USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 702 hydrogens (24 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 167 THR OG1 : rot 150:sc= -0.267 USER MOD Set 1.2: A 187 MET CE :methyl 158:sc= -3.11 (180deg=-3.28!) USER MOD Single : A 151 SER OG : rot 180:sc= 0 USER MOD Single : A 153 GLN : amide:sc= -0.421 X(o=-0.42,f=-0.14) USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 163 ASN : amide:sc= -0.492 X(o=-0.49,f=-0.17) USER MOD Single : A 164 LYS NZ :NH3+ -161:sc= -0.0951 (180deg=-0.488) USER MOD Single : A 165 GLN : amide:sc= -0.0995 K(o=-0.099,f=-2.7!) USER MOD Single : A 173 CYS SG : rot 32:sc= 0.122 USER MOD Single : A 176 THR OG1 : rot 180:sc= -0.842 USER MOD Single : A 180 SER OG : rot -96:sc= 0.705 USER MOD Single : A 182 LYS NZ :NH3+ 174:sc= 1.24 (180deg=1.18) USER MOD Single : A 183 LYS NZ :NH3+ 136:sc= -0.149 (180deg=-1.06) USER MOD Single : A 186 MET CE :methyl 171:sc= -2.55 (180deg=-2.93!) USER MOD Single : A 194 CYS SG : rot 180:sc= -2.28! USER MOD Single : A 195 CYS SG : rot 91:sc= -0.268 USER MOD Single : A 198 TYR OH : rot 180:sc= 0 USER MOD Single : A 201 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 205 LYS NZ :NH3+ 178:sc= 0.113 (180deg=0.113) USER MOD Single : A 206 LYS NZ :NH3+ -170:sc= 1.23 (180deg=1.01) USER MOD Single : A 212 THR OG1 : rot 93:sc= 0.164 USER MOD Single : A 215 SER OG : rot -22:sc= 0.129 USER MOD Single : A 218 THR OG1 : rot 180:sc= 0.0289 USER MOD Single : A 223 HIS : no HD1:sc= -0.797 K(o=-0.8,f=-0.18) USER MOD Single : A 229 ASN : amide:sc= -1.3! K(o=-1.3!,f=-0.041) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 151 -26.423 -5.134 -1.089 1.00 6.61 N ATOM 2 CA SER A 151 -25.351 -5.458 -2.049 1.00 6.05 C ATOM 3 C SER A 151 -23.996 -5.374 -1.363 1.00 5.15 C ATOM 4 O SER A 151 -23.641 -4.334 -0.801 1.00 5.07 O ATOM 5 CB SER A 151 -25.395 -4.502 -3.245 1.00 6.53 C ATOM 6 OG SER A 151 -24.367 -4.795 -4.182 1.00 7.11 O ATOM 0 HA SER A 151 -25.504 -6.474 -2.412 1.00 6.05 H new ATOM 0 HB2 SER A 151 -26.366 -4.574 -3.734 1.00 6.53 H new ATOM 0 HB3 SER A 151 -25.289 -3.475 -2.896 1.00 6.53 H new ATOM 0 HG SER A 151 -24.422 -4.169 -4.934 1.00 7.11 H new ATOM 12 N PRO A 152 -23.235 -6.479 -1.373 1.00 4.86 N ATOM 13 CA PRO A 152 -21.889 -6.521 -0.799 1.00 4.47 C ATOM 14 C PRO A 152 -20.958 -5.517 -1.464 1.00 4.11 C ATOM 15 O PRO A 152 -20.517 -5.717 -2.600 1.00 4.17 O ATOM 16 CB PRO A 152 -21.417 -7.951 -1.077 1.00 4.91 C ATOM 17 CG PRO A 152 -22.668 -8.728 -1.279 1.00 5.35 C ATOM 18 CD PRO A 152 -23.632 -7.783 -1.929 1.00 5.39 C ATOM 0 HA PRO A 152 -21.889 -6.264 0.260 1.00 4.47 H new ATOM 0 HB2 PRO A 152 -20.778 -7.993 -1.959 1.00 4.91 H new ATOM 0 HB3 PRO A 152 -20.836 -8.345 -0.243 1.00 4.91 H new ATOM 0 HG2 PRO A 152 -22.490 -9.600 -1.908 1.00 5.35 H new ATOM 0 HG3 PRO A 152 -23.059 -9.094 -0.330 1.00 5.35 H new ATOM 0 HD2 PRO A 152 -23.547 -7.802 -3.016 1.00 5.39 H new ATOM 0 HD3 PRO A 152 -24.666 -8.029 -1.686 1.00 5.39 H new ATOM 26 N GLN A 153 -20.679 -4.430 -0.768 1.00 3.91 N ATOM 27 CA GLN A 153 -19.796 -3.407 -1.287 1.00 3.65 C ATOM 28 C GLN A 153 -18.447 -3.501 -0.598 1.00 3.35 C ATOM 29 O GLN A 153 -18.279 -3.034 0.529 1.00 3.36 O ATOM 30 CB GLN A 153 -20.401 -2.022 -1.079 1.00 3.78 C ATOM 31 CG GLN A 153 -19.711 -0.947 -1.891 1.00 4.13 C ATOM 32 CD GLN A 153 -19.936 -1.111 -3.380 1.00 4.41 C ATOM 33 OE1 GLN A 153 -20.903 -0.589 -3.933 1.00 4.68 O ATOM 34 NE2 GLN A 153 -19.043 -1.831 -4.042 1.00 4.84 N ATOM 0 H GLN A 153 -21.053 -4.235 0.160 1.00 3.91 H new ATOM 0 HA GLN A 153 -19.663 -3.564 -2.357 1.00 3.65 H new ATOM 0 HB2 GLN A 153 -21.457 -2.049 -1.346 1.00 3.78 H new ATOM 0 HB3 GLN A 153 -20.346 -1.763 -0.022 1.00 3.78 H new ATOM 0 HG2 GLN A 153 -20.076 0.031 -1.577 1.00 4.13 H new ATOM 0 HG3 GLN A 153 -18.641 -0.970 -1.684 1.00 4.13 H new ATOM 0 HE21 GLN A 153 -18.255 -2.247 -3.546 1.00 4.84 H new ATOM 0 HE22 GLN A 153 -19.143 -1.969 -5.048 1.00 4.84 H new ATOM 43 N LYS A 154 -17.495 -4.122 -1.264 1.00 3.20 N ATOM 44 CA LYS A 154 -16.170 -4.284 -0.703 1.00 2.97 C ATOM 45 C LYS A 154 -15.284 -3.110 -1.095 1.00 2.72 C ATOM 46 O LYS A 154 -15.073 -2.849 -2.280 1.00 2.70 O ATOM 47 CB LYS A 154 -15.538 -5.591 -1.178 1.00 3.06 C ATOM 48 CG LYS A 154 -14.308 -5.988 -0.384 1.00 2.92 C ATOM 49 CD LYS A 154 -14.685 -6.386 1.028 1.00 3.32 C ATOM 50 CE LYS A 154 -13.483 -6.868 1.815 1.00 3.83 C ATOM 51 NZ LYS A 154 -13.865 -7.294 3.184 1.00 4.47 N ATOM 0 H LYS A 154 -17.614 -4.523 -2.194 1.00 3.20 H new ATOM 0 HA LYS A 154 -16.262 -4.315 0.383 1.00 2.97 H new ATOM 0 HB2 LYS A 154 -16.278 -6.389 -1.112 1.00 3.06 H new ATOM 0 HB3 LYS A 154 -15.267 -5.494 -2.229 1.00 3.06 H new ATOM 0 HG2 LYS A 154 -13.803 -6.818 -0.878 1.00 2.92 H new ATOM 0 HG3 LYS A 154 -13.603 -5.157 -0.357 1.00 2.92 H new ATOM 0 HD2 LYS A 154 -15.136 -5.535 1.538 1.00 3.32 H new ATOM 0 HD3 LYS A 154 -15.438 -7.173 0.995 1.00 3.32 H new ATOM 0 HE2 LYS A 154 -13.014 -7.701 1.291 1.00 3.83 H new ATOM 0 HE3 LYS A 154 -12.742 -6.071 1.874 1.00 3.83 H new ATOM 0 HZ1 LYS A 154 -13.019 -7.618 3.695 1.00 4.47 H new ATOM 0 HZ2 LYS A 154 -14.290 -6.492 3.691 1.00 4.47 H new ATOM 0 HZ3 LYS A 154 -14.554 -8.071 3.126 1.00 4.47 H new ATOM 65 N PRO A 155 -14.770 -2.376 -0.104 1.00 2.57 N ATOM 66 CA PRO A 155 -13.865 -1.263 -0.345 1.00 2.35 C ATOM 67 C PRO A 155 -12.435 -1.743 -0.582 1.00 2.15 C ATOM 68 O PRO A 155 -11.974 -2.675 0.073 1.00 2.14 O ATOM 69 CB PRO A 155 -13.965 -0.453 0.947 1.00 2.38 C ATOM 70 CG PRO A 155 -14.313 -1.438 2.009 1.00 2.54 C ATOM 71 CD PRO A 155 -15.029 -2.578 1.334 1.00 2.69 C ATOM 0 HA PRO A 155 -14.124 -0.691 -1.236 1.00 2.35 H new ATOM 0 HB2 PRO A 155 -13.023 0.048 1.170 1.00 2.38 H new ATOM 0 HB3 PRO A 155 -14.727 0.322 0.866 1.00 2.38 H new ATOM 0 HG2 PRO A 155 -13.415 -1.792 2.516 1.00 2.54 H new ATOM 0 HG3 PRO A 155 -14.947 -0.979 2.768 1.00 2.54 H new ATOM 0 HD2 PRO A 155 -14.650 -3.542 1.674 1.00 2.69 H new ATOM 0 HD3 PRO A 155 -16.097 -2.561 1.551 1.00 2.69 H new ATOM 79 N ILE A 156 -11.739 -1.117 -1.521 1.00 2.02 N ATOM 80 CA ILE A 156 -10.364 -1.491 -1.838 1.00 1.83 C ATOM 81 C ILE A 156 -9.495 -0.258 -2.056 1.00 1.65 C ATOM 82 O ILE A 156 -10.000 0.838 -2.297 1.00 1.71 O ATOM 83 CB ILE A 156 -10.277 -2.407 -3.088 1.00 1.96 C ATOM 84 CG1 ILE A 156 -11.176 -1.911 -4.232 1.00 2.15 C ATOM 85 CG2 ILE A 156 -10.619 -3.844 -2.722 1.00 2.13 C ATOM 86 CD1 ILE A 156 -10.635 -0.712 -4.976 1.00 2.11 C ATOM 0 H ILE A 156 -12.104 -0.345 -2.079 1.00 2.02 H new ATOM 0 HA ILE A 156 -9.993 -2.049 -0.979 1.00 1.83 H new ATOM 0 HB ILE A 156 -9.248 -2.370 -3.446 1.00 1.96 H new ATOM 0 HG12 ILE A 156 -11.325 -2.726 -4.940 1.00 2.15 H new ATOM 0 HG13 ILE A 156 -12.155 -1.659 -3.825 1.00 2.15 H new ATOM 0 HG21 ILE A 156 -10.553 -4.471 -3.611 1.00 2.13 H new ATOM 0 HG22 ILE A 156 -9.917 -4.205 -1.970 1.00 2.13 H new ATOM 0 HG23 ILE A 156 -11.632 -3.886 -2.323 1.00 2.13 H new ATOM 0 HD11 ILE A 156 -11.331 -0.429 -5.765 1.00 2.11 H new ATOM 0 HD12 ILE A 156 -10.513 0.121 -4.284 1.00 2.11 H new ATOM 0 HD13 ILE A 156 -9.670 -0.962 -5.416 1.00 2.11 H new ATOM 98 N VAL A 157 -8.195 -0.443 -1.946 1.00 1.45 N ATOM 99 CA VAL A 157 -7.235 0.574 -2.314 1.00 1.29 C ATOM 100 C VAL A 157 -6.124 -0.063 -3.133 1.00 1.25 C ATOM 101 O VAL A 157 -5.536 -1.074 -2.746 1.00 1.18 O ATOM 102 CB VAL A 157 -6.666 1.331 -1.091 1.00 1.14 C ATOM 103 CG1 VAL A 157 -6.389 0.389 0.063 1.00 1.44 C ATOM 104 CG2 VAL A 157 -5.412 2.101 -1.469 1.00 1.67 C ATOM 0 H VAL A 157 -7.775 -1.305 -1.598 1.00 1.45 H new ATOM 0 HA VAL A 157 -7.750 1.324 -2.914 1.00 1.29 H new ATOM 0 HB VAL A 157 -7.422 2.044 -0.763 1.00 1.14 H new ATOM 0 HG11 VAL A 157 -5.990 0.954 0.906 1.00 1.44 H new ATOM 0 HG12 VAL A 157 -7.315 -0.103 0.361 1.00 1.44 H new ATOM 0 HG13 VAL A 157 -5.663 -0.362 -0.247 1.00 1.44 H new ATOM 0 HG21 VAL A 157 -5.029 2.626 -0.593 1.00 1.67 H new ATOM 0 HG22 VAL A 157 -4.656 1.407 -1.836 1.00 1.67 H new ATOM 0 HG23 VAL A 157 -5.650 2.824 -2.250 1.00 1.67 H new ATOM 114 N ARG A 158 -5.881 0.518 -4.285 1.00 1.38 N ATOM 115 CA ARG A 158 -4.995 -0.059 -5.274 1.00 1.47 C ATOM 116 C ARG A 158 -3.559 0.389 -5.055 1.00 1.29 C ATOM 117 O ARG A 158 -3.198 1.537 -5.298 1.00 1.32 O ATOM 118 CB ARG A 158 -5.509 0.316 -6.651 1.00 1.78 C ATOM 119 CG ARG A 158 -6.945 -0.154 -6.854 1.00 2.00 C ATOM 120 CD ARG A 158 -7.652 0.621 -7.952 1.00 2.31 C ATOM 121 NE ARG A 158 -7.935 2.000 -7.549 1.00 2.65 N ATOM 122 CZ ARG A 158 -8.236 2.978 -8.400 1.00 2.95 C ATOM 123 NH1 ARG A 158 -8.246 2.748 -9.706 1.00 3.05 N ATOM 124 NH2 ARG A 158 -8.523 4.190 -7.944 1.00 3.61 N ATOM 0 H ARG A 158 -6.293 1.408 -4.565 1.00 1.38 H new ATOM 0 HA ARG A 158 -4.988 -1.145 -5.181 1.00 1.47 H new ATOM 0 HB2 ARG A 158 -5.457 1.397 -6.779 1.00 1.78 H new ATOM 0 HB3 ARG A 158 -4.868 -0.127 -7.414 1.00 1.78 H new ATOM 0 HG2 ARG A 158 -6.947 -1.215 -7.102 1.00 2.00 H new ATOM 0 HG3 ARG A 158 -7.497 -0.044 -5.921 1.00 2.00 H new ATOM 0 HD2 ARG A 158 -7.034 0.624 -8.850 1.00 2.31 H new ATOM 0 HD3 ARG A 158 -8.585 0.119 -8.209 1.00 2.31 H new ATOM 0 HE ARG A 158 -7.899 2.225 -6.555 1.00 2.65 H new ATOM 0 HH11 ARG A 158 -8.022 1.819 -10.062 1.00 3.05 H new ATOM 0 HH12 ARG A 158 -8.477 3.500 -10.355 1.00 3.05 H new ATOM 0 HH21 ARG A 158 -8.513 4.373 -6.941 1.00 3.61 H new ATOM 0 HH22 ARG A 158 -8.754 4.939 -8.597 1.00 3.61 H new ATOM 138 N VAL A 159 -2.757 -0.542 -4.585 1.00 1.17 N ATOM 139 CA VAL A 159 -1.390 -0.278 -4.183 1.00 1.00 C ATOM 140 C VAL A 159 -0.402 -0.628 -5.289 1.00 1.24 C ATOM 141 O VAL A 159 -0.357 -1.754 -5.745 1.00 1.40 O ATOM 142 CB VAL A 159 -1.059 -1.110 -2.935 1.00 0.77 C ATOM 143 CG1 VAL A 159 0.420 -1.038 -2.615 1.00 0.79 C ATOM 144 CG2 VAL A 159 -1.883 -0.640 -1.752 1.00 0.68 C ATOM 0 H VAL A 159 -3.038 -1.516 -4.469 1.00 1.17 H new ATOM 0 HA VAL A 159 -1.301 0.787 -3.970 1.00 1.00 H new ATOM 0 HB VAL A 159 -1.310 -2.150 -3.142 1.00 0.77 H new ATOM 0 HG11 VAL A 159 0.630 -1.635 -1.727 1.00 0.79 H new ATOM 0 HG12 VAL A 159 0.994 -1.426 -3.457 1.00 0.79 H new ATOM 0 HG13 VAL A 159 0.702 -0.002 -2.430 1.00 0.79 H new ATOM 0 HG21 VAL A 159 -1.637 -1.240 -0.876 1.00 0.68 H new ATOM 0 HG22 VAL A 159 -1.662 0.408 -1.548 1.00 0.68 H new ATOM 0 HG23 VAL A 159 -2.943 -0.750 -1.980 1.00 0.68 H new ATOM 154 N PHE A 160 0.397 0.329 -5.712 1.00 1.35 N ATOM 155 CA PHE A 160 1.394 0.070 -6.738 1.00 1.60 C ATOM 156 C PHE A 160 2.705 -0.351 -6.106 1.00 1.50 C ATOM 157 O PHE A 160 3.447 0.474 -5.588 1.00 1.42 O ATOM 158 CB PHE A 160 1.574 1.293 -7.638 1.00 1.81 C ATOM 159 CG PHE A 160 0.400 1.508 -8.548 1.00 2.01 C ATOM 160 CD1 PHE A 160 -0.867 1.622 -8.016 1.00 1.91 C ATOM 161 CD2 PHE A 160 0.559 1.593 -9.919 1.00 2.34 C ATOM 162 CE1 PHE A 160 -1.966 1.812 -8.824 1.00 2.13 C ATOM 163 CE2 PHE A 160 -0.537 1.784 -10.741 1.00 2.54 C ATOM 164 CZ PHE A 160 -1.801 1.891 -10.190 1.00 2.44 C ATOM 0 H PHE A 160 0.379 1.288 -5.366 1.00 1.35 H new ATOM 0 HA PHE A 160 1.045 -0.751 -7.365 1.00 1.60 H new ATOM 0 HB2 PHE A 160 1.718 2.179 -7.019 1.00 1.81 H new ATOM 0 HB3 PHE A 160 2.477 1.171 -8.236 1.00 1.81 H new ATOM 0 HD1 PHE A 160 -1.000 1.561 -6.946 1.00 1.91 H new ATOM 0 HD2 PHE A 160 1.545 1.510 -10.351 1.00 2.34 H new ATOM 0 HE1 PHE A 160 -2.951 1.899 -8.390 1.00 2.13 H new ATOM 0 HE2 PHE A 160 -0.406 1.849 -11.811 1.00 2.54 H new ATOM 0 HZ PHE A 160 -2.659 2.036 -10.830 1.00 2.44 H new ATOM 174 N LEU A 161 2.974 -1.647 -6.152 1.00 1.56 N ATOM 175 CA LEU A 161 4.142 -2.219 -5.507 1.00 1.52 C ATOM 176 C LEU A 161 5.423 -1.768 -6.191 1.00 1.73 C ATOM 177 O LEU A 161 5.386 -1.163 -7.266 1.00 1.95 O ATOM 178 CB LEU A 161 4.096 -3.753 -5.558 1.00 1.63 C ATOM 179 CG LEU A 161 2.726 -4.413 -5.421 1.00 1.54 C ATOM 180 CD1 LEU A 161 1.874 -3.754 -4.358 1.00 2.07 C ATOM 181 CD2 LEU A 161 2.026 -4.487 -6.761 1.00 1.85 C ATOM 0 H LEU A 161 2.390 -2.328 -6.636 1.00 1.56 H new ATOM 0 HA LEU A 161 4.133 -1.875 -4.473 1.00 1.52 H new ATOM 0 HB2 LEU A 161 4.533 -4.073 -6.504 1.00 1.63 H new ATOM 0 HB3 LEU A 161 4.737 -4.137 -4.765 1.00 1.63 H new ATOM 0 HG LEU A 161 2.886 -5.436 -5.080 1.00 1.54 H new ATOM 0 HD11 LEU A 161 0.910 -4.259 -4.299 1.00 2.07 H new ATOM 0 HD12 LEU A 161 2.378 -3.821 -3.394 1.00 2.07 H new ATOM 0 HD13 LEU A 161 1.719 -2.706 -4.614 1.00 2.07 H new ATOM 0 HD21 LEU A 161 1.052 -4.961 -6.637 1.00 1.85 H new ATOM 0 HD22 LEU A 161 1.892 -3.481 -7.157 1.00 1.85 H new ATOM 0 HD23 LEU A 161 2.629 -5.073 -7.455 1.00 1.85 H new ATOM 193 N PRO A 162 6.577 -2.054 -5.571 1.00 1.72 N ATOM 194 CA PRO A 162 7.866 -1.955 -6.248 1.00 1.96 C ATOM 195 C PRO A 162 7.837 -2.753 -7.553 1.00 2.24 C ATOM 196 O PRO A 162 7.038 -3.688 -7.684 1.00 2.27 O ATOM 197 CB PRO A 162 8.844 -2.569 -5.244 1.00 1.92 C ATOM 198 CG PRO A 162 8.193 -2.378 -3.916 1.00 1.65 C ATOM 199 CD PRO A 162 6.715 -2.462 -4.161 1.00 1.51 C ATOM 0 HA PRO A 162 8.137 -0.936 -6.523 1.00 1.96 H new ATOM 0 HB2 PRO A 162 9.015 -3.625 -5.453 1.00 1.92 H new ATOM 0 HB3 PRO A 162 9.815 -2.075 -5.284 1.00 1.92 H new ATOM 0 HG2 PRO A 162 8.515 -3.144 -3.210 1.00 1.65 H new ATOM 0 HG3 PRO A 162 8.462 -1.414 -3.485 1.00 1.65 H new ATOM 0 HD2 PRO A 162 6.337 -3.471 -3.996 1.00 1.51 H new ATOM 0 HD3 PRO A 162 6.159 -1.801 -3.496 1.00 1.51 H new ATOM 207 N ASN A 163 8.688 -2.373 -8.509 1.00 2.48 N ATOM 208 CA ASN A 163 8.692 -2.964 -9.859 1.00 2.78 C ATOM 209 C ASN A 163 7.546 -2.370 -10.694 1.00 2.84 C ATOM 210 O ASN A 163 7.228 -2.844 -11.786 1.00 3.05 O ATOM 211 CB ASN A 163 8.615 -4.505 -9.789 1.00 2.88 C ATOM 212 CG ASN A 163 8.844 -5.198 -11.120 1.00 3.09 C ATOM 213 OD1 ASN A 163 9.983 -5.450 -11.511 1.00 3.40 O ATOM 214 ND2 ASN A 163 7.765 -5.554 -11.799 1.00 3.47 N ATOM 0 H ASN A 163 9.394 -1.649 -8.375 1.00 2.48 H new ATOM 0 HA ASN A 163 9.632 -2.716 -10.352 1.00 2.78 H new ATOM 0 HB2 ASN A 163 9.355 -4.863 -9.073 1.00 2.88 H new ATOM 0 HB3 ASN A 163 7.636 -4.792 -9.406 1.00 2.88 H new ATOM 0 HD21 ASN A 163 7.861 -6.057 -12.681 1.00 3.47 H new ATOM 0 HD22 ASN A 163 6.838 -5.326 -11.440 1.00 3.47 H new ATOM 221 N LYS A 164 6.936 -1.313 -10.154 1.00 2.69 N ATOM 222 CA LYS A 164 5.928 -0.516 -10.862 1.00 2.78 C ATOM 223 C LYS A 164 4.687 -1.325 -11.232 1.00 2.78 C ATOM 224 O LYS A 164 4.053 -1.075 -12.259 1.00 3.01 O ATOM 225 CB LYS A 164 6.541 0.122 -12.110 1.00 3.11 C ATOM 226 CG LYS A 164 7.680 1.073 -11.791 1.00 3.16 C ATOM 227 CD LYS A 164 7.195 2.333 -11.089 1.00 3.36 C ATOM 228 CE LYS A 164 6.382 3.222 -12.017 1.00 3.97 C ATOM 229 NZ LYS A 164 7.148 3.609 -13.234 1.00 4.66 N ATOM 0 H LYS A 164 7.127 -0.983 -9.208 1.00 2.69 H new ATOM 0 HA LYS A 164 5.600 0.265 -10.176 1.00 2.78 H new ATOM 0 HB2 LYS A 164 6.906 -0.664 -12.771 1.00 3.11 H new ATOM 0 HB3 LYS A 164 5.766 0.662 -12.654 1.00 3.11 H new ATOM 0 HG2 LYS A 164 8.410 0.565 -11.160 1.00 3.16 H new ATOM 0 HG3 LYS A 164 8.192 1.347 -12.713 1.00 3.16 H new ATOM 0 HD2 LYS A 164 6.588 2.057 -10.227 1.00 3.36 H new ATOM 0 HD3 LYS A 164 8.052 2.890 -10.711 1.00 3.36 H new ATOM 0 HE2 LYS A 164 5.472 2.701 -12.313 1.00 3.97 H new ATOM 0 HE3 LYS A 164 6.075 4.120 -11.481 1.00 3.97 H new ATOM 0 HZ1 LYS A 164 6.709 4.445 -13.670 1.00 4.66 H new ATOM 0 HZ2 LYS A 164 8.129 3.831 -12.971 1.00 4.66 H new ATOM 0 HZ3 LYS A 164 7.142 2.821 -13.913 1.00 4.66 H new ATOM 243 N GLN A 165 4.340 -2.285 -10.393 1.00 2.56 N ATOM 244 CA GLN A 165 3.136 -3.065 -10.572 1.00 2.56 C ATOM 245 C GLN A 165 2.066 -2.567 -9.622 1.00 2.31 C ATOM 246 O GLN A 165 2.301 -1.626 -8.877 1.00 2.15 O ATOM 247 CB GLN A 165 3.439 -4.524 -10.292 1.00 2.53 C ATOM 248 CG GLN A 165 3.567 -5.363 -11.551 1.00 2.86 C ATOM 249 CD GLN A 165 3.926 -6.803 -11.263 1.00 3.08 C ATOM 250 OE1 GLN A 165 4.586 -7.099 -10.275 1.00 3.33 O ATOM 251 NE2 GLN A 165 3.502 -7.705 -12.131 1.00 3.57 N ATOM 0 H GLN A 165 4.886 -2.543 -9.571 1.00 2.56 H new ATOM 0 HA GLN A 165 2.779 -2.962 -11.597 1.00 2.56 H new ATOM 0 HB2 GLN A 165 4.366 -4.593 -9.722 1.00 2.53 H new ATOM 0 HB3 GLN A 165 2.649 -4.938 -9.666 1.00 2.53 H new ATOM 0 HG2 GLN A 165 2.626 -5.331 -12.100 1.00 2.86 H new ATOM 0 HG3 GLN A 165 4.328 -4.926 -12.197 1.00 2.86 H new ATOM 0 HE21 GLN A 165 2.954 -7.415 -12.941 1.00 3.57 H new ATOM 0 HE22 GLN A 165 3.722 -8.691 -11.991 1.00 3.57 H new ATOM 260 N ARG A 166 0.898 -3.188 -9.632 1.00 2.31 N ATOM 261 CA ARG A 166 -0.124 -2.835 -8.683 1.00 2.09 C ATOM 262 C ARG A 166 -0.841 -4.065 -8.161 1.00 2.04 C ATOM 263 O ARG A 166 -1.119 -5.010 -8.896 1.00 2.28 O ATOM 264 CB ARG A 166 -1.135 -1.862 -9.280 1.00 2.22 C ATOM 265 CG ARG A 166 -2.102 -2.496 -10.248 1.00 2.51 C ATOM 266 CD ARG A 166 -3.263 -1.571 -10.559 1.00 2.64 C ATOM 267 NE ARG A 166 -4.226 -2.197 -11.464 1.00 2.98 N ATOM 268 CZ ARG A 166 -5.509 -1.840 -11.561 1.00 3.20 C ATOM 269 NH1 ARG A 166 -5.975 -0.811 -10.870 1.00 3.17 N ATOM 270 NH2 ARG A 166 -6.317 -2.500 -12.377 1.00 3.54 N ATOM 0 H ARG A 166 0.643 -3.931 -10.283 1.00 2.31 H new ATOM 0 HA ARG A 166 0.377 -2.342 -7.850 1.00 2.09 H new ATOM 0 HB2 ARG A 166 -1.699 -1.399 -8.470 1.00 2.22 H new ATOM 0 HB3 ARG A 166 -0.597 -1.064 -9.791 1.00 2.22 H new ATOM 0 HG2 ARG A 166 -1.581 -2.750 -11.171 1.00 2.51 H new ATOM 0 HG3 ARG A 166 -2.480 -3.428 -9.828 1.00 2.51 H new ATOM 0 HD2 ARG A 166 -3.764 -1.291 -9.632 1.00 2.64 H new ATOM 0 HD3 ARG A 166 -2.886 -0.652 -11.008 1.00 2.64 H new ATOM 0 HE ARG A 166 -3.896 -2.956 -12.060 1.00 2.98 H new ATOM 0 HH11 ARG A 166 -5.352 -0.284 -10.258 1.00 3.17 H new ATOM 0 HH12 ARG A 166 -6.957 -0.545 -10.950 1.00 3.17 H new ATOM 0 HH21 ARG A 166 -5.959 -3.279 -12.929 1.00 3.54 H new ATOM 0 HH22 ARG A 166 -7.297 -2.229 -12.453 1.00 3.54 H new ATOM 284 N THR A 167 -1.070 -4.049 -6.870 1.00 1.77 N ATOM 285 CA THR A 167 -1.895 -5.005 -6.206 1.00 1.75 C ATOM 286 C THR A 167 -2.888 -4.222 -5.358 1.00 1.63 C ATOM 287 O THR A 167 -2.503 -3.317 -4.618 1.00 1.62 O ATOM 288 CB THR A 167 -1.035 -5.956 -5.348 1.00 1.62 C ATOM 289 OG1 THR A 167 -1.139 -7.297 -5.838 1.00 1.91 O ATOM 290 CG2 THR A 167 -1.425 -5.909 -3.888 1.00 1.47 C ATOM 0 H THR A 167 -0.673 -3.349 -6.244 1.00 1.77 H new ATOM 0 HA THR A 167 -2.429 -5.632 -6.921 1.00 1.75 H new ATOM 0 HB THR A 167 -0.001 -5.619 -5.426 1.00 1.62 H new ATOM 0 HG1 THR A 167 -0.305 -7.778 -5.655 1.00 1.91 H new ATOM 0 HG21 THR A 167 -0.794 -6.594 -3.321 1.00 1.47 H new ATOM 0 HG22 THR A 167 -1.293 -4.896 -3.509 1.00 1.47 H new ATOM 0 HG23 THR A 167 -2.469 -6.204 -3.781 1.00 1.47 H new ATOM 298 N VAL A 168 -4.161 -4.502 -5.506 1.00 1.71 N ATOM 299 CA VAL A 168 -5.154 -3.767 -4.757 1.00 1.63 C ATOM 300 C VAL A 168 -5.492 -4.543 -3.495 1.00 1.55 C ATOM 301 O VAL A 168 -5.594 -5.767 -3.523 1.00 1.69 O ATOM 302 CB VAL A 168 -6.411 -3.456 -5.616 1.00 1.90 C ATOM 303 CG1 VAL A 168 -6.048 -3.426 -7.090 1.00 2.22 C ATOM 304 CG2 VAL A 168 -7.556 -4.419 -5.386 1.00 2.31 C ATOM 0 H VAL A 168 -4.530 -5.221 -6.128 1.00 1.71 H new ATOM 0 HA VAL A 168 -4.747 -2.797 -4.472 1.00 1.63 H new ATOM 0 HB VAL A 168 -6.761 -2.475 -5.296 1.00 1.90 H new ATOM 0 HG11 VAL A 168 -6.938 -3.207 -7.680 1.00 2.22 H new ATOM 0 HG12 VAL A 168 -5.298 -2.654 -7.264 1.00 2.22 H new ATOM 0 HG13 VAL A 168 -5.646 -4.395 -7.386 1.00 2.22 H new ATOM 0 HG21 VAL A 168 -8.399 -4.140 -6.019 1.00 2.31 H new ATOM 0 HG22 VAL A 168 -7.236 -5.431 -5.633 1.00 2.31 H new ATOM 0 HG23 VAL A 168 -7.860 -4.380 -4.340 1.00 2.31 H new ATOM 314 N VAL A 169 -5.570 -3.850 -2.377 1.00 1.38 N ATOM 315 CA VAL A 169 -5.918 -4.496 -1.126 1.00 1.41 C ATOM 316 C VAL A 169 -7.205 -3.894 -0.572 1.00 1.50 C ATOM 317 O VAL A 169 -7.356 -2.673 -0.525 1.00 1.41 O ATOM 318 CB VAL A 169 -4.768 -4.397 -0.085 1.00 1.24 C ATOM 319 CG1 VAL A 169 -4.502 -2.956 0.326 1.00 1.57 C ATOM 320 CG2 VAL A 169 -5.058 -5.259 1.137 1.00 1.67 C ATOM 0 H VAL A 169 -5.399 -2.847 -2.308 1.00 1.38 H new ATOM 0 HA VAL A 169 -6.077 -5.556 -1.326 1.00 1.41 H new ATOM 0 HB VAL A 169 -3.866 -4.776 -0.566 1.00 1.24 H new ATOM 0 HG11 VAL A 169 -3.692 -2.929 1.054 1.00 1.57 H new ATOM 0 HG12 VAL A 169 -4.221 -2.373 -0.551 1.00 1.57 H new ATOM 0 HG13 VAL A 169 -5.403 -2.532 0.770 1.00 1.57 H new ATOM 0 HG21 VAL A 169 -4.237 -5.170 1.848 1.00 1.67 H new ATOM 0 HG22 VAL A 169 -5.983 -4.925 1.607 1.00 1.67 H new ATOM 0 HG23 VAL A 169 -5.162 -6.300 0.831 1.00 1.67 H new ATOM 330 N PRO A 170 -8.186 -4.745 -0.228 1.00 1.73 N ATOM 331 CA PRO A 170 -9.425 -4.309 0.400 1.00 1.87 C ATOM 332 C PRO A 170 -9.143 -3.447 1.613 1.00 1.79 C ATOM 333 O PRO A 170 -8.296 -3.787 2.438 1.00 1.76 O ATOM 334 CB PRO A 170 -10.131 -5.619 0.792 1.00 2.12 C ATOM 335 CG PRO A 170 -9.100 -6.680 0.629 1.00 2.10 C ATOM 336 CD PRO A 170 -8.191 -6.187 -0.454 1.00 1.90 C ATOM 0 HA PRO A 170 -10.037 -3.694 -0.260 1.00 1.87 H new ATOM 0 HB2 PRO A 170 -10.496 -5.578 1.818 1.00 2.12 H new ATOM 0 HB3 PRO A 170 -10.995 -5.807 0.154 1.00 2.12 H new ATOM 0 HG2 PRO A 170 -8.553 -6.842 1.558 1.00 2.10 H new ATOM 0 HG3 PRO A 170 -9.555 -7.632 0.357 1.00 2.10 H new ATOM 0 HD2 PRO A 170 -7.192 -6.614 -0.371 1.00 1.90 H new ATOM 0 HD3 PRO A 170 -8.565 -6.441 -1.446 1.00 1.90 H new ATOM 344 N ALA A 171 -9.835 -2.321 1.689 1.00 1.82 N ATOM 345 CA ALA A 171 -9.627 -1.359 2.762 1.00 1.82 C ATOM 346 C ALA A 171 -10.002 -1.971 4.101 1.00 2.05 C ATOM 347 O ALA A 171 -11.144 -1.871 4.555 1.00 2.28 O ATOM 348 CB ALA A 171 -10.425 -0.097 2.499 1.00 1.88 C ATOM 0 H ALA A 171 -10.551 -2.049 1.015 1.00 1.82 H new ATOM 0 HA ALA A 171 -8.571 -1.092 2.795 1.00 1.82 H new ATOM 0 HB1 ALA A 171 -10.260 0.613 3.309 1.00 1.88 H new ATOM 0 HB2 ALA A 171 -10.104 0.347 1.556 1.00 1.88 H new ATOM 0 HB3 ALA A 171 -11.485 -0.342 2.442 1.00 1.88 H new ATOM 354 N ARG A 172 -9.026 -2.617 4.712 1.00 2.03 N ATOM 355 CA ARG A 172 -9.229 -3.339 5.948 1.00 2.28 C ATOM 356 C ARG A 172 -9.525 -2.382 7.095 1.00 2.44 C ATOM 357 O ARG A 172 -8.657 -1.622 7.529 1.00 2.39 O ATOM 358 CB ARG A 172 -7.987 -4.180 6.258 1.00 2.23 C ATOM 359 CG ARG A 172 -7.687 -5.247 5.222 1.00 2.18 C ATOM 360 CD ARG A 172 -8.782 -6.296 5.164 1.00 2.43 C ATOM 361 NE ARG A 172 -8.450 -7.382 4.247 1.00 2.82 N ATOM 362 CZ ARG A 172 -9.269 -8.390 3.954 1.00 3.26 C ATOM 363 NH1 ARG A 172 -10.471 -8.462 4.514 1.00 3.26 N ATOM 364 NH2 ARG A 172 -8.877 -9.333 3.109 1.00 3.98 N ATOM 0 H ARG A 172 -8.069 -2.654 4.362 1.00 2.03 H new ATOM 0 HA ARG A 172 -10.090 -3.997 5.833 1.00 2.28 H new ATOM 0 HB2 ARG A 172 -7.125 -3.518 6.342 1.00 2.23 H new ATOM 0 HB3 ARG A 172 -8.118 -4.658 7.229 1.00 2.23 H new ATOM 0 HG2 ARG A 172 -7.576 -4.782 4.242 1.00 2.18 H new ATOM 0 HG3 ARG A 172 -6.736 -5.726 5.457 1.00 2.18 H new ATOM 0 HD2 ARG A 172 -8.948 -6.702 6.162 1.00 2.43 H new ATOM 0 HD3 ARG A 172 -9.715 -5.829 4.850 1.00 2.43 H new ATOM 0 HE ARG A 172 -7.532 -7.368 3.802 1.00 2.82 H new ATOM 0 HH11 ARG A 172 -10.771 -7.743 5.172 1.00 3.26 H new ATOM 0 HH12 ARG A 172 -11.094 -9.236 4.286 1.00 3.26 H new ATOM 0 HH21 ARG A 172 -7.950 -9.285 2.685 1.00 3.98 H new ATOM 0 HH22 ARG A 172 -9.502 -10.107 2.882 1.00 3.98 H new ATOM 378 N CYS A 173 -10.753 -2.423 7.583 1.00 2.68 N ATOM 379 CA CYS A 173 -11.161 -1.580 8.688 1.00 2.89 C ATOM 380 C CYS A 173 -10.639 -2.154 9.997 1.00 3.07 C ATOM 381 O CYS A 173 -10.782 -3.348 10.264 1.00 3.19 O ATOM 382 CB CYS A 173 -12.683 -1.441 8.711 1.00 3.08 C ATOM 383 SG CYS A 173 -13.568 -3.019 8.690 1.00 3.37 S ATOM 0 H CYS A 173 -11.487 -3.036 7.227 1.00 2.68 H new ATOM 0 HA CYS A 173 -10.736 -0.585 8.559 1.00 2.89 H new ATOM 0 HB2 CYS A 173 -12.973 -0.886 9.603 1.00 3.08 H new ATOM 0 HB3 CYS A 173 -12.996 -0.849 7.851 1.00 3.08 H new ATOM 0 HG CYS A 173 -12.867 -3.918 9.316 1.00 3.37 H new ATOM 389 N GLY A 174 -10.012 -1.310 10.801 1.00 3.11 N ATOM 390 CA GLY A 174 -9.361 -1.784 12.005 1.00 3.31 C ATOM 391 C GLY A 174 -7.965 -2.283 11.712 1.00 3.16 C ATOM 392 O GLY A 174 -7.275 -2.805 12.589 1.00 3.34 O ATOM 0 H GLY A 174 -9.942 -0.305 10.642 1.00 3.11 H new ATOM 0 HA2 GLY A 174 -9.316 -0.979 12.738 1.00 3.31 H new ATOM 0 HA3 GLY A 174 -9.951 -2.586 12.449 1.00 3.31 H new ATOM 396 N VAL A 175 -7.554 -2.118 10.466 1.00 2.87 N ATOM 397 CA VAL A 175 -6.246 -2.548 10.014 1.00 2.70 C ATOM 398 C VAL A 175 -5.446 -1.355 9.528 1.00 2.51 C ATOM 399 O VAL A 175 -5.988 -0.412 8.950 1.00 2.45 O ATOM 400 CB VAL A 175 -6.375 -3.626 8.910 1.00 2.53 C ATOM 401 CG1 VAL A 175 -5.272 -3.536 7.864 1.00 2.60 C ATOM 402 CG2 VAL A 175 -6.371 -5.010 9.530 1.00 2.77 C ATOM 0 H VAL A 175 -8.121 -1.681 9.739 1.00 2.87 H new ATOM 0 HA VAL A 175 -5.714 -2.998 10.852 1.00 2.70 H new ATOM 0 HB VAL A 175 -7.322 -3.442 8.402 1.00 2.53 H new ATOM 0 HG11 VAL A 175 -5.415 -4.316 7.116 1.00 2.60 H new ATOM 0 HG12 VAL A 175 -5.308 -2.560 7.381 1.00 2.60 H new ATOM 0 HG13 VAL A 175 -4.303 -3.668 8.345 1.00 2.60 H new ATOM 0 HG21 VAL A 175 -6.462 -5.761 8.745 1.00 2.77 H new ATOM 0 HG22 VAL A 175 -5.438 -5.163 10.072 1.00 2.77 H new ATOM 0 HG23 VAL A 175 -7.210 -5.102 10.219 1.00 2.77 H new ATOM 412 N THR A 176 -4.159 -1.400 9.781 1.00 2.46 N ATOM 413 CA THR A 176 -3.267 -0.340 9.396 1.00 2.32 C ATOM 414 C THR A 176 -2.662 -0.662 8.050 1.00 1.98 C ATOM 415 O THR A 176 -2.870 -1.761 7.525 1.00 1.90 O ATOM 416 CB THR A 176 -2.144 -0.173 10.431 1.00 2.50 C ATOM 417 OG1 THR A 176 -1.632 -1.459 10.799 1.00 2.55 O ATOM 418 CG2 THR A 176 -2.634 0.557 11.672 1.00 2.83 C ATOM 0 H THR A 176 -3.703 -2.176 10.261 1.00 2.46 H new ATOM 0 HA THR A 176 -3.832 0.590 9.340 1.00 2.32 H new ATOM 0 HB THR A 176 -1.354 0.425 9.977 1.00 2.50 H new ATOM 0 HG1 THR A 176 -0.915 -1.349 11.458 1.00 2.55 H new ATOM 0 HG21 THR A 176 -1.814 0.657 12.383 1.00 2.83 H new ATOM 0 HG22 THR A 176 -2.996 1.547 11.393 1.00 2.83 H new ATOM 0 HG23 THR A 176 -3.444 -0.009 12.131 1.00 2.83 H new ATOM 426 N VAL A 177 -1.925 0.276 7.490 1.00 1.82 N ATOM 427 CA VAL A 177 -1.158 0.016 6.285 1.00 1.52 C ATOM 428 C VAL A 177 -0.327 -1.250 6.473 1.00 1.52 C ATOM 429 O VAL A 177 -0.138 -2.024 5.547 1.00 1.33 O ATOM 430 CB VAL A 177 -0.221 1.193 5.965 1.00 1.45 C ATOM 431 CG1 VAL A 177 0.513 0.966 4.660 1.00 1.78 C ATOM 432 CG2 VAL A 177 -0.993 2.499 5.936 1.00 1.92 C ATOM 0 H VAL A 177 -1.840 1.227 7.849 1.00 1.82 H new ATOM 0 HA VAL A 177 -1.854 -0.112 5.456 1.00 1.52 H new ATOM 0 HB VAL A 177 0.525 1.257 6.757 1.00 1.45 H new ATOM 0 HG11 VAL A 177 1.168 1.814 4.459 1.00 1.78 H new ATOM 0 HG12 VAL A 177 1.109 0.056 4.731 1.00 1.78 H new ATOM 0 HG13 VAL A 177 -0.209 0.865 3.849 1.00 1.78 H new ATOM 0 HG21 VAL A 177 -0.312 3.319 5.708 1.00 1.92 H new ATOM 0 HG22 VAL A 177 -1.767 2.447 5.171 1.00 1.92 H new ATOM 0 HG23 VAL A 177 -1.455 2.670 6.908 1.00 1.92 H new ATOM 442 N ARG A 178 0.120 -1.460 7.705 1.00 1.79 N ATOM 443 CA ARG A 178 0.928 -2.608 8.066 1.00 1.88 C ATOM 444 C ARG A 178 0.342 -3.930 7.567 1.00 1.85 C ATOM 445 O ARG A 178 0.961 -4.597 6.745 1.00 1.73 O ATOM 446 CB ARG A 178 1.100 -2.636 9.585 1.00 2.23 C ATOM 447 CG ARG A 178 1.928 -3.796 10.097 1.00 2.43 C ATOM 448 CD ARG A 178 3.289 -3.842 9.430 1.00 2.70 C ATOM 449 NE ARG A 178 4.132 -4.910 9.971 1.00 3.12 N ATOM 450 CZ ARG A 178 5.460 -4.839 10.065 1.00 3.76 C ATOM 451 NH1 ARG A 178 6.101 -3.757 9.644 1.00 4.24 N ATOM 452 NH2 ARG A 178 6.149 -5.849 10.583 1.00 4.27 N ATOM 0 H ARG A 178 -0.072 -0.831 8.485 1.00 1.79 H new ATOM 0 HA ARG A 178 1.896 -2.502 7.577 1.00 1.88 H new ATOM 0 HB2 ARG A 178 1.566 -1.704 9.903 1.00 2.23 H new ATOM 0 HB3 ARG A 178 0.115 -2.675 10.050 1.00 2.23 H new ATOM 0 HG2 ARG A 178 2.053 -3.707 11.176 1.00 2.43 H new ATOM 0 HG3 ARG A 178 1.399 -4.731 9.913 1.00 2.43 H new ATOM 0 HD2 ARG A 178 3.162 -3.989 8.358 1.00 2.70 H new ATOM 0 HD3 ARG A 178 3.790 -2.883 9.563 1.00 2.70 H new ATOM 0 HE ARG A 178 3.675 -5.762 10.296 1.00 3.12 H new ATOM 0 HH11 ARG A 178 5.578 -2.976 9.247 1.00 4.24 H new ATOM 0 HH12 ARG A 178 7.117 -3.705 9.717 1.00 4.24 H new ATOM 0 HH21 ARG A 178 5.662 -6.683 10.911 1.00 4.27 H new ATOM 0 HH22 ARG A 178 7.165 -5.791 10.653 1.00 4.27 H new ATOM 466 N ASP A 179 -0.846 -4.298 8.034 1.00 2.00 N ATOM 467 CA ASP A 179 -1.393 -5.623 7.724 1.00 2.07 C ATOM 468 C ASP A 179 -1.915 -5.690 6.300 1.00 1.81 C ATOM 469 O ASP A 179 -1.783 -6.712 5.608 1.00 1.77 O ATOM 470 CB ASP A 179 -2.508 -6.009 8.692 1.00 2.32 C ATOM 471 CG ASP A 179 -2.799 -7.499 8.648 1.00 2.51 C ATOM 472 OD1 ASP A 179 -3.681 -7.917 7.870 1.00 2.78 O ATOM 473 OD2 ASP A 179 -2.133 -8.264 9.383 1.00 2.87 O ATOM 0 H ASP A 179 -1.443 -3.713 8.619 1.00 2.00 H new ATOM 0 HA ASP A 179 -0.572 -6.332 7.832 1.00 2.07 H new ATOM 0 HB2 ASP A 179 -2.225 -5.723 9.705 1.00 2.32 H new ATOM 0 HB3 ASP A 179 -3.413 -5.454 8.445 1.00 2.32 H new ATOM 478 N SER A 180 -2.491 -4.599 5.856 1.00 1.66 N ATOM 479 CA SER A 180 -3.058 -4.550 4.530 1.00 1.46 C ATOM 480 C SER A 180 -1.961 -4.681 3.488 1.00 1.22 C ATOM 481 O SER A 180 -2.033 -5.508 2.568 1.00 1.22 O ATOM 482 CB SER A 180 -3.810 -3.245 4.375 1.00 1.40 C ATOM 483 OG SER A 180 -3.081 -2.171 4.941 1.00 1.99 O ATOM 0 H SER A 180 -2.579 -3.735 6.392 1.00 1.66 H new ATOM 0 HA SER A 180 -3.750 -5.380 4.384 1.00 1.46 H new ATOM 0 HB2 SER A 180 -3.992 -3.049 3.318 1.00 1.40 H new ATOM 0 HB3 SER A 180 -4.784 -3.323 4.858 1.00 1.40 H new ATOM 0 HG SER A 180 -3.397 -2.006 5.854 1.00 1.99 H new ATOM 489 N LEU A 181 -0.933 -3.877 3.650 1.00 1.10 N ATOM 490 CA LEU A 181 0.221 -3.954 2.804 1.00 0.92 C ATOM 491 C LEU A 181 1.002 -5.235 3.039 1.00 1.10 C ATOM 492 O LEU A 181 1.774 -5.644 2.180 1.00 1.07 O ATOM 493 CB LEU A 181 1.110 -2.759 3.052 1.00 0.85 C ATOM 494 CG LEU A 181 0.831 -1.537 2.190 1.00 0.68 C ATOM 495 CD1 LEU A 181 1.419 -1.731 0.808 1.00 0.94 C ATOM 496 CD2 LEU A 181 -0.663 -1.250 2.096 1.00 1.34 C ATOM 0 H LEU A 181 -0.881 -3.157 4.371 1.00 1.10 H new ATOM 0 HA LEU A 181 -0.118 -3.956 1.768 1.00 0.92 H new ATOM 0 HB2 LEU A 181 1.016 -2.471 4.099 1.00 0.85 H new ATOM 0 HB3 LEU A 181 2.146 -3.062 2.896 1.00 0.85 H new ATOM 0 HG LEU A 181 1.304 -0.676 2.662 1.00 0.68 H new ATOM 0 HD11 LEU A 181 1.214 -0.851 0.199 1.00 0.94 H new ATOM 0 HD12 LEU A 181 2.497 -1.874 0.888 1.00 0.94 H new ATOM 0 HD13 LEU A 181 0.970 -2.608 0.341 1.00 0.94 H new ATOM 0 HD21 LEU A 181 -0.826 -0.371 1.473 1.00 1.34 H new ATOM 0 HD22 LEU A 181 -1.171 -2.107 1.654 1.00 1.34 H new ATOM 0 HD23 LEU A 181 -1.062 -1.067 3.094 1.00 1.34 H new ATOM 508 N LYS A 182 0.836 -5.850 4.211 1.00 1.35 N ATOM 509 CA LYS A 182 1.407 -7.178 4.440 1.00 1.55 C ATOM 510 C LYS A 182 1.055 -8.083 3.275 1.00 1.54 C ATOM 511 O LYS A 182 1.932 -8.706 2.682 1.00 1.58 O ATOM 512 CB LYS A 182 0.916 -7.819 5.746 1.00 1.84 C ATOM 513 CG LYS A 182 1.731 -7.444 6.974 1.00 2.25 C ATOM 514 CD LYS A 182 1.191 -8.084 8.257 1.00 2.48 C ATOM 515 CE LYS A 182 0.743 -9.525 8.052 1.00 2.59 C ATOM 516 NZ LYS A 182 0.000 -10.043 9.230 1.00 3.08 N ATOM 0 H LYS A 182 0.322 -5.460 5.001 1.00 1.35 H new ATOM 0 HA LYS A 182 2.487 -7.056 4.525 1.00 1.55 H new ATOM 0 HB2 LYS A 182 -0.122 -7.529 5.911 1.00 1.84 H new ATOM 0 HB3 LYS A 182 0.930 -8.903 5.632 1.00 1.84 H new ATOM 0 HG2 LYS A 182 2.766 -7.752 6.827 1.00 2.25 H new ATOM 0 HG3 LYS A 182 1.734 -6.360 7.086 1.00 2.25 H new ATOM 0 HD2 LYS A 182 1.963 -8.054 9.026 1.00 2.48 H new ATOM 0 HD3 LYS A 182 0.351 -7.496 8.626 1.00 2.48 H new ATOM 0 HE2 LYS A 182 0.110 -9.587 7.167 1.00 2.59 H new ATOM 0 HE3 LYS A 182 1.614 -10.154 7.866 1.00 2.59 H new ATOM 0 HZ1 LYS A 182 -0.376 -10.989 9.015 1.00 3.08 H new ATOM 0 HZ2 LYS A 182 0.642 -10.103 10.046 1.00 3.08 H new ATOM 0 HZ3 LYS A 182 -0.786 -9.401 9.454 1.00 3.08 H new ATOM 530 N LYS A 183 -0.230 -8.133 2.930 1.00 1.56 N ATOM 531 CA LYS A 183 -0.655 -8.873 1.742 1.00 1.62 C ATOM 532 C LYS A 183 0.010 -8.315 0.494 1.00 1.47 C ATOM 533 O LYS A 183 0.604 -9.058 -0.288 1.00 1.59 O ATOM 534 CB LYS A 183 -2.172 -8.822 1.549 1.00 1.72 C ATOM 535 CG LYS A 183 -2.619 -9.324 0.179 1.00 1.85 C ATOM 536 CD LYS A 183 -4.126 -9.229 0.006 1.00 1.95 C ATOM 537 CE LYS A 183 -4.632 -10.214 -1.035 1.00 2.25 C ATOM 538 NZ LYS A 183 -4.270 -11.617 -0.697 1.00 2.75 N ATOM 0 H LYS A 183 -0.984 -7.679 3.445 1.00 1.56 H new ATOM 0 HA LYS A 183 -0.354 -9.909 1.896 1.00 1.62 H new ATOM 0 HB2 LYS A 183 -2.651 -9.422 2.323 1.00 1.72 H new ATOM 0 HB3 LYS A 183 -2.515 -7.796 1.683 1.00 1.72 H new ATOM 0 HG2 LYS A 183 -2.127 -8.742 -0.600 1.00 1.85 H new ATOM 0 HG3 LYS A 183 -2.303 -10.359 0.051 1.00 1.85 H new ATOM 0 HD2 LYS A 183 -4.615 -9.424 0.960 1.00 1.95 H new ATOM 0 HD3 LYS A 183 -4.396 -8.215 -0.290 1.00 1.95 H new ATOM 0 HE2 LYS A 183 -5.716 -10.129 -1.118 1.00 2.25 H new ATOM 0 HE3 LYS A 183 -4.217 -9.957 -2.009 1.00 2.25 H new ATOM 0 HZ1 LYS A 183 -5.091 -12.236 -0.857 1.00 2.75 H new ATOM 0 HZ2 LYS A 183 -3.480 -11.926 -1.299 1.00 2.75 H new ATOM 0 HZ3 LYS A 183 -3.986 -11.671 0.302 1.00 2.75 H new ATOM 552 N ALA A 184 -0.096 -7.005 0.322 1.00 1.26 N ATOM 553 CA ALA A 184 0.376 -6.341 -0.885 1.00 1.18 C ATOM 554 C ALA A 184 1.822 -6.708 -1.216 1.00 1.25 C ATOM 555 O ALA A 184 2.139 -7.078 -2.349 1.00 1.43 O ATOM 556 CB ALA A 184 0.233 -4.836 -0.737 1.00 0.93 C ATOM 0 H ALA A 184 -0.509 -6.376 1.010 1.00 1.26 H new ATOM 0 HA ALA A 184 -0.241 -6.685 -1.715 1.00 1.18 H new ATOM 0 HB1 ALA A 184 0.588 -4.346 -1.644 1.00 0.93 H new ATOM 0 HB2 ALA A 184 -0.815 -4.584 -0.575 1.00 0.93 H new ATOM 0 HB3 ALA A 184 0.823 -4.496 0.114 1.00 0.93 H new ATOM 562 N LEU A 185 2.688 -6.612 -0.223 1.00 1.18 N ATOM 563 CA LEU A 185 4.091 -6.945 -0.396 1.00 1.30 C ATOM 564 C LEU A 185 4.283 -8.446 -0.538 1.00 1.54 C ATOM 565 O LEU A 185 4.982 -8.900 -1.441 1.00 1.70 O ATOM 566 CB LEU A 185 4.920 -6.429 0.780 1.00 1.28 C ATOM 567 CG LEU A 185 5.345 -4.965 0.714 1.00 1.20 C ATOM 568 CD1 LEU A 185 5.615 -4.514 -0.713 1.00 1.69 C ATOM 569 CD2 LEU A 185 4.310 -4.104 1.380 1.00 1.54 C ATOM 0 H LEU A 185 2.442 -6.304 0.718 1.00 1.18 H new ATOM 0 HA LEU A 185 4.433 -6.461 -1.311 1.00 1.30 H new ATOM 0 HB2 LEU A 185 4.347 -6.578 1.695 1.00 1.28 H new ATOM 0 HB3 LEU A 185 5.817 -7.043 0.862 1.00 1.28 H new ATOM 0 HG LEU A 185 6.287 -4.858 1.252 1.00 1.20 H new ATOM 0 HD11 LEU A 185 5.915 -3.466 -0.713 1.00 1.69 H new ATOM 0 HD12 LEU A 185 6.414 -5.120 -1.141 1.00 1.69 H new ATOM 0 HD13 LEU A 185 4.710 -4.633 -1.309 1.00 1.69 H new ATOM 0 HD21 LEU A 185 4.618 -3.060 1.330 1.00 1.54 H new ATOM 0 HD22 LEU A 185 3.354 -4.225 0.871 1.00 1.54 H new ATOM 0 HD23 LEU A 185 4.206 -4.402 2.423 1.00 1.54 H new ATOM 581 N MET A 186 3.655 -9.213 0.347 1.00 1.61 N ATOM 582 CA MET A 186 3.814 -10.669 0.353 1.00 1.84 C ATOM 583 C MET A 186 3.388 -11.305 -0.965 1.00 1.98 C ATOM 584 O MET A 186 3.904 -12.358 -1.341 1.00 2.18 O ATOM 585 CB MET A 186 3.038 -11.300 1.508 1.00 1.94 C ATOM 586 CG MET A 186 3.717 -11.153 2.862 1.00 1.99 C ATOM 587 SD MET A 186 4.815 -12.533 3.268 1.00 2.29 S ATOM 588 CE MET A 186 6.086 -12.384 2.014 1.00 2.25 C ATOM 0 H MET A 186 3.031 -8.854 1.070 1.00 1.61 H new ATOM 0 HA MET A 186 4.878 -10.864 0.487 1.00 1.84 H new ATOM 0 HB2 MET A 186 2.048 -10.846 1.558 1.00 1.94 H new ATOM 0 HB3 MET A 186 2.893 -12.360 1.299 1.00 1.94 H new ATOM 0 HG2 MET A 186 4.291 -10.226 2.874 1.00 1.99 H new ATOM 0 HG3 MET A 186 2.954 -11.066 3.635 1.00 1.99 H new ATOM 0 HE1 MET A 186 6.904 -13.067 2.242 1.00 2.25 H new ATOM 0 HE2 MET A 186 5.666 -12.633 1.039 1.00 2.25 H new ATOM 0 HE3 MET A 186 6.462 -11.361 1.997 1.00 2.25 H new ATOM 598 N MET A 187 2.464 -10.670 -1.675 1.00 1.91 N ATOM 599 CA MET A 187 2.020 -11.197 -2.962 1.00 2.11 C ATOM 600 C MET A 187 3.099 -10.990 -4.021 1.00 2.24 C ATOM 601 O MET A 187 3.251 -11.800 -4.935 1.00 2.50 O ATOM 602 CB MET A 187 0.695 -10.564 -3.398 1.00 2.07 C ATOM 603 CG MET A 187 -0.464 -10.900 -2.470 1.00 2.07 C ATOM 604 SD MET A 187 -2.063 -10.870 -3.299 1.00 2.22 S ATOM 605 CE MET A 187 -2.334 -9.110 -3.423 1.00 1.99 C ATOM 0 H MET A 187 2.012 -9.802 -1.388 1.00 1.91 H new ATOM 0 HA MET A 187 1.848 -12.267 -2.848 1.00 2.11 H new ATOM 0 HB2 MET A 187 0.814 -9.481 -3.443 1.00 2.07 H new ATOM 0 HB3 MET A 187 0.454 -10.900 -4.406 1.00 2.07 H new ATOM 0 HG2 MET A 187 -0.303 -11.888 -2.040 1.00 2.07 H new ATOM 0 HG3 MET A 187 -0.477 -10.191 -1.643 1.00 2.07 H new ATOM 0 HE1 MET A 187 -3.045 -8.907 -4.224 1.00 1.99 H new ATOM 0 HE2 MET A 187 -2.733 -8.736 -2.480 1.00 1.99 H new ATOM 0 HE3 MET A 187 -1.390 -8.611 -3.641 1.00 1.99 H new ATOM 615 N ARG A 188 3.845 -9.898 -3.892 1.00 2.10 N ATOM 616 CA ARG A 188 5.030 -9.670 -4.711 1.00 2.26 C ATOM 617 C ARG A 188 6.187 -10.553 -4.247 1.00 2.31 C ATOM 618 O ARG A 188 7.120 -10.832 -5.002 1.00 2.49 O ATOM 619 CB ARG A 188 5.453 -8.206 -4.612 1.00 2.17 C ATOM 620 CG ARG A 188 4.467 -7.237 -5.229 1.00 2.35 C ATOM 621 CD ARG A 188 4.576 -7.225 -6.742 1.00 2.34 C ATOM 622 NE ARG A 188 5.943 -6.924 -7.177 1.00 2.97 N ATOM 623 CZ ARG A 188 6.654 -7.681 -8.015 1.00 3.63 C ATOM 624 NH1 ARG A 188 6.126 -8.773 -8.558 1.00 3.90 N ATOM 625 NH2 ARG A 188 7.899 -7.342 -8.313 1.00 4.43 N ATOM 0 H ARG A 188 3.648 -9.153 -3.224 1.00 2.10 H new ATOM 0 HA ARG A 188 4.784 -9.919 -5.743 1.00 2.26 H new ATOM 0 HB2 ARG A 188 5.591 -7.949 -3.562 1.00 2.17 H new ATOM 0 HB3 ARG A 188 6.420 -8.084 -5.100 1.00 2.17 H new ATOM 0 HG2 ARG A 188 3.453 -7.512 -4.938 1.00 2.35 H new ATOM 0 HG3 ARG A 188 4.649 -6.235 -4.842 1.00 2.35 H new ATOM 0 HD2 ARG A 188 4.272 -8.194 -7.138 1.00 2.34 H new ATOM 0 HD3 ARG A 188 3.890 -6.483 -7.152 1.00 2.34 H new ATOM 0 HE ARG A 188 6.381 -6.077 -6.814 1.00 2.97 H new ATOM 0 HH11 ARG A 188 5.167 -9.041 -8.336 1.00 3.90 H new ATOM 0 HH12 ARG A 188 6.680 -9.343 -9.197 1.00 3.90 H new ATOM 0 HH21 ARG A 188 8.312 -6.504 -7.902 1.00 4.43 H new ATOM 0 HH22 ARG A 188 8.445 -7.918 -8.953 1.00 4.43 H new ATOM 639 N GLY A 189 6.116 -10.981 -2.994 1.00 2.21 N ATOM 640 CA GLY A 189 7.194 -11.745 -2.398 1.00 2.31 C ATOM 641 C GLY A 189 8.066 -10.875 -1.515 1.00 2.19 C ATOM 642 O GLY A 189 9.150 -11.280 -1.096 1.00 2.31 O ATOM 0 H GLY A 189 5.324 -10.811 -2.375 1.00 2.21 H new ATOM 0 HA2 GLY A 189 6.780 -12.564 -1.809 1.00 2.31 H new ATOM 0 HA3 GLY A 189 7.802 -12.193 -3.184 1.00 2.31 H new ATOM 646 N LEU A 190 7.573 -9.680 -1.221 1.00 1.98 N ATOM 647 CA LEU A 190 8.319 -8.702 -0.440 1.00 1.90 C ATOM 648 C LEU A 190 7.747 -8.593 0.966 1.00 1.80 C ATOM 649 O LEU A 190 6.746 -9.233 1.291 1.00 1.79 O ATOM 650 CB LEU A 190 8.276 -7.326 -1.118 1.00 1.80 C ATOM 651 CG LEU A 190 9.246 -7.110 -2.287 1.00 2.15 C ATOM 652 CD1 LEU A 190 8.891 -7.984 -3.476 1.00 2.28 C ATOM 653 CD2 LEU A 190 9.245 -5.654 -2.695 1.00 2.37 C ATOM 0 H LEU A 190 6.650 -9.362 -1.515 1.00 1.98 H new ATOM 0 HA LEU A 190 9.354 -9.038 -0.379 1.00 1.90 H new ATOM 0 HB2 LEU A 190 7.262 -7.155 -1.480 1.00 1.80 H new ATOM 0 HB3 LEU A 190 8.477 -6.567 -0.362 1.00 1.80 H new ATOM 0 HG LEU A 190 10.244 -7.393 -1.952 1.00 2.15 H new ATOM 0 HD11 LEU A 190 9.600 -7.804 -4.284 1.00 2.28 H new ATOM 0 HD12 LEU A 190 8.934 -9.033 -3.182 1.00 2.28 H new ATOM 0 HD13 LEU A 190 7.884 -7.744 -3.816 1.00 2.28 H new ATOM 0 HD21 LEU A 190 9.936 -5.508 -3.525 1.00 2.37 H new ATOM 0 HD22 LEU A 190 8.241 -5.363 -3.003 1.00 2.37 H new ATOM 0 HD23 LEU A 190 9.558 -5.039 -1.851 1.00 2.37 H new ATOM 665 N ILE A 191 8.384 -7.781 1.795 1.00 1.81 N ATOM 666 CA ILE A 191 7.914 -7.543 3.144 1.00 1.83 C ATOM 667 C ILE A 191 7.724 -6.050 3.388 1.00 1.70 C ATOM 668 O ILE A 191 8.484 -5.221 2.884 1.00 1.69 O ATOM 669 CB ILE A 191 8.883 -8.109 4.203 1.00 2.08 C ATOM 670 CG1 ILE A 191 10.250 -7.430 4.110 1.00 2.17 C ATOM 671 CG2 ILE A 191 9.026 -9.608 4.023 1.00 2.25 C ATOM 672 CD1 ILE A 191 11.153 -7.735 5.276 1.00 2.42 C ATOM 0 H ILE A 191 9.235 -7.274 1.551 1.00 1.81 H new ATOM 0 HA ILE A 191 6.959 -8.060 3.242 1.00 1.83 H new ATOM 0 HB ILE A 191 8.472 -7.906 5.192 1.00 2.08 H new ATOM 0 HG12 ILE A 191 10.741 -7.744 3.189 1.00 2.17 H new ATOM 0 HG13 ILE A 191 10.107 -6.351 4.044 1.00 2.17 H new ATOM 0 HG21 ILE A 191 9.711 -10.001 4.774 1.00 2.25 H new ATOM 0 HG22 ILE A 191 8.052 -10.083 4.137 1.00 2.25 H new ATOM 0 HG23 ILE A 191 9.418 -9.819 3.028 1.00 2.25 H new ATOM 0 HD11 ILE A 191 12.105 -7.221 5.143 1.00 2.42 H new ATOM 0 HD12 ILE A 191 10.683 -7.396 6.199 1.00 2.42 H new ATOM 0 HD13 ILE A 191 11.326 -8.810 5.331 1.00 2.42 H new ATOM 684 N PRO A 192 6.698 -5.699 4.175 1.00 1.68 N ATOM 685 CA PRO A 192 6.357 -4.304 4.483 1.00 1.62 C ATOM 686 C PRO A 192 7.393 -3.625 5.376 1.00 1.81 C ATOM 687 O PRO A 192 7.290 -2.439 5.676 1.00 1.84 O ATOM 688 CB PRO A 192 5.016 -4.419 5.215 1.00 1.67 C ATOM 689 CG PRO A 192 5.005 -5.794 5.784 1.00 1.84 C ATOM 690 CD PRO A 192 5.774 -6.649 4.819 1.00 1.78 C ATOM 0 HA PRO A 192 6.320 -3.691 3.582 1.00 1.62 H new ATOM 0 HB2 PRO A 192 4.928 -3.667 5.999 1.00 1.67 H new ATOM 0 HB3 PRO A 192 4.180 -4.267 4.533 1.00 1.67 H new ATOM 0 HG2 PRO A 192 5.465 -5.811 6.772 1.00 1.84 H new ATOM 0 HG3 PRO A 192 3.985 -6.159 5.901 1.00 1.84 H new ATOM 0 HD2 PRO A 192 6.312 -7.447 5.331 1.00 1.78 H new ATOM 0 HD3 PRO A 192 5.116 -7.124 4.091 1.00 1.78 H new ATOM 698 N GLU A 193 8.385 -4.390 5.802 1.00 2.01 N ATOM 699 CA GLU A 193 9.410 -3.883 6.699 1.00 2.24 C ATOM 700 C GLU A 193 10.535 -3.215 5.913 1.00 2.20 C ATOM 701 O GLU A 193 11.197 -2.301 6.404 1.00 2.35 O ATOM 702 CB GLU A 193 9.961 -5.027 7.548 1.00 2.47 C ATOM 703 CG GLU A 193 8.873 -5.940 8.093 1.00 2.64 C ATOM 704 CD GLU A 193 9.416 -7.066 8.941 1.00 2.94 C ATOM 705 OE1 GLU A 193 9.815 -8.103 8.375 1.00 3.24 O ATOM 706 OE2 GLU A 193 9.424 -6.931 10.182 1.00 3.32 O ATOM 0 H GLU A 193 8.502 -5.369 5.539 1.00 2.01 H new ATOM 0 HA GLU A 193 8.964 -3.134 7.353 1.00 2.24 H new ATOM 0 HB2 GLU A 193 10.655 -5.616 6.948 1.00 2.47 H new ATOM 0 HB3 GLU A 193 10.531 -4.613 8.380 1.00 2.47 H new ATOM 0 HG2 GLU A 193 8.175 -5.350 8.687 1.00 2.64 H new ATOM 0 HG3 GLU A 193 8.308 -6.360 7.261 1.00 2.64 H new ATOM 713 N CYS A 194 10.739 -3.666 4.683 1.00 2.09 N ATOM 714 CA CYS A 194 11.798 -3.124 3.841 1.00 2.14 C ATOM 715 C CYS A 194 11.223 -2.340 2.664 1.00 1.95 C ATOM 716 O CYS A 194 11.911 -2.089 1.679 1.00 2.06 O ATOM 717 CB CYS A 194 12.693 -4.254 3.334 1.00 2.29 C ATOM 718 SG CYS A 194 13.469 -5.218 4.651 1.00 2.85 S ATOM 0 H CYS A 194 10.187 -4.404 4.246 1.00 2.09 H new ATOM 0 HA CYS A 194 12.392 -2.437 4.444 1.00 2.14 H new ATOM 0 HB2 CYS A 194 12.100 -4.922 2.709 1.00 2.29 H new ATOM 0 HB3 CYS A 194 13.472 -3.831 2.699 1.00 2.29 H new ATOM 0 HG CYS A 194 14.206 -6.153 4.128 1.00 2.85 H new ATOM 724 N CYS A 195 9.969 -1.939 2.779 1.00 1.74 N ATOM 725 CA CYS A 195 9.304 -1.185 1.721 1.00 1.57 C ATOM 726 C CYS A 195 8.614 0.040 2.322 1.00 1.53 C ATOM 727 O CYS A 195 8.441 0.113 3.537 1.00 1.63 O ATOM 728 CB CYS A 195 8.285 -2.079 1.008 1.00 1.38 C ATOM 729 SG CYS A 195 9.000 -3.571 0.280 1.00 1.62 S ATOM 0 H CYS A 195 9.386 -2.122 3.596 1.00 1.74 H new ATOM 0 HA CYS A 195 10.042 -0.851 0.992 1.00 1.57 H new ATOM 0 HB2 CYS A 195 7.511 -2.369 1.719 1.00 1.38 H new ATOM 0 HB3 CYS A 195 7.797 -1.502 0.223 1.00 1.38 H new ATOM 0 HG CYS A 195 8.954 -4.541 1.145 1.00 1.62 H new ATOM 735 N ALA A 196 8.245 1.007 1.485 1.00 1.46 N ATOM 736 CA ALA A 196 7.602 2.234 1.959 1.00 1.48 C ATOM 737 C ALA A 196 6.345 2.526 1.183 1.00 1.27 C ATOM 738 O ALA A 196 6.277 2.252 0.004 1.00 1.25 O ATOM 739 CB ALA A 196 8.538 3.425 1.831 1.00 1.73 C ATOM 0 H ALA A 196 8.380 0.966 0.475 1.00 1.46 H new ATOM 0 HA ALA A 196 7.352 2.076 3.008 1.00 1.48 H new ATOM 0 HB1 ALA A 196 8.035 4.323 2.190 1.00 1.73 H new ATOM 0 HB2 ALA A 196 9.434 3.249 2.425 1.00 1.73 H new ATOM 0 HB3 ALA A 196 8.816 3.558 0.786 1.00 1.73 H new ATOM 745 N VAL A 197 5.350 3.097 1.822 1.00 1.22 N ATOM 746 CA VAL A 197 4.148 3.426 1.115 1.00 1.03 C ATOM 747 C VAL A 197 3.976 4.932 0.982 1.00 1.17 C ATOM 748 O VAL A 197 4.149 5.703 1.927 1.00 1.38 O ATOM 749 CB VAL A 197 2.917 2.757 1.732 1.00 0.96 C ATOM 750 CG1 VAL A 197 3.264 1.371 2.232 1.00 1.34 C ATOM 751 CG2 VAL A 197 2.289 3.599 2.810 1.00 1.38 C ATOM 0 H VAL A 197 5.353 3.337 2.813 1.00 1.22 H new ATOM 0 HA VAL A 197 4.245 3.023 0.107 1.00 1.03 H new ATOM 0 HB VAL A 197 2.166 2.659 0.948 1.00 0.96 H new ATOM 0 HG11 VAL A 197 2.378 0.909 2.668 1.00 1.34 H new ATOM 0 HG12 VAL A 197 3.619 0.762 1.400 1.00 1.34 H new ATOM 0 HG13 VAL A 197 4.045 1.442 2.989 1.00 1.34 H new ATOM 0 HG21 VAL A 197 1.420 3.081 3.216 1.00 1.38 H new ATOM 0 HG22 VAL A 197 3.014 3.771 3.606 1.00 1.38 H new ATOM 0 HG23 VAL A 197 1.978 4.555 2.390 1.00 1.38 H new ATOM 761 N TYR A 198 3.705 5.320 -0.237 1.00 1.15 N ATOM 762 CA TYR A 198 3.496 6.695 -0.621 1.00 1.34 C ATOM 763 C TYR A 198 2.142 6.843 -1.284 1.00 1.26 C ATOM 764 O TYR A 198 1.525 5.856 -1.689 1.00 1.14 O ATOM 765 CB TYR A 198 4.555 7.120 -1.633 1.00 1.63 C ATOM 766 CG TYR A 198 5.888 7.501 -1.051 1.00 1.72 C ATOM 767 CD1 TYR A 198 6.265 8.825 -1.024 1.00 1.98 C ATOM 768 CD2 TYR A 198 6.776 6.549 -0.570 1.00 1.77 C ATOM 769 CE1 TYR A 198 7.489 9.208 -0.532 1.00 2.34 C ATOM 770 CE2 TYR A 198 8.009 6.921 -0.064 1.00 2.18 C ATOM 771 CZ TYR A 198 8.362 8.255 -0.049 1.00 2.48 C ATOM 772 OH TYR A 198 9.590 8.634 0.448 1.00 2.99 O ATOM 0 H TYR A 198 3.621 4.667 -1.016 1.00 1.15 H new ATOM 0 HA TYR A 198 3.555 7.313 0.275 1.00 1.34 H new ATOM 0 HB2 TYR A 198 4.706 6.304 -2.340 1.00 1.63 H new ATOM 0 HB3 TYR A 198 4.171 7.967 -2.202 1.00 1.63 H new ATOM 0 HD1 TYR A 198 5.585 9.577 -1.397 1.00 1.98 H new ATOM 0 HD2 TYR A 198 6.501 5.505 -0.591 1.00 1.77 H new ATOM 0 HE1 TYR A 198 7.767 10.252 -0.523 1.00 2.34 H new ATOM 0 HE2 TYR A 198 8.690 6.173 0.316 1.00 2.18 H new ATOM 0 HH TYR A 198 10.081 7.840 0.748 1.00 2.99 H new ATOM 782 N ARG A 199 1.695 8.071 -1.405 1.00 1.43 N ATOM 783 CA ARG A 199 0.531 8.385 -2.209 1.00 1.48 C ATOM 784 C ARG A 199 0.706 9.761 -2.819 1.00 1.74 C ATOM 785 O ARG A 199 1.127 10.697 -2.141 1.00 1.91 O ATOM 786 CB ARG A 199 -0.763 8.295 -1.395 1.00 1.43 C ATOM 787 CG ARG A 199 -0.749 9.094 -0.108 1.00 1.49 C ATOM 788 CD ARG A 199 -2.008 8.847 0.702 1.00 1.54 C ATOM 789 NE ARG A 199 -3.213 9.323 0.019 1.00 1.88 N ATOM 790 CZ ARG A 199 -4.131 10.105 0.587 1.00 2.06 C ATOM 791 NH1 ARG A 199 -3.950 10.566 1.817 1.00 2.20 N ATOM 792 NH2 ARG A 199 -5.230 10.436 -0.080 1.00 2.64 N ATOM 0 H ARG A 199 2.123 8.879 -0.953 1.00 1.43 H new ATOM 0 HA ARG A 199 0.445 7.647 -3.007 1.00 1.48 H new ATOM 0 HB2 ARG A 199 -1.592 8.640 -2.013 1.00 1.43 H new ATOM 0 HB3 ARG A 199 -0.956 7.249 -1.157 1.00 1.43 H new ATOM 0 HG2 ARG A 199 0.126 8.823 0.483 1.00 1.49 H new ATOM 0 HG3 ARG A 199 -0.663 10.156 -0.337 1.00 1.49 H new ATOM 0 HD2 ARG A 199 -2.105 7.780 0.902 1.00 1.54 H new ATOM 0 HD3 ARG A 199 -1.920 9.346 1.667 1.00 1.54 H new ATOM 0 HE ARG A 199 -3.359 9.039 -0.950 1.00 1.88 H new ATOM 0 HH11 ARG A 199 -3.105 10.323 2.334 1.00 2.20 H new ATOM 0 HH12 ARG A 199 -4.656 11.164 2.247 1.00 2.20 H new ATOM 0 HH21 ARG A 199 -5.374 10.092 -1.029 1.00 2.64 H new ATOM 0 HH22 ARG A 199 -5.931 11.035 0.357 1.00 2.64 H new ATOM 806 N ILE A 200 0.429 9.872 -4.103 1.00 1.86 N ATOM 807 CA ILE A 200 0.679 11.106 -4.823 1.00 2.14 C ATOM 808 C ILE A 200 -0.479 12.073 -4.641 1.00 2.23 C ATOM 809 O ILE A 200 -1.620 11.780 -5.004 1.00 2.21 O ATOM 810 CB ILE A 200 0.956 10.848 -6.331 1.00 2.31 C ATOM 811 CG1 ILE A 200 2.432 10.483 -6.572 1.00 2.35 C ATOM 812 CG2 ILE A 200 0.589 12.064 -7.177 1.00 2.60 C ATOM 813 CD1 ILE A 200 3.029 9.522 -5.561 1.00 2.31 C ATOM 0 H ILE A 200 0.031 9.123 -4.670 1.00 1.86 H new ATOM 0 HA ILE A 200 1.577 11.558 -4.403 1.00 2.14 H new ATOM 0 HB ILE A 200 0.330 10.007 -6.631 1.00 2.31 H new ATOM 0 HG12 ILE A 200 2.525 10.045 -7.566 1.00 2.35 H new ATOM 0 HG13 ILE A 200 3.022 11.400 -6.572 1.00 2.35 H new ATOM 0 HG21 ILE A 200 0.794 11.852 -8.226 1.00 2.60 H new ATOM 0 HG22 ILE A 200 -0.470 12.288 -7.052 1.00 2.60 H new ATOM 0 HG23 ILE A 200 1.181 12.922 -6.857 1.00 2.60 H new ATOM 0 HD11 ILE A 200 4.071 9.327 -5.816 1.00 2.31 H new ATOM 0 HD12 ILE A 200 2.975 9.962 -4.565 1.00 2.31 H new ATOM 0 HD13 ILE A 200 2.470 8.586 -5.575 1.00 2.31 H new ATOM 825 N GLN A 201 -0.175 13.216 -4.053 1.00 2.38 N ATOM 826 CA GLN A 201 -1.152 14.259 -3.858 1.00 2.53 C ATOM 827 C GLN A 201 -0.920 15.312 -4.930 1.00 2.80 C ATOM 828 O GLN A 201 -0.587 14.953 -6.053 1.00 2.86 O ATOM 829 CB GLN A 201 -1.032 14.849 -2.448 1.00 2.58 C ATOM 830 CG GLN A 201 -2.349 15.374 -1.894 1.00 2.68 C ATOM 831 CD GLN A 201 -2.294 15.644 -0.403 1.00 2.82 C ATOM 832 OE1 GLN A 201 -2.576 14.763 0.410 1.00 3.03 O ATOM 833 NE2 GLN A 201 -1.943 16.860 -0.030 1.00 3.22 N ATOM 0 H GLN A 201 0.755 13.442 -3.700 1.00 2.38 H new ATOM 0 HA GLN A 201 -2.164 13.864 -3.947 1.00 2.53 H new ATOM 0 HB2 GLN A 201 -0.643 14.085 -1.775 1.00 2.58 H new ATOM 0 HB3 GLN A 201 -0.304 15.660 -2.463 1.00 2.58 H new ATOM 0 HG2 GLN A 201 -2.616 16.293 -2.415 1.00 2.68 H new ATOM 0 HG3 GLN A 201 -3.138 14.650 -2.099 1.00 2.68 H new ATOM 0 HE21 GLN A 201 -1.716 17.564 -0.733 1.00 3.22 H new ATOM 0 HE22 GLN A 201 -1.898 17.096 0.961 1.00 3.22 H new ATOM 842 N ASP A 202 -1.048 16.584 -4.581 1.00 2.99 N ATOM 843 CA ASP A 202 -0.933 17.686 -5.543 1.00 3.26 C ATOM 844 C ASP A 202 0.399 17.668 -6.301 1.00 3.36 C ATOM 845 O ASP A 202 1.337 18.385 -5.947 1.00 3.48 O ATOM 846 CB ASP A 202 -1.053 19.002 -4.800 1.00 3.44 C ATOM 847 CG ASP A 202 -1.187 20.192 -5.728 1.00 3.72 C ATOM 848 OD1 ASP A 202 -0.239 20.999 -5.807 1.00 3.97 O ATOM 849 OD2 ASP A 202 -2.245 20.329 -6.381 1.00 4.02 O ATOM 0 H ASP A 202 -1.234 16.888 -3.625 1.00 2.99 H new ATOM 0 HA ASP A 202 -1.732 17.568 -6.275 1.00 3.26 H new ATOM 0 HB2 ASP A 202 -1.919 18.963 -4.140 1.00 3.44 H new ATOM 0 HB3 ASP A 202 -0.176 19.138 -4.167 1.00 3.44 H new ATOM 854 N GLY A 203 0.473 16.839 -7.334 1.00 3.34 N ATOM 855 CA GLY A 203 1.672 16.717 -8.137 1.00 3.46 C ATOM 856 C GLY A 203 2.865 16.209 -7.350 1.00 3.33 C ATOM 857 O GLY A 203 3.986 16.185 -7.864 1.00 3.47 O ATOM 0 H GLY A 203 -0.294 16.237 -7.634 1.00 3.34 H new ATOM 0 HA2 GLY A 203 1.478 16.040 -8.969 1.00 3.46 H new ATOM 0 HA3 GLY A 203 1.915 17.689 -8.567 1.00 3.46 H new ATOM 861 N GLU A 204 2.645 15.797 -6.106 1.00 3.11 N ATOM 862 CA GLU A 204 3.749 15.411 -5.250 1.00 3.04 C ATOM 863 C GLU A 204 3.490 14.074 -4.586 1.00 2.75 C ATOM 864 O GLU A 204 2.457 13.454 -4.792 1.00 2.61 O ATOM 865 CB GLU A 204 3.965 16.484 -4.197 1.00 3.15 C ATOM 866 CG GLU A 204 2.852 16.549 -3.174 1.00 3.02 C ATOM 867 CD GLU A 204 3.070 17.635 -2.149 1.00 3.20 C ATOM 868 OE1 GLU A 204 3.710 17.361 -1.112 1.00 3.45 O ATOM 869 OE2 GLU A 204 2.599 18.766 -2.372 1.00 3.48 O ATOM 0 H GLU A 204 1.723 15.724 -5.677 1.00 3.11 H new ATOM 0 HA GLU A 204 4.645 15.309 -5.863 1.00 3.04 H new ATOM 0 HB2 GLU A 204 4.909 16.297 -3.685 1.00 3.15 H new ATOM 0 HB3 GLU A 204 4.055 17.453 -4.688 1.00 3.15 H new ATOM 0 HG2 GLU A 204 1.904 16.721 -3.684 1.00 3.02 H new ATOM 0 HG3 GLU A 204 2.772 15.587 -2.668 1.00 3.02 H new ATOM 876 N LYS A 205 4.437 13.650 -3.779 1.00 2.71 N ATOM 877 CA LYS A 205 4.365 12.377 -3.095 1.00 2.46 C ATOM 878 C LYS A 205 4.255 12.582 -1.594 1.00 2.42 C ATOM 879 O LYS A 205 4.929 13.434 -1.015 1.00 2.62 O ATOM 880 CB LYS A 205 5.606 11.548 -3.402 1.00 2.49 C ATOM 881 CG LYS A 205 5.797 11.262 -4.875 1.00 2.61 C ATOM 882 CD LYS A 205 7.128 10.589 -5.158 1.00 2.75 C ATOM 883 CE LYS A 205 7.362 9.389 -4.253 1.00 2.53 C ATOM 884 NZ LYS A 205 8.167 8.334 -4.926 1.00 2.70 N ATOM 0 H LYS A 205 5.284 14.181 -3.577 1.00 2.71 H new ATOM 0 HA LYS A 205 3.478 11.850 -3.447 1.00 2.46 H new ATOM 0 HB2 LYS A 205 6.485 12.072 -3.026 1.00 2.49 H new ATOM 0 HB3 LYS A 205 5.543 10.603 -2.863 1.00 2.49 H new ATOM 0 HG2 LYS A 205 4.987 10.624 -5.228 1.00 2.61 H new ATOM 0 HG3 LYS A 205 5.736 12.195 -5.436 1.00 2.61 H new ATOM 0 HD2 LYS A 205 7.159 10.269 -6.200 1.00 2.75 H new ATOM 0 HD3 LYS A 205 7.935 11.309 -5.022 1.00 2.75 H new ATOM 0 HE2 LYS A 205 7.873 9.713 -3.346 1.00 2.53 H new ATOM 0 HE3 LYS A 205 6.402 8.973 -3.947 1.00 2.53 H new ATOM 0 HZ1 LYS A 205 8.333 7.549 -4.265 1.00 2.70 H new ATOM 0 HZ2 LYS A 205 7.652 7.983 -5.759 1.00 2.70 H new ATOM 0 HZ3 LYS A 205 9.080 8.732 -5.226 1.00 2.70 H new ATOM 898 N LYS A 206 3.400 11.795 -0.979 1.00 2.19 N ATOM 899 CA LYS A 206 3.225 11.812 0.465 1.00 2.19 C ATOM 900 C LYS A 206 3.603 10.454 1.042 1.00 2.01 C ATOM 901 O LYS A 206 2.925 9.460 0.778 1.00 1.82 O ATOM 902 CB LYS A 206 1.771 12.127 0.840 1.00 2.17 C ATOM 903 CG LYS A 206 1.253 13.464 0.328 1.00 2.38 C ATOM 904 CD LYS A 206 2.021 14.639 0.911 1.00 2.68 C ATOM 905 CE LYS A 206 1.329 15.956 0.599 1.00 2.93 C ATOM 906 NZ LYS A 206 2.140 17.131 1.011 1.00 3.25 N ATOM 0 H LYS A 206 2.804 11.123 -1.462 1.00 2.19 H new ATOM 0 HA LYS A 206 3.870 12.589 0.876 1.00 2.19 H new ATOM 0 HB2 LYS A 206 1.131 11.334 0.453 1.00 2.17 H new ATOM 0 HB3 LYS A 206 1.679 12.110 1.926 1.00 2.17 H new ATOM 0 HG2 LYS A 206 1.326 13.488 -0.759 1.00 2.38 H new ATOM 0 HG3 LYS A 206 0.197 13.562 0.578 1.00 2.38 H new ATOM 0 HD2 LYS A 206 2.110 14.519 1.991 1.00 2.68 H new ATOM 0 HD3 LYS A 206 3.033 14.652 0.507 1.00 2.68 H new ATOM 0 HE2 LYS A 206 1.128 16.013 -0.471 1.00 2.93 H new ATOM 0 HE3 LYS A 206 0.365 15.987 1.107 1.00 2.93 H new ATOM 0 HZ1 LYS A 206 1.564 17.994 0.937 1.00 3.25 H new ATOM 0 HZ2 LYS A 206 2.454 17.008 1.995 1.00 3.25 H new ATOM 0 HZ3 LYS A 206 2.970 17.215 0.390 1.00 3.25 H new ATOM 920 N PRO A 207 4.706 10.375 1.795 1.00 2.11 N ATOM 921 CA PRO A 207 5.089 9.142 2.471 1.00 2.00 C ATOM 922 C PRO A 207 4.199 8.866 3.669 1.00 1.97 C ATOM 923 O PRO A 207 4.104 9.673 4.597 1.00 2.17 O ATOM 924 CB PRO A 207 6.526 9.391 2.902 1.00 2.22 C ATOM 925 CG PRO A 207 6.656 10.874 3.003 1.00 2.47 C ATOM 926 CD PRO A 207 5.668 11.464 2.031 1.00 2.38 C ATOM 0 HA PRO A 207 4.988 8.268 1.828 1.00 2.00 H new ATOM 0 HB2 PRO A 207 6.739 8.912 3.858 1.00 2.22 H new ATOM 0 HB3 PRO A 207 7.230 8.983 2.177 1.00 2.22 H new ATOM 0 HG2 PRO A 207 6.449 11.212 4.018 1.00 2.47 H new ATOM 0 HG3 PRO A 207 7.671 11.190 2.763 1.00 2.47 H new ATOM 0 HD2 PRO A 207 5.179 12.346 2.445 1.00 2.38 H new ATOM 0 HD3 PRO A 207 6.155 11.774 1.106 1.00 2.38 H new ATOM 934 N ILE A 208 3.555 7.722 3.643 1.00 1.77 N ATOM 935 CA ILE A 208 2.527 7.395 4.622 1.00 1.77 C ATOM 936 C ILE A 208 3.108 6.613 5.799 1.00 1.91 C ATOM 937 O ILE A 208 4.178 6.007 5.692 1.00 1.91 O ATOM 938 CB ILE A 208 1.431 6.560 3.948 1.00 1.50 C ATOM 939 CG1 ILE A 208 0.977 7.241 2.660 1.00 1.41 C ATOM 940 CG2 ILE A 208 0.248 6.349 4.874 1.00 1.59 C ATOM 941 CD1 ILE A 208 0.402 6.287 1.643 1.00 1.18 C ATOM 0 H ILE A 208 3.722 6.992 2.951 1.00 1.77 H new ATOM 0 HA ILE A 208 2.111 8.327 5.004 1.00 1.77 H new ATOM 0 HB ILE A 208 1.848 5.581 3.711 1.00 1.50 H new ATOM 0 HG12 ILE A 208 0.228 7.995 2.902 1.00 1.41 H new ATOM 0 HG13 ILE A 208 1.825 7.764 2.217 1.00 1.41 H new ATOM 0 HG21 ILE A 208 -0.510 5.754 4.366 1.00 1.59 H new ATOM 0 HG22 ILE A 208 0.578 5.827 5.772 1.00 1.59 H new ATOM 0 HG23 ILE A 208 -0.174 7.315 5.151 1.00 1.59 H new ATOM 0 HD11 ILE A 208 0.101 6.841 0.754 1.00 1.18 H new ATOM 0 HD12 ILE A 208 1.155 5.547 1.372 1.00 1.18 H new ATOM 0 HD13 ILE A 208 -0.466 5.782 2.067 1.00 1.18 H new ATOM 953 N GLY A 209 2.396 6.640 6.919 1.00 2.07 N ATOM 954 CA GLY A 209 2.797 5.883 8.081 1.00 2.25 C ATOM 955 C GLY A 209 2.146 4.519 8.088 1.00 2.13 C ATOM 956 O GLY A 209 0.996 4.376 7.675 1.00 2.01 O ATOM 0 H GLY A 209 1.539 7.180 7.040 1.00 2.07 H new ATOM 0 HA2 GLY A 209 3.881 5.773 8.092 1.00 2.25 H new ATOM 0 HA3 GLY A 209 2.523 6.426 8.986 1.00 2.25 H new ATOM 960 N TRP A 210 2.867 3.520 8.562 1.00 2.20 N ATOM 961 CA TRP A 210 2.387 2.147 8.512 1.00 2.11 C ATOM 962 C TRP A 210 1.269 1.897 9.518 1.00 2.30 C ATOM 963 O TRP A 210 0.547 0.904 9.418 1.00 2.25 O ATOM 964 CB TRP A 210 3.541 1.176 8.746 1.00 2.18 C ATOM 965 CG TRP A 210 4.493 1.134 7.596 1.00 1.97 C ATOM 966 CD1 TRP A 210 5.616 1.890 7.423 1.00 2.05 C ATOM 967 CD2 TRP A 210 4.392 0.295 6.446 1.00 1.69 C ATOM 968 NE1 TRP A 210 6.218 1.571 6.231 1.00 1.86 N ATOM 969 CE2 TRP A 210 5.484 0.591 5.615 1.00 1.62 C ATOM 970 CE3 TRP A 210 3.482 -0.681 6.042 1.00 1.54 C ATOM 971 CZ2 TRP A 210 5.688 -0.056 4.401 1.00 1.40 C ATOM 972 CZ3 TRP A 210 3.686 -1.322 4.838 1.00 1.31 C ATOM 973 CH2 TRP A 210 4.782 -1.008 4.029 1.00 1.24 C ATOM 0 H TRP A 210 3.788 3.631 8.987 1.00 2.20 H new ATOM 0 HA TRP A 210 1.973 1.979 7.518 1.00 2.11 H new ATOM 0 HB2 TRP A 210 4.079 1.466 9.649 1.00 2.18 H new ATOM 0 HB3 TRP A 210 3.142 0.177 8.920 1.00 2.18 H new ATOM 0 HD1 TRP A 210 5.978 2.630 8.121 1.00 2.05 H new ATOM 0 HE1 TRP A 210 7.071 1.994 5.864 1.00 1.86 H new ATOM 0 HE3 TRP A 210 2.633 -0.931 6.661 1.00 1.54 H new ATOM 0 HZ2 TRP A 210 6.534 0.186 3.774 1.00 1.40 H new ATOM 0 HZ3 TRP A 210 2.987 -2.079 4.515 1.00 1.31 H new ATOM 0 HH2 TRP A 210 4.915 -1.528 3.092 1.00 1.24 H new ATOM 984 N ASP A 211 1.111 2.809 10.463 1.00 2.54 N ATOM 985 CA ASP A 211 0.096 2.691 11.478 1.00 2.76 C ATOM 986 C ASP A 211 -1.118 3.532 11.114 1.00 2.71 C ATOM 987 O ASP A 211 -1.935 3.881 11.965 1.00 2.92 O ATOM 988 CB ASP A 211 0.655 3.125 12.823 1.00 3.09 C ATOM 989 CG ASP A 211 1.198 4.539 12.818 1.00 3.39 C ATOM 990 OD1 ASP A 211 2.325 4.749 12.317 1.00 3.79 O ATOM 991 OD2 ASP A 211 0.514 5.448 13.332 1.00 3.79 O ATOM 0 H ASP A 211 1.686 3.648 10.542 1.00 2.54 H new ATOM 0 HA ASP A 211 -0.215 1.648 11.545 1.00 2.76 H new ATOM 0 HB2 ASP A 211 -0.129 3.047 13.577 1.00 3.09 H new ATOM 0 HB3 ASP A 211 1.450 2.439 13.117 1.00 3.09 H new ATOM 996 N THR A 212 -1.223 3.850 9.839 1.00 2.44 N ATOM 997 CA THR A 212 -2.354 4.587 9.322 1.00 2.39 C ATOM 998 C THR A 212 -3.494 3.626 8.995 1.00 2.29 C ATOM 999 O THR A 212 -3.290 2.629 8.301 1.00 2.10 O ATOM 1000 CB THR A 212 -1.942 5.389 8.069 1.00 2.18 C ATOM 1001 OG1 THR A 212 -1.039 6.440 8.434 1.00 2.33 O ATOM 1002 CG2 THR A 212 -3.148 5.978 7.351 1.00 2.12 C ATOM 0 H THR A 212 -0.527 3.604 9.135 1.00 2.44 H new ATOM 0 HA THR A 212 -2.697 5.291 10.080 1.00 2.39 H new ATOM 0 HB THR A 212 -1.449 4.698 7.385 1.00 2.18 H new ATOM 0 HG1 THR A 212 -0.116 6.123 8.347 1.00 2.33 H new ATOM 0 HG21 THR A 212 -2.814 6.534 6.475 1.00 2.12 H new ATOM 0 HG22 THR A 212 -3.814 5.174 7.038 1.00 2.12 H new ATOM 0 HG23 THR A 212 -3.681 6.648 8.025 1.00 2.12 H new ATOM 1010 N ASP A 213 -4.674 3.909 9.534 1.00 2.46 N ATOM 1011 CA ASP A 213 -5.850 3.077 9.304 1.00 2.43 C ATOM 1012 C ASP A 213 -6.216 3.096 7.826 1.00 2.14 C ATOM 1013 O ASP A 213 -6.701 4.104 7.310 1.00 2.12 O ATOM 1014 CB ASP A 213 -7.025 3.578 10.146 1.00 2.70 C ATOM 1015 CG ASP A 213 -8.168 2.587 10.206 1.00 3.00 C ATOM 1016 OD1 ASP A 213 -8.271 1.859 11.219 1.00 3.38 O ATOM 1017 OD2 ASP A 213 -8.977 2.539 9.256 1.00 3.47 O ATOM 0 H ASP A 213 -4.843 4.714 10.137 1.00 2.46 H new ATOM 0 HA ASP A 213 -5.622 2.053 9.599 1.00 2.43 H new ATOM 0 HB2 ASP A 213 -6.678 3.787 11.158 1.00 2.70 H new ATOM 0 HB3 ASP A 213 -7.387 4.519 9.732 1.00 2.70 H new ATOM 1022 N ILE A 214 -5.993 1.973 7.155 1.00 1.95 N ATOM 1023 CA ILE A 214 -6.107 1.907 5.699 1.00 1.68 C ATOM 1024 C ILE A 214 -7.551 2.094 5.221 1.00 1.75 C ATOM 1025 O ILE A 214 -7.794 2.373 4.046 1.00 1.61 O ATOM 1026 CB ILE A 214 -5.527 0.579 5.152 1.00 1.51 C ATOM 1027 CG1 ILE A 214 -5.633 0.532 3.625 1.00 1.27 C ATOM 1028 CG2 ILE A 214 -6.225 -0.617 5.773 1.00 1.71 C ATOM 1029 CD1 ILE A 214 -5.176 -0.772 3.025 1.00 1.17 C ATOM 0 H ILE A 214 -5.731 1.091 7.596 1.00 1.95 H new ATOM 0 HA ILE A 214 -5.519 2.735 5.302 1.00 1.68 H new ATOM 0 HB ILE A 214 -4.473 0.534 5.426 1.00 1.51 H new ATOM 0 HG12 ILE A 214 -6.669 0.711 3.336 1.00 1.27 H new ATOM 0 HG13 ILE A 214 -5.039 1.343 3.204 1.00 1.27 H new ATOM 0 HG21 ILE A 214 -5.798 -1.536 5.371 1.00 1.71 H new ATOM 0 HG22 ILE A 214 -6.090 -0.596 6.854 1.00 1.71 H new ATOM 0 HG23 ILE A 214 -7.289 -0.579 5.540 1.00 1.71 H new ATOM 0 HD11 ILE A 214 -5.280 -0.730 1.941 1.00 1.17 H new ATOM 0 HD12 ILE A 214 -4.131 -0.945 3.282 1.00 1.17 H new ATOM 0 HD13 ILE A 214 -5.785 -1.586 3.417 1.00 1.17 H new ATOM 1041 N SER A 215 -8.507 1.992 6.131 1.00 2.01 N ATOM 1042 CA SER A 215 -9.905 2.146 5.765 1.00 2.14 C ATOM 1043 C SER A 215 -10.207 3.599 5.381 1.00 2.17 C ATOM 1044 O SER A 215 -11.244 3.894 4.784 1.00 2.27 O ATOM 1045 CB SER A 215 -10.808 1.672 6.908 1.00 2.43 C ATOM 1046 OG SER A 215 -12.174 1.671 6.528 1.00 2.91 O ATOM 0 H SER A 215 -8.342 1.805 7.120 1.00 2.01 H new ATOM 0 HA SER A 215 -10.110 1.525 4.893 1.00 2.14 H new ATOM 0 HB2 SER A 215 -10.514 0.668 7.212 1.00 2.43 H new ATOM 0 HB3 SER A 215 -10.671 2.320 7.773 1.00 2.43 H new ATOM 0 HG SER A 215 -12.303 2.278 5.770 1.00 2.91 H new ATOM 1052 N TRP A 216 -9.284 4.501 5.706 1.00 2.14 N ATOM 1053 CA TRP A 216 -9.413 5.901 5.324 1.00 2.20 C ATOM 1054 C TRP A 216 -8.756 6.142 3.962 1.00 1.97 C ATOM 1055 O TRP A 216 -8.970 7.171 3.318 1.00 2.05 O ATOM 1056 CB TRP A 216 -8.778 6.790 6.403 1.00 2.34 C ATOM 1057 CG TRP A 216 -8.782 8.254 6.075 1.00 2.73 C ATOM 1058 CD1 TRP A 216 -9.870 9.031 5.800 1.00 3.17 C ATOM 1059 CD2 TRP A 216 -7.641 9.116 5.992 1.00 3.19 C ATOM 1060 NE1 TRP A 216 -9.474 10.322 5.547 1.00 3.82 N ATOM 1061 CE2 TRP A 216 -8.112 10.400 5.658 1.00 3.89 C ATOM 1062 CE3 TRP A 216 -6.268 8.927 6.165 1.00 3.35 C ATOM 1063 CZ2 TRP A 216 -7.256 11.487 5.495 1.00 4.68 C ATOM 1064 CZ3 TRP A 216 -5.420 10.006 6.004 1.00 4.17 C ATOM 1065 CH2 TRP A 216 -5.918 11.273 5.673 1.00 4.80 C ATOM 0 H TRP A 216 -8.438 4.285 6.234 1.00 2.14 H new ATOM 0 HA TRP A 216 -10.469 6.156 5.238 1.00 2.20 H new ATOM 0 HB2 TRP A 216 -9.310 6.638 7.342 1.00 2.34 H new ATOM 0 HB3 TRP A 216 -7.749 6.468 6.564 1.00 2.34 H new ATOM 0 HD1 TRP A 216 -10.892 8.682 5.784 1.00 3.17 H new ATOM 0 HE1 TRP A 216 -10.095 11.097 5.314 1.00 3.82 H new ATOM 0 HE3 TRP A 216 -5.876 7.954 6.420 1.00 3.35 H new ATOM 0 HZ2 TRP A 216 -7.636 12.464 5.237 1.00 4.68 H new ATOM 0 HZ3 TRP A 216 -4.357 9.871 6.135 1.00 4.17 H new ATOM 0 HH2 TRP A 216 -5.230 12.098 5.556 1.00 4.80 H new ATOM 1076 N LEU A 217 -7.964 5.175 3.522 1.00 1.74 N ATOM 1077 CA LEU A 217 -7.217 5.293 2.279 1.00 1.56 C ATOM 1078 C LEU A 217 -7.884 4.517 1.145 1.00 1.52 C ATOM 1079 O LEU A 217 -7.251 4.229 0.130 1.00 1.41 O ATOM 1080 CB LEU A 217 -5.780 4.794 2.486 1.00 1.37 C ATOM 1081 CG LEU A 217 -4.917 5.663 3.403 1.00 1.49 C ATOM 1082 CD1 LEU A 217 -5.350 5.516 4.845 1.00 2.13 C ATOM 1083 CD2 LEU A 217 -3.448 5.302 3.267 1.00 1.78 C ATOM 0 H LEU A 217 -7.822 4.292 4.013 1.00 1.74 H new ATOM 0 HA LEU A 217 -7.201 6.345 1.995 1.00 1.56 H new ATOM 0 HB2 LEU A 217 -5.818 3.785 2.897 1.00 1.37 H new ATOM 0 HB3 LEU A 217 -5.293 4.724 1.514 1.00 1.37 H new ATOM 0 HG LEU A 217 -5.051 6.701 3.099 1.00 1.49 H new ATOM 0 HD11 LEU A 217 -4.723 6.143 5.479 1.00 2.13 H new ATOM 0 HD12 LEU A 217 -6.391 5.825 4.946 1.00 2.13 H new ATOM 0 HD13 LEU A 217 -5.249 4.475 5.151 1.00 2.13 H new ATOM 0 HD21 LEU A 217 -2.855 5.934 3.929 1.00 1.78 H new ATOM 0 HD22 LEU A 217 -3.304 4.256 3.538 1.00 1.78 H new ATOM 0 HD23 LEU A 217 -3.129 5.457 2.236 1.00 1.78 H new ATOM 1095 N THR A 218 -9.157 4.183 1.318 1.00 1.67 N ATOM 1096 CA THR A 218 -9.911 3.477 0.287 1.00 1.73 C ATOM 1097 C THR A 218 -9.979 4.297 -1.004 1.00 1.80 C ATOM 1098 O THR A 218 -9.909 5.527 -0.977 1.00 1.87 O ATOM 1099 CB THR A 218 -11.353 3.213 0.741 1.00 1.96 C ATOM 1100 OG1 THR A 218 -11.390 2.912 2.142 1.00 2.01 O ATOM 1101 CG2 THR A 218 -11.970 2.067 -0.041 1.00 2.03 C ATOM 0 H THR A 218 -9.690 4.389 2.163 1.00 1.67 H new ATOM 0 HA THR A 218 -9.392 2.535 0.110 1.00 1.73 H new ATOM 0 HB THR A 218 -11.932 4.117 0.551 1.00 1.96 H new ATOM 0 HG1 THR A 218 -12.316 2.748 2.417 1.00 2.01 H new ATOM 0 HG21 THR A 218 -12.992 1.902 0.301 1.00 2.03 H new ATOM 0 HG22 THR A 218 -11.978 2.314 -1.103 1.00 2.03 H new ATOM 0 HG23 THR A 218 -11.384 1.162 0.116 1.00 2.03 H new ATOM 1109 N GLY A 219 -10.129 3.605 -2.124 1.00 1.85 N ATOM 1110 CA GLY A 219 -10.277 4.259 -3.416 1.00 2.01 C ATOM 1111 C GLY A 219 -8.975 4.785 -3.992 1.00 1.92 C ATOM 1112 O GLY A 219 -8.813 4.857 -5.213 1.00 2.12 O ATOM 0 H GLY A 219 -10.151 2.586 -2.164 1.00 1.85 H new ATOM 0 HA2 GLY A 219 -10.716 3.553 -4.121 1.00 2.01 H new ATOM 0 HA3 GLY A 219 -10.979 5.087 -3.315 1.00 2.01 H new ATOM 1116 N GLU A 220 -8.050 5.144 -3.119 1.00 1.70 N ATOM 1117 CA GLU A 220 -6.801 5.768 -3.528 1.00 1.64 C ATOM 1118 C GLU A 220 -5.895 4.776 -4.250 1.00 1.53 C ATOM 1119 O GLU A 220 -6.113 3.561 -4.204 1.00 1.46 O ATOM 1120 CB GLU A 220 -6.073 6.322 -2.301 1.00 1.55 C ATOM 1121 CG GLU A 220 -6.912 7.277 -1.464 1.00 1.91 C ATOM 1122 CD GLU A 220 -7.316 8.523 -2.221 1.00 2.14 C ATOM 1123 OE1 GLU A 220 -6.498 9.461 -2.308 1.00 2.60 O ATOM 1124 OE2 GLU A 220 -8.454 8.579 -2.726 1.00 2.61 O ATOM 0 H GLU A 220 -8.141 5.013 -2.112 1.00 1.70 H new ATOM 0 HA GLU A 220 -7.040 6.579 -4.217 1.00 1.64 H new ATOM 0 HB2 GLU A 220 -5.754 5.490 -1.674 1.00 1.55 H new ATOM 0 HB3 GLU A 220 -5.171 6.839 -2.629 1.00 1.55 H new ATOM 0 HG2 GLU A 220 -7.808 6.760 -1.121 1.00 1.91 H new ATOM 0 HG3 GLU A 220 -6.349 7.564 -0.576 1.00 1.91 H new ATOM 1131 N GLU A 221 -4.900 5.307 -4.939 1.00 1.59 N ATOM 1132 CA GLU A 221 -3.845 4.494 -5.506 1.00 1.54 C ATOM 1133 C GLU A 221 -2.546 4.805 -4.795 1.00 1.38 C ATOM 1134 O GLU A 221 -2.063 5.937 -4.808 1.00 1.49 O ATOM 1135 CB GLU A 221 -3.701 4.741 -7.005 1.00 1.83 C ATOM 1136 CG GLU A 221 -4.897 4.279 -7.818 1.00 2.05 C ATOM 1137 CD GLU A 221 -4.856 4.769 -9.249 1.00 2.55 C ATOM 1138 OE1 GLU A 221 -4.032 4.256 -10.035 1.00 3.04 O ATOM 1139 OE2 GLU A 221 -5.655 5.665 -9.598 1.00 3.06 O ATOM 0 H GLU A 221 -4.803 6.306 -5.119 1.00 1.59 H new ATOM 0 HA GLU A 221 -4.099 3.443 -5.369 1.00 1.54 H new ATOM 0 HB2 GLU A 221 -3.547 5.807 -7.175 1.00 1.83 H new ATOM 0 HB3 GLU A 221 -2.809 4.228 -7.365 1.00 1.83 H new ATOM 0 HG2 GLU A 221 -4.936 3.190 -7.812 1.00 2.05 H new ATOM 0 HG3 GLU A 221 -5.812 4.633 -7.343 1.00 2.05 H new ATOM 1146 N LEU A 222 -2.000 3.794 -4.167 1.00 1.15 N ATOM 1147 CA LEU A 222 -0.799 3.945 -3.376 1.00 1.01 C ATOM 1148 C LEU A 222 0.422 3.572 -4.201 1.00 1.13 C ATOM 1149 O LEU A 222 0.303 2.906 -5.219 1.00 1.30 O ATOM 1150 CB LEU A 222 -0.900 3.060 -2.133 1.00 0.74 C ATOM 1151 CG LEU A 222 -1.995 3.447 -1.132 1.00 0.82 C ATOM 1152 CD1 LEU A 222 -1.849 2.655 0.158 1.00 1.27 C ATOM 1153 CD2 LEU A 222 -1.967 4.940 -0.846 1.00 1.24 C ATOM 0 H LEU A 222 -2.372 2.845 -4.188 1.00 1.15 H new ATOM 0 HA LEU A 222 -0.694 4.985 -3.066 1.00 1.01 H new ATOM 0 HB2 LEU A 222 -1.072 2.032 -2.453 1.00 0.74 H new ATOM 0 HB3 LEU A 222 0.061 3.077 -1.618 1.00 0.74 H new ATOM 0 HG LEU A 222 -2.959 3.204 -1.578 1.00 0.82 H new ATOM 0 HD11 LEU A 222 -2.636 2.945 0.854 1.00 1.27 H new ATOM 0 HD12 LEU A 222 -1.930 1.590 -0.058 1.00 1.27 H new ATOM 0 HD13 LEU A 222 -0.876 2.862 0.604 1.00 1.27 H new ATOM 0 HD21 LEU A 222 -2.753 5.189 -0.133 1.00 1.24 H new ATOM 0 HD22 LEU A 222 -0.998 5.212 -0.427 1.00 1.24 H new ATOM 0 HD23 LEU A 222 -2.129 5.491 -1.772 1.00 1.24 H new ATOM 1165 N HIS A 223 1.588 4.028 -3.780 1.00 1.13 N ATOM 1166 CA HIS A 223 2.831 3.705 -4.469 1.00 1.30 C ATOM 1167 C HIS A 223 3.869 3.269 -3.453 1.00 1.19 C ATOM 1168 O HIS A 223 4.239 4.039 -2.578 1.00 1.19 O ATOM 1169 CB HIS A 223 3.363 4.914 -5.250 1.00 1.64 C ATOM 1170 CG HIS A 223 2.437 5.405 -6.318 1.00 1.93 C ATOM 1171 ND1 HIS A 223 2.469 4.943 -7.617 1.00 2.62 N ATOM 1172 CD2 HIS A 223 1.445 6.321 -6.271 1.00 2.09 C ATOM 1173 CE1 HIS A 223 1.533 5.552 -8.320 1.00 3.31 C ATOM 1174 NE2 HIS A 223 0.898 6.392 -7.525 1.00 2.97 N ATOM 0 H HIS A 223 1.703 4.626 -2.961 1.00 1.13 H new ATOM 0 HA HIS A 223 2.632 2.900 -5.176 1.00 1.30 H new ATOM 0 HB2 HIS A 223 3.559 5.727 -4.551 1.00 1.64 H new ATOM 0 HB3 HIS A 223 4.317 4.648 -5.705 1.00 1.64 H new ATOM 0 HD2 HIS A 223 1.140 6.891 -5.406 1.00 2.09 H new ATOM 0 HE1 HIS A 223 1.323 5.391 -9.367 1.00 3.31 H new ATOM 0 HE2 HIS A 223 0.124 6.997 -7.800 1.00 2.97 H new ATOM 1183 N VAL A 224 4.330 2.042 -3.557 1.00 1.19 N ATOM 1184 CA VAL A 224 5.272 1.513 -2.592 1.00 1.14 C ATOM 1185 C VAL A 224 6.692 1.522 -3.141 1.00 1.40 C ATOM 1186 O VAL A 224 6.950 1.122 -4.279 1.00 1.58 O ATOM 1187 CB VAL A 224 4.888 0.090 -2.134 1.00 1.02 C ATOM 1188 CG1 VAL A 224 5.889 -0.458 -1.123 1.00 1.23 C ATOM 1189 CG2 VAL A 224 3.503 0.095 -1.527 1.00 1.10 C ATOM 0 H VAL A 224 4.069 1.392 -4.298 1.00 1.19 H new ATOM 0 HA VAL A 224 5.232 2.169 -1.723 1.00 1.14 H new ATOM 0 HB VAL A 224 4.900 -0.557 -3.011 1.00 1.02 H new ATOM 0 HG11 VAL A 224 5.589 -1.462 -0.821 1.00 1.23 H new ATOM 0 HG12 VAL A 224 6.880 -0.496 -1.576 1.00 1.23 H new ATOM 0 HG13 VAL A 224 5.915 0.191 -0.248 1.00 1.23 H new ATOM 0 HG21 VAL A 224 3.242 -0.914 -1.207 1.00 1.10 H new ATOM 0 HG22 VAL A 224 3.485 0.764 -0.667 1.00 1.10 H new ATOM 0 HG23 VAL A 224 2.782 0.438 -2.269 1.00 1.10 H new ATOM 1199 N GLU A 225 7.595 1.985 -2.301 1.00 1.47 N ATOM 1200 CA GLU A 225 9.003 2.057 -2.604 1.00 1.74 C ATOM 1201 C GLU A 225 9.707 0.998 -1.779 1.00 1.75 C ATOM 1202 O GLU A 225 9.066 0.278 -1.020 1.00 1.70 O ATOM 1203 CB GLU A 225 9.547 3.433 -2.222 1.00 1.91 C ATOM 1204 CG GLU A 225 8.670 4.586 -2.670 1.00 1.95 C ATOM 1205 CD GLU A 225 8.692 4.816 -4.167 1.00 2.31 C ATOM 1206 OE1 GLU A 225 7.924 4.158 -4.893 1.00 2.72 O ATOM 1207 OE2 GLU A 225 9.472 5.681 -4.622 1.00 2.74 O ATOM 0 H GLU A 225 7.362 2.328 -1.369 1.00 1.47 H new ATOM 0 HA GLU A 225 9.168 1.896 -3.669 1.00 1.74 H new ATOM 0 HB2 GLU A 225 9.665 3.478 -1.139 1.00 1.91 H new ATOM 0 HB3 GLU A 225 10.539 3.554 -2.656 1.00 1.91 H new ATOM 0 HG2 GLU A 225 7.644 4.396 -2.355 1.00 1.95 H new ATOM 0 HG3 GLU A 225 8.995 5.496 -2.166 1.00 1.95 H new ATOM 1214 N VAL A 226 11.002 0.883 -1.932 1.00 1.95 N ATOM 1215 CA VAL A 226 11.780 -0.001 -1.085 1.00 2.02 C ATOM 1216 C VAL A 226 12.737 0.799 -0.211 1.00 2.19 C ATOM 1217 O VAL A 226 13.416 1.708 -0.694 1.00 2.37 O ATOM 1218 CB VAL A 226 12.566 -1.019 -1.910 1.00 2.21 C ATOM 1219 CG1 VAL A 226 13.452 -1.883 -1.026 1.00 2.61 C ATOM 1220 CG2 VAL A 226 11.623 -1.883 -2.727 1.00 2.56 C ATOM 0 H VAL A 226 11.544 1.388 -2.633 1.00 1.95 H new ATOM 0 HA VAL A 226 11.079 -0.542 -0.449 1.00 2.02 H new ATOM 0 HB VAL A 226 13.213 -0.468 -2.592 1.00 2.21 H new ATOM 0 HG11 VAL A 226 13.997 -2.596 -1.644 1.00 2.61 H new ATOM 0 HG12 VAL A 226 14.160 -1.250 -0.491 1.00 2.61 H new ATOM 0 HG13 VAL A 226 12.834 -2.423 -0.308 1.00 2.61 H new ATOM 0 HG21 VAL A 226 12.200 -2.602 -3.308 1.00 2.56 H new ATOM 0 HG22 VAL A 226 10.947 -2.416 -2.059 1.00 2.56 H new ATOM 0 HG23 VAL A 226 11.044 -1.252 -3.402 1.00 2.56 H new ATOM 1230 N LEU A 227 12.779 0.473 1.073 1.00 2.19 N ATOM 1231 CA LEU A 227 13.732 1.083 1.982 1.00 2.40 C ATOM 1232 C LEU A 227 15.103 0.461 1.771 1.00 2.69 C ATOM 1233 O LEU A 227 15.495 -0.459 2.492 1.00 2.86 O ATOM 1234 CB LEU A 227 13.308 0.899 3.447 1.00 2.48 C ATOM 1235 CG LEU A 227 12.374 1.964 4.038 1.00 2.38 C ATOM 1236 CD1 LEU A 227 12.983 3.350 3.921 1.00 2.74 C ATOM 1237 CD2 LEU A 227 11.015 1.923 3.378 1.00 2.55 C ATOM 0 H LEU A 227 12.161 -0.213 1.507 1.00 2.19 H new ATOM 0 HA LEU A 227 13.767 2.152 1.770 1.00 2.40 H new ATOM 0 HB2 LEU A 227 12.819 -0.071 3.539 1.00 2.48 H new ATOM 0 HB3 LEU A 227 14.209 0.861 4.059 1.00 2.48 H new ATOM 0 HG LEU A 227 12.244 1.738 5.096 1.00 2.38 H new ATOM 0 HD11 LEU A 227 12.300 4.085 4.347 1.00 2.74 H new ATOM 0 HD12 LEU A 227 13.930 3.378 4.461 1.00 2.74 H new ATOM 0 HD13 LEU A 227 13.157 3.583 2.871 1.00 2.74 H new ATOM 0 HD21 LEU A 227 10.374 2.688 3.816 1.00 2.55 H new ATOM 0 HD22 LEU A 227 11.124 2.109 2.310 1.00 2.55 H new ATOM 0 HD23 LEU A 227 10.566 0.942 3.531 1.00 2.55 H new ATOM 1249 N GLU A 228 15.818 0.939 0.765 1.00 2.89 N ATOM 1250 CA GLU A 228 17.156 0.450 0.494 1.00 3.28 C ATOM 1251 C GLU A 228 18.116 0.969 1.548 1.00 3.62 C ATOM 1252 O GLU A 228 18.606 2.096 1.462 1.00 3.77 O ATOM 1253 CB GLU A 228 17.612 0.869 -0.901 1.00 3.52 C ATOM 1254 CG GLU A 228 16.789 0.245 -2.014 1.00 3.43 C ATOM 1255 CD GLU A 228 17.290 0.615 -3.393 1.00 3.89 C ATOM 1256 OE1 GLU A 228 18.236 -0.041 -3.882 1.00 4.27 O ATOM 1257 OE2 GLU A 228 16.734 1.553 -4.003 1.00 4.21 O ATOM 0 H GLU A 228 15.493 1.664 0.125 1.00 2.89 H new ATOM 0 HA GLU A 228 17.146 -0.639 0.531 1.00 3.28 H new ATOM 0 HB2 GLU A 228 17.557 1.955 -0.983 1.00 3.52 H new ATOM 0 HB3 GLU A 228 18.658 0.592 -1.033 1.00 3.52 H new ATOM 0 HG2 GLU A 228 16.804 -0.840 -1.906 1.00 3.43 H new ATOM 0 HG3 GLU A 228 15.751 0.561 -1.913 1.00 3.43 H new ATOM 1264 N ASN A 229 18.379 0.140 2.546 1.00 3.90 N ATOM 1265 CA ASN A 229 19.248 0.525 3.642 1.00 4.35 C ATOM 1266 C ASN A 229 20.704 0.312 3.259 1.00 4.71 C ATOM 1267 O ASN A 229 21.404 -0.533 3.826 1.00 5.25 O ATOM 1268 CB ASN A 229 18.903 -0.254 4.912 1.00 4.89 C ATOM 1269 CG ASN A 229 19.652 0.259 6.130 1.00 5.38 C ATOM 1270 OD1 ASN A 229 19.972 -0.504 7.038 1.00 6.02 O ATOM 1271 ND2 ASN A 229 19.933 1.557 6.160 1.00 5.46 N ATOM 0 H ASN A 229 18.001 -0.805 2.618 1.00 3.90 H new ATOM 0 HA ASN A 229 19.094 1.584 3.847 1.00 4.35 H new ATOM 0 HB2 ASN A 229 17.830 -0.188 5.095 1.00 4.89 H new ATOM 0 HB3 ASN A 229 19.137 -1.308 4.763 1.00 4.89 H new ATOM 0 HD21 ASN A 229 20.432 1.953 6.957 1.00 5.46 H new ATOM 0 HD22 ASN A 229 19.650 2.158 5.386 1.00 5.46 H new ATOM 1278 N VAL A 230 21.132 1.067 2.263 1.00 4.84 N ATOM 1279 CA VAL A 230 22.519 1.069 1.830 1.00 5.65 C ATOM 1280 C VAL A 230 23.436 1.489 2.978 1.00 6.11 C ATOM 1281 O VAL A 230 23.131 2.436 3.706 1.00 6.23 O ATOM 1282 CB VAL A 230 22.726 2.011 0.626 1.00 6.17 C ATOM 1283 CG1 VAL A 230 22.181 1.374 -0.643 1.00 6.18 C ATOM 1284 CG2 VAL A 230 22.050 3.352 0.871 1.00 6.20 C ATOM 0 H VAL A 230 20.529 1.695 1.732 1.00 4.84 H new ATOM 0 HA VAL A 230 22.772 0.055 1.522 1.00 5.65 H new ATOM 0 HB VAL A 230 23.796 2.180 0.504 1.00 6.17 H new ATOM 0 HG11 VAL A 230 22.334 2.050 -1.484 1.00 6.18 H new ATOM 0 HG12 VAL A 230 22.703 0.436 -0.832 1.00 6.18 H new ATOM 0 HG13 VAL A 230 21.115 1.179 -0.523 1.00 6.18 H new ATOM 0 HG21 VAL A 230 22.208 4.002 0.010 1.00 6.20 H new ATOM 0 HG22 VAL A 230 20.981 3.199 1.019 1.00 6.20 H new ATOM 0 HG23 VAL A 230 22.476 3.817 1.760 1.00 6.20 H new ATOM 1294 N PRO A 231 24.555 0.773 3.173 1.00 6.66 N ATOM 1295 CA PRO A 231 25.499 1.061 4.254 1.00 7.30 C ATOM 1296 C PRO A 231 26.267 2.358 4.017 1.00 7.91 C ATOM 1297 O PRO A 231 27.360 2.352 3.448 1.00 8.56 O ATOM 1298 CB PRO A 231 26.462 -0.136 4.243 1.00 7.94 C ATOM 1299 CG PRO A 231 25.850 -1.143 3.326 1.00 7.85 C ATOM 1300 CD PRO A 231 25.000 -0.370 2.363 1.00 6.99 C ATOM 0 HA PRO A 231 24.986 1.194 5.206 1.00 7.30 H new ATOM 0 HB2 PRO A 231 27.451 0.161 3.893 1.00 7.94 H new ATOM 0 HB3 PRO A 231 26.588 -0.546 5.245 1.00 7.94 H new ATOM 0 HG2 PRO A 231 26.619 -1.708 2.799 1.00 7.85 H new ATOM 0 HG3 PRO A 231 25.251 -1.863 3.883 1.00 7.85 H new ATOM 0 HD2 PRO A 231 25.567 -0.051 1.488 1.00 6.99 H new ATOM 0 HD3 PRO A 231 24.159 -0.961 2.000 1.00 6.99 H new ATOM 1308 N LEU A 232 25.689 3.465 4.442 1.00 7.96 N ATOM 1309 CA LEU A 232 26.334 4.758 4.311 1.00 8.80 C ATOM 1310 C LEU A 232 26.680 5.299 5.689 1.00 9.24 C ATOM 1311 O LEU A 232 25.889 6.092 6.233 1.00 9.53 O ATOM 1312 CB LEU A 232 25.426 5.745 3.566 1.00 9.17 C ATOM 1313 CG LEU A 232 24.998 5.319 2.159 1.00 9.63 C ATOM 1314 CD1 LEU A 232 24.093 6.372 1.540 1.00 10.10 C ATOM 1315 CD2 LEU A 232 26.212 5.078 1.274 1.00 10.02 C ATOM 1316 OXT LEU A 232 27.731 4.906 6.236 1.00 9.52 O ATOM 0 H LEU A 232 24.770 3.495 4.883 1.00 7.96 H new ATOM 0 HA LEU A 232 27.250 4.636 3.732 1.00 8.80 H new ATOM 0 HB2 LEU A 232 24.530 5.909 4.165 1.00 9.17 H new ATOM 0 HB3 LEU A 232 25.942 6.703 3.495 1.00 9.17 H new ATOM 0 HG LEU A 232 24.443 4.384 2.239 1.00 9.63 H new ATOM 0 HD11 LEU A 232 23.797 6.055 0.540 1.00 10.10 H new ATOM 0 HD12 LEU A 232 23.204 6.497 2.159 1.00 10.10 H new ATOM 0 HD13 LEU A 232 24.628 7.320 1.477 1.00 10.10 H new ATOM 0 HD21 LEU A 232 25.883 4.776 0.280 1.00 10.02 H new ATOM 0 HD22 LEU A 232 26.796 5.995 1.200 1.00 10.02 H new ATOM 0 HD23 LEU A 232 26.827 4.290 1.707 1.00 10.02 H new TER 1328 LEU A 232 HETATM 1329 C1 6FS A 301 -12.151 -10.011 -5.191 1.00 3.29 C HETATM 1330 C2 6FS A 301 -11.061 -10.783 -5.615 1.00 3.29 C HETATM 1331 C3 6FS A 301 -9.757 -10.374 -5.369 1.00 2.95 C HETATM 1332 C5 6FS A 301 -10.626 -8.393 -4.259 1.00 2.66 C HETATM 1333 C6 6FS A 301 -11.934 -8.811 -4.514 1.00 2.96 C HETATM 1334 C7 6FS A 301 -12.621 -6.854 -3.435 1.00 2.75 C HETATM 1335 C8 6FS A 301 -8.171 -7.574 -3.768 1.00 2.39 C HETATM 1336 C10 6FS A 301 -12.578 -12.298 -6.493 1.00 4.10 C HETATM 1337 C11 6FS A 301 -7.197 -10.880 -5.573 1.00 2.90 C HETATM 1338 C12 6FS A 301 -4.309 -11.396 -5.806 1.00 2.77 C HETATM 1339 C13 6FS A 301 -4.860 -9.235 -6.834 1.00 2.69 C HETATM 1340 C14 6FS A 301 -4.476 -8.141 -7.614 1.00 2.61 C HETATM 1341 C15 6FS A 301 -3.186 -8.085 -8.140 1.00 2.60 C HETATM 1342 C16 6FS A 301 -2.283 -9.100 -7.863 1.00 2.84 C HETATM 1343 C19 6FS A 301 -3.746 -6.087 -9.250 1.00 2.56 C HETATM 1344 C21 6FS A 301 1.304 -9.468 -8.741 1.00 4.50 C HETATM 1345 O7 6FS A 301 2.016 -8.727 -8.030 1.00 4.92 O HETATM 1346 S1 6FS A 301 -6.004 -11.978 -6.232 1.00 3.00 S HETATM 1347 C18 6FS A 301 -3.950 -10.269 -6.571 1.00 2.66 C HETATM 1348 O8 6FS A 301 1.564 -9.837 -9.907 1.00 4.93 O HETATM 1349 O4 6FS A 301 -6.232 -13.390 -5.662 1.00 3.29 O HETATM 1350 O3 6FS A 301 -11.200 -11.969 -6.287 1.00 3.71 O HETATM 1351 O6 6FS A 301 -2.752 -7.104 -9.006 1.00 2.67 O HETATM 1352 C17 6FS A 301 -2.656 -10.191 -7.086 1.00 2.83 C HETATM 1353 C9 6FS A 301 -8.688 -11.178 -5.807 1.00 3.01 C HETATM 1354 O1 6FS A 301 -13.015 -8.063 -4.113 1.00 3.05 O HETATM 1355 C4 6FS A 301 -9.547 -9.174 -4.687 1.00 2.66 C HETATM 1356 C20 6FS A 301 -0.004 -9.972 -8.127 1.00 3.90 C HETATM 1357 O5 6FS A 301 -6.159 -12.035 -7.759 1.00 3.37 O HETATM 1358 N1 6FS A 301 -1.052 -8.963 -8.351 1.00 3.31 N HETATM 1359 O2 6FS A 301 -8.256 -8.809 -4.474 1.00 2.53 O