 62 16.571 -15.884 -30.564 1.00 75.44 H new ATOM 0 HA2 GLY A 62 16.726 -14.162 -31.995 1.00 32.13 H new ATOM 0 HA3 GLY A 62 15.301 -14.760 -32.820 1.00 32.13 H new ATOM 677 N VAL A 63 14.479 -13.419 -30.038 1.00 4.13 N ATOM 678 CA VAL A 63 13.698 -12.367 -29.397 1.00 62.32 C ATOM 679 C VAL A 63 14.491 -11.696 -28.282 1.00 3.13 C ATOM 680 O VAL A 63 15.338 -12.321 -27.645 1.00 21.14 O ATOM 681 CB VAL A 63 12.383 -12.920 -28.817 1.00 11.21 C ATOM 682 CG1 VAL A 63 12.610 -13.483 -27.422 1.00 15.33 C ATOM 683 CG2 VAL A 63 11.314 -11.838 -28.796 1.00 40.34 C ATOM 0 H VAL A 63 14.674 -14.222 -29.441 1.00 4.13 H new ATOM 0 HA VAL A 63 13.466 -11.631 -30.166 1.00 62.32 H new ATOM 0 HB VAL A 63 12.035 -13.730 -29.458 1.00 11.21 H new ATOM 0 HG11 VAL A 63 11.670 -13.869 -27.028 1.00 15.33 H new ATOM 0 HG12 VAL A 63 13.342 -14.289 -27.470 1.00 15.33 H new ATOM 0 HG13 VAL A 63 12.981 -12.694 -26.767 1.00 15.33 H new ATOM 0 HG21 VAL A 63 10.391 -12.246 -28.383 1.00 40.34 H new ATOM 0 HG22 VAL A 63 11.651 -11.006 -28.178 1.00 40.34 H new ATOM 0 HG23 VAL A 63 11.133 -11.486 -29.812 1.00 40.34 H new ATOM 693 N VAL A 64 14.210 -10.418 -28.050 1.00 34.03 N ATOM 694 CA VAL A 64 14.895 -9.660 -27.010 1.00 22.31 C ATOM 695 C VAL A 64 14.062 -9.601 -25.734 1.00 44.34 C ATOM 696 O VAL A 64 12.832 -9.600 -25.783 1.00 2.01 O ATOM 697 CB VAL A 64 15.206 -8.225 -27.473 1.00 51.01 C ATOM 698 CG1 VAL A 64 13.936 -7.522 -27.928 1.00 70.42 C ATOM 699 CG2 VAL A 64 15.888 -7.442 -26.362 1.00 4.13 C ATOM 0 H VAL A 64 13.512 -9.885 -28.569 1.00 34.03 H new ATOM 0 HA VAL A 64 15.832 -10.179 -26.806 1.00 22.31 H new ATOM 0 HB VAL A 64 15.888 -8.277 -28.322 1.00 51.01 H new ATOM 0 HG11 VAL A 64 14.177 -6.509 -28.251 1.00 70.42 H new ATOM 0 HG12 VAL A 64 13.493 -8.072 -28.758 1.00 70.42 H new ATOM 0 HG13 VAL A 64 13.227 -7.480 -27.101 1.00 70.42 H new ATOM 0 HG21 VAL A 64 16.100 -6.430 -26.707 1.00 4.13 H new ATOM 0 HG22 VAL A 64 15.232 -7.399 -25.492 1.00 4.13 H new ATOM 0 HG23 VAL A 64 16.821 -7.935 -26.089 1.00 4.13 H new ATOM 709 N TYR A 65 14.742 -9.552 -24.593 1.00 13.21 N ATOM 710 CA TYR A 65 14.065 -9.495 -23.303 1.00 35.30 C ATOM 711 C TYR A 65 14.889 -8.705 -22.290 1.00 13.12 C ATOM 712 O TYR A 65 16.075 -8.458 -22.497 1.00 22.25 O ATOM 713 CB TYR A 65 13.805 -10.907 -22.777 1.00 3.13 C ATOM 714 CG TYR A 65 15.068 -11.675 -22.457 1.00 73.40 C ATOM 715 CD1 TYR A 65 15.707 -12.434 -23.431 1.00 5.34 C ATOM 716 CD2 TYR A 65 15.621 -11.645 -21.183 1.00 15.42 C ATOM 717 CE1 TYR A 65 16.861 -13.137 -23.143 1.00 63.34 C ATOM 718 CE2 TYR A 65 16.775 -12.344 -20.887 1.00 53.30 C ATOM 719 CZ TYR A 65 17.391 -13.089 -21.870 1.00 23.20 C ATOM 720 OH TYR A 65 18.539 -13.789 -21.580 1.00 24.11 O ATOM 0 H TYR A 65 15.760 -9.551 -24.536 1.00 13.21 H new ATOM 0 HA TYR A 65 13.111 -8.986 -23.444 1.00 35.30 H new ATOM 0 HB2 TYR A 65 13.191 -10.844 -21.879 1.00 3.13 H new ATOM 0 HB3 TYR A 65 13.230 -11.462 -23.518 1.00 3.13 H new ATOM 0 HD1 TYR A 65 15.295 -12.475 -24.428 1.00 5.34 H new ATOM 0 HD2 TYR A 65 15.140 -11.064 -20.410 1.00 15.42 H new ATOM 0 HE1 TYR A 65 17.346 -13.721 -23.911 1.00 63.34 H new ATOM 0 HE2 TYR A 65 17.192 -12.307 -19.892 1.00 53.30 H new ATOM 0 HH TYR A 65 18.526 -14.648 -22.052 1.00 24.11 H new ATOM 730 N ASN A 66 14.248 -8.312 -21.194 1.00 52.04 N ATOM 731 CA ASN A 66 14.920 -7.551 -20.147 1.00 42.25 C ATOM 732 C ASN A 66 15.344 -8.461 -18.999 1.00 41.01 C ATOM 733 O ASN A 66 14.745 -9.513 -18.774 1.00 21.21 O ATOM 734 CB ASN A 66 14.002 -6.445 -19.624 1.00 13.45 C ATOM 735 CG ASN A 66 14.774 -5.226 -19.157 1.00 1.02 C ATOM 736 OD1 ASN A 66 15.478 -5.273 -18.148 1.00 50.40 O ATOM 737 ND2 ASN A 66 14.645 -4.126 -19.890 1.00 54.24 N ATOM 0 H ASN A 66 13.264 -8.508 -21.008 1.00 52.04 H new ATOM 0 HA ASN A 66 15.814 -7.100 -20.577 1.00 42.25 H new ATOM 0 HB2 ASN A 66 13.306 -6.152 -20.410 1.00 13.45 H new ATOM 0 HB3 ASN A 66 13.405 -6.832 -18.798 1.00 13.45 H new ATOM 0 HD21 ASN A 66 15.140 -3.275 -19.624 1.00 54.24 H new ATOM 0 HD22 ASN A 66 14.051 -4.132 -20.719 1.00 54.24 H new ATOM 744 N ILE A 67 16.380 -8.049 -18.276 1.00 70.23 N ATOM 745 CA ILE A 67 16.884 -8.826 -17.151 1.00 71.01 C ATOM 746 C ILE A 67 16.517 -8.172 -15.823 1.00 53.15 C ATOM 747 O ILE A 67 16.933 -7.048 -15.537 1.00 52.13 O ATOM 748 CB ILE A 67 18.412 -8.996 -17.223 1.00 4.13 C ATOM 749 CG1 ILE A 67 18.822 -9.567 -18.581 1.00 72.42 C ATOM 750 CG2 ILE A 67 18.900 -9.894 -16.096 1.00 35.22 C ATOM 751 CD1 ILE A 67 19.639 -8.608 -19.419 1.00 60.40 C ATOM 0 H ILE A 67 16.887 -7.181 -18.450 1.00 70.23 H new ATOM 0 HA ILE A 67 16.415 -9.808 -17.211 1.00 71.01 H new ATOM 0 HB ILE A 67 18.876 -8.016 -17.108 1.00 4.13 H new ATOM 0 HG12 ILE A 67 19.397 -10.480 -18.424 1.00 72.42 H new ATOM 0 HG13 ILE A 67 17.925 -9.847 -19.134 1.00 72.42 H new ATOM 0 HG21 ILE A 67 19.982 -10.004 -16.161 1.00 35.22 H new ATOM 0 HG22 ILE A 67 18.638 -9.449 -15.136 1.00 35.22 H new ATOM 0 HG23 ILE A 67 18.430 -10.874 -16.182 1.00 35.22 H new ATOM 0 HD11 ILE A 67 19.894 -9.080 -20.368 1.00 60.40 H new ATOM 0 HD12 ILE A 67 19.059 -7.705 -19.608 1.00 60.40 H new ATOM 0 HD13 ILE A 67 20.553 -8.347 -18.886 1.00 60.40 H new ATOM 763 N LEU A 68 15.738 -8.882 -15.015 1.00 21.10 N ATOM 764 CA LEU A 68 15.316 -8.372 -13.715 1.00 44.54 C ATOM 765 C LEU A 68 15.608 -9.383 -12.612 1.00 21.44 C ATOM 766 O LEU A 68 15.245 -10.554 -12.721 1.00 20.44 O ATOM 767 CB LEU A 68 13.824 -8.037 -13.736 1.00 11.13 C ATOM 768 CG LEU A 68 13.239 -7.659 -15.098 1.00 22.21 C ATOM 769 CD1 LEU A 68 11.721 -7.619 -15.034 1.00 33.42 C ATOM 770 CD2 LEU A 68 13.791 -6.318 -15.560 1.00 11.11 C ATOM 0 H LEU A 68 15.385 -9.813 -15.237 1.00 21.10 H new ATOM 0 HA LEU A 68 15.882 -7.464 -13.508 1.00 44.54 H new ATOM 0 HB2 LEU A 68 13.274 -8.896 -13.353 1.00 11.13 H new ATOM 0 HB3 LEU A 68 13.648 -7.212 -13.046 1.00 11.13 H new ATOM 0 HG LEU A 68 13.531 -8.419 -15.822 1.00 22.21 H new ATOM 0 HD11 LEU A 68 11.323 -7.348 -16.012 1.00 33.42 H new ATOM 0 HD12 LEU A 68 11.343 -8.600 -14.747 1.00 33.42 H new ATOM 0 HD13 LEU A 68 11.407 -6.880 -14.297 1.00 33.42 H new ATOM 0 HD21 LEU A 68 13.365 -6.064 -16.530 1.00 11.11 H new ATOM 0 HD22 LEU A 68 13.528 -5.547 -14.835 1.00 11.11 H new ATOM 0 HD23 LEU A 68 14.876 -6.381 -15.646 1.00 11.11 H new ATOM 782 N GLU A 69 16.262 -8.923 -11.550 1.00 53.12 N ATOM 783 CA GLU A 69 16.599 -9.789 -10.427 1.00 5.23 C ATOM 784 C GLU A 69 15.855 -9.358 -9.166 1.00 24.43 C ATOM 785 O GLU A 69 16.113 -8.288 -8.613 1.00 61.00 O ATOM 786 CB GLU A 69 18.109 -9.768 -10.174 1.00 15.22 C ATOM 787 CG GLU A 69 18.940 -9.887 -11.441 1.00 35.25 C ATOM 788 CD GLU A 69 20.143 -10.795 -11.265 1.00 55.53 C ATOM 789 OE1 GLU A 69 20.941 -10.548 -10.337 1.00 34.44 O ATOM 790 OE2 GLU A 69 20.286 -11.750 -12.056 1.00 1.30 O ATOM 0 H GLU A 69 16.569 -7.956 -11.444 1.00 53.12 H new ATOM 0 HA GLU A 69 16.294 -10.805 -10.679 1.00 5.23 H new ATOM 0 HB2 GLU A 69 18.371 -8.841 -9.664 1.00 15.22 H new ATOM 0 HB3 GLU A 69 18.368 -10.586 -9.502 1.00 15.22 H new ATOM 0 HG2 GLU A 69 18.314 -10.271 -12.247 1.00 35.25 H new ATOM 0 HG3 GLU A 69 19.278 -8.896 -11.744 1.00 35.25 H new ATOM 797 N LEU A 70 14.931 -10.200 -8.716 1.00 61.02 N ATOM 798 CA LEU A 70 14.148 -9.909 -7.521 1.00 13.32 C ATOM 799 C LEU A 70 14.984 -10.108 -6.261 1.00 35.24 C ATOM 800 O LEU A 70 14.542 -9.794 -5.154 1.00 43.14 O ATOM 801 CB LEU A 70 12.906 -10.801 -7.470 1.00 22.31 C ATOM 802 CG LEU A 70 11.881 -10.589 -8.585 1.00 23.32 C ATOM 803 CD1 LEU A 70 10.652 -11.453 -8.350 1.00 73.45 C ATOM 804 CD2 LEU A 70 11.494 -9.121 -8.681 1.00 2.11 C ATOM 0 H LEU A 70 14.706 -11.090 -9.161 1.00 61.02 H new ATOM 0 HA LEU A 70 13.836 -8.866 -7.567 1.00 13.32 H new ATOM 0 HB2 LEU A 70 13.229 -11.842 -7.494 1.00 22.31 H new ATOM 0 HB3 LEU A 70 12.409 -10.644 -6.513 1.00 22.31 H new ATOM 0 HG LEU A 70 12.333 -10.887 -9.531 1.00 23.32 H new ATOM 0 HD11 LEU A 70 9.933 -11.289 -9.153 1.00 73.45 H new ATOM 0 HD12 LEU A 70 10.943 -12.503 -8.332 1.00 73.45 H new ATOM 0 HD13 LEU A 70 10.197 -11.187 -7.396 1.00 73.45 H new ATOM 0 HD21 LEU A 70 10.764 -8.989 -9.480 1.00 2.11 H new ATOM 0 HD22 LEU A 70 11.060 -8.797 -7.735 1.00 2.11 H new ATOM 0 HD23 LEU A 70 12.380 -8.524 -8.897 1.00 2.11 H new ATOM 816 N ASP A 71 16.193 -10.630 -6.435 1.00 34.11 N ATOM 817 CA ASP A 71 17.092 -10.868 -5.312 1.00 11.31 C ATOM 818 C ASP A 71 17.938 -9.632 -5.022 1.00 62.40 C ATOM 819 O ASP A 71 18.541 -9.519 -3.955 1.00 4.21 O ATOM 820 CB ASP A 71 17.998 -12.065 -5.603 1.00 24.42 C ATOM 821 CG ASP A 71 18.332 -12.855 -4.352 1.00 62.43 C ATOM 822 OD1 ASP A 71 17.487 -12.897 -3.433 1.00 73.44 O ATOM 823 OD2 ASP A 71 19.437 -13.433 -4.293 1.00 42.24 O ATOM 0 H ASP A 71 16.573 -10.896 -7.343 1.00 34.11 H new ATOM 0 HA ASP A 71 16.486 -11.086 -4.432 1.00 11.31 H new ATOM 0 HB2 ASP A 71 17.509 -12.721 -6.324 1.00 24.42 H new ATOM 0 HB3 ASP A 71 18.921 -11.715 -6.065 1.00 24.42 H new ATOM 828 N GLN A 72 17.977 -8.710 -5.978 1.00 22.23 N ATOM 829 CA GLN A 72 18.751 -7.483 -5.825 1.00 22.40 C ATOM 830 C GLN A 72 17.832 -6.273 -5.705 1.00 1.33 C ATOM 831 O GLN A 72 18.289 -5.156 -5.453 1.00 74.42 O ATOM 832 CB GLN A 72 19.701 -7.303 -7.010 1.00 74.22 C ATOM 833 CG GLN A 72 20.759 -8.390 -7.113 1.00 12.14 C ATOM 834 CD GLN A 72 22.080 -7.869 -7.642 1.00 4.23 C ATOM 835 OE1 GLN A 72 23.124 -8.030 -7.006 1.00 74.22 O ATOM 836 NE2 GLN A 72 22.045 -7.239 -8.810 1.00 60.31 N ATOM 0 H GLN A 72 17.482 -8.789 -6.866 1.00 22.23 H new ATOM 0 HA GLN A 72 19.337 -7.564 -4.909 1.00 22.40 H new ATOM 0 HB2 GLN A 72 19.119 -7.285 -7.932 1.00 74.22 H new ATOM 0 HB3 GLN A 72 20.194 -6.335 -6.926 1.00 74.22 H new ATOM 0 HG2 GLN A 72 20.915 -8.834 -6.130 1.00 12.14 H new ATOM 0 HG3 GLN A 72 20.397 -9.183 -7.767 1.00 12.14 H new ATOM 0 HE21 GLN A 72 21.159 -7.128 -9.303 1.00 60.31 H new ATOM 0 HE22 GLN A 72 22.904 -6.866 -9.214 1.00 60.31 H new ATOM 845 N VAL A 73 16.535 -6.499 -5.887 1.00 11.11 N ATOM 846 CA VAL A 73 15.552 -5.425 -5.798 1.00 73.55 C ATOM 847 C VAL A 73 15.271 -5.056 -4.347 1.00 64.31 C ATOM 848 O VAL A 73 15.169 -5.926 -3.483 1.00 14.03 O ATOM 849 CB VAL A 73 14.229 -5.820 -6.482 1.00 12.13 C ATOM 850 CG1 VAL A 73 13.163 -4.764 -6.230 1.00 42.24 C ATOM 851 CG2 VAL A 73 14.442 -6.030 -7.973 1.00 54.03 C ATOM 0 H VAL A 73 16.140 -7.416 -6.097 1.00 11.11 H new ATOM 0 HA VAL A 73 15.976 -4.563 -6.312 1.00 73.55 H new ATOM 0 HB VAL A 73 13.884 -6.761 -6.053 1.00 12.13 H new ATOM 0 HG11 VAL A 73 12.235 -5.059 -6.720 1.00 42.24 H new ATOM 0 HG12 VAL A 73 12.992 -4.668 -5.158 1.00 42.24 H new ATOM 0 HG13 VAL A 73 13.497 -3.807 -6.631 1.00 42.24 H new ATOM 0 HG21 VAL A 73 13.497 -6.308 -8.440 1.00 54.03 H new ATOM 0 HG22 VAL A 73 14.810 -5.107 -8.421 1.00 54.03 H new ATOM 0 HG23 VAL A 73 15.171 -6.825 -8.128 1.00 54.03 H new ATOM 861 N ASP A 74 15.148 -3.759 -4.086 1.00 70.40 N ATOM 862 CA ASP A 74 14.877 -3.273 -2.737 1.00 52.43 C ATOM 863 C ASP A 74 13.662 -3.976 -2.141 1.00 21.21 C ATOM 864 O ASP A 74 13.655 -4.331 -0.961 1.00 51.34 O ATOM 865 CB ASP A 74 14.650 -1.760 -2.755 1.00 31.14 C ATOM 866 CG ASP A 74 15.947 -0.982 -2.850 1.00 2.30 C ATOM 867 OD1 ASP A 74 16.580 -1.013 -3.926 1.00 23.11 O ATOM 868 OD2 ASP A 74 16.328 -0.340 -1.849 1.00 44.32 O ATOM 0 H ASP A 74 15.231 -3.026 -4.790 1.00 70.40 H new ATOM 0 HA ASP A 74 15.744 -3.495 -2.115 1.00 52.43 H new ATOM 0 HB2 ASP A 74 14.012 -1.501 -3.600 1.00 31.14 H new ATOM 0 HB3 ASP A 74 14.118 -1.464 -1.851 1.00 31.14 H new ATOM 873 N ASP A 75 12.635 -4.172 -2.962 1.00 4.13 N ATOM 874 CA ASP A 75 11.415 -4.833 -2.515 1.00 2.42 C ATOM 875 C ASP A 75 11.459 -6.325 -2.824 1.00 71.35 C ATOM 876 O ASP A 75 10.425 -6.958 -3.034 1.00 54.42 O ATOM 877 CB ASP A 75 10.194 -4.197 -3.180 1.00 55.31 C ATOM 878 CG ASP A 75 10.350 -2.701 -3.368 1.00 52.15 C ATOM 879 OD1 ASP A 75 10.873 -2.039 -2.448 1.00 52.35 O ATOM 880 OD2 ASP A 75 9.947 -2.192 -4.436 1.00 42.10 O ATOM 0 H ASP A 75 12.624 -3.882 -3.940 1.00 4.13 H new ATOM 0 HA ASP A 75 11.338 -4.708 -1.435 1.00 2.42 H new ATOM 0 HB2 ASP A 75 10.026 -4.666 -4.149 1.00 55.31 H new ATOM 0 HB3 ASP A 75 9.310 -4.394 -2.573 1.00 55.31 H new ATOM 885 N GLY A 76 12.666 -6.883 -2.854 1.00 24.42 N ATOM 886 CA GLY A 76 12.823 -8.297 -3.140 1.00 43.13 C ATOM 887 C GLY A 76 11.934 -9.166 -2.274 1.00 23.43 C ATOM 888 O GLY A 76 11.644 -10.311 -2.623 1.00 24.20 O ATOM 0 H GLY A 76 13.538 -6.381 -2.685 1.00 24.42 H new ATOM 0 HA2 GLY A 76 12.593 -8.480 -4.190 1.00 43.13 H new ATOM 0 HA3 GLY A 76 13.864 -8.582 -2.987 1.00 43.13 H new ATOM 892 N ALA A 77 11.502 -8.625 -1.141 1.00 3.44 N ATOM 893 CA ALA A 77 10.641 -9.359 -0.221 1.00 45.55 C ATOM 894 C ALA A 77 9.212 -9.432 -0.749 1.00 72.12 C ATOM 895 O ALA A 77 8.665 -10.518 -0.938 1.00 31.24 O ATOM 896 CB ALA A 77 10.666 -8.712 1.155 1.00 13.55 C ATOM 0 H ALA A 77 11.734 -7.679 -0.837 1.00 3.44 H new ATOM 0 HA ALA A 77 11.022 -10.377 -0.138 1.00 45.55 H new ATOM 0 HB1 ALA A 77 10.019 -9.270 1.831 1.00 13.55 H new ATOM 0 HB2 ALA A 77 11.685 -8.717 1.541 1.00 13.55 H new ATOM 0 HB3 ALA A 77 10.312 -7.684 1.080 1.00 13.55 H new ATOM 902 N SER A 78 8.612 -8.269 -0.983 1.00 13.11 N ATOM 903 CA SER A 78 7.245 -8.202 -1.484 1.00 74.33 C ATOM 904 C SER A 78 7.197 -8.513 -2.977 1.00 21.03 C ATOM 905 O SER A 78 6.392 -9.329 -3.427 1.00 62.45 O ATOM 906 CB SER A 78 6.650 -6.817 -1.222 1.00 1.32 C ATOM 907 OG SER A 78 6.467 -6.595 0.166 1.00 70.32 O ATOM 0 H SER A 78 9.051 -7.361 -0.834 1.00 13.11 H new ATOM 0 HA SER A 78 6.654 -8.950 -0.955 1.00 74.33 H new ATOM 0 HB2 SER A 78 7.308 -6.051 -1.632 1.00 1.32 H new ATOM 0 HB3 SER A 78 5.694 -6.725 -1.737 1.00 1.32 H new ATOM 0 HG SER A 78 6.087 -5.703 0.307 1.00 70.32 H new ATOM 913 N VAL A 79 8.065 -7.857 -3.740 1.00 3.03 N ATOM 914 CA VAL A 79 8.124 -8.063 -5.182 1.00 24.41 C ATOM 915 C VAL A 79 8.155 -9.549 -5.524 1.00 0.51 C ATOM 916 O VAL A 79 7.525 -9.987 -6.485 1.00 14.41 O ATOM 917 CB VAL A 79 9.360 -7.379 -5.796 1.00 72.55 C ATOM 918 CG1 VAL A 79 10.594 -8.252 -5.622 1.00 11.23 C ATOM 919 CG2 VAL A 79 9.120 -7.069 -7.267 1.00 4.24 C ATOM 0 H VAL A 79 8.737 -7.178 -3.383 1.00 3.03 H new ATOM 0 HA VAL A 79 7.224 -7.615 -5.603 1.00 24.41 H new ATOM 0 HB VAL A 79 9.532 -6.439 -5.272 1.00 72.55 H new ATOM 0 HG11 VAL A 79 11.458 -7.753 -6.062 1.00 11.23 H new ATOM 0 HG12 VAL A 79 10.774 -8.420 -4.560 1.00 11.23 H new ATOM 0 HG13 VAL A 79 10.436 -9.209 -6.119 1.00 11.23 H new ATOM 0 HG21 VAL A 79 10.003 -6.586 -7.686 1.00 4.24 H new ATOM 0 HG22 VAL A 79 8.923 -7.995 -7.807 1.00 4.24 H new ATOM 0 HG23 VAL A 79 8.262 -6.403 -7.363 1.00 4.24 H new ATOM 929 N GLN A 80 8.894 -10.318 -4.731 1.00 4.53 N ATOM 930 CA GLN A 80 9.008 -11.755 -4.949 1.00 54.54 C ATOM 931 C GLN A 80 7.887 -12.503 -4.237 1.00 71.54 C ATOM 932 O GLN A 80 7.550 -13.630 -4.603 1.00 3.31 O ATOM 933 CB GLN A 80 10.366 -12.260 -4.461 1.00 45.22 C ATOM 934 CG GLN A 80 10.903 -13.435 -5.265 1.00 13.42 C ATOM 935 CD GLN A 80 11.460 -14.536 -4.386 1.00 12.12 C ATOM 936 OE1 GLN A 80 11.188 -15.717 -4.603 1.00 60.34 O ATOM 937 NE2 GLN A 80 12.245 -14.156 -3.385 1.00 5.15 N ATOM 0 H GLN A 80 9.423 -9.970 -3.931 1.00 4.53 H new ATOM 0 HA GLN A 80 8.923 -11.943 -6.019 1.00 54.54 H new ATOM 0 HB2 GLN A 80 11.085 -11.442 -4.504 1.00 45.22 H new ATOM 0 HB3 GLN A 80 10.280 -12.555 -3.415 1.00 45.22 H new ATOM 0 HG2 GLN A 80 10.105 -13.840 -5.887 1.00 13.42 H new ATOM 0 HG3 GLN A 80 11.684 -13.083 -5.939 1.00 13.42 H new ATOM 0 HE21 GLN A 80 12.445 -13.166 -3.241 1.00 5.15 H new ATOM 0 HE22 GLN A 80 12.648 -14.854 -2.760 1.00 5.15 H new ATOM 946 N GLU A 81 7.313 -11.871 -3.218 1.00 61.24 N ATOM 947 CA GLU A 81 6.231 -12.481 -2.453 1.00 41.44 C ATOM 948 C GLU A 81 4.991 -12.671 -3.323 1.00 12.41 C ATOM 949 O GLU A 81 4.346 -13.719 -3.283 1.00 13.04 O ATOM 950 CB GLU A 81 5.886 -11.618 -1.239 1.00 1.14 C ATOM 951 CG GLU A 81 4.630 -12.064 -0.511 1.00 71.53 C ATOM 952 CD GLU A 81 4.790 -12.046 0.997 1.00 12.13 C ATOM 953 OE1 GLU A 81 5.342 -13.022 1.546 1.00 40.03 O ATOM 954 OE2 GLU A 81 4.364 -11.056 1.628 1.00 74.54 O ATOM 0 H GLU A 81 7.579 -10.938 -2.903 1.00 61.24 H new ATOM 0 HA GLU A 81 6.569 -13.459 -2.111 1.00 41.44 H new ATOM 0 HB2 GLU A 81 6.724 -11.634 -0.543 1.00 1.14 H new ATOM 0 HB3 GLU A 81 5.760 -10.585 -1.563 1.00 1.14 H new ATOM 0 HG2 GLU A 81 3.802 -11.414 -0.792 1.00 71.53 H new ATOM 0 HG3 GLU A 81 4.367 -13.072 -0.832 1.00 71.53 H new ATOM 961 N VAL A 82 4.664 -11.650 -4.109 1.00 61.23 N ATOM 962 CA VAL A 82 3.502 -11.704 -4.989 1.00 22.41 C ATOM 963 C VAL A 82 3.855 -12.347 -6.325 1.00 53.04 C ATOM 964 O VAL A 82 2.981 -12.844 -7.037 1.00 65.12 O ATOM 965 CB VAL A 82 2.926 -10.299 -5.245 1.00 32.04 C ATOM 966 CG1 VAL A 82 1.417 -10.365 -5.423 1.00 0.14 C ATOM 967 CG2 VAL A 82 3.296 -9.358 -4.108 1.00 52.41 C ATOM 0 H VAL A 82 5.187 -10.776 -4.154 1.00 61.23 H new ATOM 0 HA VAL A 82 2.750 -12.310 -4.484 1.00 22.41 H new ATOM 0 HB VAL A 82 3.360 -9.909 -6.166 1.00 32.04 H new ATOM 0 HG11 VAL A 82 1.028 -9.363 -5.603 1.00 0.14 H new ATOM 0 HG12 VAL A 82 1.178 -11.005 -6.273 1.00 0.14 H new ATOM 0 HG13 VAL A 82 0.962 -10.775 -4.521 1.00 0.14 H new ATOM 0 HG21 VAL A 82 2.881 -8.369 -4.304 1.00 52.41 H new ATOM 0 HG22 VAL A 82 2.891 -9.742 -3.172 1.00 52.41 H new ATOM 0 HG23 VAL A 82 4.381 -9.288 -4.032 1.00 52.41 H new ATOM 977 N LEU A 83 5.140 -12.335 -6.661 1.00 21.33 N ATOM 978 CA LEU A 83 5.610 -12.919 -7.913 1.00 44.50 C ATOM 979 C LEU A 83 5.735 -14.434 -7.794 1.00 0.31 C ATOM 980 O LEU A 83 5.260 -15.177 -8.655 1.00 2.44 O ATOM 981 CB LEU A 83 6.959 -12.313 -8.306 1.00 12.24 C ATOM 982 CG LEU A 83 7.417 -12.570 -9.742 1.00 0.42 C ATOM 983 CD1 LEU A 83 7.750 -14.040 -9.942 1.00 4.32 C ATOM 984 CD2 LEU A 83 6.348 -12.124 -10.729 1.00 64.24 C ATOM 0 H LEU A 83 5.876 -11.927 -6.084 1.00 21.33 H new ATOM 0 HA LEU A 83 4.878 -12.694 -8.688 1.00 44.50 H new ATOM 0 HB2 LEU A 83 6.910 -11.236 -8.149 1.00 12.24 H new ATOM 0 HB3 LEU A 83 7.720 -12.700 -7.628 1.00 12.24 H new ATOM 0 HG LEU A 83 8.320 -11.987 -9.925 1.00 0.42 H new ATOM 0 HD11 LEU A 83 8.074 -14.203 -10.970 1.00 4.32 H new ATOM 0 HD12 LEU A 83 8.550 -14.328 -9.260 1.00 4.32 H new ATOM 0 HD13 LEU A 83 6.866 -14.644 -9.740 1.00 4.32 H new ATOM 0 HD21 LEU A 83 6.690 -12.314 -11.746 1.00 64.24 H new ATOM 0 HD22 LEU A 83 5.429 -12.680 -10.546 1.00 64.24 H new ATOM 0 HD23 LEU A 83 6.159 -11.058 -10.603 1.00 64.24 H new ATOM 996 N THR A 84 6.375 -14.888 -6.721 1.00 45.20 N ATOM 997 CA THR A 84 6.563 -16.315 -6.490 1.00 34.14 C ATOM 998 C THR A 84 5.229 -17.054 -6.509 1.00 14.22 C ATOM 999 O THR A 84 5.180 -18.254 -6.773 1.00 35.31 O ATOM 1000 CB THR A 84 7.262 -16.578 -5.143 1.00 5.00 C ATOM 1001 OG1 THR A 84 8.636 -16.180 -5.219 1.00 34.51 O ATOM 1002 CG2 THR A 84 7.176 -18.050 -4.767 1.00 13.32 C ATOM 0 H THR A 84 6.772 -14.288 -5.998 1.00 45.20 H new ATOM 0 HA THR A 84 7.194 -16.686 -7.298 1.00 34.14 H new ATOM 0 HB THR A 84 6.756 -15.993 -4.375 1.00 5.00 H new ATOM 0 HG1 THR A 84 8.712 -15.225 -5.011 1.00 34.51 H new ATOM 0 HG21 THR A 84 7.676 -18.211 -3.812 1.00 13.32 H new ATOM 0 HG22 THR A 84 6.130 -18.343 -4.682 1.00 13.32 H new ATOM 0 HG23 THR A 84 7.660 -18.651 -5.537 1.00 13.32 H new ATOM 1010 N GLU A 85 4.151 -16.328 -6.229 1.00 44.42 N ATOM 1011 CA GLU A 85 2.817 -16.917 -6.215 1.00 41.13 C ATOM 1012 C GLU A 85 2.267 -17.053 -7.632 1.00 3.02 C ATOM 1013 O GLU A 85 1.462 -17.941 -7.913 1.00 15.40 O ATOM 1014 CB GLU A 85 1.869 -16.065 -5.369 1.00 14.14 C ATOM 1015 CG GLU A 85 0.400 -16.390 -5.586 1.00 64.21 C ATOM 1016 CD GLU A 85 -0.502 -15.728 -4.563 1.00 24.11 C ATOM 1017 OE1 GLU A 85 -0.158 -14.622 -4.097 1.00 2.11 O ATOM 1018 OE2 GLU A 85 -1.552 -16.316 -4.228 1.00 64.44 O ATOM 0 H GLU A 85 4.175 -15.332 -6.009 1.00 44.42 H new ATOM 0 HA GLU A 85 2.892 -17.912 -5.776 1.00 41.13 H new ATOM 0 HB2 GLU A 85 2.111 -16.204 -4.315 1.00 14.14 H new ATOM 0 HB3 GLU A 85 2.037 -15.013 -5.598 1.00 14.14 H new ATOM 0 HG2 GLU A 85 0.105 -16.070 -6.585 1.00 64.21 H new ATOM 0 HG3 GLU A 85 0.261 -17.470 -5.543 1.00 64.21 H new ATOM 1025 N ILE A 86 2.710 -16.169 -8.519 1.00 54.42 N ATOM 1026 CA ILE A 86 2.263 -16.191 -9.906 1.00 52.35 C ATOM 1027 C ILE A 86 2.516 -17.553 -10.545 1.00 11.03 C ATOM 1028 O ILE A 86 1.687 -18.060 -11.300 1.00 11.53 O ATOM 1029 CB ILE A 86 2.968 -15.107 -10.743 1.00 43.11 C ATOM 1030 CG1 ILE A 86 2.674 -13.719 -10.170 1.00 11.40 C ATOM 1031 CG2 ILE A 86 2.530 -15.190 -12.197 1.00 53.51 C ATOM 1032 CD1 ILE A 86 3.221 -12.588 -11.014 1.00 24.52 C ATOM 0 H ILE A 86 3.378 -15.429 -8.302 1.00 54.42 H new ATOM 0 HA ILE A 86 1.192 -15.991 -9.894 1.00 52.35 H new ATOM 0 HB ILE A 86 4.044 -15.278 -10.699 1.00 43.11 H new ATOM 0 HG12 ILE A 86 1.595 -13.597 -10.069 1.00 11.40 H new ATOM 0 HG13 ILE A 86 3.097 -13.651 -9.168 1.00 11.40 H new ATOM 0 HG21 ILE A 86 3.037 -14.417 -12.775 1.00 53.51 H new ATOM 0 HG22 ILE A 86 2.786 -16.170 -12.599 1.00 53.51 H new ATOM 0 HG23 ILE A 86 1.452 -15.042 -12.261 1.00 53.51 H new ATOM 0 HD11 ILE A 86 2.975 -11.634 -10.547 1.00 24.52 H new ATOM 0 HD12 ILE A 86 4.304 -12.685 -11.094 1.00 24.52 H new ATOM 0 HD13 ILE A 86 2.778 -12.630 -12.009 1.00 24.52 H new ATOM 1044 N SER A 87 3.667 -18.142 -10.233 1.00 11.32 N ATOM 1045 CA SER A 87 4.030 -19.445 -10.777 1.00 4.33 C ATOM 1046 C SER A 87 4.031 -20.509 -9.684 1.00 13.35 C ATOM 1047 O SER A 87 4.025 -21.706 -9.968 1.00 1.11 O ATOM 1048 CB SER A 87 5.407 -19.378 -11.440 1.00 2.12 C ATOM 1049 OG SER A 87 5.844 -18.036 -11.576 1.00 33.20 O ATOM 0 H SER A 87 4.363 -17.737 -9.607 1.00 11.32 H new ATOM 0 HA SER A 87 3.287 -19.719 -11.526 1.00 4.33 H new ATOM 0 HB2 SER A 87 6.128 -19.940 -10.846 1.00 2.12 H new ATOM 0 HB3 SER A 87 5.365 -19.851 -12.421 1.00 2.12 H new ATOM 0 HG SER A 87 6.618 -18.003 -12.176 1.00 33.20 H new ATOM 1055 N ASN A 88 4.036 -20.061 -8.432 1.00 23.32 N ATOM 1056 CA ASN A 88 4.038 -20.975 -7.294 1.00 43.03 C ATOM 1057 C ASN A 88 5.149 -22.012 -7.431 1.00 3.11 C ATOM 1058 O ASN A 88 4.928 -23.203 -7.217 1.00 30.42 O ATOM 1059 CB ASN A 88 2.683 -21.675 -7.174 1.00 31.12 C ATOM 1060 CG ASN A 88 1.613 -20.767 -6.599 1.00 73.33 C ATOM 1061 OD1 ASN A 88 1.789 -20.178 -5.534 1.00 63.21 O ATOM 1062 ND2 ASN A 88 0.494 -20.653 -7.306 1.00 12.14 N ATOM 0 H ASN A 88 4.039 -19.073 -8.180 1.00 23.32 H new ATOM 0 HA ASN A 88 4.219 -20.392 -6.391 1.00 43.03 H new ATOM 0 HB2 ASN A 88 2.369 -22.025 -8.158 1.00 31.12 H new ATOM 0 HB3 ASN A 88 2.787 -22.556 -6.541 1.00 31.12 H new ATOM 0 HD21 ASN A 88 -0.263 -20.058 -6.970 1.00 12.14 H new ATOM 0 HD22 ASN A 88 0.392 -21.161 -8.185 1.00 12.14 H new ATOM 1069 N GLN A 89 6.342 -21.549 -7.787 1.00 44.24 N ATOM 1070 CA GLN A 89 7.488 -22.437 -7.952 1.00 50.11 C ATOM 1071 C GLN A 89 8.637 -22.018 -7.040 1.00 74.23 C ATOM 1072 O GLN A 89 8.792 -20.840 -6.721 1.00 2.43 O ATOM 1073 CB GLN A 89 7.953 -22.439 -9.409 1.00 74.25 C ATOM 1074 CG GLN A 89 7.310 -23.530 -10.251 1.00 42.11 C ATOM 1075 CD GLN A 89 6.376 -22.977 -11.309 1.00 3.02 C ATOM 1076 OE1 GLN A 89 5.245 -23.441 -11.460 1.00 64.32 O ATOM 1077 NE2 GLN A 89 6.845 -21.979 -12.050 1.00 11.13 N ATOM 0 H GLN A 89 6.541 -20.565 -7.967 1.00 44.24 H new ATOM 0 HA GLN A 89 7.177 -23.445 -7.676 1.00 50.11 H new ATOM 0 HB2 GLN A 89 7.730 -21.469 -9.854 1.00 74.25 H new ATOM 0 HB3 GLN A 89 9.036 -22.561 -9.436 1.00 74.25 H new ATOM 0 HG2 GLN A 89 8.090 -24.119 -10.733 1.00 42.11 H new ATOM 0 HG3 GLN A 89 6.756 -24.207 -9.600 1.00 42.11 H new ATOM 0 HE21 GLN A 89 7.788 -21.625 -11.891 1.00 11.13 H new ATOM 0 HE22 GLN A 89 6.262 -21.567 -12.778 1.00 11.13 H new ATOM 1086 N LYS A 90 9.440 -22.991 -6.624 1.00 35.13 N ATOM 1087 CA LYS A 90 10.575 -22.726 -5.749 1.00 51.23 C ATOM 1088 C LYS A 90 11.353 -21.502 -6.225 1.00 21.30 C ATOM 1089 O LYS A 90 11.726 -20.642 -5.427 1.00 31.41 O ATOM 1090 CB LYS A 90 11.501 -23.944 -5.697 1.00 41.22 C ATOM 1091 CG LYS A 90 11.860 -24.375 -4.286 1.00 14.23 C ATOM 1092 CD LYS A 90 12.857 -25.521 -4.289 1.00 11.42 C ATOM 1093 CE LYS A 90 13.145 -26.012 -2.879 1.00 23.45 C ATOM 1094 NZ LYS A 90 14.289 -26.966 -2.847 1.00 45.54 N ATOM 0 H LYS A 90 9.325 -23.972 -6.879 1.00 35.13 H new ATOM 0 HA LYS A 90 10.192 -22.526 -4.748 1.00 51.23 H new ATOM 0 HB2 LYS A 90 11.021 -24.777 -6.211 1.00 41.22 H new ATOM 0 HB3 LYS A 90 12.417 -23.717 -6.243 1.00 41.22 H new ATOM 0 HG2 LYS A 90 12.279 -23.529 -3.742 1.00 14.23 H new ATOM 0 HG3 LYS A 90 10.957 -24.679 -3.757 1.00 14.23 H new ATOM 0 HD2 LYS A 90 12.467 -26.343 -4.889 1.00 11.42 H new ATOM 0 HD3 LYS A 90 13.785 -25.196 -4.759 1.00 11.42 H new ATOM 0 HE2 LYS A 90 13.364 -25.160 -2.235 1.00 23.45 H new ATOM 0 HE3 LYS A 90 12.256 -26.497 -2.475 1.00 23.45 H new ATOM 0 HZ1 LYS A 90 14.454 -27.278 -1.869 1.00 45.54 H new ATOM 0 HZ2 LYS A 90 14.070 -27.791 -3.441 1.00 45.54 H new ATOM 0 HZ3 LYS A 90 15.143 -26.496 -3.209 1.00 45.54 H new ATOM 1108 N THR A 91 11.594 -21.430 -7.530 1.00 20.53 N ATOM 1109 CA THR A 91 12.327 -20.313 -8.111 1.00 63.51 C ATOM 1110 C THR A 91 11.388 -19.168 -8.471 1.00 40.24 C ATOM 1111 O THR A 91 10.199 -19.204 -8.156 1.00 41.04 O ATOM 1112 CB THR A 91 13.101 -20.744 -9.372 1.00 13.33 C ATOM 1113 OG1 THR A 91 12.535 -21.946 -9.908 1.00 0.54 O ATOM 1114 CG2 THR A 91 14.571 -20.966 -9.054 1.00 65.32 C ATOM 0 H THR A 91 11.292 -22.133 -8.205 1.00 20.53 H new ATOM 0 HA THR A 91 13.037 -19.974 -7.357 1.00 63.51 H new ATOM 0 HB THR A 91 13.022 -19.946 -10.111 1.00 13.33 H new ATOM 0 HG1 THR A 91 12.798 -22.041 -10.847 1.00 0.54 H new ATOM 0 HG21 THR A 91 15.097 -21.270 -9.959 1.00 65.32 H new ATOM 0 HG22 THR A 91 15.005 -20.041 -8.675 1.00 65.32 H new ATOM 0 HG23 THR A 91 14.666 -21.747 -8.300 1.00 65.32 H new ATOM 1122 N VAL A 92 11.930 -18.151 -9.134 1.00 1.24 N ATOM 1123 CA VAL A 92 11.139 -16.994 -9.539 1.00 25.02 C ATOM 1124 C VAL A 92 11.071 -16.880 -11.058 1.00 1.00 C ATOM 1125 O VAL A 92 11.385 -15.842 -11.642 1.00 31.03 O ATOM 1126 CB VAL A 92 11.719 -15.688 -8.962 1.00 71.31 C ATOM 1127 CG1 VAL A 92 10.612 -14.671 -8.729 1.00 23.52 C ATOM 1128 CG2 VAL A 92 12.480 -15.967 -7.674 1.00 42.34 C ATOM 0 H VAL A 92 12.913 -18.105 -9.402 1.00 1.24 H new ATOM 0 HA VAL A 92 10.134 -17.142 -9.143 1.00 25.02 H new ATOM 0 HB VAL A 92 12.418 -15.269 -9.686 1.00 71.31 H new ATOM 0 HG11 VAL A 92 11.039 -13.755 -8.321 1.00 23.52 H new ATOM 0 HG12 VAL A 92 10.116 -14.451 -9.674 1.00 23.52 H new ATOM 0 HG13 VAL A 92 9.887 -15.078 -8.024 1.00 23.52 H new ATOM 0 HG21 VAL A 92 12.883 -15.034 -7.280 1.00 42.34 H new ATOM 0 HG22 VAL A 92 11.805 -16.409 -6.941 1.00 42.34 H new ATOM 0 HG23 VAL A 92 13.298 -16.658 -7.877 1.00 42.34 H new ATOM 1138 N PRO A 93 10.651 -17.971 -11.715 1.00 71.31 N ATOM 1139 CA PRO A 93 10.531 -18.018 -13.175 1.00 53.01 C ATOM 1140 C PRO A 93 9.389 -17.148 -13.691 1.00 4.03 C ATOM 1141 O PRO A 93 8.239 -17.314 -13.287 1.00 51.20 O ATOM 1142 CB PRO A 93 10.248 -19.496 -13.460 1.00 44.23 C ATOM 1143 CG PRO A 93 9.625 -20.010 -12.209 1.00 34.04 C ATOM 1144 CD PRO A 93 10.261 -19.242 -11.082 1.00 62.35 C ATOM 0 HA PRO A 93 11.424 -17.637 -13.670 1.00 53.01 H new ATOM 0 HB2 PRO A 93 9.579 -19.614 -14.313 1.00 44.23 H new ATOM 0 HB3 PRO A 93 11.165 -20.036 -13.697 1.00 44.23 H new ATOM 0 HG2 PRO A 93 8.545 -19.862 -12.222 1.00 34.04 H new ATOM 0 HG3 PRO A 93 9.798 -21.080 -12.098 1.00 34.04 H new ATOM 0 HD2 PRO A 93 9.564 -19.084 -10.259 1.00 62.35 H new ATOM 0 HD3 PRO A 93 11.123 -19.769 -10.673 1.00 62.35 H new ATOM 1152 N ASN A 94 9.715 -16.221 -14.586 1.00 62.41 N ATOM 1153 CA ASN A 94 8.717 -15.326 -15.157 1.00 53.52 C ATOM 1154 C ASN A 94 8.874 -15.229 -16.671 1.00 43.20 C ATOM 1155 O ASN A 94 9.850 -14.667 -17.170 1.00 2.14 O ATOM 1156 CB ASN A 94 8.833 -13.934 -14.531 1.00 72.31 C ATOM 1157 CG ASN A 94 7.648 -13.597 -13.647 1.00 61.14 C ATOM 1158 OD1 ASN A 94 7.140 -12.475 -13.671 1.00 63.12 O ATOM 1159 ND2 ASN A 94 7.201 -14.569 -12.861 1.00 3.35 N ATOM 0 H ASN A 94 10.663 -16.071 -14.931 1.00 62.41 H new ATOM 0 HA ASN A 94 7.731 -15.736 -14.938 1.00 53.52 H new ATOM 0 HB2 ASN A 94 9.749 -13.878 -13.943 1.00 72.31 H new ATOM 0 HB3 ASN A 94 8.916 -13.189 -15.322 1.00 72.31 H new ATOM 0 HD21 ASN A 94 6.406 -14.401 -12.244 1.00 3.35 H new ATOM 0 HD22 ASN A 94 7.653 -15.484 -12.874 1.00 3.35 H new ATOM 1166 N ILE A 95 7.908 -15.781 -17.398 1.00 12.24 N ATOM 1167 CA ILE A 95 7.939 -15.756 -18.855 1.00 13.42 C ATOM 1168 C ILE A 95 6.627 -15.224 -19.423 1.00 24.33 C ATOM 1169 O ILE A 95 5.629 -15.942 -19.484 1.00 0.45 O ATOM 1170 CB ILE A 95 8.207 -17.156 -19.436 1.00 71.21 C ATOM 1171 CG1 ILE A 95 7.631 -18.234 -18.515 1.00 72.13 C ATOM 1172 CG2 ILE A 95 9.700 -17.368 -19.639 1.00 74.14 C ATOM 1173 CD1 ILE A 95 8.608 -18.721 -17.468 1.00 41.24 C ATOM 0 H ILE A 95 7.094 -16.251 -17.001 1.00 12.24 H new ATOM 0 HA ILE A 95 8.753 -15.091 -19.143 1.00 13.42 H new ATOM 0 HB ILE A 95 7.714 -17.231 -20.405 1.00 71.21 H new ATOM 0 HG12 ILE A 95 6.745 -17.840 -18.018 1.00 72.13 H new ATOM 0 HG13 ILE A 95 7.307 -19.081 -19.119 1.00 72.13 H new ATOM 0 HG21 ILE A 95 9.874 -18.362 -20.050 1.00 74.14 H new ATOM 0 HG22 ILE A 95 10.083 -16.617 -20.330 1.00 74.14 H new ATOM 0 HG23 ILE A 95 10.214 -17.276 -18.682 1.00 74.14 H new ATOM 0 HD11 ILE A 95 8.131 -19.483 -16.852 1.00 41.24 H new ATOM 0 HD12 ILE A 95 9.484 -19.146 -17.958 1.00 41.24 H new ATOM 0 HD13 ILE A 95 8.914 -17.885 -16.839 1.00 41.24 H new ATOM 1185 N PHE A 96 6.638 -13.963 -19.839 1.00 52.42 N ATOM 1186 CA PHE A 96 5.449 -13.334 -20.405 1.00 42.41 C ATOM 1187 C PHE A 96 5.823 -12.386 -21.540 1.00 71.42 C ATOM 1188 O PHE A 96 6.592 -11.443 -21.350 1.00 22.11 O ATOM 1189 CB PHE A 96 4.685 -12.572 -19.320 1.00 0.40 C ATOM 1190 CG PHE A 96 4.451 -13.376 -18.074 1.00 24.43 C ATOM 1191 CD1 PHE A 96 5.473 -13.572 -17.158 1.00 51.12 C ATOM 1192 CD2 PHE A 96 3.212 -13.938 -17.817 1.00 74.32 C ATOM 1193 CE1 PHE A 96 5.262 -14.311 -16.009 1.00 73.34 C ATOM 1194 CE2 PHE A 96 2.994 -14.678 -16.671 1.00 65.11 C ATOM 1195 CZ PHE A 96 4.021 -14.866 -15.766 1.00 35.43 C ATOM 0 H PHE A 96 7.456 -13.356 -19.795 1.00 52.42 H new ATOM 0 HA PHE A 96 4.809 -14.119 -20.808 1.00 42.41 H new ATOM 0 HB2 PHE A 96 5.240 -11.670 -19.062 1.00 0.40 H new ATOM 0 HB3 PHE A 96 3.724 -12.251 -19.721 1.00 0.40 H new ATOM 0 HD1 PHE A 96 6.446 -13.142 -17.344 1.00 51.12 H new ATOM 0 HD2 PHE A 96 2.406 -13.796 -18.521 1.00 74.32 H new ATOM 0 HE1 PHE A 96 6.066 -14.454 -15.303 1.00 73.34 H new ATOM 0 HE2 PHE A 96 2.022 -15.109 -16.483 1.00 65.11 H new ATOM 0 HZ PHE A 96 3.854 -15.446 -14.870 1.00 35.43 H new ATOM 1205 N VAL A 97 5.274 -12.643 -22.723 1.00 24.32 N ATOM 1206 CA VAL A 97 5.549 -11.814 -23.891 1.00 14.22 C ATOM 1207 C VAL A 97 4.256 -11.327 -24.535 1.00 22.31 C ATOM 1208 O VAL A 97 3.268 -12.058 -24.597 1.00 54.11 O ATOM 1209 CB VAL A 97 6.377 -12.579 -24.940 1.00 14.20 C ATOM 1210 CG1 VAL A 97 5.708 -13.899 -25.290 1.00 22.50 C ATOM 1211 CG2 VAL A 97 6.577 -11.726 -26.184 1.00 25.20 C ATOM 0 H VAL A 97 4.636 -13.419 -22.898 1.00 24.32 H new ATOM 0 HA VAL A 97 6.123 -10.956 -23.542 1.00 14.22 H new ATOM 0 HB VAL A 97 7.357 -12.798 -24.516 1.00 14.20 H new ATOM 0 HG11 VAL A 97 6.308 -14.425 -26.033 1.00 22.50 H new ATOM 0 HG12 VAL A 97 5.621 -14.512 -24.393 1.00 22.50 H new ATOM 0 HG13 VAL A 97 4.715 -13.707 -25.696 1.00 22.50 H new ATOM 0 HG21 VAL A 97 7.164 -12.281 -26.915 1.00 25.20 H new ATOM 0 HG22 VAL A 97 5.607 -11.475 -26.613 1.00 25.20 H new ATOM 0 HG23 VAL A 97 7.104 -10.810 -25.916 1.00 25.20 H new ATOM 1221 N ASN A 98 4.270 -10.088 -25.016 1.00 22.42 N ATOM 1222 CA ASN A 98 3.099 -9.503 -25.656 1.00 75.44 C ATOM 1223 C ASN A 98 1.904 -9.496 -24.706 1.00 5.13 C ATOM 1224 O ASN A 98 0.779 -9.798 -25.102 1.00 13.32 O ATOM 1225 CB ASN A 98 2.747 -10.279 -26.929 1.00 13.44 C ATOM 1226 CG ASN A 98 2.208 -9.378 -28.024 1.00 65.22 C ATOM 1227 OD1 ASN A 98 1.129 -8.801 -27.895 1.00 33.33 O ATOM 1228 ND2 ASN A 98 2.962 -9.253 -29.110 1.00 23.51 N ATOM 0 H ASN A 98 5.080 -9.470 -24.974 1.00 22.42 H new ATOM 0 HA ASN A 98 3.337 -8.472 -25.919 1.00 75.44 H new ATOM 0 HB2 ASN A 98 3.634 -10.797 -27.292 1.00 13.44 H new ATOM 0 HB3 ASN A 98 2.006 -11.043 -26.693 1.00 13.44 H new ATOM 0 HD21 ASN A 98 2.653 -8.660 -29.880 1.00 23.51 H new ATOM 0 HD22 ASN A 98 3.850 -9.750 -29.174 1.00 23.51 H new ATOM 1235 N LYS A 99 2.159 -9.150 -23.448 1.00 41.42 N ATOM 1236 CA LYS A 99 1.108 -9.100 -22.440 1.00 33.20 C ATOM 1237 C LYS A 99 0.477 -10.476 -22.244 1.00 41.31 C ATOM 1238 O LYS A 99 -0.618 -10.596 -21.694 1.00 52.44 O ATOM 1239 CB LYS A 99 0.032 -8.088 -22.844 1.00 23.21 C ATOM 1240 CG LYS A 99 0.578 -6.698 -23.118 1.00 63.21 C ATOM 1241 CD LYS A 99 -0.360 -5.896 -24.004 1.00 3.31 C ATOM 1242 CE LYS A 99 0.161 -5.803 -25.429 1.00 62.23 C ATOM 1243 NZ LYS A 99 -0.177 -4.497 -26.060 1.00 61.23 N ATOM 0 H LYS A 99 3.086 -8.900 -23.103 1.00 41.42 H new ATOM 0 HA LYS A 99 1.558 -8.787 -21.498 1.00 33.20 H new ATOM 0 HB2 LYS A 99 -0.480 -8.451 -23.735 1.00 23.21 H new ATOM 0 HB3 LYS A 99 -0.714 -8.027 -22.051 1.00 23.21 H new ATOM 0 HG2 LYS A 99 0.728 -6.172 -22.175 1.00 63.21 H new ATOM 0 HG3 LYS A 99 1.554 -6.777 -23.597 1.00 63.21 H new ATOM 0 HD2 LYS A 99 -1.346 -6.361 -24.006 1.00 3.31 H new ATOM 0 HD3 LYS A 99 -0.481 -4.893 -23.594 1.00 3.31 H new ATOM 0 HE2 LYS A 99 1.243 -5.937 -25.429 1.00 62.23 H new ATOM 0 HE3 LYS A 99 -0.261 -6.613 -26.023 1.00 62.23 H new ATOM 0 HZ1 LYS A 99 0.196 -4.474 -27.031 1.00 61.23 H new ATOM 0 HZ2 LYS A 99 -1.210 -4.380 -26.083 1.00 61.23 H new ATOM 0 HZ3 LYS A 99 0.247 -3.725 -25.508 1.00 61.23 H new ATOM 1257 N VAL A 100 1.177 -11.513 -22.694 1.00 43.53 N ATOM 1258 CA VAL A 100 0.688 -12.880 -22.565 1.00 51.42 C ATOM 1259 C VAL A 100 1.630 -13.722 -21.713 1.00 33.33 C ATOM 1260 O VAL A 100 2.811 -13.405 -21.574 1.00 42.32 O ATOM 1261 CB VAL A 100 0.523 -13.548 -23.944 1.00 34.54 C ATOM 1262 CG1 VAL A 100 1.633 -14.562 -24.181 1.00 55.10 C ATOM 1263 CG2 VAL A 100 -0.844 -14.206 -24.055 1.00 75.15 C ATOM 0 H VAL A 100 2.085 -11.432 -23.151 1.00 43.53 H new ATOM 0 HA VAL A 100 -0.285 -12.825 -22.077 1.00 51.42 H new ATOM 0 HB VAL A 100 0.595 -12.779 -24.714 1.00 34.54 H new ATOM 0 HG11 VAL A 100 1.501 -15.024 -25.159 1.00 55.10 H new ATOM 0 HG12 VAL A 100 2.599 -14.059 -24.145 1.00 55.10 H new ATOM 0 HG13 VAL A 100 1.595 -15.330 -23.409 1.00 55.10 H new ATOM 0 HG21 VAL A 100 -0.944 -14.673 -25.035 1.00 75.15 H new ATOM 0 HG22 VAL A 100 -0.947 -14.965 -23.279 1.00 75.15 H new ATOM 0 HG23 VAL A 100 -1.622 -13.452 -23.931 1.00 75.15 H new ATOM 1273 N HIS A 101 1.099 -14.800 -21.143 1.00 71.12 N ATOM 1274 CA HIS A 101 1.892 -15.690 -20.304 1.00 23.30 C ATOM 1275 C HIS A 101 2.363 -16.906 -21.096 1.00 63.24 C ATOM 1276 O HIS A 101 1.638 -17.427 -21.944 1.00 22.25 O ATOM 1277 CB HIS A 101 1.079 -16.141 -19.091 1.00 33.45 C ATOM 1278 CG HIS A 101 -0.286 -16.649 -19.440 1.00 61.35 C ATOM 1279 ND1 HIS A 101 -1.441 -15.937 -19.192 1.00 24.34 N ATOM 1280 CD2 HIS A 101 -0.677 -17.806 -20.024 1.00 32.24 C ATOM 1281 CE1 HIS A 101 -2.483 -16.635 -19.606 1.00 63.14 C ATOM 1282 NE2 HIS A 101 -2.048 -17.774 -20.115 1.00 44.54 N ATOM 0 H HIS A 101 0.123 -15.077 -21.247 1.00 71.12 H new ATOM 0 HA HIS A 101 2.768 -15.140 -19.960 1.00 23.30 H new ATOM 0 HB2 HIS A 101 1.627 -16.925 -18.568 1.00 33.45 H new ATOM 0 HB3 HIS A 101 0.980 -15.305 -18.399 1.00 33.45 H new ATOM 0 HD2 HIS A 101 -0.032 -18.606 -20.357 1.00 32.24 H new ATOM 0 HE1 HIS A 101 -3.516 -16.327 -19.540 1.00 63.14 H new ATOM 0 HE2 HIS A 101 -2.634 -18.509 -20.511 1.00 44.54 H new ATOM 1290 N VAL A 102 3.584 -17.353 -20.815 1.00 71.20 N ATOM 1291 CA VAL A 102 4.151 -18.508 -21.500 1.00 63.14 C ATOM 1292 C VAL A 102 3.908 -19.790 -20.712 1.00 61.11 C ATOM 1293 O VAL A 102 3.350 -20.754 -21.232 1.00 61.22 O ATOM 1294 CB VAL A 102 5.666 -18.336 -21.727 1.00 33.42 C ATOM 1295 CG1 VAL A 102 6.228 -19.525 -22.493 1.00 44.21 C ATOM 1296 CG2 VAL A 102 5.951 -17.035 -22.461 1.00 14.12 C ATOM 0 H VAL A 102 4.198 -16.932 -20.118 1.00 71.20 H new ATOM 0 HA VAL A 102 3.651 -18.580 -22.466 1.00 63.14 H new ATOM 0 HB VAL A 102 6.159 -18.293 -20.756 1.00 33.42 H new ATOM 0 HG11 VAL A 102 7.299 -19.387 -22.645 1.00 44.21 H new ATOM 0 HG12 VAL A 102 6.057 -20.439 -21.924 1.00 44.21 H new ATOM 0 HG13 VAL A 102 5.732 -19.602 -23.460 1.00 44.21 H new ATOM 0 HG21 VAL A 102 7.025 -16.930 -22.612 1.00 14.12 H new ATOM 0 HG22 VAL A 102 5.448 -17.045 -23.428 1.00 14.12 H new ATOM 0 HG23 VAL A 102 5.585 -16.196 -21.870 1.00 14.12 H new ATOM 1306 N GLY A 103 4.331 -19.792 -19.451 1.00 51.34 N ATOM 1307 CA GLY A 103 4.150 -20.961 -18.610 1.00 51.21 C ATOM 1308 C GLY A 103 5.280 -21.140 -17.616 1.00 32.15 C ATOM 1309 O GLY A 103 5.188 -20.691 -16.474 1.00 3.01 O ATOM 0 H GLY A 103 4.795 -19.005 -18.997 1.00 51.34 H new ATOM 0 HA2 GLY A 103 3.206 -20.875 -18.071 1.00 51.21 H new ATOM 0 HA3 GLY A 103 4.078 -21.849 -19.238 1.00 51.21 H new ATOM 1313 N GLY A 104 6.349 -21.800 -18.049 1.00 61.52 N ATOM 1314 CA GLY A 104 7.485 -22.029 -17.175 1.00 50.33 C ATOM 1315 C GLY A 104 7.668 -23.493 -16.832 1.00 13.34 C ATOM 1316 O GLY A 104 6.908 -24.345 -17.294 1.00 0.05 O ATOM 0 H GLY A 104 6.449 -22.181 -18.990 1.00 61.52 H new ATOM 0 HA2 GLY A 104 8.390 -21.656 -17.655 1.00 50.33 H new ATOM 0 HA3 GLY A 104 7.353 -21.458 -16.256 1.00 50.33 H new ATOM 1320 N CYS A 105 8.678 -23.788 -16.020 1.00 40.53 N ATOM 1321 CA CYS A 105 8.959 -25.160 -15.616 1.00 71.45 C ATOM 1322 C CYS A 105 9.437 -25.989 -16.805 1.00 0.24 C ATOM 1323 O CYS A 105 10.630 -26.262 -16.945 1.00 33.13 O ATOM 1324 CB CYS A 105 7.713 -25.799 -15.002 1.00 53.30 C ATOM 1325 SG CYS A 105 7.834 -26.091 -13.222 1.00 64.04 S ATOM 0 H CYS A 105 9.316 -23.095 -15.629 1.00 40.53 H new ATOM 0 HA CYS A 105 9.752 -25.137 -14.869 1.00 71.45 H new ATOM 0 HB2 CYS A 105 6.855 -25.156 -15.196 1.00 53.30 H new ATOM 0 HB3 CYS A 105 7.520 -26.748 -15.503 1.00 53.30 H new ATOM 0 HG CYS A 105 6.731 -26.631 -12.795 1.00 64.04 H new ATOM 1331 N ASP A 106 8.499 -26.387 -17.657 1.00 44.23 N ATOM 1332 CA ASP A 106 8.824 -27.186 -18.834 1.00 12.41 C ATOM 1333 C ASP A 106 7.986 -26.753 -20.033 1.00 13.42 C ATOM 1334 O ASP A 106 7.992 -27.408 -21.075 1.00 54.40 O ATOM 1335 CB ASP A 106 8.598 -28.670 -18.547 1.00 73.32 C ATOM 1336 CG ASP A 106 9.584 -29.559 -19.281 1.00 55.01 C ATOM 1337 OD1 ASP A 106 10.358 -29.031 -20.106 1.00 2.13 O ATOM 1338 OD2 ASP A 106 9.580 -30.782 -19.029 1.00 40.22 O ATOM 0 H ASP A 106 7.508 -26.170 -17.555 1.00 44.23 H new ATOM 0 HA ASP A 106 9.876 -27.026 -19.072 1.00 12.41 H new ATOM 0 HB2 ASP A 106 8.683 -28.847 -17.475 1.00 73.32 H new ATOM 0 HB3 ASP A 106 7.583 -28.942 -18.836 1.00 73.32 H new ATOM 1343 N ARG A 107 7.266 -25.646 -19.877 1.00 4.11 N ATOM 1344 CA ARG A 107 6.421 -25.127 -20.945 1.00 62.21 C ATOM 1345 C ARG A 107 7.223 -24.233 -21.886 1.00 13.33 C ATOM 1346 O ARG A 107 7.286 -24.477 -23.091 1.00 15.11 O ATOM 1347 CB ARG A 107 5.244 -24.346 -20.360 1.00 1.00 C ATOM 1348 CG ARG A 107 4.642 -23.337 -21.324 1.00 41.12 C ATOM 1349 CD ARG A 107 4.273 -23.986 -22.649 1.00 54.30 C ATOM 1350 NE ARG A 107 2.885 -23.718 -23.020 1.00 62.15 N ATOM 1351 CZ ARG A 107 1.851 -24.401 -22.541 1.00 1.55 C ATOM 1352 NH1 ARG A 107 2.047 -25.385 -21.675 1.00 73.22 N ATOM 1353 NH2 ARG A 107 0.618 -24.097 -22.927 1.00 10.03 N ATOM 0 H ARG A 107 7.251 -25.092 -19.021 1.00 4.11 H new ATOM 0 HA ARG A 107 6.038 -25.973 -21.515 1.00 62.21 H new ATOM 0 HB2 ARG A 107 4.470 -25.049 -20.053 1.00 1.00 H new ATOM 0 HB3 ARG A 107 5.576 -23.825 -19.462 1.00 1.00 H new ATOM 0 HG2 ARG A 107 3.754 -22.889 -20.877 1.00 41.12 H new ATOM 0 HG3 ARG A 107 5.353 -22.529 -21.498 1.00 41.12 H new ATOM 0 HD2 ARG A 107 4.936 -23.616 -23.431 1.00 54.30 H new ATOM 0 HD3 ARG A 107 4.429 -25.063 -22.582 1.00 54.30 H new ATOM 0 HE ARG A 107 2.700 -22.965 -23.683 1.00 62.15 H new ATOM 0 HH11 ARG A 107 2.993 -25.619 -21.375 1.00 73.22 H new ATOM 0 HH12 ARG A 107 1.252 -25.908 -21.309 1.00 73.22 H new ATOM 0 HH21 ARG A 107 0.464 -23.339 -23.592 1.00 10.03 H new ATOM 0 HH22 ARG A 107 -0.176 -24.622 -22.559 1.00 10.03 H new ATOM 1367 N THR A 108 7.834 -23.192 -21.328 1.00 15.33 N ATOM 1368 CA THR A 108 8.630 -22.259 -22.115 1.00 54.10 C ATOM 1369 C THR A 108 9.738 -22.984 -22.870 1.00 52.23 C ATOM 1370 O THR A 108 10.150 -22.557 -23.950 1.00 34.33 O ATOM 1371 CB THR A 108 9.256 -21.166 -21.228 1.00 75.41 C ATOM 1372 OG1 THR A 108 8.321 -20.752 -20.227 1.00 33.54 O ATOM 1373 CG2 THR A 108 9.677 -19.968 -22.064 1.00 11.30 C ATOM 0 H THR A 108 7.792 -22.974 -20.332 1.00 15.33 H new ATOM 0 HA THR A 108 7.954 -21.791 -22.830 1.00 54.10 H new ATOM 0 HB THR A 108 10.141 -21.582 -20.746 1.00 75.41 H new ATOM 0 HG1 THR A 108 8.799 -20.555 -19.394 1.00 33.54 H new ATOM 0 HG21 THR A 108 10.116 -19.209 -21.417 1.00 11.30 H new ATOM 0 HG22 THR A 108 10.412 -20.282 -22.806 1.00 11.30 H new ATOM 0 HG23 THR A 108 8.805 -19.553 -22.570 1.00 11.30 H new ATOM 1381 N PHE A 109 10.219 -24.081 -22.296 1.00 63.52 N ATOM 1382 CA PHE A 109 11.281 -24.865 -22.915 1.00 24.03 C ATOM 1383 C PHE A 109 10.717 -25.804 -23.978 1.00 32.25 C ATOM 1384 O PHE A 109 11.065 -25.707 -25.153 1.00 53.33 O ATOM 1385 CB PHE A 109 12.034 -25.671 -21.854 1.00 64.01 C ATOM 1386 CG PHE A 109 12.588 -24.828 -20.741 1.00 54.32 C ATOM 1387 CD1 PHE A 109 13.552 -23.867 -20.997 1.00 11.50 C ATOM 1388 CD2 PHE A 109 12.143 -24.997 -19.440 1.00 2.32 C ATOM 1389 CE1 PHE A 109 14.063 -23.087 -19.975 1.00 23.52 C ATOM 1390 CE2 PHE A 109 12.650 -24.221 -18.414 1.00 25.42 C ATOM 1391 CZ PHE A 109 13.612 -23.267 -18.682 1.00 21.02 C ATOM 0 H PHE A 109 9.890 -24.448 -21.403 1.00 63.52 H new ATOM 0 HA PHE A 109 11.973 -24.175 -23.397 1.00 24.03 H new ATOM 0 HB2 PHE A 109 11.362 -26.419 -21.433 1.00 64.01 H new ATOM 0 HB3 PHE A 109 12.852 -26.211 -22.332 1.00 64.01 H new ATOM 0 HD1 PHE A 109 13.909 -23.725 -22.006 1.00 11.50 H new ATOM 0 HD2 PHE A 109 11.392 -25.743 -19.225 1.00 2.32 H new ATOM 0 HE1 PHE A 109 14.813 -22.339 -20.188 1.00 23.52 H new ATOM 0 HE2 PHE A 109 12.294 -24.361 -17.404 1.00 25.42 H new ATOM 0 HZ PHE A 109 14.011 -22.662 -17.881 1.00 21.02 H new ATOM 1401 N GLN A 110 9.844 -26.712 -23.552 1.00 72.14 N ATOM 1402 CA GLN A 110 9.232 -27.669 -24.466 1.00 52.41 C ATOM 1403 C GLN A 110 8.616 -26.957 -25.666 1.00 72.34 C ATOM 1404 O GLN A 110 8.744 -27.412 -26.803 1.00 31.24 O ATOM 1405 CB GLN A 110 8.164 -28.489 -23.740 1.00 42.11 C ATOM 1406 CG GLN A 110 7.609 -29.636 -24.569 1.00 2.14 C ATOM 1407 CD GLN A 110 8.699 -30.478 -25.202 1.00 41.13 C ATOM 1408 OE1 GLN A 110 8.829 -30.528 -26.426 1.00 32.44 O ATOM 1409 NE2 GLN A 110 9.492 -31.144 -24.371 1.00 31.32 N ATOM 0 H GLN A 110 9.545 -26.805 -22.581 1.00 72.14 H new ATOM 0 HA GLN A 110 10.012 -28.340 -24.826 1.00 52.41 H new ATOM 0 HB2 GLN A 110 8.589 -28.889 -22.820 1.00 42.11 H new ATOM 0 HB3 GLN A 110 7.345 -27.830 -23.453 1.00 42.11 H new ATOM 0 HG2 GLN A 110 6.987 -30.269 -23.936 1.00 2.14 H new ATOM 0 HG3 GLN A 110 6.964 -29.235 -25.351 1.00 2.14 H new ATOM 0 HE21 GLN A 110 9.349 -31.074 -23.364 1.00 31.32 H new ATOM 0 HE22 GLN A 110 10.244 -31.725 -24.740 1.00 31.32 H new ATOM 1418 N ALA A 111 7.945 -25.840 -25.406 1.00 24.12 N ATOM 1419 CA ALA A 111 7.311 -25.065 -26.464 1.00 74.42 C ATOM 1420 C ALA A 111 8.327 -24.640 -27.518 1.00 70.11 C ATOM 1421 O ALA A 111 7.984 -24.451 -28.686 1.00 33.53 O ATOM 1422 CB ALA A 111 6.612 -23.847 -25.880 1.00 51.35 C ATOM 0 H ALA A 111 7.827 -25.452 -24.470 1.00 24.12 H new ATOM 0 HA ALA A 111 6.568 -25.699 -26.949 1.00 74.42 H new ATOM 0 HB1 ALA A 111 6.143 -23.277 -26.682 1.00 51.35 H new ATOM 0 HB2 ALA A 111 5.850 -24.170 -25.171 1.00 51.35 H new ATOM 0 HB3 ALA A 111 7.342 -23.219 -25.368 1.00 51.35 H new ATOM 1428 N HIS A 112 9.580 -24.488 -27.099 1.00 74.34 N ATOM 1429 CA HIS A 112 10.646 -24.084 -28.008 1.00 23.40 C ATOM 1430 C HIS A 112 10.871 -25.141 -29.086 1.00 2.32 C ATOM 1431 O HIS A 112 10.764 -24.855 -30.278 1.00 25.25 O ATOM 1432 CB HIS A 112 11.943 -23.846 -27.233 1.00 15.42 C ATOM 1433 CG HIS A 112 13.066 -23.342 -28.084 1.00 52.23 C ATOM 1434 ND1 HIS A 112 14.380 -23.325 -27.665 1.00 55.33 N ATOM 1435 CD2 HIS A 112 13.066 -22.835 -29.340 1.00 23.12 C ATOM 1436 CE1 HIS A 112 15.139 -22.829 -28.625 1.00 50.24 C ATOM 1437 NE2 HIS A 112 14.367 -22.524 -29.653 1.00 45.50 N ATOM 0 H HIS A 112 9.881 -24.639 -26.136 1.00 74.34 H new ATOM 0 HA HIS A 112 10.344 -23.155 -28.492 1.00 23.40 H new ATOM 0 HB2 HIS A 112 11.753 -23.128 -26.435 1.00 15.42 H new ATOM 0 HB3 HIS A 112 12.249 -24.778 -26.758 1.00 15.42 H new ATOM 0 HD2 HIS A 112 12.204 -22.700 -29.977 1.00 23.12 H new ATOM 0 HE1 HIS A 112 16.210 -22.695 -28.578 1.00 50.24 H new ATOM 0 HE2 HIS A 112 14.685 -22.123 -30.535 1.00 45.50 H new ATOM 1445 N GLN A 113 11.183 -26.359 -28.656 1.00 74.44 N ATOM 1446 CA GLN A 113 11.425 -27.456 -29.585 1.00 75.54 C ATOM 1447 C GLN A 113 10.112 -27.987 -30.155 1.00 14.12 C ATOM 1448 O GLN A 113 10.103 -28.710 -31.150 1.00 52.53 O ATOM 1449 CB GLN A 113 12.184 -28.586 -28.887 1.00 61.53 C ATOM 1450 CG GLN A 113 13.632 -28.242 -28.575 1.00 14.01 C ATOM 1451 CD GLN A 113 14.331 -29.330 -27.783 1.00 44.05 C ATOM 1452 OE1 GLN A 113 15.145 -30.080 -28.322 1.00 64.23 O ATOM 1453 NE2 GLN A 113 14.018 -29.420 -26.496 1.00 72.10 N ATOM 0 H GLN A 113 11.274 -26.611 -27.672 1.00 74.44 H new ATOM 0 HA GLN A 113 12.030 -27.075 -30.407 1.00 75.54 H new ATOM 0 HB2 GLN A 113 11.671 -28.839 -27.959 1.00 61.53 H new ATOM 0 HB3 GLN A 113 12.158 -29.474 -29.518 1.00 61.53 H new ATOM 0 HG2 GLN A 113 14.171 -28.073 -29.507 1.00 14.01 H new ATOM 0 HG3 GLN A 113 13.667 -27.309 -28.013 1.00 14.01 H new ATOM 0 HE21 GLN A 113 13.338 -28.777 -26.090 1.00 72.10 H new ATOM 0 HE22 GLN A 113 14.458 -30.132 -25.913 1.00 72.10 H new ATOM 1462 N ASN A 114 9.005 -27.623 -29.514 1.00 45.14 N ATOM 1463 CA ASN A 114 7.687 -28.064 -29.956 1.00 41.44 C ATOM 1464 C ASN A 114 7.090 -27.075 -30.953 1.00 32.22 C ATOM 1465 O ASN A 114 6.158 -27.403 -31.686 1.00 15.21 O ATOM 1466 CB ASN A 114 6.751 -28.224 -28.757 1.00 12.50 C ATOM 1467 CG ASN A 114 5.294 -28.314 -29.168 1.00 21.32 C ATOM 1468 OD1 ASN A 114 4.946 -29.032 -30.105 1.00 50.13 O ATOM 1469 ND2 ASN A 114 4.435 -27.584 -28.466 1.00 72.14 N ATOM 0 H ASN A 114 8.995 -27.025 -28.688 1.00 45.14 H new ATOM 0 HA ASN A 114 7.800 -29.029 -30.451 1.00 41.44 H new ATOM 0 HB2 ASN A 114 7.025 -29.122 -28.203 1.00 12.50 H new ATOM 0 HB3 ASN A 114 6.883 -27.379 -28.081 1.00 12.50 H new ATOM 0 HD21 ASN A 114 3.441 -27.604 -28.696 1.00 72.14 H new ATOM 0 HD22 ASN A 114 4.769 -27.003 -27.697 1.00 72.14 H new ATOM 1476 N GLY A 115 7.635 -25.862 -30.975 1.00 40.32 N ATOM 1477 CA GLY A 115 7.143 -24.845 -31.885 1.00 44.34 C ATOM 1478 C GLY A 115 6.044 -24.000 -31.272 1.00 43.31 C ATOM 1479 O GLY A 115 5.592 -23.024 -31.874 1.00 73.31 O ATOM 0 H GLY A 115 8.408 -25.566 -30.379 1.00 40.32 H new ATOM 0 HA2 GLY A 115 7.969 -24.200 -32.184 1.00 44.34 H new ATOM 0 HA3 GLY A 115 6.768 -25.323 -32.790 1.00 44.34 H new ATOM 1483 N LEU A 116 5.613 -24.373 -30.073 1.00 73.23 N ATOM 1484 CA LEU A 116 4.558 -23.644 -29.379 1.00 13.54 C ATOM 1485 C LEU A 116 5.079 -22.317 -28.837 1.00 31.12 C ATOM 1486 O LEU A 116 4.303 -21.413 -28.522 1.00 71.54 O ATOM 1487 CB LEU A 116 3.994 -24.489 -28.235 1.00 14.02 C ATOM 1488 CG LEU A 116 2.896 -23.835 -27.395 1.00 72.21 C ATOM 1489 CD1 LEU A 116 1.847 -24.861 -26.995 1.00 4.30 C ATOM 1490 CD2 LEU A 116 3.492 -23.171 -26.161 1.00 73.03 C ATOM 0 H LEU A 116 5.978 -25.176 -29.561 1.00 73.23 H new ATOM 0 HA LEU A 116 3.763 -23.436 -30.095 1.00 13.54 H new ATOM 0 HB2 LEU A 116 3.600 -25.415 -28.654 1.00 14.02 H new ATOM 0 HB3 LEU A 116 4.816 -24.763 -27.573 1.00 14.02 H new ATOM 0 HG LEU A 116 2.412 -23.067 -27.999 1.00 72.21 H new ATOM 0 HD11 LEU A 116 1.074 -24.377 -26.398 1.00 4.30 H new ATOM 0 HD12 LEU A 116 1.398 -25.291 -27.891 1.00 4.30 H new ATOM 0 HD13 LEU A 116 2.316 -25.652 -26.409 1.00 4.30 H new ATOM 0 HD21 LEU A 116 2.696 -22.711 -25.575 1.00 73.03 H new ATOM 0 HD22 LEU A 116 4.002 -23.920 -25.555 1.00 73.03 H new ATOM 0 HD23 LEU A 116 4.205 -22.406 -26.468 1.00 73.03 H new ATOM 1502 N LEU A 117 6.398 -22.205 -28.731 1.00 44.45 N ATOM 1503 CA LEU A 117 7.026 -20.986 -28.230 1.00 75.23 C ATOM 1504 C LEU A 117 7.263 -19.991 -29.361 1.00 4.03 C ATOM 1505 O LEU A 117 6.891 -18.822 -29.259 1.00 62.54 O ATOM 1506 CB LEU A 117 8.350 -21.318 -27.540 1.00 51.20 C ATOM 1507 CG LEU A 117 8.774 -20.375 -26.413 1.00 75.40 C ATOM 1508 CD1 LEU A 117 7.951 -20.637 -25.161 1.00 22.40 C ATOM 1509 CD2 LEU A 117 10.259 -20.530 -26.118 1.00 61.24 C ATOM 0 H LEU A 117 7.054 -22.943 -28.985 1.00 44.45 H new ATOM 0 HA LEU A 117 6.351 -20.530 -27.506 1.00 75.23 H new ATOM 0 HB2 LEU A 117 8.283 -22.328 -27.136 1.00 51.20 H new ATOM 0 HB3 LEU A 117 9.137 -21.328 -28.294 1.00 51.20 H new ATOM 0 HG LEU A 117 8.593 -19.350 -26.735 1.00 75.40 H new ATOM 0 HD11 LEU A 117 8.266 -19.957 -24.369 1.00 22.40 H new ATOM 0 HD12 LEU A 117 6.895 -20.475 -25.379 1.00 22.40 H new ATOM 0 HD13 LEU A 117 8.101 -21.667 -24.836 1.00 22.40 H new ATOM 0 HD21 LEU A 117 10.543 -19.851 -25.314 1.00 61.24 H new ATOM 0 HD22 LEU A 117 10.465 -21.557 -25.816 1.00 61.24 H new ATOM 0 HD23 LEU A 117 10.834 -20.293 -27.013 1.00 61.24 H new ATOM 1521 N GLN A 118 7.883 -20.463 -30.437 1.00 52.22 N ATOM 1522 CA GLN A 118 8.168 -19.614 -31.588 1.00 0.55 C ATOM 1523 C GLN A 118 6.892 -18.969 -32.118 1.00 72.41 C ATOM 1524 O GLN A 118 6.907 -17.829 -32.585 1.00 20.42 O ATOM 1525 CB GLN A 118 8.841 -20.428 -32.695 1.00 1.54 C ATOM 1526 CG GLN A 118 7.875 -21.296 -33.484 1.00 40.41 C ATOM 1527 CD GLN A 118 8.561 -22.080 -34.586 1.00 10.04 C ATOM 1528 OE1 GLN A 118 8.182 -21.994 -35.753 1.00 42.13 O ATOM 1529 NE2 GLN A 118 9.579 -22.850 -34.218 1.00 31.32 N ATOM 0 H GLN A 118 8.198 -21.428 -30.536 1.00 52.22 H new ATOM 0 HA GLN A 118 8.846 -18.823 -31.266 1.00 0.55 H new ATOM 0 HB2 GLN A 118 9.346 -19.747 -33.379 1.00 1.54 H new ATOM 0 HB3 GLN A 118 9.609 -21.063 -32.252 1.00 1.54 H new ATOM 0 HG2 GLN A 118 7.378 -21.989 -32.805 1.00 40.41 H new ATOM 0 HG3 GLN A 118 7.100 -20.666 -33.920 1.00 40.41 H new ATOM 0 HE21 GLN A 118 9.859 -22.891 -33.238 1.00 31.32 H new ATOM 0 HE22 GLN A 118 10.080 -23.400 -34.915 1.00 31.32 H new ATOM 1538 N LYS A 119 5.788 -19.705 -32.045 1.00 44.00 N ATOM 1539 CA LYS A 119 4.502 -19.206 -32.516 1.00 71.11 C ATOM 1540 C LYS A 119 3.854 -18.303 -31.473 1.00 15.52 C ATOM 1541 O LYS A 119 2.995 -17.480 -31.797 1.00 43.51 O ATOM 1542 CB LYS A 119 3.569 -20.373 -32.847 1.00 51.01 C ATOM 1543 CG LYS A 119 3.303 -21.292 -31.667 1.00 4.20 C ATOM 1544 CD LYS A 119 2.143 -20.793 -30.823 1.00 34.43 C ATOM 1545 CE LYS A 119 1.143 -21.904 -30.537 1.00 61.41 C ATOM 1546 NZ LYS A 119 0.227 -21.551 -29.417 1.00 50.02 N ATOM 0 H LYS A 119 5.759 -20.651 -31.663 1.00 44.00 H new ATOM 0 HA LYS A 119 4.676 -18.621 -33.419 1.00 71.11 H new ATOM 0 HB2 LYS A 119 2.620 -19.977 -33.210 1.00 51.01 H new ATOM 0 HB3 LYS A 119 4.003 -20.955 -33.660 1.00 51.01 H new ATOM 0 HG2 LYS A 119 3.085 -22.297 -32.029 1.00 4.20 H new ATOM 0 HG3 LYS A 119 4.199 -21.363 -31.050 1.00 4.20 H new ATOM 0 HD2 LYS A 119 2.522 -20.392 -29.883 1.00 34.43 H new ATOM 0 HD3 LYS A 119 1.641 -19.975 -31.340 1.00 34.43 H new ATOM 0 HE2 LYS A 119 0.558 -22.106 -31.434 1.00 61.41 H new ATOM 0 HE3 LYS A 119 1.679 -22.821 -30.292 1.00 61.41 H new ATOM 0 HZ1 LYS A 119 -0.439 -22.333 -29.253 1.00 50.02 H new ATOM 0 HZ2 LYS A 119 0.783 -21.383 -28.554 1.00 50.02 H new ATOM 0 HZ3 LYS A 119 -0.303 -20.690 -29.661 1.00 50.02 H new ATOM 1560 N LEU A 120 4.269 -18.459 -30.221 1.00 74.31 N ATOM 1561 CA LEU A 120 3.729 -17.656 -29.129 1.00 43.23 C ATOM 1562 C LEU A 120 4.350 -16.262 -29.120 1.00 61.44 C ATOM 1563 O LEU A 120 3.658 -15.264 -28.914 1.00 51.22 O ATOM 1564 CB LEU A 120 3.980 -18.348 -27.788 1.00 52.41 C ATOM 1565 CG LEU A 120 3.411 -17.646 -26.555 1.00 12.44 C ATOM 1566 CD1 LEU A 120 4.382 -16.594 -26.043 1.00 14.33 C ATOM 1567 CD2 LEU A 120 2.061 -17.020 -26.873 1.00 11.22 C ATOM 0 H LEU A 120 4.978 -19.135 -29.936 1.00 74.31 H new ATOM 0 HA LEU A 120 2.655 -17.554 -29.282 1.00 43.23 H new ATOM 0 HB2 LEU A 120 3.560 -19.353 -27.836 1.00 52.41 H new ATOM 0 HB3 LEU A 120 5.056 -18.459 -27.654 1.00 52.41 H new ATOM 0 HG LEU A 120 3.268 -18.390 -25.771 1.00 12.44 H new ATOM 0 HD11 LEU A 120 3.959 -16.105 -25.165 1.00 14.33 H new ATOM 0 HD12 LEU A 120 5.325 -17.070 -25.775 1.00 14.33 H new ATOM 0 HD13 LEU A 120 4.558 -15.852 -26.822 1.00 14.33 H new ATOM 0 HD21 LEU A 120 1.671 -16.525 -25.984 1.00 11.22 H new ATOM 0 HD22 LEU A 120 2.178 -16.289 -27.673 1.00 11.22 H new ATOM 0 HD23 LEU A 120 1.365 -17.797 -27.190 1.00 11.22 H new ATOM 1579 N LEU A 121 5.657 -16.202 -29.347 1.00 23.04 N ATOM 1580 CA LEU A 121 6.372 -14.930 -29.367 1.00 31.34 C ATOM 1581 C LEU A 121 5.988 -14.109 -30.593 1.00 11.24 C ATOM 1582 O LEU A 121 6.144 -12.888 -30.608 1.00 4.11 O ATOM 1583 CB LEU A 121 7.883 -15.172 -29.353 1.00 40.53 C ATOM 1584 CG LEU A 121 8.408 -16.076 -28.238 1.00 41.01 C ATOM 1585 CD1 LEU A 121 9.918 -15.945 -28.112 1.00 21.41 C ATOM 1586 CD2 LEU A 121 7.729 -15.743 -26.918 1.00 25.42 C ATOM 0 H LEU A 121 6.244 -17.018 -29.520 1.00 23.04 H new ATOM 0 HA LEU A 121 6.092 -14.369 -28.475 1.00 31.34 H new ATOM 0 HB2 LEU A 121 8.170 -15.606 -30.311 1.00 40.53 H new ATOM 0 HB3 LEU A 121 8.384 -14.207 -29.277 1.00 40.53 H new ATOM 0 HG LEU A 121 8.174 -17.110 -28.493 1.00 41.01 H new ATOM 0 HD11 LEU A 121 10.274 -16.596 -27.313 1.00 21.41 H new ATOM 0 HD12 LEU A 121 10.388 -16.234 -29.052 1.00 21.41 H new ATOM 0 HD13 LEU A 121 10.175 -14.912 -27.880 1.00 21.41 H new ATOM 0 HD21 LEU A 121 8.115 -16.396 -26.135 1.00 25.42 H new ATOM 0 HD22 LEU A 121 7.932 -14.704 -26.656 1.00 25.42 H new ATOM 0 HD23 LEU A 121 6.653 -15.889 -27.015 1.00 25.42 H new ATOM 1598 N GLN A 122 5.482 -14.787 -31.618 1.00 14.34 N ATOM 1599 CA GLN A 122 5.073 -14.118 -32.848 1.00 23.44 C ATOM 1600 C GLN A 122 3.949 -13.124 -32.580 1.00 30.22 C ATOM 1601 O GLN A 122 3.780 -12.150 -33.314 1.00 33.44 O ATOM 1602 CB GLN A 122 4.624 -15.148 -33.887 1.00 13.42 C ATOM 1603 CG GLN A 122 5.767 -15.956 -34.477 1.00 33.43 C ATOM 1604 CD GLN A 122 6.102 -15.545 -35.896 1.00 43.41 C ATOM 1605 OE1 GLN A 122 6.240 -14.357 -36.193 1.00 74.45 O ATOM 1606 NE2 GLN A 122 6.238 -16.524 -36.781 1.00 74.21 N ATOM 0 H GLN A 122 5.345 -15.798 -31.622 1.00 14.34 H new ATOM 0 HA GLN A 122 5.931 -13.570 -33.237 1.00 23.44 H new ATOM 0 HB2 GLN A 122 3.909 -15.829 -33.425 1.00 13.42 H new ATOM 0 HB3 GLN A 122 4.100 -14.634 -34.693 1.00 13.42 H new ATOM 0 HG2 GLN A 122 6.651 -15.838 -33.851 1.00 33.43 H new ATOM 0 HG3 GLN A 122 5.504 -17.014 -34.462 1.00 33.43 H new ATOM 0 HE21 GLN A 122 6.115 -17.494 -36.491 1.00 74.21 H new ATOM 0 HE22 GLN A 122 6.466 -16.306 -37.751 1.00 74.21 H new ATOM 1615 N ASP A 123 3.183 -13.376 -31.524 1.00 12.21 N ATOM 1616 CA ASP A 123 2.074 -12.502 -31.158 1.00 3.01 C ATOM 1617 C ASP A 123 1.361 -13.020 -29.912 1.00 63.01 C ATOM 1618 O ASP A 123 1.226 -12.305 -28.920 1.00 12.41 O ATOM 1619 CB ASP A 123 1.083 -12.388 -32.317 1.00 1.45 C ATOM 1620 CG ASP A 123 -0.239 -11.779 -31.891 1.00 22.31 C ATOM 1621 OD1 ASP A 123 -0.275 -10.556 -31.641 1.00 53.03 O ATOM 1622 OD2 ASP A 123 -1.236 -12.527 -31.805 1.00 50.32 O ATOM 0 H ASP A 123 3.310 -14.178 -30.907 1.00 12.21 H new ATOM 0 HA ASP A 123 2.480 -11.514 -30.938 1.00 3.01 H new ATOM 0 HB2 ASP A 123 1.522 -11.780 -33.108 1.00 1.45 H new ATOM 0 HB3 ASP A 123 0.905 -13.378 -32.738 1.00 1.45 H new ATOM 1627 N ASP A 124 0.909 -14.267 -29.972 1.00 74.34 N ATOM 1628 CA ASP A 124 0.210 -14.882 -28.850 1.00 24.33 C ATOM 1629 C ASP A 124 -0.014 -16.371 -29.097 1.00 40.54 C ATOM 1630 O ASP A 124 -0.486 -16.767 -30.164 1.00 72.01 O ATOM 1631 CB ASP A 124 -1.130 -14.184 -28.611 1.00 11.13 C ATOM 1632 CG ASP A 124 -1.216 -13.549 -27.238 1.00 1.32 C ATOM 1633 OD1 ASP A 124 -0.256 -12.852 -26.845 1.00 32.42 O ATOM 1634 OD2 ASP A 124 -2.242 -13.749 -26.553 1.00 62.13 O ATOM 0 H ASP A 124 1.014 -14.872 -30.786 1.00 74.34 H new ATOM 0 HA ASP A 124 0.832 -14.770 -27.962 1.00 24.33 H new ATOM 0 HB2 ASP A 124 -1.278 -13.418 -29.372 1.00 11.13 H new ATOM 0 HB3 ASP A 124 -1.938 -14.907 -28.725 1.00 11.13 H new TER 1639 ASP A 124