USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=19 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 201 GLN : amide:sc= 0.747 K(o=1.6,f=-2.6) USER MOD Set 1.2: A 206 LYS NZ :NH3+ 136:sc= 0.84 (180deg=-0.0182) USER MOD Set 2.1: A 167 THR OG1 : rot 130:sc= -0.139 USER MOD Set 2.2: A 187 MET CE :methyl -123:sc= -0.178 (180deg=-0.402) USER MOD Single : A 151 SER OG : rot -97:sc= 0.233 USER MOD Single : A 153 GLN : amide:sc= -0.381 X(o=-0.38,f=0) USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 163 ASN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 164 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 165 GLN : amide:sc= -0.223 K(o=-0.22,f=-2.8!) USER MOD Single : A 173 CYS SG : rot 180:sc= 0 USER MOD Single : A 176 THR OG1 : rot -170:sc= -1.28 USER MOD Single : A 180 SER OG : rot -50:sc= -1.45 USER MOD Single : A 182 LYS NZ :NH3+ -160:sc= 1.29 (180deg=1.21) USER MOD Single : A 183 LYS NZ :NH3+ -149:sc= -0.154 (180deg=-1.23) USER MOD Single : A 186 MET CE :methyl -179:sc= -2.74! (180deg=-2.8!) USER MOD Single : A 194 CYS SG : rot -98:sc= -0.571 USER MOD Single : A 195 CYS SG : rot 8:sc= 0.201 USER MOD Single : A 198 TYR OH : rot 180:sc= 0 USER MOD Single : A 205 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 212 THR OG1 : rot 91:sc= 0.216 USER MOD Single : A 215 SER OG : rot -21:sc= 0.102 USER MOD Single : A 218 THR OG1 : rot 180:sc= 0.0532 USER MOD Single : A 223 HIS : no HE2:sc= -1.59 K(o=-1.6,f=-5.4) USER MOD Single : A 229 ASN :FLIP amide:sc= -0.202 F(o=-3.1!,f=-0.2) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 151 -19.407 -9.335 -1.420 1.00 6.61 N ATOM 2 CA SER A 151 -19.581 -8.275 -0.409 1.00 6.05 C ATOM 3 C SER A 151 -20.150 -7.021 -1.065 1.00 5.15 C ATOM 4 O SER A 151 -19.466 -6.354 -1.840 1.00 5.07 O ATOM 5 CB SER A 151 -18.236 -7.964 0.253 1.00 6.53 C ATOM 6 OG SER A 151 -18.391 -7.074 1.347 1.00 7.11 O ATOM 0 HA SER A 151 -20.278 -8.618 0.355 1.00 6.05 H new ATOM 0 HB2 SER A 151 -17.776 -8.890 0.598 1.00 6.53 H new ATOM 0 HB3 SER A 151 -17.560 -7.526 -0.481 1.00 6.53 H new ATOM 0 HG SER A 151 -18.207 -6.158 1.052 1.00 7.11 H new ATOM 12 N PRO A 152 -21.428 -6.703 -0.769 1.00 4.86 N ATOM 13 CA PRO A 152 -22.115 -5.527 -1.326 1.00 4.47 C ATOM 14 C PRO A 152 -21.341 -4.238 -1.081 1.00 4.11 C ATOM 15 O PRO A 152 -21.243 -3.384 -1.960 1.00 4.17 O ATOM 16 CB PRO A 152 -23.449 -5.499 -0.577 1.00 4.91 C ATOM 17 CG PRO A 152 -23.672 -6.906 -0.150 1.00 5.35 C ATOM 18 CD PRO A 152 -22.308 -7.471 0.132 1.00 5.39 C ATOM 0 HA PRO A 152 -22.224 -5.596 -2.408 1.00 4.47 H new ATOM 0 HB2 PRO A 152 -23.408 -4.827 0.280 1.00 4.91 H new ATOM 0 HB3 PRO A 152 -24.256 -5.147 -1.219 1.00 4.91 H new ATOM 0 HG2 PRO A 152 -24.304 -6.950 0.737 1.00 5.35 H new ATOM 0 HG3 PRO A 152 -24.177 -7.476 -0.930 1.00 5.35 H new ATOM 0 HD2 PRO A 152 -22.027 -7.340 1.177 1.00 5.39 H new ATOM 0 HD3 PRO A 152 -22.264 -8.540 -0.078 1.00 5.39 H new ATOM 26 N GLN A 153 -20.803 -4.099 0.121 1.00 3.91 N ATOM 27 CA GLN A 153 -19.932 -2.980 0.429 1.00 3.65 C ATOM 28 C GLN A 153 -18.484 -3.432 0.348 1.00 3.35 C ATOM 29 O GLN A 153 -17.963 -4.045 1.280 1.00 3.36 O ATOM 30 CB GLN A 153 -20.219 -2.423 1.822 1.00 3.78 C ATOM 31 CG GLN A 153 -19.409 -1.179 2.127 1.00 4.13 C ATOM 32 CD GLN A 153 -19.465 -0.765 3.587 1.00 4.41 C ATOM 33 OE1 GLN A 153 -18.508 -0.205 4.121 1.00 4.68 O ATOM 34 NE2 GLN A 153 -20.585 -1.024 4.239 1.00 4.84 N ATOM 0 H GLN A 153 -20.955 -4.746 0.895 1.00 3.91 H new ATOM 0 HA GLN A 153 -20.118 -2.189 -0.297 1.00 3.65 H new ATOM 0 HB2 GLN A 153 -21.281 -2.191 1.905 1.00 3.78 H new ATOM 0 HB3 GLN A 153 -20.000 -3.187 2.568 1.00 3.78 H new ATOM 0 HG2 GLN A 153 -18.370 -1.353 1.846 1.00 4.13 H new ATOM 0 HG3 GLN A 153 -19.773 -0.357 1.510 1.00 4.13 H new ATOM 0 HE21 GLN A 153 -21.357 -1.490 3.762 1.00 4.84 H new ATOM 0 HE22 GLN A 153 -20.678 -0.758 5.219 1.00 4.84 H new ATOM 43 N LYS A 154 -17.838 -3.142 -0.769 1.00 3.20 N ATOM 44 CA LYS A 154 -16.450 -3.526 -0.948 1.00 2.97 C ATOM 45 C LYS A 154 -15.595 -2.310 -1.301 1.00 2.72 C ATOM 46 O LYS A 154 -15.576 -1.847 -2.443 1.00 2.70 O ATOM 47 CB LYS A 154 -16.331 -4.631 -2.010 1.00 3.06 C ATOM 48 CG LYS A 154 -14.918 -5.190 -2.170 1.00 2.92 C ATOM 49 CD LYS A 154 -14.082 -4.371 -3.125 1.00 3.32 C ATOM 50 CE LYS A 154 -14.646 -4.405 -4.539 1.00 3.83 C ATOM 51 NZ LYS A 154 -13.821 -3.621 -5.494 1.00 4.47 N ATOM 0 H LYS A 154 -18.249 -2.646 -1.559 1.00 3.20 H new ATOM 0 HA LYS A 154 -16.074 -3.928 -0.007 1.00 2.97 H new ATOM 0 HB2 LYS A 154 -17.006 -5.446 -1.748 1.00 3.06 H new ATOM 0 HB3 LYS A 154 -16.665 -4.236 -2.969 1.00 3.06 H new ATOM 0 HG2 LYS A 154 -14.429 -5.220 -1.196 1.00 2.92 H new ATOM 0 HG3 LYS A 154 -14.975 -6.217 -2.530 1.00 2.92 H new ATOM 0 HD2 LYS A 154 -14.037 -3.339 -2.776 1.00 3.32 H new ATOM 0 HD3 LYS A 154 -13.060 -4.751 -3.132 1.00 3.32 H new ATOM 0 HE2 LYS A 154 -14.707 -5.439 -4.879 1.00 3.83 H new ATOM 0 HE3 LYS A 154 -15.662 -4.011 -4.532 1.00 3.83 H new ATOM 0 HZ1 LYS A 154 -14.244 -3.674 -6.443 1.00 4.47 H new ATOM 0 HZ2 LYS A 154 -13.783 -2.628 -5.186 1.00 4.47 H new ATOM 0 HZ3 LYS A 154 -12.858 -4.012 -5.522 1.00 4.47 H new ATOM 65 N PRO A 155 -14.924 -1.751 -0.292 1.00 2.57 N ATOM 66 CA PRO A 155 -13.941 -0.694 -0.464 1.00 2.35 C ATOM 67 C PRO A 155 -12.543 -1.265 -0.717 1.00 2.15 C ATOM 68 O PRO A 155 -12.125 -2.211 -0.049 1.00 2.14 O ATOM 69 CB PRO A 155 -14.004 0.019 0.883 1.00 2.38 C ATOM 70 CG PRO A 155 -14.297 -1.059 1.867 1.00 2.54 C ATOM 71 CD PRO A 155 -15.064 -2.123 1.124 1.00 2.69 C ATOM 0 HA PRO A 155 -14.141 -0.047 -1.319 1.00 2.35 H new ATOM 0 HB2 PRO A 155 -13.062 0.518 1.111 1.00 2.38 H new ATOM 0 HB3 PRO A 155 -14.781 0.784 0.890 1.00 2.38 H new ATOM 0 HG2 PRO A 155 -13.375 -1.465 2.283 1.00 2.54 H new ATOM 0 HG3 PRO A 155 -14.881 -0.673 2.703 1.00 2.54 H new ATOM 0 HD2 PRO A 155 -14.656 -3.115 1.317 1.00 2.69 H new ATOM 0 HD3 PRO A 155 -16.111 -2.144 1.428 1.00 2.69 H new ATOM 79 N ILE A 156 -11.823 -0.708 -1.677 1.00 2.02 N ATOM 80 CA ILE A 156 -10.460 -1.147 -1.953 1.00 1.83 C ATOM 81 C ILE A 156 -9.543 0.044 -2.208 1.00 1.65 C ATOM 82 O ILE A 156 -10.002 1.172 -2.412 1.00 1.71 O ATOM 83 CB ILE A 156 -10.387 -2.125 -3.151 1.00 1.96 C ATOM 84 CG1 ILE A 156 -11.139 -1.600 -4.377 1.00 2.15 C ATOM 85 CG2 ILE A 156 -10.903 -3.497 -2.750 1.00 2.13 C ATOM 86 CD1 ILE A 156 -10.384 -0.552 -5.153 1.00 2.11 C ATOM 0 H ILE A 156 -12.156 0.046 -2.278 1.00 2.02 H new ATOM 0 HA ILE A 156 -10.122 -1.680 -1.064 1.00 1.83 H new ATOM 0 HB ILE A 156 -9.338 -2.211 -3.434 1.00 1.96 H new ATOM 0 HG12 ILE A 156 -11.364 -2.436 -5.039 1.00 2.15 H new ATOM 0 HG13 ILE A 156 -12.093 -1.183 -4.055 1.00 2.15 H new ATOM 0 HG21 ILE A 156 -10.844 -4.172 -3.604 1.00 2.13 H new ATOM 0 HG22 ILE A 156 -10.296 -3.890 -1.935 1.00 2.13 H new ATOM 0 HG23 ILE A 156 -11.940 -3.415 -2.423 1.00 2.13 H new ATOM 0 HD11 ILE A 156 -10.981 -0.230 -6.006 1.00 2.11 H new ATOM 0 HD12 ILE A 156 -10.182 0.303 -4.508 1.00 2.11 H new ATOM 0 HD13 ILE A 156 -9.442 -0.970 -5.507 1.00 2.11 H new ATOM 98 N VAL A 157 -8.254 -0.218 -2.172 1.00 1.45 N ATOM 99 CA VAL A 157 -7.249 0.759 -2.525 1.00 1.29 C ATOM 100 C VAL A 157 -6.144 0.086 -3.332 1.00 1.25 C ATOM 101 O VAL A 157 -5.551 -0.907 -2.901 1.00 1.18 O ATOM 102 CB VAL A 157 -6.678 1.484 -1.279 1.00 1.14 C ATOM 103 CG1 VAL A 157 -6.471 0.535 -0.114 1.00 1.44 C ATOM 104 CG2 VAL A 157 -5.389 2.204 -1.621 1.00 1.67 C ATOM 0 H VAL A 157 -7.872 -1.122 -1.895 1.00 1.45 H new ATOM 0 HA VAL A 157 -7.719 1.528 -3.138 1.00 1.29 H new ATOM 0 HB VAL A 157 -7.417 2.222 -0.967 1.00 1.14 H new ATOM 0 HG11 VAL A 157 -6.070 1.086 0.737 1.00 1.44 H new ATOM 0 HG12 VAL A 157 -7.424 0.084 0.162 1.00 1.44 H new ATOM 0 HG13 VAL A 157 -5.770 -0.248 -0.403 1.00 1.44 H new ATOM 0 HG21 VAL A 157 -5.006 2.706 -0.733 1.00 1.67 H new ATOM 0 HG22 VAL A 157 -4.653 1.483 -1.977 1.00 1.67 H new ATOM 0 HG23 VAL A 157 -5.580 2.942 -2.400 1.00 1.67 H new ATOM 114 N ARG A 158 -5.912 0.607 -4.525 1.00 1.38 N ATOM 115 CA ARG A 158 -4.959 0.022 -5.455 1.00 1.47 C ATOM 116 C ARG A 158 -3.542 0.445 -5.109 1.00 1.29 C ATOM 117 O ARG A 158 -3.159 1.598 -5.286 1.00 1.32 O ATOM 118 CB ARG A 158 -5.302 0.434 -6.880 1.00 1.78 C ATOM 119 CG ARG A 158 -6.690 -0.006 -7.315 1.00 2.00 C ATOM 120 CD ARG A 158 -7.067 0.620 -8.643 1.00 2.31 C ATOM 121 NE ARG A 158 -8.477 0.424 -8.969 1.00 2.65 N ATOM 122 CZ ARG A 158 -9.353 1.420 -9.116 1.00 2.95 C ATOM 123 NH1 ARG A 158 -8.992 2.673 -8.868 1.00 3.05 N ATOM 124 NH2 ARG A 158 -10.600 1.162 -9.484 1.00 3.61 N ATOM 0 H ARG A 158 -6.377 1.444 -4.876 1.00 1.38 H new ATOM 0 HA ARG A 158 -5.019 -1.064 -5.377 1.00 1.47 H new ATOM 0 HB2 ARG A 158 -5.229 1.518 -6.965 1.00 1.78 H new ATOM 0 HB3 ARG A 158 -4.564 0.010 -7.561 1.00 1.78 H new ATOM 0 HG2 ARG A 158 -6.721 -1.092 -7.399 1.00 2.00 H new ATOM 0 HG3 ARG A 158 -7.419 0.276 -6.556 1.00 2.00 H new ATOM 0 HD2 ARG A 158 -6.848 1.687 -8.614 1.00 2.31 H new ATOM 0 HD3 ARG A 158 -6.451 0.190 -9.433 1.00 2.31 H new ATOM 0 HE ARG A 158 -8.812 -0.531 -9.092 1.00 2.65 H new ATOM 0 HH11 ARG A 158 -8.041 2.879 -8.563 1.00 3.05 H new ATOM 0 HH12 ARG A 158 -9.666 3.430 -8.982 1.00 3.05 H new ATOM 0 HH21 ARG A 158 -10.892 0.200 -9.656 1.00 3.61 H new ATOM 0 HH22 ARG A 158 -11.267 1.925 -9.595 1.00 3.61 H new ATOM 138 N VAL A 159 -2.782 -0.505 -4.617 1.00 1.17 N ATOM 139 CA VAL A 159 -1.422 -0.274 -4.169 1.00 1.00 C ATOM 140 C VAL A 159 -0.409 -0.680 -5.230 1.00 1.24 C ATOM 141 O VAL A 159 -0.241 -1.859 -5.519 1.00 1.40 O ATOM 142 CB VAL A 159 -1.157 -1.067 -2.876 1.00 0.77 C ATOM 143 CG1 VAL A 159 0.317 -1.044 -2.507 1.00 0.79 C ATOM 144 CG2 VAL A 159 -1.996 -0.505 -1.744 1.00 0.68 C ATOM 0 H VAL A 159 -3.091 -1.472 -4.514 1.00 1.17 H new ATOM 0 HA VAL A 159 -1.309 0.794 -3.980 1.00 1.00 H new ATOM 0 HB VAL A 159 -1.439 -2.106 -3.048 1.00 0.77 H new ATOM 0 HG11 VAL A 159 0.471 -1.612 -1.590 1.00 0.79 H new ATOM 0 HG12 VAL A 159 0.901 -1.489 -3.313 1.00 0.79 H new ATOM 0 HG13 VAL A 159 0.638 -0.014 -2.353 1.00 0.79 H new ATOM 0 HG21 VAL A 159 -1.803 -1.071 -0.833 1.00 0.68 H new ATOM 0 HG22 VAL A 159 -1.736 0.541 -1.583 1.00 0.68 H new ATOM 0 HG23 VAL A 159 -3.052 -0.581 -2.002 1.00 0.68 H new ATOM 154 N PHE A 160 0.264 0.295 -5.811 1.00 1.35 N ATOM 155 CA PHE A 160 1.288 0.016 -6.801 1.00 1.60 C ATOM 156 C PHE A 160 2.545 -0.495 -6.118 1.00 1.50 C ATOM 157 O PHE A 160 3.294 0.262 -5.514 1.00 1.42 O ATOM 158 CB PHE A 160 1.589 1.255 -7.650 1.00 1.81 C ATOM 159 CG PHE A 160 0.478 1.611 -8.603 1.00 2.01 C ATOM 160 CD1 PHE A 160 -0.829 1.707 -8.155 1.00 1.91 C ATOM 161 CD2 PHE A 160 0.743 1.859 -9.940 1.00 2.34 C ATOM 162 CE1 PHE A 160 -1.853 2.038 -9.018 1.00 2.13 C ATOM 163 CE2 PHE A 160 -0.279 2.191 -10.809 1.00 2.54 C ATOM 164 CZ PHE A 160 -1.578 2.279 -10.346 1.00 2.44 C ATOM 0 H PHE A 160 0.121 1.286 -5.615 1.00 1.35 H new ATOM 0 HA PHE A 160 0.917 -0.758 -7.473 1.00 1.60 H new ATOM 0 HB2 PHE A 160 1.777 2.102 -6.990 1.00 1.81 H new ATOM 0 HB3 PHE A 160 2.504 1.084 -8.217 1.00 1.81 H new ATOM 0 HD1 PHE A 160 -1.050 1.520 -7.114 1.00 1.91 H new ATOM 0 HD2 PHE A 160 1.757 1.792 -10.306 1.00 2.34 H new ATOM 0 HE1 PHE A 160 -2.867 2.108 -8.654 1.00 2.13 H new ATOM 0 HE2 PHE A 160 -0.062 2.382 -11.850 1.00 2.54 H new ATOM 0 HZ PHE A 160 -2.377 2.537 -11.025 1.00 2.44 H new ATOM 174 N LEU A 161 2.742 -1.796 -6.215 1.00 1.56 N ATOM 175 CA LEU A 161 3.864 -2.480 -5.598 1.00 1.52 C ATOM 176 C LEU A 161 5.194 -1.990 -6.165 1.00 1.73 C ATOM 177 O LEU A 161 5.239 -1.407 -7.252 1.00 1.95 O ATOM 178 CB LEU A 161 3.729 -3.976 -5.860 1.00 1.63 C ATOM 179 CG LEU A 161 2.386 -4.583 -5.468 1.00 1.54 C ATOM 180 CD1 LEU A 161 2.207 -5.919 -6.154 1.00 2.07 C ATOM 181 CD2 LEU A 161 2.286 -4.733 -3.962 1.00 1.85 C ATOM 0 H LEU A 161 2.119 -2.417 -6.732 1.00 1.56 H new ATOM 0 HA LEU A 161 3.853 -2.271 -4.528 1.00 1.52 H new ATOM 0 HB2 LEU A 161 3.897 -4.160 -6.921 1.00 1.63 H new ATOM 0 HB3 LEU A 161 4.518 -4.497 -5.317 1.00 1.63 H new ATOM 0 HG LEU A 161 1.589 -3.914 -5.791 1.00 1.54 H new ATOM 0 HD11 LEU A 161 1.246 -6.348 -5.870 1.00 2.07 H new ATOM 0 HD12 LEU A 161 2.237 -5.780 -7.235 1.00 2.07 H new ATOM 0 HD13 LEU A 161 3.008 -6.593 -5.852 1.00 2.07 H new ATOM 0 HD21 LEU A 161 1.321 -5.168 -3.703 1.00 1.85 H new ATOM 0 HD22 LEU A 161 3.084 -5.385 -3.607 1.00 1.85 H new ATOM 0 HD23 LEU A 161 2.381 -3.754 -3.492 1.00 1.85 H new ATOM 193 N PRO A 162 6.299 -2.233 -5.437 1.00 1.72 N ATOM 194 CA PRO A 162 7.647 -1.902 -5.907 1.00 1.96 C ATOM 195 C PRO A 162 7.928 -2.515 -7.275 1.00 2.24 C ATOM 196 O PRO A 162 7.399 -3.580 -7.598 1.00 2.27 O ATOM 197 CB PRO A 162 8.553 -2.530 -4.843 1.00 1.92 C ATOM 198 CG PRO A 162 7.715 -2.553 -3.616 1.00 1.65 C ATOM 199 CD PRO A 162 6.325 -2.847 -4.096 1.00 1.51 C ATOM 0 HA PRO A 162 7.796 -0.829 -6.029 1.00 1.96 H new ATOM 0 HB2 PRO A 162 8.867 -3.534 -5.130 1.00 1.92 H new ATOM 0 HB3 PRO A 162 9.459 -1.943 -4.695 1.00 1.92 H new ATOM 0 HG2 PRO A 162 8.060 -3.315 -2.917 1.00 1.65 H new ATOM 0 HG3 PRO A 162 7.757 -1.598 -3.092 1.00 1.65 H new ATOM 0 HD2 PRO A 162 6.131 -3.919 -4.139 1.00 1.51 H new ATOM 0 HD3 PRO A 162 5.571 -2.413 -3.439 1.00 1.51 H new ATOM 207 N ASN A 163 8.750 -1.829 -8.065 1.00 2.48 N ATOM 208 CA ASN A 163 9.100 -2.260 -9.424 1.00 2.78 C ATOM 209 C ASN A 163 7.926 -2.057 -10.379 1.00 2.84 C ATOM 210 O ASN A 163 7.824 -2.721 -11.412 1.00 3.05 O ATOM 211 CB ASN A 163 9.578 -3.720 -9.452 1.00 2.88 C ATOM 212 CG ASN A 163 10.834 -3.948 -8.626 1.00 3.09 C ATOM 213 OD1 ASN A 163 11.698 -2.946 -8.551 1.00 3.40 O flip ATOM 214 ND2 ASN A 163 11.027 -5.024 -8.057 1.00 3.47 N flip ATOM 0 H ASN A 163 9.196 -0.956 -7.784 1.00 2.48 H new ATOM 0 HA ASN A 163 9.929 -1.637 -9.760 1.00 2.78 H new ATOM 0 HB2 ASN A 163 8.782 -4.365 -9.079 1.00 2.88 H new ATOM 0 HB3 ASN A 163 9.770 -4.014 -10.484 1.00 2.88 H new ATOM 0 HD21 ASN A 163 10.340 -5.774 -8.137 1.00 3.47 H new ATOM 0 HD22 ASN A 163 11.874 -5.165 -7.506 1.00 3.47 H new ATOM 221 N LYS A 164 7.041 -1.133 -10.005 1.00 2.69 N ATOM 222 CA LYS A 164 5.953 -0.663 -10.864 1.00 2.78 C ATOM 223 C LYS A 164 4.894 -1.727 -11.144 1.00 2.78 C ATOM 224 O LYS A 164 4.305 -1.761 -12.226 1.00 3.01 O ATOM 225 CB LYS A 164 6.502 -0.101 -12.176 1.00 3.11 C ATOM 226 CG LYS A 164 7.299 1.176 -11.984 1.00 3.16 C ATOM 227 CD LYS A 164 6.443 2.295 -11.407 1.00 3.36 C ATOM 228 CE LYS A 164 5.312 2.688 -12.345 1.00 3.97 C ATOM 229 NZ LYS A 164 4.475 3.776 -11.778 1.00 4.66 N ATOM 0 H LYS A 164 7.059 -0.685 -9.089 1.00 2.69 H new ATOM 0 HA LYS A 164 5.454 0.131 -10.309 1.00 2.78 H new ATOM 0 HB2 LYS A 164 7.136 -0.851 -12.650 1.00 3.11 H new ATOM 0 HB3 LYS A 164 5.674 0.093 -12.857 1.00 3.11 H new ATOM 0 HG2 LYS A 164 8.141 0.983 -11.319 1.00 3.16 H new ATOM 0 HG3 LYS A 164 7.714 1.493 -12.941 1.00 3.16 H new ATOM 0 HD2 LYS A 164 6.027 1.977 -10.451 1.00 3.36 H new ATOM 0 HD3 LYS A 164 7.069 3.165 -11.209 1.00 3.36 H new ATOM 0 HE2 LYS A 164 5.728 3.010 -13.300 1.00 3.97 H new ATOM 0 HE3 LYS A 164 4.688 1.817 -12.546 1.00 3.97 H new ATOM 0 HZ1 LYS A 164 3.716 4.015 -12.447 1.00 4.66 H new ATOM 0 HZ2 LYS A 164 4.058 3.460 -10.879 1.00 4.66 H new ATOM 0 HZ3 LYS A 164 5.065 4.616 -11.610 1.00 4.66 H new ATOM 243 N GLN A 165 4.644 -2.583 -10.171 1.00 2.56 N ATOM 244 CA GLN A 165 3.534 -3.496 -10.229 1.00 2.56 C ATOM 245 C GLN A 165 2.382 -2.910 -9.429 1.00 2.31 C ATOM 246 O GLN A 165 2.498 -1.796 -8.934 1.00 2.15 O ATOM 247 CB GLN A 165 3.965 -4.840 -9.682 1.00 2.53 C ATOM 248 CG GLN A 165 4.668 -5.692 -10.720 1.00 2.86 C ATOM 249 CD GLN A 165 6.168 -5.750 -10.516 1.00 3.08 C ATOM 250 OE1 GLN A 165 6.653 -5.675 -9.391 1.00 3.33 O ATOM 251 NE2 GLN A 165 6.911 -5.889 -11.602 1.00 3.57 N ATOM 0 H GLN A 165 5.207 -2.660 -9.324 1.00 2.56 H new ATOM 0 HA GLN A 165 3.203 -3.643 -11.257 1.00 2.56 H new ATOM 0 HB2 GLN A 165 4.630 -4.686 -8.832 1.00 2.53 H new ATOM 0 HB3 GLN A 165 3.091 -5.374 -9.310 1.00 2.53 H new ATOM 0 HG2 GLN A 165 4.263 -6.703 -10.688 1.00 2.86 H new ATOM 0 HG3 GLN A 165 4.456 -5.295 -11.713 1.00 2.86 H new ATOM 0 HE21 GLN A 165 6.468 -5.948 -12.519 1.00 3.57 H new ATOM 0 HE22 GLN A 165 7.927 -5.938 -11.522 1.00 3.57 H new ATOM 260 N ARG A 166 1.255 -3.602 -9.340 1.00 2.31 N ATOM 261 CA ARG A 166 0.174 -3.138 -8.500 1.00 2.09 C ATOM 262 C ARG A 166 -0.643 -4.298 -7.942 1.00 2.04 C ATOM 263 O ARG A 166 -0.890 -5.290 -8.629 1.00 2.28 O ATOM 264 CB ARG A 166 -0.705 -2.143 -9.263 1.00 2.22 C ATOM 265 CG ARG A 166 -2.103 -2.623 -9.579 1.00 2.51 C ATOM 266 CD ARG A 166 -2.938 -1.499 -10.162 1.00 2.64 C ATOM 267 NE ARG A 166 -4.307 -1.910 -10.473 1.00 2.98 N ATOM 268 CZ ARG A 166 -5.164 -1.158 -11.165 1.00 3.20 C ATOM 269 NH1 ARG A 166 -4.773 0.009 -11.671 1.00 3.17 N ATOM 270 NH2 ARG A 166 -6.406 -1.579 -11.366 1.00 3.54 N ATOM 0 H ARG A 166 1.072 -4.475 -9.834 1.00 2.31 H new ATOM 0 HA ARG A 166 0.608 -2.620 -7.645 1.00 2.09 H new ATOM 0 HB2 ARG A 166 -0.777 -1.226 -8.679 1.00 2.22 H new ATOM 0 HB3 ARG A 166 -0.207 -1.887 -10.198 1.00 2.22 H new ATOM 0 HG2 ARG A 166 -2.057 -3.452 -10.285 1.00 2.51 H new ATOM 0 HG3 ARG A 166 -2.576 -3.002 -8.673 1.00 2.51 H new ATOM 0 HD2 ARG A 166 -2.965 -0.669 -9.456 1.00 2.64 H new ATOM 0 HD3 ARG A 166 -2.460 -1.131 -11.069 1.00 2.64 H new ATOM 0 HE ARG A 166 -4.624 -2.822 -10.143 1.00 2.98 H new ATOM 0 HH11 ARG A 166 -3.815 0.331 -11.530 1.00 3.17 H new ATOM 0 HH12 ARG A 166 -5.431 0.582 -12.200 1.00 3.17 H new ATOM 0 HH21 ARG A 166 -6.706 -2.479 -10.991 1.00 3.54 H new ATOM 0 HH22 ARG A 166 -7.060 -1.003 -11.895 1.00 3.54 H new ATOM 284 N THR A 167 -1.019 -4.173 -6.681 1.00 1.77 N ATOM 285 CA THR A 167 -1.961 -5.066 -6.055 1.00 1.75 C ATOM 286 C THR A 167 -3.000 -4.238 -5.315 1.00 1.63 C ATOM 287 O THR A 167 -2.667 -3.231 -4.698 1.00 1.62 O ATOM 288 CB THR A 167 -1.241 -6.024 -5.088 1.00 1.62 C ATOM 289 OG1 THR A 167 -1.390 -7.375 -5.534 1.00 1.91 O ATOM 290 CG2 THR A 167 -1.760 -5.887 -3.669 1.00 1.47 C ATOM 0 H THR A 167 -0.672 -3.440 -6.063 1.00 1.77 H new ATOM 0 HA THR A 167 -2.451 -5.673 -6.816 1.00 1.75 H new ATOM 0 HB THR A 167 -0.185 -5.756 -5.083 1.00 1.62 H new ATOM 0 HG1 THR A 167 -0.513 -7.811 -5.555 1.00 1.91 H new ATOM 0 HG21 THR A 167 -1.227 -6.580 -3.018 1.00 1.47 H new ATOM 0 HG22 THR A 167 -1.602 -4.866 -3.321 1.00 1.47 H new ATOM 0 HG23 THR A 167 -2.825 -6.116 -3.648 1.00 1.47 H new ATOM 298 N VAL A 168 -4.251 -4.628 -5.392 1.00 1.71 N ATOM 299 CA VAL A 168 -5.284 -3.896 -4.695 1.00 1.63 C ATOM 300 C VAL A 168 -5.522 -4.508 -3.324 1.00 1.55 C ATOM 301 O VAL A 168 -5.467 -5.724 -3.158 1.00 1.69 O ATOM 302 CB VAL A 168 -6.605 -3.872 -5.481 1.00 1.90 C ATOM 303 CG1 VAL A 168 -7.522 -2.789 -4.958 1.00 2.22 C ATOM 304 CG2 VAL A 168 -6.355 -3.707 -6.960 1.00 2.31 C ATOM 0 H VAL A 168 -4.576 -5.436 -5.922 1.00 1.71 H new ATOM 0 HA VAL A 168 -4.938 -2.868 -4.590 1.00 1.63 H new ATOM 0 HB VAL A 168 -7.101 -4.832 -5.335 1.00 1.90 H new ATOM 0 HG11 VAL A 168 -8.450 -2.791 -5.529 1.00 2.22 H new ATOM 0 HG12 VAL A 168 -7.742 -2.975 -3.907 1.00 2.22 H new ATOM 0 HG13 VAL A 168 -7.035 -1.819 -5.060 1.00 2.22 H new ATOM 0 HG21 VAL A 168 -7.307 -3.693 -7.491 1.00 2.31 H new ATOM 0 HG22 VAL A 168 -5.827 -2.770 -7.137 1.00 2.31 H new ATOM 0 HG23 VAL A 168 -5.750 -4.538 -7.322 1.00 2.31 H new ATOM 314 N VAL A 169 -5.733 -3.664 -2.338 1.00 1.38 N ATOM 315 CA VAL A 169 -6.094 -4.128 -1.011 1.00 1.41 C ATOM 316 C VAL A 169 -7.455 -3.580 -0.609 1.00 1.50 C ATOM 317 O VAL A 169 -7.662 -2.372 -0.626 1.00 1.41 O ATOM 318 CB VAL A 169 -5.057 -3.710 0.058 1.00 1.24 C ATOM 319 CG1 VAL A 169 -5.660 -3.830 1.448 1.00 1.57 C ATOM 320 CG2 VAL A 169 -3.806 -4.567 -0.019 1.00 1.67 C ATOM 0 H VAL A 169 -5.661 -2.650 -2.428 1.00 1.38 H new ATOM 0 HA VAL A 169 -6.122 -5.217 -1.058 1.00 1.41 H new ATOM 0 HB VAL A 169 -4.781 -2.674 -0.138 1.00 1.24 H new ATOM 0 HG11 VAL A 169 -4.921 -3.533 2.192 1.00 1.57 H new ATOM 0 HG12 VAL A 169 -6.532 -3.180 1.524 1.00 1.57 H new ATOM 0 HG13 VAL A 169 -5.960 -4.863 1.627 1.00 1.57 H new ATOM 0 HG21 VAL A 169 -3.098 -4.247 0.746 1.00 1.67 H new ATOM 0 HG22 VAL A 169 -4.070 -5.612 0.145 1.00 1.67 H new ATOM 0 HG23 VAL A 169 -3.351 -4.458 -1.003 1.00 1.67 H new ATOM 330 N PRO A 170 -8.418 -4.457 -0.284 1.00 1.73 N ATOM 331 CA PRO A 170 -9.664 -4.047 0.346 1.00 1.87 C ATOM 332 C PRO A 170 -9.372 -3.225 1.582 1.00 1.79 C ATOM 333 O PRO A 170 -8.663 -3.683 2.476 1.00 1.76 O ATOM 334 CB PRO A 170 -10.358 -5.368 0.716 1.00 2.12 C ATOM 335 CG PRO A 170 -9.325 -6.424 0.514 1.00 2.10 C ATOM 336 CD PRO A 170 -8.396 -5.893 -0.536 1.00 1.90 C ATOM 0 HA PRO A 170 -10.284 -3.427 -0.302 1.00 1.87 H new ATOM 0 HB2 PRO A 170 -10.709 -5.353 1.748 1.00 2.12 H new ATOM 0 HB3 PRO A 170 -11.230 -5.545 0.086 1.00 2.12 H new ATOM 0 HG2 PRO A 170 -8.790 -6.630 1.441 1.00 2.10 H new ATOM 0 HG3 PRO A 170 -9.781 -7.361 0.194 1.00 2.10 H new ATOM 0 HD2 PRO A 170 -7.393 -6.307 -0.436 1.00 1.90 H new ATOM 0 HD3 PRO A 170 -8.741 -6.133 -1.542 1.00 1.90 H new ATOM 344 N ALA A 171 -9.905 -2.016 1.616 1.00 1.82 N ATOM 345 CA ALA A 171 -9.589 -1.070 2.674 1.00 1.82 C ATOM 346 C ALA A 171 -9.990 -1.632 4.027 1.00 2.05 C ATOM 347 O ALA A 171 -11.163 -1.635 4.404 1.00 2.28 O ATOM 348 CB ALA A 171 -10.272 0.257 2.408 1.00 1.88 C ATOM 0 H ALA A 171 -10.562 -1.664 0.920 1.00 1.82 H new ATOM 0 HA ALA A 171 -8.512 -0.902 2.688 1.00 1.82 H new ATOM 0 HB1 ALA A 171 -10.029 0.958 3.206 1.00 1.88 H new ATOM 0 HB2 ALA A 171 -9.928 0.659 1.455 1.00 1.88 H new ATOM 0 HB3 ALA A 171 -11.351 0.110 2.371 1.00 1.88 H new ATOM 354 N ARG A 172 -8.993 -2.126 4.732 1.00 2.03 N ATOM 355 CA ARG A 172 -9.200 -2.849 5.965 1.00 2.28 C ATOM 356 C ARG A 172 -9.374 -1.899 7.145 1.00 2.44 C ATOM 357 O ARG A 172 -8.487 -1.107 7.457 1.00 2.39 O ATOM 358 CB ARG A 172 -8.023 -3.800 6.190 1.00 2.23 C ATOM 359 CG ARG A 172 -7.959 -4.942 5.189 1.00 2.18 C ATOM 360 CD ARG A 172 -9.052 -5.964 5.443 1.00 2.43 C ATOM 361 NE ARG A 172 -8.906 -6.588 6.756 1.00 2.82 N ATOM 362 CZ ARG A 172 -9.926 -6.970 7.523 1.00 3.26 C ATOM 363 NH1 ARG A 172 -11.174 -6.829 7.096 1.00 3.26 N ATOM 364 NH2 ARG A 172 -9.695 -7.505 8.715 1.00 3.98 N ATOM 0 H ARG A 172 -8.013 -2.036 4.463 1.00 2.03 H new ATOM 0 HA ARG A 172 -10.120 -3.428 5.888 1.00 2.28 H new ATOM 0 HB2 ARG A 172 -7.094 -3.232 6.140 1.00 2.23 H new ATOM 0 HB3 ARG A 172 -8.089 -4.214 7.196 1.00 2.23 H new ATOM 0 HG2 ARG A 172 -8.056 -4.547 4.178 1.00 2.18 H new ATOM 0 HG3 ARG A 172 -6.985 -5.427 5.250 1.00 2.18 H new ATOM 0 HD2 ARG A 172 -10.027 -5.481 5.375 1.00 2.43 H new ATOM 0 HD3 ARG A 172 -9.022 -6.731 4.669 1.00 2.43 H new ATOM 0 HE ARG A 172 -7.961 -6.741 7.108 1.00 2.82 H new ATOM 0 HH11 ARG A 172 -11.356 -6.427 6.177 1.00 3.26 H new ATOM 0 HH12 ARG A 172 -11.952 -7.123 7.687 1.00 3.26 H new ATOM 0 HH21 ARG A 172 -8.737 -7.624 9.044 1.00 3.98 H new ATOM 0 HH22 ARG A 172 -10.476 -7.798 9.303 1.00 3.98 H new ATOM 378 N CYS A 173 -10.532 -1.976 7.787 1.00 2.68 N ATOM 379 CA CYS A 173 -10.827 -1.144 8.945 1.00 2.89 C ATOM 380 C CYS A 173 -10.274 -1.805 10.201 1.00 3.07 C ATOM 381 O CYS A 173 -10.407 -3.017 10.384 1.00 3.19 O ATOM 382 CB CYS A 173 -12.337 -0.921 9.071 1.00 3.08 C ATOM 383 SG CYS A 173 -12.807 0.304 10.317 1.00 3.37 S ATOM 0 H CYS A 173 -11.286 -2.610 7.523 1.00 2.68 H new ATOM 0 HA CYS A 173 -10.352 -0.171 8.819 1.00 2.89 H new ATOM 0 HB2 CYS A 173 -12.728 -0.606 8.103 1.00 3.08 H new ATOM 0 HB3 CYS A 173 -12.814 -1.871 9.314 1.00 3.08 H new ATOM 0 HG CYS A 173 -14.101 0.421 10.344 1.00 3.37 H new ATOM 389 N GLY A 174 -9.640 -1.013 11.055 1.00 3.11 N ATOM 390 CA GLY A 174 -8.968 -1.571 12.210 1.00 3.31 C ATOM 391 C GLY A 174 -7.675 -2.226 11.790 1.00 3.16 C ATOM 392 O GLY A 174 -7.140 -3.103 12.474 1.00 3.34 O ATOM 0 H GLY A 174 -9.579 0.002 10.969 1.00 3.11 H new ATOM 0 HA2 GLY A 174 -8.767 -0.786 12.939 1.00 3.31 H new ATOM 0 HA3 GLY A 174 -9.613 -2.301 12.698 1.00 3.31 H new ATOM 396 N VAL A 175 -7.184 -1.791 10.643 1.00 2.87 N ATOM 397 CA VAL A 175 -6.024 -2.380 10.015 1.00 2.70 C ATOM 398 C VAL A 175 -5.056 -1.297 9.575 1.00 2.51 C ATOM 399 O VAL A 175 -5.456 -0.273 9.022 1.00 2.45 O ATOM 400 CB VAL A 175 -6.440 -3.250 8.812 1.00 2.53 C ATOM 401 CG1 VAL A 175 -5.263 -3.552 7.893 1.00 2.60 C ATOM 402 CG2 VAL A 175 -7.078 -4.546 9.299 1.00 2.77 C ATOM 0 H VAL A 175 -7.585 -1.012 10.120 1.00 2.87 H new ATOM 0 HA VAL A 175 -5.525 -3.019 10.744 1.00 2.70 H new ATOM 0 HB VAL A 175 -7.169 -2.684 8.232 1.00 2.53 H new ATOM 0 HG11 VAL A 175 -5.601 -4.167 7.059 1.00 2.60 H new ATOM 0 HG12 VAL A 175 -4.851 -2.618 7.511 1.00 2.60 H new ATOM 0 HG13 VAL A 175 -4.494 -4.087 8.450 1.00 2.60 H new ATOM 0 HG21 VAL A 175 -7.368 -5.153 8.442 1.00 2.77 H new ATOM 0 HG22 VAL A 175 -6.362 -5.097 9.908 1.00 2.77 H new ATOM 0 HG23 VAL A 175 -7.961 -4.315 9.896 1.00 2.77 H new ATOM 412 N THR A 176 -3.785 -1.531 9.828 1.00 2.46 N ATOM 413 CA THR A 176 -2.761 -0.575 9.500 1.00 2.32 C ATOM 414 C THR A 176 -2.263 -0.824 8.092 1.00 1.98 C ATOM 415 O THR A 176 -2.550 -1.872 7.500 1.00 1.90 O ATOM 416 CB THR A 176 -1.573 -0.683 10.474 1.00 2.50 C ATOM 417 OG1 THR A 176 -1.166 -2.054 10.581 1.00 2.55 O ATOM 418 CG2 THR A 176 -1.925 -0.145 11.856 1.00 2.83 C ATOM 0 H THR A 176 -3.439 -2.386 10.264 1.00 2.46 H new ATOM 0 HA THR A 176 -3.192 0.423 9.577 1.00 2.32 H new ATOM 0 HB THR A 176 -0.757 -0.078 10.078 1.00 2.50 H new ATOM 0 HG1 THR A 176 -0.521 -2.148 11.313 1.00 2.55 H new ATOM 0 HG21 THR A 176 -1.061 -0.239 12.514 1.00 2.83 H new ATOM 0 HG22 THR A 176 -2.208 0.905 11.777 1.00 2.83 H new ATOM 0 HG23 THR A 176 -2.758 -0.715 12.267 1.00 2.83 H new ATOM 426 N VAL A 177 -1.521 0.125 7.559 1.00 1.82 N ATOM 427 CA VAL A 177 -0.837 -0.066 6.296 1.00 1.52 C ATOM 428 C VAL A 177 -0.003 -1.337 6.364 1.00 1.52 C ATOM 429 O VAL A 177 0.125 -2.069 5.387 1.00 1.33 O ATOM 430 CB VAL A 177 0.083 1.124 5.993 1.00 1.45 C ATOM 431 CG1 VAL A 177 0.671 1.019 4.603 1.00 1.78 C ATOM 432 CG2 VAL A 177 -0.667 2.427 6.169 1.00 1.92 C ATOM 0 H VAL A 177 -1.376 1.041 7.983 1.00 1.82 H new ATOM 0 HA VAL A 177 -1.581 -0.145 5.504 1.00 1.52 H new ATOM 0 HB VAL A 177 0.911 1.105 6.702 1.00 1.45 H new ATOM 0 HG11 VAL A 177 1.319 1.876 4.416 1.00 1.78 H new ATOM 0 HG12 VAL A 177 1.252 0.100 4.522 1.00 1.78 H new ATOM 0 HG13 VAL A 177 -0.134 1.005 3.868 1.00 1.78 H new ATOM 0 HG21 VAL A 177 -0.002 3.262 5.951 1.00 1.92 H new ATOM 0 HG22 VAL A 177 -1.517 2.452 5.487 1.00 1.92 H new ATOM 0 HG23 VAL A 177 -1.023 2.506 7.196 1.00 1.92 H new ATOM 442 N ARG A 178 0.521 -1.597 7.555 1.00 1.79 N ATOM 443 CA ARG A 178 1.365 -2.744 7.814 1.00 1.88 C ATOM 444 C ARG A 178 0.724 -4.058 7.385 1.00 1.85 C ATOM 445 O ARG A 178 1.299 -4.782 6.590 1.00 1.73 O ATOM 446 CB ARG A 178 1.712 -2.775 9.302 1.00 2.23 C ATOM 447 CG ARG A 178 2.491 -3.999 9.730 1.00 2.43 C ATOM 448 CD ARG A 178 3.775 -4.143 8.936 1.00 2.70 C ATOM 449 NE ARG A 178 4.508 -5.354 9.297 1.00 3.12 N ATOM 450 CZ ARG A 178 5.839 -5.445 9.327 1.00 3.76 C ATOM 451 NH1 ARG A 178 6.597 -4.401 9.016 1.00 4.24 N ATOM 452 NH2 ARG A 178 6.417 -6.588 9.663 1.00 4.27 N ATOM 0 H ARG A 178 0.367 -1.008 8.373 1.00 1.79 H new ATOM 0 HA ARG A 178 2.270 -2.639 7.216 1.00 1.88 H new ATOM 0 HB2 ARG A 178 2.291 -1.885 9.547 1.00 2.23 H new ATOM 0 HB3 ARG A 178 0.789 -2.724 9.880 1.00 2.23 H new ATOM 0 HG2 ARG A 178 2.724 -3.931 10.793 1.00 2.43 H new ATOM 0 HG3 ARG A 178 1.876 -4.889 9.595 1.00 2.43 H new ATOM 0 HD2 ARG A 178 3.543 -4.164 7.871 1.00 2.70 H new ATOM 0 HD3 ARG A 178 4.407 -3.272 9.108 1.00 2.70 H new ATOM 0 HE ARG A 178 3.967 -6.184 9.542 1.00 3.12 H new ATOM 0 HH11 ARG A 178 6.163 -3.517 8.750 1.00 4.24 H new ATOM 0 HH12 ARG A 178 7.613 -4.483 9.043 1.00 4.24 H new ATOM 0 HH21 ARG A 178 5.845 -7.399 9.899 1.00 4.27 H new ATOM 0 HH22 ARG A 178 7.434 -6.658 9.686 1.00 4.27 H new ATOM 466 N ASP A 179 -0.458 -4.356 7.900 1.00 2.00 N ATOM 467 CA ASP A 179 -1.091 -5.651 7.650 1.00 2.07 C ATOM 468 C ASP A 179 -1.600 -5.740 6.218 1.00 1.81 C ATOM 469 O ASP A 179 -1.413 -6.746 5.528 1.00 1.77 O ATOM 470 CB ASP A 179 -2.253 -5.882 8.612 1.00 2.32 C ATOM 471 CG ASP A 179 -2.645 -7.344 8.688 1.00 2.51 C ATOM 472 OD1 ASP A 179 -3.522 -7.773 7.910 1.00 2.78 O ATOM 473 OD2 ASP A 179 -2.072 -8.071 9.531 1.00 2.87 O ATOM 0 H ASP A 179 -1.000 -3.726 8.491 1.00 2.00 H new ATOM 0 HA ASP A 179 -0.336 -6.421 7.809 1.00 2.07 H new ATOM 0 HB2 ASP A 179 -1.977 -5.529 9.605 1.00 2.32 H new ATOM 0 HB3 ASP A 179 -3.112 -5.293 8.291 1.00 2.32 H new ATOM 478 N SER A 180 -2.224 -4.667 5.771 1.00 1.66 N ATOM 479 CA SER A 180 -2.806 -4.626 4.441 1.00 1.46 C ATOM 480 C SER A 180 -1.726 -4.719 3.365 1.00 1.22 C ATOM 481 O SER A 180 -1.801 -5.558 2.456 1.00 1.22 O ATOM 482 CB SER A 180 -3.655 -3.367 4.305 1.00 1.40 C ATOM 483 OG SER A 180 -4.999 -3.638 4.654 1.00 1.99 O ATOM 0 H SER A 180 -2.342 -3.809 6.310 1.00 1.66 H new ATOM 0 HA SER A 180 -3.453 -5.491 4.298 1.00 1.46 H new ATOM 0 HB2 SER A 180 -3.257 -2.581 4.947 1.00 1.40 H new ATOM 0 HB3 SER A 180 -3.606 -2.997 3.281 1.00 1.40 H new ATOM 0 HG SER A 180 -5.308 -4.433 4.171 1.00 1.99 H new ATOM 489 N LEU A 181 -0.702 -3.893 3.476 1.00 1.10 N ATOM 490 CA LEU A 181 0.409 -3.981 2.573 1.00 0.92 C ATOM 491 C LEU A 181 1.243 -5.232 2.816 1.00 1.10 C ATOM 492 O LEU A 181 1.968 -5.668 1.928 1.00 1.07 O ATOM 493 CB LEU A 181 1.274 -2.757 2.661 1.00 0.85 C ATOM 494 CG LEU A 181 1.171 -1.918 1.425 1.00 0.68 C ATOM 495 CD1 LEU A 181 0.313 -0.704 1.659 1.00 0.94 C ATOM 496 CD2 LEU A 181 2.535 -1.603 0.887 1.00 1.34 C ATOM 0 H LEU A 181 -0.625 -3.160 4.182 1.00 1.10 H new ATOM 0 HA LEU A 181 -0.005 -4.047 1.567 1.00 0.92 H new ATOM 0 HB2 LEU A 181 0.981 -2.165 3.528 1.00 0.85 H new ATOM 0 HB3 LEU A 181 2.311 -3.054 2.814 1.00 0.85 H new ATOM 0 HG LEU A 181 0.661 -2.488 0.648 1.00 0.68 H new ATOM 0 HD11 LEU A 181 0.258 -0.115 0.743 1.00 0.94 H new ATOM 0 HD12 LEU A 181 -0.690 -1.018 1.950 1.00 0.94 H new ATOM 0 HD13 LEU A 181 0.748 -0.098 2.454 1.00 0.94 H new ATOM 0 HD21 LEU A 181 2.440 -0.993 -0.011 1.00 1.34 H new ATOM 0 HD22 LEU A 181 3.105 -1.057 1.638 1.00 1.34 H new ATOM 0 HD23 LEU A 181 3.053 -2.530 0.642 1.00 1.34 H new ATOM 508 N LYS A 182 1.142 -5.813 4.013 1.00 1.35 N ATOM 509 CA LYS A 182 1.851 -7.050 4.315 1.00 1.55 C ATOM 510 C LYS A 182 1.492 -8.092 3.269 1.00 1.54 C ATOM 511 O LYS A 182 2.369 -8.738 2.699 1.00 1.58 O ATOM 512 CB LYS A 182 1.504 -7.542 5.732 1.00 1.84 C ATOM 513 CG LYS A 182 0.969 -8.961 5.788 1.00 2.25 C ATOM 514 CD LYS A 182 0.240 -9.252 7.092 1.00 2.48 C ATOM 515 CE LYS A 182 1.121 -9.029 8.308 1.00 2.59 C ATOM 516 NZ LYS A 182 0.389 -9.308 9.572 1.00 3.08 N ATOM 0 H LYS A 182 0.580 -5.447 4.781 1.00 1.35 H new ATOM 0 HA LYS A 182 2.926 -6.872 4.287 1.00 1.55 H new ATOM 0 HB2 LYS A 182 2.396 -7.478 6.355 1.00 1.84 H new ATOM 0 HB3 LYS A 182 0.764 -6.870 6.166 1.00 1.84 H new ATOM 0 HG2 LYS A 182 0.291 -9.125 4.951 1.00 2.25 H new ATOM 0 HG3 LYS A 182 1.795 -9.663 5.671 1.00 2.25 H new ATOM 0 HD2 LYS A 182 -0.641 -8.614 7.163 1.00 2.48 H new ATOM 0 HD3 LYS A 182 -0.113 -10.283 7.086 1.00 2.48 H new ATOM 0 HE2 LYS A 182 1.999 -9.672 8.245 1.00 2.59 H new ATOM 0 HE3 LYS A 182 1.480 -8.000 8.314 1.00 2.59 H new ATOM 0 HZ1 LYS A 182 0.873 -8.839 10.364 1.00 3.08 H new ATOM 0 HZ2 LYS A 182 -0.583 -8.946 9.497 1.00 3.08 H new ATOM 0 HZ3 LYS A 182 0.365 -10.334 9.740 1.00 3.08 H new ATOM 530 N LYS A 183 0.196 -8.217 2.991 1.00 1.56 N ATOM 531 CA LYS A 183 -0.261 -9.095 1.928 1.00 1.62 C ATOM 532 C LYS A 183 0.267 -8.608 0.586 1.00 1.47 C ATOM 533 O LYS A 183 0.779 -9.393 -0.210 1.00 1.59 O ATOM 534 CB LYS A 183 -1.788 -9.146 1.863 1.00 1.72 C ATOM 535 CG LYS A 183 -2.289 -9.965 0.686 1.00 1.85 C ATOM 536 CD LYS A 183 -3.698 -9.586 0.263 1.00 1.95 C ATOM 537 CE LYS A 183 -3.787 -8.140 -0.195 1.00 2.25 C ATOM 538 NZ LYS A 183 -5.154 -7.794 -0.662 1.00 2.75 N ATOM 0 H LYS A 183 -0.547 -7.724 3.485 1.00 1.56 H new ATOM 0 HA LYS A 183 0.117 -10.094 2.144 1.00 1.62 H new ATOM 0 HB2 LYS A 183 -2.175 -9.571 2.789 1.00 1.72 H new ATOM 0 HB3 LYS A 183 -2.180 -8.132 1.790 1.00 1.72 H new ATOM 0 HG2 LYS A 183 -1.613 -9.831 -0.158 1.00 1.85 H new ATOM 0 HG3 LYS A 183 -2.265 -11.023 0.949 1.00 1.85 H new ATOM 0 HD2 LYS A 183 -4.023 -10.242 -0.544 1.00 1.95 H new ATOM 0 HD3 LYS A 183 -4.382 -9.745 1.097 1.00 1.95 H new ATOM 0 HE2 LYS A 183 -3.505 -7.480 0.626 1.00 2.25 H new ATOM 0 HE3 LYS A 183 -3.073 -7.969 -1.001 1.00 2.25 H new ATOM 0 HZ1 LYS A 183 -5.094 -7.071 -1.407 1.00 2.75 H new ATOM 0 HZ2 LYS A 183 -5.617 -8.645 -1.041 1.00 2.75 H new ATOM 0 HZ3 LYS A 183 -5.710 -7.424 0.135 1.00 2.75 H new ATOM 552 N ALA A 184 0.136 -7.306 0.353 1.00 1.26 N ATOM 553 CA ALA A 184 0.534 -6.702 -0.915 1.00 1.18 C ATOM 554 C ALA A 184 1.961 -7.087 -1.306 1.00 1.25 C ATOM 555 O ALA A 184 2.195 -7.605 -2.400 1.00 1.43 O ATOM 556 CB ALA A 184 0.379 -5.187 -0.847 1.00 0.93 C ATOM 0 H ALA A 184 -0.245 -6.645 1.030 1.00 1.26 H new ATOM 0 HA ALA A 184 -0.126 -7.089 -1.691 1.00 1.18 H new ATOM 0 HB1 ALA A 184 0.679 -4.748 -1.798 1.00 0.93 H new ATOM 0 HB2 ALA A 184 -0.662 -4.937 -0.644 1.00 0.93 H new ATOM 0 HB3 ALA A 184 1.009 -4.792 -0.050 1.00 0.93 H new ATOM 562 N LEU A 185 2.905 -6.848 -0.406 1.00 1.18 N ATOM 563 CA LEU A 185 4.296 -7.209 -0.648 1.00 1.30 C ATOM 564 C LEU A 185 4.452 -8.724 -0.748 1.00 1.54 C ATOM 565 O LEU A 185 5.004 -9.241 -1.725 1.00 1.70 O ATOM 566 CB LEU A 185 5.208 -6.683 0.471 1.00 1.28 C ATOM 567 CG LEU A 185 5.542 -5.194 0.464 1.00 1.20 C ATOM 568 CD1 LEU A 185 5.580 -4.621 -0.941 1.00 1.69 C ATOM 569 CD2 LEU A 185 4.583 -4.449 1.344 1.00 1.54 C ATOM 0 H LEU A 185 2.734 -6.406 0.497 1.00 1.18 H new ATOM 0 HA LEU A 185 4.591 -6.751 -1.592 1.00 1.30 H new ATOM 0 HB2 LEU A 185 4.739 -6.918 1.426 1.00 1.28 H new ATOM 0 HB3 LEU A 185 6.145 -7.238 0.431 1.00 1.28 H new ATOM 0 HG LEU A 185 6.547 -5.072 0.867 1.00 1.20 H new ATOM 0 HD11 LEU A 185 5.821 -3.559 -0.894 1.00 1.69 H new ATOM 0 HD12 LEU A 185 6.339 -5.141 -1.525 1.00 1.69 H new ATOM 0 HD13 LEU A 185 4.606 -4.751 -1.414 1.00 1.69 H new ATOM 0 HD21 LEU A 185 4.829 -3.387 1.333 1.00 1.54 H new ATOM 0 HD22 LEU A 185 3.567 -4.590 0.976 1.00 1.54 H new ATOM 0 HD23 LEU A 185 4.655 -4.828 2.364 1.00 1.54 H new ATOM 581 N MET A 186 3.937 -9.427 0.255 1.00 1.61 N ATOM 582 CA MET A 186 4.147 -10.871 0.391 1.00 1.84 C ATOM 583 C MET A 186 3.568 -11.676 -0.769 1.00 1.98 C ATOM 584 O MET A 186 4.003 -12.803 -1.007 1.00 2.18 O ATOM 585 CB MET A 186 3.572 -11.377 1.713 1.00 1.94 C ATOM 586 CG MET A 186 4.409 -11.009 2.933 1.00 1.99 C ATOM 587 SD MET A 186 5.550 -12.317 3.449 1.00 2.29 S ATOM 588 CE MET A 186 6.614 -12.477 2.016 1.00 2.25 C ATOM 0 H MET A 186 3.365 -9.019 0.994 1.00 1.61 H new ATOM 0 HA MET A 186 5.226 -11.023 0.376 1.00 1.84 H new ATOM 0 HB2 MET A 186 2.567 -10.973 1.839 1.00 1.94 H new ATOM 0 HB3 MET A 186 3.476 -12.462 1.664 1.00 1.94 H new ATOM 0 HG2 MET A 186 4.979 -10.106 2.713 1.00 1.99 H new ATOM 0 HG3 MET A 186 3.743 -10.771 3.762 1.00 1.99 H new ATOM 0 HE1 MET A 186 7.350 -13.261 2.195 1.00 2.25 H new ATOM 0 HE2 MET A 186 6.013 -12.735 1.144 1.00 2.25 H new ATOM 0 HE3 MET A 186 7.127 -11.532 1.837 1.00 2.25 H new ATOM 598 N MET A 187 2.608 -11.115 -1.499 1.00 1.91 N ATOM 599 CA MET A 187 2.019 -11.833 -2.628 1.00 2.11 C ATOM 600 C MET A 187 2.998 -11.917 -3.788 1.00 2.24 C ATOM 601 O MET A 187 2.943 -12.847 -4.593 1.00 2.50 O ATOM 602 CB MET A 187 0.709 -11.199 -3.100 1.00 2.07 C ATOM 603 CG MET A 187 -0.472 -11.491 -2.191 1.00 2.07 C ATOM 604 SD MET A 187 -2.052 -11.383 -3.049 1.00 2.22 S ATOM 605 CE MET A 187 -2.099 -9.641 -3.433 1.00 1.99 C ATOM 0 H MET A 187 2.226 -10.183 -1.335 1.00 1.91 H new ATOM 0 HA MET A 187 1.793 -12.839 -2.274 1.00 2.11 H new ATOM 0 HB2 MET A 187 0.843 -10.120 -3.172 1.00 2.07 H new ATOM 0 HB3 MET A 187 0.482 -11.559 -4.103 1.00 2.07 H new ATOM 0 HG2 MET A 187 -0.361 -12.489 -1.767 1.00 2.07 H new ATOM 0 HG3 MET A 187 -0.467 -10.788 -1.358 1.00 2.07 H new ATOM 0 HE1 MET A 187 -3.002 -9.200 -3.010 1.00 1.99 H new ATOM 0 HE2 MET A 187 -1.223 -9.151 -3.009 1.00 1.99 H new ATOM 0 HE3 MET A 187 -2.102 -9.507 -4.515 1.00 1.99 H new ATOM 615 N ARG A 188 3.888 -10.939 -3.882 1.00 2.10 N ATOM 616 CA ARG A 188 4.942 -10.976 -4.884 1.00 2.26 C ATOM 617 C ARG A 188 6.231 -11.518 -4.294 1.00 2.31 C ATOM 618 O ARG A 188 7.204 -11.769 -5.007 1.00 2.49 O ATOM 619 CB ARG A 188 5.171 -9.591 -5.460 1.00 2.17 C ATOM 620 CG ARG A 188 4.107 -9.192 -6.458 1.00 2.35 C ATOM 621 CD ARG A 188 4.589 -8.081 -7.372 1.00 2.34 C ATOM 622 NE ARG A 188 5.866 -8.414 -8.000 1.00 2.97 N ATOM 623 CZ ARG A 188 5.989 -8.956 -9.211 1.00 3.63 C ATOM 624 NH1 ARG A 188 4.910 -9.263 -9.923 1.00 3.90 N ATOM 625 NH2 ARG A 188 7.196 -9.199 -9.705 1.00 4.43 N ATOM 0 H ARG A 188 3.901 -10.115 -3.280 1.00 2.10 H new ATOM 0 HA ARG A 188 4.625 -11.643 -5.686 1.00 2.26 H new ATOM 0 HB2 ARG A 188 5.194 -8.863 -4.649 1.00 2.17 H new ATOM 0 HB3 ARG A 188 6.147 -9.560 -5.944 1.00 2.17 H new ATOM 0 HG2 ARG A 188 3.824 -10.059 -7.055 1.00 2.35 H new ATOM 0 HG3 ARG A 188 3.213 -8.865 -5.927 1.00 2.35 H new ATOM 0 HD2 ARG A 188 3.842 -7.894 -8.143 1.00 2.34 H new ATOM 0 HD3 ARG A 188 4.694 -7.159 -6.800 1.00 2.34 H new ATOM 0 HE ARG A 188 6.719 -8.219 -7.477 1.00 2.97 H new ATOM 0 HH11 ARG A 188 3.980 -9.084 -9.543 1.00 3.90 H new ATOM 0 HH12 ARG A 188 5.011 -9.678 -10.849 1.00 3.90 H new ATOM 0 HH21 ARG A 188 8.026 -8.971 -9.158 1.00 4.43 H new ATOM 0 HH22 ARG A 188 7.294 -9.614 -10.632 1.00 4.43 H new ATOM 639 N GLY A 189 6.230 -11.686 -2.990 1.00 2.21 N ATOM 640 CA GLY A 189 7.385 -12.238 -2.313 1.00 2.31 C ATOM 641 C GLY A 189 8.222 -11.174 -1.639 1.00 2.19 C ATOM 642 O GLY A 189 9.355 -11.428 -1.231 1.00 2.31 O ATOM 0 H GLY A 189 5.448 -11.450 -2.379 1.00 2.21 H new ATOM 0 HA2 GLY A 189 7.054 -12.962 -1.568 1.00 2.31 H new ATOM 0 HA3 GLY A 189 8.000 -12.779 -3.032 1.00 2.31 H new ATOM 646 N LEU A 190 7.670 -9.976 -1.536 1.00 1.98 N ATOM 647 CA LEU A 190 8.339 -8.883 -0.845 1.00 1.90 C ATOM 648 C LEU A 190 7.855 -8.807 0.598 1.00 1.80 C ATOM 649 O LEU A 190 6.969 -9.559 1.000 1.00 1.79 O ATOM 650 CB LEU A 190 8.083 -7.550 -1.558 1.00 1.80 C ATOM 651 CG LEU A 190 8.878 -7.315 -2.847 1.00 2.15 C ATOM 652 CD1 LEU A 190 8.327 -8.140 -3.996 1.00 2.28 C ATOM 653 CD2 LEU A 190 8.848 -5.851 -3.210 1.00 2.37 C ATOM 0 H LEU A 190 6.758 -9.734 -1.923 1.00 1.98 H new ATOM 0 HA LEU A 190 9.412 -9.075 -0.853 1.00 1.90 H new ATOM 0 HB2 LEU A 190 7.021 -7.484 -1.793 1.00 1.80 H new ATOM 0 HB3 LEU A 190 8.307 -6.740 -0.864 1.00 1.80 H new ATOM 0 HG LEU A 190 9.907 -7.627 -2.668 1.00 2.15 H new ATOM 0 HD11 LEU A 190 8.914 -7.950 -4.895 1.00 2.28 H new ATOM 0 HD12 LEU A 190 8.383 -9.199 -3.743 1.00 2.28 H new ATOM 0 HD13 LEU A 190 7.288 -7.865 -4.176 1.00 2.28 H new ATOM 0 HD21 LEU A 190 9.415 -5.692 -4.127 1.00 2.37 H new ATOM 0 HD22 LEU A 190 7.816 -5.535 -3.362 1.00 2.37 H new ATOM 0 HD23 LEU A 190 9.291 -5.267 -2.403 1.00 2.37 H new ATOM 665 N ILE A 191 8.426 -7.899 1.369 1.00 1.81 N ATOM 666 CA ILE A 191 8.054 -7.737 2.762 1.00 1.83 C ATOM 667 C ILE A 191 7.824 -6.272 3.100 1.00 1.70 C ATOM 668 O ILE A 191 8.516 -5.387 2.599 1.00 1.69 O ATOM 669 CB ILE A 191 9.122 -8.305 3.719 1.00 2.08 C ATOM 670 CG1 ILE A 191 10.529 -7.921 3.248 1.00 2.17 C ATOM 671 CG2 ILE A 191 8.974 -9.814 3.849 1.00 2.25 C ATOM 672 CD1 ILE A 191 11.621 -8.328 4.204 1.00 2.42 C ATOM 0 H ILE A 191 9.154 -7.259 1.051 1.00 1.81 H new ATOM 0 HA ILE A 191 7.129 -8.297 2.898 1.00 1.83 H new ATOM 0 HB ILE A 191 8.972 -7.868 4.706 1.00 2.08 H new ATOM 0 HG12 ILE A 191 10.716 -8.383 2.279 1.00 2.17 H new ATOM 0 HG13 ILE A 191 10.571 -6.842 3.101 1.00 2.17 H new ATOM 0 HG21 ILE A 191 9.736 -10.197 4.528 1.00 2.25 H new ATOM 0 HG22 ILE A 191 7.985 -10.050 4.243 1.00 2.25 H new ATOM 0 HG23 ILE A 191 9.095 -10.277 2.870 1.00 2.25 H new ATOM 0 HD11 ILE A 191 12.588 -8.023 3.803 1.00 2.42 H new ATOM 0 HD12 ILE A 191 11.459 -7.845 5.168 1.00 2.42 H new ATOM 0 HD13 ILE A 191 11.607 -9.410 4.333 1.00 2.42 H new ATOM 684 N PRO A 192 6.836 -6.015 3.967 1.00 1.68 N ATOM 685 CA PRO A 192 6.502 -4.664 4.448 1.00 1.62 C ATOM 686 C PRO A 192 7.633 -4.038 5.261 1.00 1.81 C ATOM 687 O PRO A 192 7.538 -2.896 5.704 1.00 1.84 O ATOM 688 CB PRO A 192 5.271 -4.893 5.333 1.00 1.67 C ATOM 689 CG PRO A 192 5.334 -6.334 5.710 1.00 1.84 C ATOM 690 CD PRO A 192 5.945 -7.036 4.538 1.00 1.78 C ATOM 0 HA PRO A 192 6.329 -3.972 3.624 1.00 1.62 H new ATOM 0 HB2 PRO A 192 5.293 -4.252 6.215 1.00 1.67 H new ATOM 0 HB3 PRO A 192 4.350 -4.665 4.796 1.00 1.67 H new ATOM 0 HG2 PRO A 192 5.935 -6.477 6.608 1.00 1.84 H new ATOM 0 HG3 PRO A 192 4.340 -6.726 5.926 1.00 1.84 H new ATOM 0 HD2 PRO A 192 6.495 -7.926 4.843 1.00 1.78 H new ATOM 0 HD3 PRO A 192 5.189 -7.358 3.822 1.00 1.78 H new ATOM 698 N GLU A 193 8.687 -4.813 5.474 1.00 2.01 N ATOM 699 CA GLU A 193 9.854 -4.358 6.206 1.00 2.24 C ATOM 700 C GLU A 193 10.704 -3.438 5.345 1.00 2.20 C ATOM 701 O GLU A 193 11.080 -2.343 5.754 1.00 2.35 O ATOM 702 CB GLU A 193 10.685 -5.557 6.600 1.00 2.47 C ATOM 703 CG GLU A 193 9.888 -6.595 7.341 1.00 2.64 C ATOM 704 CD GLU A 193 9.860 -6.367 8.835 1.00 2.94 C ATOM 705 OE1 GLU A 193 10.661 -7.005 9.546 1.00 3.24 O ATOM 706 OE2 GLU A 193 9.036 -5.556 9.306 1.00 3.32 O ATOM 0 H GLU A 193 8.754 -5.775 5.143 1.00 2.01 H new ATOM 0 HA GLU A 193 9.522 -3.811 7.089 1.00 2.24 H new ATOM 0 HB2 GLU A 193 11.116 -6.006 5.705 1.00 2.47 H new ATOM 0 HB3 GLU A 193 11.516 -5.229 7.224 1.00 2.47 H new ATOM 0 HG2 GLU A 193 8.866 -6.599 6.961 1.00 2.64 H new ATOM 0 HG3 GLU A 193 10.308 -7.580 7.138 1.00 2.64 H new ATOM 713 N CYS A 194 10.989 -3.907 4.139 1.00 2.09 N ATOM 714 CA CYS A 194 11.916 -3.230 3.240 1.00 2.14 C ATOM 715 C CYS A 194 11.195 -2.472 2.123 1.00 1.95 C ATOM 716 O CYS A 194 11.648 -2.455 0.982 1.00 2.06 O ATOM 717 CB CYS A 194 12.891 -4.249 2.647 1.00 2.29 C ATOM 718 SG CYS A 194 13.823 -5.174 3.892 1.00 2.85 S ATOM 0 H CYS A 194 10.587 -4.763 3.756 1.00 2.09 H new ATOM 0 HA CYS A 194 12.463 -2.490 3.824 1.00 2.14 H new ATOM 0 HB2 CYS A 194 12.335 -4.951 2.026 1.00 2.29 H new ATOM 0 HB3 CYS A 194 13.592 -3.730 1.993 1.00 2.29 H new ATOM 0 HG CYS A 194 14.997 -4.636 4.044 1.00 2.85 H new ATOM 724 N CYS A 195 10.073 -1.846 2.448 1.00 1.74 N ATOM 725 CA CYS A 195 9.336 -1.050 1.474 1.00 1.57 C ATOM 726 C CYS A 195 8.679 0.158 2.158 1.00 1.53 C ATOM 727 O CYS A 195 8.560 0.190 3.379 1.00 1.63 O ATOM 728 CB CYS A 195 8.285 -1.918 0.769 1.00 1.38 C ATOM 729 SG CYS A 195 8.990 -3.229 -0.257 1.00 1.62 S ATOM 0 H CYS A 195 9.653 -1.873 3.377 1.00 1.74 H new ATOM 0 HA CYS A 195 10.033 -0.677 0.723 1.00 1.57 H new ATOM 0 HB2 CYS A 195 7.635 -2.367 1.520 1.00 1.38 H new ATOM 0 HB3 CYS A 195 7.658 -1.279 0.146 1.00 1.38 H new ATOM 0 HG CYS A 195 10.276 -3.282 -0.071 1.00 1.62 H new ATOM 735 N ALA A 196 8.280 1.156 1.370 1.00 1.46 N ATOM 736 CA ALA A 196 7.615 2.353 1.902 1.00 1.48 C ATOM 737 C ALA A 196 6.376 2.672 1.097 1.00 1.27 C ATOM 738 O ALA A 196 6.397 2.567 -0.112 1.00 1.25 O ATOM 739 CB ALA A 196 8.531 3.562 1.856 1.00 1.73 C ATOM 0 H ALA A 196 8.405 1.162 0.358 1.00 1.46 H new ATOM 0 HA ALA A 196 7.350 2.137 2.937 1.00 1.48 H new ATOM 0 HB1 ALA A 196 8.008 4.430 2.257 1.00 1.73 H new ATOM 0 HB2 ALA A 196 9.421 3.367 2.454 1.00 1.73 H new ATOM 0 HB3 ALA A 196 8.823 3.759 0.824 1.00 1.73 H new ATOM 745 N VAL A 197 5.300 3.085 1.726 1.00 1.22 N ATOM 746 CA VAL A 197 4.130 3.412 0.967 1.00 1.03 C ATOM 747 C VAL A 197 3.924 4.919 0.878 1.00 1.17 C ATOM 748 O VAL A 197 4.017 5.662 1.858 1.00 1.38 O ATOM 749 CB VAL A 197 2.891 2.687 1.495 1.00 0.96 C ATOM 750 CG1 VAL A 197 3.258 1.296 1.968 1.00 1.34 C ATOM 751 CG2 VAL A 197 2.187 3.474 2.566 1.00 1.38 C ATOM 0 H VAL A 197 5.216 3.199 2.736 1.00 1.22 H new ATOM 0 HA VAL A 197 4.290 3.055 -0.050 1.00 1.03 H new ATOM 0 HB VAL A 197 2.183 2.592 0.672 1.00 0.96 H new ATOM 0 HG11 VAL A 197 2.367 0.792 2.341 1.00 1.34 H new ATOM 0 HG12 VAL A 197 3.676 0.728 1.137 1.00 1.34 H new ATOM 0 HG13 VAL A 197 3.996 1.366 2.767 1.00 1.34 H new ATOM 0 HG21 VAL A 197 1.314 2.920 2.910 1.00 1.38 H new ATOM 0 HG22 VAL A 197 2.866 3.638 3.403 1.00 1.38 H new ATOM 0 HG23 VAL A 197 1.870 4.436 2.162 1.00 1.38 H new ATOM 761 N TYR A 198 3.717 5.349 -0.342 1.00 1.15 N ATOM 762 CA TYR A 198 3.467 6.730 -0.677 1.00 1.34 C ATOM 763 C TYR A 198 2.106 6.857 -1.327 1.00 1.26 C ATOM 764 O TYR A 198 1.523 5.865 -1.770 1.00 1.14 O ATOM 765 CB TYR A 198 4.499 7.224 -1.683 1.00 1.63 C ATOM 766 CG TYR A 198 5.808 7.698 -1.112 1.00 1.72 C ATOM 767 CD1 TYR A 198 6.123 9.045 -1.144 1.00 1.98 C ATOM 768 CD2 TYR A 198 6.737 6.813 -0.584 1.00 1.77 C ATOM 769 CE1 TYR A 198 7.327 9.506 -0.665 1.00 2.34 C ATOM 770 CE2 TYR A 198 7.947 7.262 -0.095 1.00 2.18 C ATOM 771 CZ TYR A 198 8.240 8.612 -0.138 1.00 2.48 C ATOM 772 OH TYR A 198 9.445 9.068 0.344 1.00 2.99 O ATOM 0 H TYR A 198 3.718 4.730 -1.153 1.00 1.15 H new ATOM 0 HA TYR A 198 3.519 7.317 0.240 1.00 1.34 H new ATOM 0 HB2 TYR A 198 4.704 6.418 -2.388 1.00 1.63 H new ATOM 0 HB3 TYR A 198 4.058 8.041 -2.253 1.00 1.63 H new ATOM 0 HD1 TYR A 198 5.411 9.747 -1.552 1.00 1.98 H new ATOM 0 HD2 TYR A 198 6.510 5.758 -0.555 1.00 1.77 H new ATOM 0 HE1 TYR A 198 7.558 10.560 -0.700 1.00 2.34 H new ATOM 0 HE2 TYR A 198 8.660 6.564 0.318 1.00 2.18 H new ATOM 0 HH TYR A 198 9.970 8.312 0.680 1.00 2.99 H new ATOM 782 N ARG A 199 1.621 8.075 -1.408 1.00 1.43 N ATOM 783 CA ARG A 199 0.413 8.362 -2.154 1.00 1.48 C ATOM 784 C ARG A 199 0.530 9.718 -2.811 1.00 1.74 C ATOM 785 O ARG A 199 1.162 10.622 -2.273 1.00 1.91 O ATOM 786 CB ARG A 199 -0.817 8.297 -1.251 1.00 1.43 C ATOM 787 CG ARG A 199 -0.694 9.126 0.013 1.00 1.49 C ATOM 788 CD ARG A 199 -1.882 8.918 0.936 1.00 1.54 C ATOM 789 NE ARG A 199 -3.135 9.401 0.358 1.00 1.88 N ATOM 790 CZ ARG A 199 -4.197 9.747 1.083 1.00 2.06 C ATOM 791 NH1 ARG A 199 -4.128 9.749 2.409 1.00 2.20 N ATOM 792 NH2 ARG A 199 -5.321 10.110 0.484 1.00 2.64 N ATOM 0 H ARG A 199 2.046 8.889 -0.964 1.00 1.43 H new ATOM 0 HA ARG A 199 0.291 7.605 -2.928 1.00 1.48 H new ATOM 0 HB2 ARG A 199 -1.687 8.636 -1.813 1.00 1.43 H new ATOM 0 HB3 ARG A 199 -1.000 7.258 -0.976 1.00 1.43 H new ATOM 0 HG2 ARG A 199 0.225 8.859 0.536 1.00 1.49 H new ATOM 0 HG3 ARG A 199 -0.617 10.181 -0.249 1.00 1.49 H new ATOM 0 HD2 ARG A 199 -1.977 7.857 1.166 1.00 1.54 H new ATOM 0 HD3 ARG A 199 -1.699 9.433 1.879 1.00 1.54 H new ATOM 0 HE ARG A 199 -3.199 9.477 -0.657 1.00 1.88 H new ATOM 0 HH11 ARG A 199 -3.260 9.485 2.875 1.00 2.20 H new ATOM 0 HH12 ARG A 199 -4.943 10.015 2.962 1.00 2.20 H new ATOM 0 HH21 ARG A 199 -5.374 10.125 -0.534 1.00 2.64 H new ATOM 0 HH22 ARG A 199 -6.133 10.375 1.041 1.00 2.64 H new ATOM 806 N ILE A 200 -0.042 9.846 -3.988 1.00 1.86 N ATOM 807 CA ILE A 200 0.054 11.081 -4.736 1.00 2.14 C ATOM 808 C ILE A 200 -1.200 11.921 -4.542 1.00 2.23 C ATOM 809 O ILE A 200 -2.323 11.475 -4.793 1.00 2.21 O ATOM 810 CB ILE A 200 0.342 10.816 -6.236 1.00 2.31 C ATOM 811 CG1 ILE A 200 1.855 10.751 -6.489 1.00 2.35 C ATOM 812 CG2 ILE A 200 -0.259 11.900 -7.114 1.00 2.60 C ATOM 813 CD1 ILE A 200 2.637 9.921 -5.497 1.00 2.31 C ATOM 0 H ILE A 200 -0.578 9.110 -4.448 1.00 1.86 H new ATOM 0 HA ILE A 200 0.900 11.648 -4.348 1.00 2.14 H new ATOM 0 HB ILE A 200 -0.116 9.860 -6.491 1.00 2.31 H new ATOM 0 HG12 ILE A 200 2.023 10.349 -7.488 1.00 2.35 H new ATOM 0 HG13 ILE A 200 2.252 11.766 -6.483 1.00 2.35 H new ATOM 0 HG21 ILE A 200 -0.039 11.685 -8.160 1.00 2.60 H new ATOM 0 HG22 ILE A 200 -1.339 11.929 -6.969 1.00 2.60 H new ATOM 0 HG23 ILE A 200 0.169 12.865 -6.845 1.00 2.60 H new ATOM 0 HD11 ILE A 200 3.694 9.938 -5.762 1.00 2.31 H new ATOM 0 HD12 ILE A 200 2.507 10.332 -4.496 1.00 2.31 H new ATOM 0 HD13 ILE A 200 2.275 8.893 -5.517 1.00 2.31 H new ATOM 825 N GLN A 201 -0.984 13.125 -4.048 1.00 2.38 N ATOM 826 CA GLN A 201 -2.049 14.069 -3.806 1.00 2.53 C ATOM 827 C GLN A 201 -2.085 15.052 -4.971 1.00 2.80 C ATOM 828 O GLN A 201 -1.845 14.649 -6.102 1.00 2.86 O ATOM 829 CB GLN A 201 -1.799 14.782 -2.475 1.00 2.58 C ATOM 830 CG GLN A 201 -3.065 15.168 -1.731 1.00 2.68 C ATOM 831 CD GLN A 201 -2.804 15.439 -0.265 1.00 2.82 C ATOM 832 OE1 GLN A 201 -2.497 16.562 0.128 1.00 3.03 O ATOM 833 NE2 GLN A 201 -2.919 14.408 0.555 1.00 3.22 N ATOM 0 H GLN A 201 -0.058 13.474 -3.803 1.00 2.38 H new ATOM 0 HA GLN A 201 -3.014 13.567 -3.738 1.00 2.53 H new ATOM 0 HB2 GLN A 201 -1.198 14.135 -1.836 1.00 2.58 H new ATOM 0 HB3 GLN A 201 -1.212 15.681 -2.661 1.00 2.58 H new ATOM 0 HG2 GLN A 201 -3.499 16.055 -2.191 1.00 2.68 H new ATOM 0 HG3 GLN A 201 -3.799 14.368 -1.826 1.00 2.68 H new ATOM 0 HE21 GLN A 201 -3.176 13.491 0.189 1.00 3.22 H new ATOM 0 HE22 GLN A 201 -2.751 14.529 1.554 1.00 3.22 H new ATOM 842 N ASP A 202 -2.352 16.324 -4.689 1.00 2.99 N ATOM 843 CA ASP A 202 -2.438 17.376 -5.715 1.00 3.26 C ATOM 844 C ASP A 202 -1.168 17.458 -6.574 1.00 3.36 C ATOM 845 O ASP A 202 -0.318 18.323 -6.360 1.00 3.48 O ATOM 846 CB ASP A 202 -2.652 18.716 -5.024 1.00 3.44 C ATOM 847 CG ASP A 202 -2.968 19.840 -5.991 1.00 3.72 C ATOM 848 OD1 ASP A 202 -4.142 19.971 -6.389 1.00 3.97 O ATOM 849 OD2 ASP A 202 -2.045 20.606 -6.351 1.00 4.02 O ATOM 0 H ASP A 202 -2.516 16.662 -3.741 1.00 2.99 H new ATOM 0 HA ASP A 202 -3.270 17.132 -6.375 1.00 3.26 H new ATOM 0 HB2 ASP A 202 -3.467 18.622 -4.307 1.00 3.44 H new ATOM 0 HB3 ASP A 202 -1.757 18.973 -4.458 1.00 3.44 H new ATOM 854 N GLY A 203 -1.041 16.548 -7.536 1.00 3.34 N ATOM 855 CA GLY A 203 0.146 16.483 -8.371 1.00 3.46 C ATOM 856 C GLY A 203 1.405 16.213 -7.564 1.00 3.33 C ATOM 857 O GLY A 203 2.515 16.251 -8.096 1.00 3.47 O ATOM 0 H GLY A 203 -1.749 15.846 -7.754 1.00 3.34 H new ATOM 0 HA2 GLY A 203 0.020 15.698 -9.117 1.00 3.46 H new ATOM 0 HA3 GLY A 203 0.259 17.422 -8.912 1.00 3.46 H new ATOM 861 N GLU A 204 1.230 15.924 -6.282 1.00 3.11 N ATOM 862 CA GLU A 204 2.345 15.822 -5.364 1.00 3.04 C ATOM 863 C GLU A 204 2.356 14.467 -4.683 1.00 2.75 C ATOM 864 O GLU A 204 1.547 13.604 -4.990 1.00 2.61 O ATOM 865 CB GLU A 204 2.233 16.932 -4.327 1.00 3.15 C ATOM 866 CG GLU A 204 1.017 16.791 -3.434 1.00 3.02 C ATOM 867 CD GLU A 204 0.799 17.993 -2.542 1.00 3.20 C ATOM 868 OE1 GLU A 204 1.516 18.127 -1.532 1.00 3.45 O ATOM 869 OE2 GLU A 204 -0.097 18.808 -2.843 1.00 3.48 O ATOM 0 H GLU A 204 0.318 15.756 -5.856 1.00 3.11 H new ATOM 0 HA GLU A 204 3.278 15.927 -5.917 1.00 3.04 H new ATOM 0 HB2 GLU A 204 3.131 16.936 -3.710 1.00 3.15 H new ATOM 0 HB3 GLU A 204 2.192 17.895 -4.837 1.00 3.15 H new ATOM 0 HG2 GLU A 204 0.133 16.640 -4.054 1.00 3.02 H new ATOM 0 HG3 GLU A 204 1.128 15.901 -2.815 1.00 3.02 H new ATOM 876 N LYS A 205 3.276 14.294 -3.762 1.00 2.71 N ATOM 877 CA LYS A 205 3.417 13.049 -3.037 1.00 2.46 C ATOM 878 C LYS A 205 3.313 13.272 -1.541 1.00 2.42 C ATOM 879 O LYS A 205 3.683 14.326 -1.025 1.00 2.62 O ATOM 880 CB LYS A 205 4.764 12.416 -3.339 1.00 2.49 C ATOM 881 CG LYS A 205 5.024 12.202 -4.813 1.00 2.61 C ATOM 882 CD LYS A 205 6.495 11.980 -5.078 1.00 2.75 C ATOM 883 CE LYS A 205 7.046 10.873 -4.202 1.00 2.53 C ATOM 884 NZ LYS A 205 8.453 10.548 -4.549 1.00 2.70 N ATOM 0 H LYS A 205 3.949 15.012 -3.493 1.00 2.71 H new ATOM 0 HA LYS A 205 2.611 12.389 -3.358 1.00 2.46 H new ATOM 0 HB2 LYS A 205 5.552 13.048 -2.929 1.00 2.49 H new ATOM 0 HB3 LYS A 205 4.827 11.456 -2.826 1.00 2.49 H new ATOM 0 HG2 LYS A 205 4.454 11.342 -5.165 1.00 2.61 H new ATOM 0 HG3 LYS A 205 4.676 13.068 -5.377 1.00 2.61 H new ATOM 0 HD2 LYS A 205 6.644 11.726 -6.127 1.00 2.75 H new ATOM 0 HD3 LYS A 205 7.045 12.903 -4.892 1.00 2.75 H new ATOM 0 HE2 LYS A 205 6.989 11.174 -3.156 1.00 2.53 H new ATOM 0 HE3 LYS A 205 6.429 9.981 -4.311 1.00 2.53 H new ATOM 0 HZ1 LYS A 205 8.796 9.787 -3.929 1.00 2.70 H new ATOM 0 HZ2 LYS A 205 8.503 10.237 -5.540 1.00 2.70 H new ATOM 0 HZ3 LYS A 205 9.046 11.393 -4.421 1.00 2.70 H new ATOM 898 N LYS A 206 2.806 12.264 -0.869 1.00 2.19 N ATOM 899 CA LYS A 206 2.730 12.228 0.581 1.00 2.19 C ATOM 900 C LYS A 206 3.160 10.845 1.062 1.00 2.01 C ATOM 901 O LYS A 206 2.547 9.841 0.692 1.00 1.82 O ATOM 902 CB LYS A 206 1.302 12.524 1.067 1.00 2.17 C ATOM 903 CG LYS A 206 0.793 13.920 0.726 1.00 2.38 C ATOM 904 CD LYS A 206 1.664 14.998 1.349 1.00 2.68 C ATOM 905 CE LYS A 206 1.126 16.396 1.076 1.00 2.93 C ATOM 906 NZ LYS A 206 -0.119 16.683 1.837 1.00 3.25 N ATOM 0 H LYS A 206 2.427 11.430 -1.318 1.00 2.19 H new ATOM 0 HA LYS A 206 3.391 12.993 0.989 1.00 2.19 H new ATOM 0 HB2 LYS A 206 0.625 11.788 0.633 1.00 2.17 H new ATOM 0 HB3 LYS A 206 1.265 12.392 2.148 1.00 2.17 H new ATOM 0 HG2 LYS A 206 0.774 14.047 -0.356 1.00 2.38 H new ATOM 0 HG3 LYS A 206 -0.233 14.031 1.078 1.00 2.38 H new ATOM 0 HD2 LYS A 206 1.725 14.837 2.425 1.00 2.68 H new ATOM 0 HD3 LYS A 206 2.678 14.917 0.956 1.00 2.68 H new ATOM 0 HE2 LYS A 206 1.886 17.132 1.337 1.00 2.93 H new ATOM 0 HE3 LYS A 206 0.930 16.505 0.009 1.00 2.93 H new ATOM 0 HZ1 LYS A 206 -0.064 17.638 2.245 1.00 3.25 H new ATOM 0 HZ2 LYS A 206 -0.937 16.626 1.198 1.00 3.25 H new ATOM 0 HZ3 LYS A 206 -0.227 15.986 2.601 1.00 3.25 H new ATOM 920 N PRO A 207 4.247 10.761 1.842 1.00 2.11 N ATOM 921 CA PRO A 207 4.703 9.494 2.408 1.00 2.00 C ATOM 922 C PRO A 207 3.827 9.056 3.571 1.00 1.97 C ATOM 923 O PRO A 207 3.538 9.839 4.478 1.00 2.17 O ATOM 924 CB PRO A 207 6.119 9.798 2.878 1.00 2.22 C ATOM 925 CG PRO A 207 6.130 11.264 3.151 1.00 2.47 C ATOM 926 CD PRO A 207 5.117 11.887 2.224 1.00 2.38 C ATOM 0 HA PRO A 207 4.659 8.677 1.688 1.00 2.00 H new ATOM 0 HB2 PRO A 207 6.368 9.228 3.773 1.00 2.22 H new ATOM 0 HB3 PRO A 207 6.853 9.533 2.117 1.00 2.22 H new ATOM 0 HG2 PRO A 207 5.877 11.465 4.192 1.00 2.47 H new ATOM 0 HG3 PRO A 207 7.122 11.682 2.977 1.00 2.47 H new ATOM 0 HD2 PRO A 207 4.553 12.677 2.721 1.00 2.38 H new ATOM 0 HD3 PRO A 207 5.595 12.336 1.353 1.00 2.38 H new ATOM 934 N ILE A 208 3.401 7.809 3.539 1.00 1.77 N ATOM 935 CA ILE A 208 2.452 7.317 4.528 1.00 1.77 C ATOM 936 C ILE A 208 3.151 6.563 5.656 1.00 1.91 C ATOM 937 O ILE A 208 4.265 6.057 5.495 1.00 1.91 O ATOM 938 CB ILE A 208 1.425 6.401 3.848 1.00 1.50 C ATOM 939 CG1 ILE A 208 0.840 7.108 2.630 1.00 1.41 C ATOM 940 CG2 ILE A 208 0.317 6.008 4.812 1.00 1.59 C ATOM 941 CD1 ILE A 208 0.239 6.174 1.609 1.00 1.18 C ATOM 0 H ILE A 208 3.692 7.119 2.846 1.00 1.77 H new ATOM 0 HA ILE A 208 1.948 8.178 4.966 1.00 1.77 H new ATOM 0 HB ILE A 208 1.930 5.488 3.531 1.00 1.50 H new ATOM 0 HG12 ILE A 208 0.074 7.808 2.962 1.00 1.41 H new ATOM 0 HG13 ILE A 208 1.624 7.696 2.153 1.00 1.41 H new ATOM 0 HG21 ILE A 208 -0.395 5.359 4.302 1.00 1.59 H new ATOM 0 HG22 ILE A 208 0.746 5.478 5.663 1.00 1.59 H new ATOM 0 HG23 ILE A 208 -0.195 6.904 5.163 1.00 1.59 H new ATOM 0 HD11 ILE A 208 -0.155 6.753 0.774 1.00 1.18 H new ATOM 0 HD12 ILE A 208 1.006 5.490 1.246 1.00 1.18 H new ATOM 0 HD13 ILE A 208 -0.568 5.604 2.068 1.00 1.18 H new ATOM 953 N GLY A 209 2.485 6.499 6.798 1.00 2.07 N ATOM 954 CA GLY A 209 3.015 5.789 7.940 1.00 2.25 C ATOM 955 C GLY A 209 2.417 4.404 8.045 1.00 2.13 C ATOM 956 O GLY A 209 1.247 4.211 7.727 1.00 2.01 O ATOM 0 H GLY A 209 1.575 6.933 6.954 1.00 2.07 H new ATOM 0 HA2 GLY A 209 4.099 5.715 7.855 1.00 2.25 H new ATOM 0 HA3 GLY A 209 2.804 6.350 8.851 1.00 2.25 H new ATOM 960 N TRP A 210 3.201 3.444 8.510 1.00 2.20 N ATOM 961 CA TRP A 210 2.784 2.043 8.508 1.00 2.11 C ATOM 962 C TRP A 210 1.643 1.761 9.487 1.00 2.30 C ATOM 963 O TRP A 210 1.007 0.709 9.413 1.00 2.25 O ATOM 964 CB TRP A 210 3.973 1.128 8.797 1.00 2.18 C ATOM 965 CG TRP A 210 4.886 0.971 7.619 1.00 1.97 C ATOM 966 CD1 TRP A 210 6.099 1.569 7.428 1.00 2.05 C ATOM 967 CD2 TRP A 210 4.648 0.167 6.460 1.00 1.69 C ATOM 968 NE1 TRP A 210 6.627 1.183 6.219 1.00 1.86 N ATOM 969 CE2 TRP A 210 5.757 0.320 5.608 1.00 1.62 C ATOM 970 CE3 TRP A 210 3.606 -0.672 6.060 1.00 1.54 C ATOM 971 CZ2 TRP A 210 5.849 -0.333 4.383 1.00 1.40 C ATOM 972 CZ3 TRP A 210 3.700 -1.320 4.843 1.00 1.31 C ATOM 973 CH2 TRP A 210 4.815 -1.147 4.018 1.00 1.24 C ATOM 0 H TRP A 210 4.132 3.606 8.895 1.00 2.20 H new ATOM 0 HA TRP A 210 2.402 1.832 7.509 1.00 2.11 H new ATOM 0 HB2 TRP A 210 4.538 1.530 9.638 1.00 2.18 H new ATOM 0 HB3 TRP A 210 3.606 0.147 9.099 1.00 2.18 H new ATOM 0 HD1 TRP A 210 6.573 2.245 8.124 1.00 2.05 H new ATOM 0 HE1 TRP A 210 7.522 1.490 5.838 1.00 1.86 H new ATOM 0 HE3 TRP A 210 2.741 -0.812 6.691 1.00 1.54 H new ATOM 0 HZ2 TRP A 210 6.709 -0.201 3.743 1.00 1.40 H new ATOM 0 HZ3 TRP A 210 2.899 -1.971 4.524 1.00 1.31 H new ATOM 0 HH2 TRP A 210 4.860 -1.668 3.073 1.00 1.24 H new ATOM 984 N ASP A 211 1.363 2.700 10.381 1.00 2.54 N ATOM 985 CA ASP A 211 0.309 2.505 11.372 1.00 2.76 C ATOM 986 C ASP A 211 -0.922 3.323 11.032 1.00 2.71 C ATOM 987 O ASP A 211 -1.819 3.498 11.856 1.00 2.92 O ATOM 988 CB ASP A 211 0.784 2.836 12.788 1.00 3.09 C ATOM 989 CG ASP A 211 1.487 4.177 12.892 1.00 3.39 C ATOM 990 OD1 ASP A 211 0.810 5.221 12.812 1.00 3.79 O ATOM 991 OD2 ASP A 211 2.726 4.193 13.066 1.00 3.79 O ATOM 0 H ASP A 211 1.845 3.597 10.442 1.00 2.54 H new ATOM 0 HA ASP A 211 0.046 1.447 11.345 1.00 2.76 H new ATOM 0 HB2 ASP A 211 -0.073 2.831 13.461 1.00 3.09 H new ATOM 0 HB3 ASP A 211 1.461 2.052 13.128 1.00 3.09 H new ATOM 996 N THR A 212 -0.963 3.813 9.811 1.00 2.44 N ATOM 997 CA THR A 212 -2.125 4.517 9.315 1.00 2.39 C ATOM 998 C THR A 212 -3.226 3.511 8.992 1.00 2.29 C ATOM 999 O THR A 212 -2.975 2.517 8.311 1.00 2.10 O ATOM 1000 CB THR A 212 -1.759 5.329 8.059 1.00 2.18 C ATOM 1001 OG1 THR A 212 -0.782 6.322 8.391 1.00 2.33 O ATOM 1002 CG2 THR A 212 -2.983 5.995 7.445 1.00 2.12 C ATOM 0 H THR A 212 -0.199 3.735 9.140 1.00 2.44 H new ATOM 0 HA THR A 212 -2.482 5.208 10.079 1.00 2.39 H new ATOM 0 HB THR A 212 -1.348 4.639 7.322 1.00 2.18 H new ATOM 0 HG1 THR A 212 0.117 5.952 8.265 1.00 2.33 H new ATOM 0 HG21 THR A 212 -2.685 6.559 6.561 1.00 2.12 H new ATOM 0 HG22 THR A 212 -3.708 5.232 7.162 1.00 2.12 H new ATOM 0 HG23 THR A 212 -3.433 6.671 8.172 1.00 2.12 H new ATOM 1010 N ASP A 213 -4.425 3.741 9.517 1.00 2.46 N ATOM 1011 CA ASP A 213 -5.552 2.857 9.240 1.00 2.43 C ATOM 1012 C ASP A 213 -5.912 2.949 7.764 1.00 2.14 C ATOM 1013 O ASP A 213 -6.348 3.997 7.281 1.00 2.12 O ATOM 1014 CB ASP A 213 -6.753 3.221 10.116 1.00 2.70 C ATOM 1015 CG ASP A 213 -7.887 2.217 10.014 1.00 3.00 C ATOM 1016 OD1 ASP A 213 -8.721 2.343 9.098 1.00 3.38 O ATOM 1017 OD2 ASP A 213 -7.966 1.312 10.875 1.00 3.47 O ATOM 0 H ASP A 213 -4.641 4.526 10.132 1.00 2.46 H new ATOM 0 HA ASP A 213 -5.270 1.831 9.475 1.00 2.43 H new ATOM 0 HB2 ASP A 213 -6.430 3.292 11.155 1.00 2.70 H new ATOM 0 HB3 ASP A 213 -7.120 4.206 9.828 1.00 2.70 H new ATOM 1022 N ILE A 214 -5.715 1.847 7.053 1.00 1.95 N ATOM 1023 CA ILE A 214 -5.824 1.836 5.598 1.00 1.68 C ATOM 1024 C ILE A 214 -7.270 2.019 5.129 1.00 1.75 C ATOM 1025 O ILE A 214 -7.525 2.286 3.953 1.00 1.61 O ATOM 1026 CB ILE A 214 -5.213 0.543 5.000 1.00 1.51 C ATOM 1027 CG1 ILE A 214 -5.326 0.542 3.471 1.00 1.27 C ATOM 1028 CG2 ILE A 214 -5.866 -0.691 5.596 1.00 1.71 C ATOM 1029 CD1 ILE A 214 -4.863 -0.742 2.836 1.00 1.17 C ATOM 0 H ILE A 214 -5.477 0.943 7.462 1.00 1.95 H new ATOM 0 HA ILE A 214 -5.251 2.688 5.231 1.00 1.68 H new ATOM 0 HB ILE A 214 -4.154 0.519 5.258 1.00 1.51 H new ATOM 0 HG12 ILE A 214 -6.364 0.723 3.191 1.00 1.27 H new ATOM 0 HG13 ILE A 214 -4.739 1.369 3.071 1.00 1.27 H new ATOM 0 HG21 ILE A 214 -5.420 -1.585 5.160 1.00 1.71 H new ATOM 0 HG22 ILE A 214 -5.713 -0.698 6.675 1.00 1.71 H new ATOM 0 HG23 ILE A 214 -6.935 -0.677 5.381 1.00 1.71 H new ATOM 0 HD11 ILE A 214 -4.971 -0.672 1.754 1.00 1.17 H new ATOM 0 HD12 ILE A 214 -3.816 -0.915 3.086 1.00 1.17 H new ATOM 0 HD13 ILE A 214 -5.466 -1.570 3.208 1.00 1.17 H new ATOM 1041 N SER A 215 -8.220 1.931 6.047 1.00 2.01 N ATOM 1042 CA SER A 215 -9.614 2.107 5.688 1.00 2.14 C ATOM 1043 C SER A 215 -9.900 3.570 5.335 1.00 2.17 C ATOM 1044 O SER A 215 -10.939 3.889 4.758 1.00 2.27 O ATOM 1045 CB SER A 215 -10.529 1.629 6.820 1.00 2.43 C ATOM 1046 OG SER A 215 -11.900 1.723 6.465 1.00 2.91 O ATOM 0 H SER A 215 -8.052 1.741 7.035 1.00 2.01 H new ATOM 0 HA SER A 215 -9.821 1.499 4.807 1.00 2.14 H new ATOM 0 HB2 SER A 215 -10.288 0.596 7.070 1.00 2.43 H new ATOM 0 HB3 SER A 215 -10.343 2.225 7.714 1.00 2.43 H new ATOM 0 HG SER A 215 -12.005 2.365 5.732 1.00 2.91 H new ATOM 1052 N TRP A 216 -8.975 4.462 5.687 1.00 2.14 N ATOM 1053 CA TRP A 216 -9.094 5.869 5.321 1.00 2.20 C ATOM 1054 C TRP A 216 -8.382 6.141 4.001 1.00 1.97 C ATOM 1055 O TRP A 216 -8.384 7.266 3.501 1.00 2.05 O ATOM 1056 CB TRP A 216 -8.513 6.770 6.414 1.00 2.34 C ATOM 1057 CG TRP A 216 -9.181 6.601 7.743 1.00 2.73 C ATOM 1058 CD1 TRP A 216 -10.519 6.478 7.979 1.00 3.17 C ATOM 1059 CD2 TRP A 216 -8.541 6.553 9.020 1.00 3.19 C ATOM 1060 NE1 TRP A 216 -10.749 6.343 9.326 1.00 3.82 N ATOM 1061 CE2 TRP A 216 -9.550 6.389 9.987 1.00 3.89 C ATOM 1062 CE3 TRP A 216 -7.211 6.629 9.441 1.00 3.35 C ATOM 1063 CZ2 TRP A 216 -9.272 6.298 11.346 1.00 4.68 C ATOM 1064 CZ3 TRP A 216 -6.935 6.541 10.791 1.00 4.17 C ATOM 1065 CH2 TRP A 216 -7.960 6.376 11.729 1.00 4.80 C ATOM 0 H TRP A 216 -8.138 4.234 6.224 1.00 2.14 H new ATOM 0 HA TRP A 216 -10.154 6.095 5.208 1.00 2.20 H new ATOM 0 HB2 TRP A 216 -7.449 6.558 6.521 1.00 2.34 H new ATOM 0 HB3 TRP A 216 -8.601 7.810 6.101 1.00 2.34 H new ATOM 0 HD1 TRP A 216 -11.285 6.486 7.218 1.00 3.17 H new ATOM 0 HE1 TRP A 216 -11.663 6.227 9.763 1.00 3.82 H new ATOM 0 HE3 TRP A 216 -6.413 6.754 8.724 1.00 3.35 H new ATOM 0 HZ2 TRP A 216 -10.061 6.171 12.072 1.00 4.68 H new ATOM 0 HZ3 TRP A 216 -5.911 6.601 11.129 1.00 4.17 H new ATOM 0 HH2 TRP A 216 -7.711 6.309 12.778 1.00 4.80 H new ATOM 1076 N LEU A 217 -7.764 5.110 3.441 1.00 1.74 N ATOM 1077 CA LEU A 217 -6.979 5.272 2.226 1.00 1.56 C ATOM 1078 C LEU A 217 -7.726 4.718 1.022 1.00 1.52 C ATOM 1079 O LEU A 217 -7.164 4.597 -0.066 1.00 1.41 O ATOM 1080 CB LEU A 217 -5.623 4.572 2.361 1.00 1.37 C ATOM 1081 CG LEU A 217 -4.867 4.849 3.659 1.00 1.49 C ATOM 1082 CD1 LEU A 217 -3.562 4.068 3.694 1.00 2.13 C ATOM 1083 CD2 LEU A 217 -4.602 6.333 3.792 1.00 1.78 C ATOM 0 H LEU A 217 -7.791 4.158 3.806 1.00 1.74 H new ATOM 0 HA LEU A 217 -6.813 6.339 2.076 1.00 1.56 H new ATOM 0 HB2 LEU A 217 -5.778 3.497 2.274 1.00 1.37 H new ATOM 0 HB3 LEU A 217 -4.994 4.872 1.523 1.00 1.37 H new ATOM 0 HG LEU A 217 -5.479 4.524 4.500 1.00 1.49 H new ATOM 0 HD11 LEU A 217 -3.037 4.278 4.626 1.00 2.13 H new ATOM 0 HD12 LEU A 217 -3.775 3.001 3.630 1.00 2.13 H new ATOM 0 HD13 LEU A 217 -2.938 4.365 2.851 1.00 2.13 H new ATOM 0 HD21 LEU A 217 -4.063 6.525 4.720 1.00 1.78 H new ATOM 0 HD22 LEU A 217 -4.003 6.673 2.947 1.00 1.78 H new ATOM 0 HD23 LEU A 217 -5.549 6.872 3.805 1.00 1.78 H new ATOM 1095 N THR A 218 -8.991 4.375 1.224 1.00 1.67 N ATOM 1096 CA THR A 218 -9.823 3.856 0.150 1.00 1.73 C ATOM 1097 C THR A 218 -9.933 4.858 -0.996 1.00 1.80 C ATOM 1098 O THR A 218 -9.822 6.070 -0.795 1.00 1.87 O ATOM 1099 CB THR A 218 -11.244 3.569 0.644 1.00 1.96 C ATOM 1100 OG1 THR A 218 -11.212 3.153 2.012 1.00 2.01 O ATOM 1101 CG2 THR A 218 -11.907 2.495 -0.202 1.00 2.03 C ATOM 0 H THR A 218 -9.463 4.448 2.125 1.00 1.67 H new ATOM 0 HA THR A 218 -9.347 2.938 -0.195 1.00 1.73 H new ATOM 0 HB THR A 218 -11.826 4.487 0.557 1.00 1.96 H new ATOM 0 HG1 THR A 218 -12.125 2.973 2.321 1.00 2.01 H new ATOM 0 HG21 THR A 218 -12.915 2.310 0.169 1.00 2.03 H new ATOM 0 HG22 THR A 218 -11.958 2.828 -1.239 1.00 2.03 H new ATOM 0 HG23 THR A 218 -11.325 1.575 -0.145 1.00 2.03 H new ATOM 1109 N GLY A 219 -10.167 4.339 -2.189 1.00 1.85 N ATOM 1110 CA GLY A 219 -10.379 5.182 -3.352 1.00 2.01 C ATOM 1111 C GLY A 219 -9.106 5.811 -3.890 1.00 1.92 C ATOM 1112 O GLY A 219 -9.122 6.441 -4.945 1.00 2.12 O ATOM 0 H GLY A 219 -10.215 3.338 -2.377 1.00 1.85 H new ATOM 0 HA2 GLY A 219 -10.842 4.588 -4.140 1.00 2.01 H new ATOM 0 HA3 GLY A 219 -11.083 5.973 -3.093 1.00 2.01 H new ATOM 1116 N GLU A 220 -8.007 5.651 -3.173 1.00 1.70 N ATOM 1117 CA GLU A 220 -6.734 6.223 -3.585 1.00 1.64 C ATOM 1118 C GLU A 220 -5.872 5.162 -4.257 1.00 1.53 C ATOM 1119 O GLU A 220 -5.999 3.976 -3.959 1.00 1.46 O ATOM 1120 CB GLU A 220 -5.990 6.774 -2.363 1.00 1.55 C ATOM 1121 CG GLU A 220 -6.774 7.809 -1.570 1.00 1.91 C ATOM 1122 CD GLU A 220 -6.876 9.146 -2.274 1.00 2.14 C ATOM 1123 OE1 GLU A 220 -5.936 9.961 -2.146 1.00 2.60 O ATOM 1124 OE2 GLU A 220 -7.902 9.403 -2.933 1.00 2.61 O ATOM 0 H GLU A 220 -7.970 5.127 -2.298 1.00 1.70 H new ATOM 0 HA GLU A 220 -6.929 7.030 -4.291 1.00 1.64 H new ATOM 0 HB2 GLU A 220 -5.734 5.945 -1.703 1.00 1.55 H new ATOM 0 HB3 GLU A 220 -5.052 7.220 -2.693 1.00 1.55 H new ATOM 0 HG2 GLU A 220 -7.777 7.428 -1.380 1.00 1.91 H new ATOM 0 HG3 GLU A 220 -6.298 7.952 -0.600 1.00 1.91 H new ATOM 1131 N GLU A 221 -5.037 5.578 -5.196 1.00 1.59 N ATOM 1132 CA GLU A 221 -3.983 4.719 -5.699 1.00 1.54 C ATOM 1133 C GLU A 221 -2.692 5.017 -4.959 1.00 1.38 C ATOM 1134 O GLU A 221 -2.184 6.141 -4.977 1.00 1.49 O ATOM 1135 CB GLU A 221 -3.767 4.907 -7.199 1.00 1.83 C ATOM 1136 CG GLU A 221 -4.815 4.260 -8.095 1.00 2.05 C ATOM 1137 CD GLU A 221 -6.243 4.659 -7.786 1.00 2.55 C ATOM 1138 OE1 GLU A 221 -6.598 5.837 -8.000 1.00 3.04 O ATOM 1139 OE2 GLU A 221 -7.027 3.787 -7.363 1.00 3.06 O ATOM 0 H GLU A 221 -5.070 6.504 -5.623 1.00 1.59 H new ATOM 0 HA GLU A 221 -4.284 3.685 -5.532 1.00 1.54 H new ATOM 0 HB2 GLU A 221 -3.739 5.975 -7.414 1.00 1.83 H new ATOM 0 HB3 GLU A 221 -2.789 4.503 -7.462 1.00 1.83 H new ATOM 0 HG2 GLU A 221 -4.596 4.517 -9.131 1.00 2.05 H new ATOM 0 HG3 GLU A 221 -4.728 3.177 -8.010 1.00 2.05 H new ATOM 1146 N LEU A 222 -2.187 4.002 -4.302 1.00 1.15 N ATOM 1147 CA LEU A 222 -0.965 4.094 -3.543 1.00 1.01 C ATOM 1148 C LEU A 222 0.182 3.555 -4.375 1.00 1.13 C ATOM 1149 O LEU A 222 -0.042 2.929 -5.403 1.00 1.30 O ATOM 1150 CB LEU A 222 -1.115 3.265 -2.268 1.00 0.74 C ATOM 1151 CG LEU A 222 -2.253 3.670 -1.331 1.00 0.82 C ATOM 1152 CD1 LEU A 222 -2.217 2.820 -0.074 1.00 1.27 C ATOM 1153 CD2 LEU A 222 -2.180 5.144 -0.980 1.00 1.24 C ATOM 0 H LEU A 222 -2.618 3.078 -4.279 1.00 1.15 H new ATOM 0 HA LEU A 222 -0.761 5.133 -3.283 1.00 1.01 H new ATOM 0 HB2 LEU A 222 -1.259 2.223 -2.552 1.00 0.74 H new ATOM 0 HB3 LEU A 222 -0.179 3.318 -1.713 1.00 0.74 H new ATOM 0 HG LEU A 222 -3.198 3.500 -1.848 1.00 0.82 H new ATOM 0 HD11 LEU A 222 -3.031 3.115 0.588 1.00 1.27 H new ATOM 0 HD12 LEU A 222 -2.330 1.769 -0.342 1.00 1.27 H new ATOM 0 HD13 LEU A 222 -1.264 2.964 0.436 1.00 1.27 H new ATOM 0 HD21 LEU A 222 -3.003 5.400 -0.313 1.00 1.24 H new ATOM 0 HD22 LEU A 222 -1.232 5.353 -0.484 1.00 1.24 H new ATOM 0 HD23 LEU A 222 -2.253 5.739 -1.890 1.00 1.24 H new ATOM 1165 N HIS A 223 1.404 3.799 -3.938 1.00 1.13 N ATOM 1166 CA HIS A 223 2.564 3.219 -4.591 1.00 1.30 C ATOM 1167 C HIS A 223 3.664 3.009 -3.567 1.00 1.19 C ATOM 1168 O HIS A 223 3.821 3.804 -2.639 1.00 1.19 O ATOM 1169 CB HIS A 223 3.058 4.088 -5.756 1.00 1.64 C ATOM 1170 CG HIS A 223 3.732 5.353 -5.344 1.00 1.93 C ATOM 1171 ND1 HIS A 223 5.097 5.524 -5.377 1.00 2.62 N ATOM 1172 CD2 HIS A 223 3.215 6.525 -4.923 1.00 2.09 C ATOM 1173 CE1 HIS A 223 5.391 6.750 -5.002 1.00 3.31 C ATOM 1174 NE2 HIS A 223 4.268 7.386 -4.721 1.00 2.97 N ATOM 0 H HIS A 223 1.619 4.392 -3.137 1.00 1.13 H new ATOM 0 HA HIS A 223 2.276 2.257 -5.016 1.00 1.30 H new ATOM 0 HB2 HIS A 223 3.751 3.503 -6.360 1.00 1.64 H new ATOM 0 HB3 HIS A 223 2.209 4.335 -6.393 1.00 1.64 H new ATOM 0 HD1 HIS A 223 5.774 4.812 -5.649 1.00 2.62 H new ATOM 0 HD2 HIS A 223 2.169 6.746 -4.772 1.00 2.09 H new ATOM 0 HE1 HIS A 223 6.385 7.167 -4.935 1.00 3.31 H new ATOM 1183 N VAL A 224 4.405 1.935 -3.729 1.00 1.19 N ATOM 1184 CA VAL A 224 5.369 1.526 -2.735 1.00 1.14 C ATOM 1185 C VAL A 224 6.792 1.620 -3.266 1.00 1.40 C ATOM 1186 O VAL A 224 7.072 1.316 -4.425 1.00 1.58 O ATOM 1187 CB VAL A 224 5.086 0.091 -2.256 1.00 1.02 C ATOM 1188 CG1 VAL A 224 5.960 -0.283 -1.068 1.00 1.23 C ATOM 1189 CG2 VAL A 224 3.625 -0.054 -1.896 1.00 1.10 C ATOM 0 H VAL A 224 4.357 1.326 -4.546 1.00 1.19 H new ATOM 0 HA VAL A 224 5.272 2.209 -1.891 1.00 1.14 H new ATOM 0 HB VAL A 224 5.326 -0.590 -3.072 1.00 1.02 H new ATOM 0 HG11 VAL A 224 5.733 -1.303 -0.756 1.00 1.23 H new ATOM 0 HG12 VAL A 224 7.010 -0.216 -1.353 1.00 1.23 H new ATOM 0 HG13 VAL A 224 5.764 0.401 -0.242 1.00 1.23 H new ATOM 0 HG21 VAL A 224 3.433 -1.072 -1.558 1.00 1.10 H new ATOM 0 HG22 VAL A 224 3.376 0.646 -1.099 1.00 1.10 H new ATOM 0 HG23 VAL A 224 3.012 0.159 -2.771 1.00 1.10 H new ATOM 1199 N GLU A 225 7.663 2.056 -2.386 1.00 1.47 N ATOM 1200 CA GLU A 225 9.074 2.205 -2.657 1.00 1.74 C ATOM 1201 C GLU A 225 9.813 1.142 -1.864 1.00 1.75 C ATOM 1202 O GLU A 225 9.189 0.374 -1.138 1.00 1.70 O ATOM 1203 CB GLU A 225 9.535 3.589 -2.201 1.00 1.91 C ATOM 1204 CG GLU A 225 8.611 4.711 -2.626 1.00 1.95 C ATOM 1205 CD GLU A 225 8.558 4.916 -4.129 1.00 2.31 C ATOM 1206 OE1 GLU A 225 7.652 4.367 -4.789 1.00 2.72 O ATOM 1207 OE2 GLU A 225 9.411 5.658 -4.657 1.00 2.74 O ATOM 0 H GLU A 225 7.403 2.324 -1.437 1.00 1.47 H new ATOM 0 HA GLU A 225 9.273 2.097 -3.723 1.00 1.74 H new ATOM 0 HB2 GLU A 225 9.621 3.593 -1.114 1.00 1.91 H new ATOM 0 HB3 GLU A 225 10.531 3.780 -2.600 1.00 1.91 H new ATOM 0 HG2 GLU A 225 7.606 4.501 -2.260 1.00 1.95 H new ATOM 0 HG3 GLU A 225 8.936 5.637 -2.152 1.00 1.95 H new ATOM 1214 N VAL A 226 11.121 1.095 -1.980 1.00 1.95 N ATOM 1215 CA VAL A 226 11.911 0.214 -1.135 1.00 2.02 C ATOM 1216 C VAL A 226 12.624 1.022 -0.061 1.00 2.19 C ATOM 1217 O VAL A 226 13.549 1.784 -0.343 1.00 2.37 O ATOM 1218 CB VAL A 226 12.934 -0.585 -1.932 1.00 2.21 C ATOM 1219 CG1 VAL A 226 13.797 -1.453 -1.024 1.00 2.61 C ATOM 1220 CG2 VAL A 226 12.241 -1.427 -2.989 1.00 2.56 C ATOM 0 H VAL A 226 11.661 1.650 -2.644 1.00 1.95 H new ATOM 0 HA VAL A 226 11.221 -0.494 -0.675 1.00 2.02 H new ATOM 0 HB VAL A 226 13.597 0.122 -2.431 1.00 2.21 H new ATOM 0 HG11 VAL A 226 14.515 -2.009 -1.627 1.00 2.61 H new ATOM 0 HG12 VAL A 226 14.331 -0.820 -0.316 1.00 2.61 H new ATOM 0 HG13 VAL A 226 13.163 -2.152 -0.479 1.00 2.61 H new ATOM 0 HG21 VAL A 226 12.986 -1.992 -3.550 1.00 2.56 H new ATOM 0 HG22 VAL A 226 11.548 -2.118 -2.508 1.00 2.56 H new ATOM 0 HG23 VAL A 226 11.691 -0.777 -3.669 1.00 2.56 H new ATOM 1230 N LEU A 227 12.161 0.864 1.160 1.00 2.19 N ATOM 1231 CA LEU A 227 12.667 1.579 2.302 1.00 2.40 C ATOM 1232 C LEU A 227 12.529 0.673 3.524 1.00 2.69 C ATOM 1233 O LEU A 227 11.451 0.161 3.805 1.00 2.86 O ATOM 1234 CB LEU A 227 11.880 2.905 2.389 1.00 2.48 C ATOM 1235 CG LEU A 227 11.660 3.555 3.762 1.00 2.38 C ATOM 1236 CD1 LEU A 227 10.542 2.849 4.509 1.00 2.74 C ATOM 1237 CD2 LEU A 227 12.937 3.553 4.572 1.00 2.55 C ATOM 0 H LEU A 227 11.404 0.219 1.387 1.00 2.19 H new ATOM 0 HA LEU A 227 13.724 1.836 2.232 1.00 2.40 H new ATOM 0 HB2 LEU A 227 12.392 3.633 1.760 1.00 2.48 H new ATOM 0 HB3 LEU A 227 10.899 2.734 1.946 1.00 2.48 H new ATOM 0 HG LEU A 227 11.366 4.593 3.607 1.00 2.38 H new ATOM 0 HD11 LEU A 227 10.398 3.322 5.481 1.00 2.74 H new ATOM 0 HD12 LEU A 227 9.619 2.917 3.932 1.00 2.74 H new ATOM 0 HD13 LEU A 227 10.805 1.801 4.651 1.00 2.74 H new ATOM 0 HD21 LEU A 227 12.754 4.019 5.540 1.00 2.55 H new ATOM 0 HD22 LEU A 227 13.272 2.526 4.721 1.00 2.55 H new ATOM 0 HD23 LEU A 227 13.706 4.112 4.040 1.00 2.55 H new ATOM 1249 N GLU A 228 13.627 0.432 4.218 1.00 2.89 N ATOM 1250 CA GLU A 228 13.606 -0.487 5.343 1.00 3.28 C ATOM 1251 C GLU A 228 13.170 0.213 6.619 1.00 3.62 C ATOM 1252 O GLU A 228 13.967 0.866 7.295 1.00 3.77 O ATOM 1253 CB GLU A 228 14.962 -1.151 5.530 1.00 3.52 C ATOM 1254 CG GLU A 228 15.375 -1.982 4.331 1.00 3.43 C ATOM 1255 CD GLU A 228 16.663 -2.736 4.558 1.00 3.89 C ATOM 1256 OE1 GLU A 228 17.745 -2.120 4.450 1.00 4.27 O ATOM 1257 OE2 GLU A 228 16.597 -3.947 4.844 1.00 4.21 O ATOM 0 H GLU A 228 14.535 0.854 4.026 1.00 2.89 H new ATOM 0 HA GLU A 228 12.874 -1.264 5.120 1.00 3.28 H new ATOM 0 HB2 GLU A 228 15.715 -0.385 5.713 1.00 3.52 H new ATOM 0 HB3 GLU A 228 14.932 -1.787 6.415 1.00 3.52 H new ATOM 0 HG2 GLU A 228 14.581 -2.691 4.095 1.00 3.43 H new ATOM 0 HG3 GLU A 228 15.489 -1.330 3.465 1.00 3.43 H new ATOM 1264 N ASN A 229 11.896 0.068 6.939 1.00 3.90 N ATOM 1265 CA ASN A 229 11.338 0.633 8.154 1.00 4.35 C ATOM 1266 C ASN A 229 11.235 -0.460 9.210 1.00 4.71 C ATOM 1267 O ASN A 229 10.167 -0.726 9.756 1.00 5.25 O ATOM 1268 CB ASN A 229 9.961 1.249 7.884 1.00 4.89 C ATOM 1269 CG ASN A 229 9.586 2.297 8.917 1.00 5.38 C ATOM 1270 OD1 ASN A 229 10.080 2.135 10.131 1.00 6.02 O flip ATOM 1271 ND2 ASN A 229 8.864 3.249 8.624 1.00 5.46 N flip ATOM 0 H ASN A 229 11.223 -0.442 6.367 1.00 3.90 H new ATOM 0 HA ASN A 229 11.993 1.426 8.514 1.00 4.35 H new ATOM 0 HB2 ASN A 229 9.956 1.701 6.892 1.00 4.89 H new ATOM 0 HB3 ASN A 229 9.208 0.461 7.879 1.00 4.89 H new ATOM 0 HD21 ASN A 229 8.501 3.341 7.675 1.00 5.46 H new ATOM 0 HD22 ASN A 229 8.628 3.947 9.330 1.00 5.46 H new ATOM 1278 N VAL A 230 12.364 -1.083 9.491 1.00 4.84 N ATOM 1279 CA VAL A 230 12.408 -2.202 10.420 1.00 5.65 C ATOM 1280 C VAL A 230 12.433 -1.787 11.906 1.00 6.11 C ATOM 1281 O VAL A 230 11.848 -2.492 12.728 1.00 6.23 O ATOM 1282 CB VAL A 230 13.583 -3.161 10.113 1.00 6.17 C ATOM 1283 CG1 VAL A 230 13.325 -3.917 8.824 1.00 6.18 C ATOM 1284 CG2 VAL A 230 14.900 -2.429 10.032 1.00 6.20 C ATOM 0 H VAL A 230 13.267 -0.834 9.089 1.00 4.84 H new ATOM 0 HA VAL A 230 11.468 -2.730 10.261 1.00 5.65 H new ATOM 0 HB VAL A 230 13.649 -3.870 10.938 1.00 6.17 H new ATOM 0 HG11 VAL A 230 14.160 -4.587 8.622 1.00 6.18 H new ATOM 0 HG12 VAL A 230 12.408 -4.499 8.921 1.00 6.18 H new ATOM 0 HG13 VAL A 230 13.221 -3.209 8.002 1.00 6.18 H new ATOM 0 HG21 VAL A 230 15.698 -3.139 9.815 1.00 6.20 H new ATOM 0 HG22 VAL A 230 14.853 -1.682 9.239 1.00 6.20 H new ATOM 0 HG23 VAL A 230 15.101 -1.936 10.983 1.00 6.20 H new ATOM 1294 N PRO A 231 13.082 -0.660 12.310 1.00 6.66 N ATOM 1295 CA PRO A 231 13.138 -0.274 13.725 1.00 7.30 C ATOM 1296 C PRO A 231 11.805 0.275 14.235 1.00 7.91 C ATOM 1297 O PRO A 231 11.085 -0.400 14.974 1.00 8.56 O ATOM 1298 CB PRO A 231 14.225 0.813 13.776 1.00 7.94 C ATOM 1299 CG PRO A 231 14.859 0.818 12.425 1.00 7.85 C ATOM 1300 CD PRO A 231 13.812 0.311 11.481 1.00 6.99 C ATOM 0 HA PRO A 231 13.355 -1.131 14.363 1.00 7.30 H new ATOM 0 HB2 PRO A 231 13.794 1.787 14.009 1.00 7.94 H new ATOM 0 HB3 PRO A 231 14.959 0.596 14.552 1.00 7.94 H new ATOM 0 HG2 PRO A 231 15.182 1.822 12.148 1.00 7.85 H new ATOM 0 HG3 PRO A 231 15.744 0.182 12.406 1.00 7.85 H new ATOM 0 HD2 PRO A 231 13.163 1.112 11.127 1.00 6.99 H new ATOM 0 HD3 PRO A 231 14.252 -0.157 10.600 1.00 6.99 H new ATOM 1308 N LEU A 232 11.475 1.492 13.824 1.00 7.96 N ATOM 1309 CA LEU A 232 10.250 2.148 14.258 1.00 8.80 C ATOM 1310 C LEU A 232 9.498 2.660 13.038 1.00 9.24 C ATOM 1311 O LEU A 232 9.955 3.650 12.428 1.00 9.53 O ATOM 1312 CB LEU A 232 10.581 3.297 15.229 1.00 9.17 C ATOM 1313 CG LEU A 232 9.411 3.870 16.053 1.00 9.63 C ATOM 1314 CD1 LEU A 232 8.470 4.703 15.194 1.00 10.10 C ATOM 1315 CD2 LEU A 232 8.645 2.754 16.745 1.00 10.02 C ATOM 1316 OXT LEU A 232 8.469 2.058 12.674 1.00 9.52 O ATOM 0 H LEU A 232 12.044 2.048 13.186 1.00 7.96 H new ATOM 0 HA LEU A 232 9.616 1.436 14.787 1.00 8.80 H new ATOM 0 HB2 LEU A 232 11.345 2.946 15.923 1.00 9.17 H new ATOM 0 HB3 LEU A 232 11.022 4.111 14.654 1.00 9.17 H new ATOM 0 HG LEU A 232 9.838 4.527 16.810 1.00 9.63 H new ATOM 0 HD11 LEU A 232 7.659 5.089 15.812 1.00 10.10 H new ATOM 0 HD12 LEU A 232 9.019 5.536 14.755 1.00 10.10 H new ATOM 0 HD13 LEU A 232 8.057 4.082 14.399 1.00 10.10 H new ATOM 0 HD21 LEU A 232 7.823 3.180 17.321 1.00 10.02 H new ATOM 0 HD22 LEU A 232 8.247 2.068 15.997 1.00 10.02 H new ATOM 0 HD23 LEU A 232 9.315 2.213 17.413 1.00 10.02 H new TER 1328 LEU A 232 HETATM 1329 C1 6FS A 301 -11.725 -10.135 -4.475 1.00 3.29 C HETATM 1330 C2 6FS A 301 -10.689 -10.815 -5.122 1.00 3.29 C HETATM 1331 C3 6FS A 301 -9.364 -10.445 -4.936 1.00 2.95 C HETATM 1332 C5 6FS A 301 -10.104 -8.682 -3.436 1.00 2.66 C HETATM 1333 C6 6FS A 301 -11.436 -9.068 -3.628 1.00 2.96 C HETATM 1334 C7 6FS A 301 -12.002 -7.357 -2.154 1.00 2.75 C HETATM 1335 C8 6FS A 301 -7.591 -7.914 -3.082 1.00 2.39 C HETATM 1336 C10 6FS A 301 -12.298 -12.161 -6.090 1.00 4.10 C HETATM 1337 C11 6FS A 301 -6.842 -10.938 -5.415 1.00 2.90 C HETATM 1338 C12 6FS A 301 -4.002 -11.369 -6.032 1.00 2.77 C HETATM 1339 C13 6FS A 301 -4.706 -9.136 -6.738 1.00 2.69 C HETATM 1340 C14 6FS A 301 -4.455 -7.964 -7.451 1.00 2.61 C HETATM 1341 C15 6FS A 301 -3.244 -7.813 -8.119 1.00 2.60 C HETATM 1342 C16 6FS A 301 -2.287 -8.809 -8.053 1.00 2.84 C HETATM 1343 C19 6FS A 301 -3.994 -5.758 -8.932 1.00 2.56 C HETATM 1344 C21 6FS A 301 1.095 -8.978 -9.563 1.00 4.50 C HETATM 1345 O7 6FS A 301 0.768 -8.247 -10.525 1.00 4.92 O HETATM 1346 S1 6FS A 301 -5.733 -11.913 -6.346 1.00 3.00 S HETATM 1347 C18 6FS A 301 -3.746 -10.154 -6.689 1.00 2.66 C HETATM 1348 O8 6FS A 301 2.262 -9.277 -9.236 1.00 4.93 O HETATM 1349 O4 6FS A 301 -5.895 -13.396 -5.974 1.00 3.29 O HETATM 1350 O3 6FS A 301 -10.903 -11.867 -5.973 1.00 3.71 O HETATM 1351 O6 6FS A 301 -2.945 -6.739 -8.920 1.00 2.67 O HETATM 1352 C17 6FS A 301 -2.526 -9.979 -7.342 1.00 2.83 C HETATM 1353 C9 6FS A 301 -8.351 -11.179 -5.578 1.00 3.01 C HETATM 1354 O1 6FS A 301 -12.469 -8.427 -2.989 1.00 3.05 O HETATM 1355 C4 6FS A 301 -9.078 -9.370 -4.091 1.00 2.66 C HETATM 1356 C20 6FS A 301 -0.039 -9.552 -8.710 1.00 3.90 C HETATM 1357 O5 6FS A 301 -6.055 -11.752 -7.840 1.00 3.37 O HETATM 1358 N1 6FS A 301 -1.143 -8.582 -8.694 1.00 3.31 N HETATM 1359 O2 6FS A 301 -7.769 -9.019 -3.969 1.00 2.53 O