USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 740 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 191 THR OG1 : rot 180:sc= 0.394 USER MOD Set 1.2: A 218 SER OG : rot -24:sc= 0.407 USER MOD Single : A 165 SER OG : rot 180:sc= 0 USER MOD Single : A 166 HIS : no HD1:sc=-0.00259 X(o=-0.0026,f=-0.0026) USER MOD Single : A 167 MET CE :methyl -163:sc= -0.0865 (180deg=-0.603) USER MOD Single : A 173 TYR OH : rot -1:sc= -0.802 USER MOD Single : A 175 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 177 GLN : amide:sc= -2.58 K(o=-2.6,f=-4.7!) USER MOD Single : A 184 TYR OH : rot 130:sc= -2.67! USER MOD Single : A 188 HIS : no HD1:sc= 0.695 K(o=0.69,f=-4.2!) USER MOD Single : A 190 SER OG : rot 180:sc= 0 USER MOD Single : A 193 GLN : amide:sc= 0.861 K(o=0.86,f=-6!) USER MOD Single : A 196 HIS : no HD1:sc= -1.91 K(o=-1.9,f=-0.31) USER MOD Single : A 202 MET CE :methyl -116:sc= -4.64! (180deg=-4.83!) USER MOD Single : A 203 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 206 SER OG : rot 180:sc= 0 USER MOD Single : A 207 MET CE :methyl -177:sc= -2.56 (180deg=-2.65) USER MOD Single : A 208 THR OG1 : rot 180:sc= 0 USER MOD Single : A 213 THR OG1 : rot 180:sc= 0.105 USER MOD Single : A 214 THR OG1 : rot 180:sc= -1.13 USER MOD Single : A 216 ASN : amide:sc= 0 X(o=0,f=0.0036) USER MOD Single : A 223 CYS SG : rot -26:sc= -0.335 USER MOD Single : A 224 SER OG : rot 103:sc= 1.21 USER MOD Single : A 226 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 227 GLN : amide:sc= -1.11 K(o=-1.1,f=2.5) USER MOD Single : A 232 GLN : amide:sc= -0.483 X(o=-0.48,f=-0.06) USER MOD Single : A 242 SER OG : rot 180:sc= 0 USER MOD Single : A 243 HIS : no HE2:sc= -3.98! C(o=-4!,f=-8.4!) USER MOD Single : A 249 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 250 TYR OH : rot 180:sc= 0 USER MOD Single : A 254 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 164 -14.007 -9.635 -5.432 1.00 5.98 N ATOM 2 CA GLY A 164 -14.441 -9.556 -6.847 1.00 5.08 C ATOM 3 C GLY A 164 -13.275 -9.493 -7.806 1.00 4.07 C ATOM 4 O GLY A 164 -12.117 -9.516 -7.386 1.00 4.09 O ATOM 0 HA2 GLY A 164 -15.056 -10.424 -7.084 1.00 5.08 H new ATOM 0 HA3 GLY A 164 -15.068 -8.674 -6.983 1.00 5.08 H new ATOM 10 N SER A 165 -13.593 -9.386 -9.092 1.00 3.59 N ATOM 11 CA SER A 165 -12.607 -9.417 -10.169 1.00 3.14 C ATOM 12 C SER A 165 -11.509 -8.374 -9.976 1.00 2.20 C ATOM 13 O SER A 165 -11.731 -7.183 -10.199 1.00 2.60 O ATOM 14 CB SER A 165 -13.316 -9.173 -11.500 1.00 3.93 C ATOM 15 OG SER A 165 -14.403 -10.070 -11.668 1.00 4.65 O ATOM 0 H SER A 165 -14.552 -9.274 -9.420 1.00 3.59 H new ATOM 0 HA SER A 165 -12.131 -10.397 -10.161 1.00 3.14 H new ATOM 0 HB2 SER A 165 -13.678 -8.146 -11.541 1.00 3.93 H new ATOM 0 HB3 SER A 165 -12.609 -9.295 -12.321 1.00 3.93 H new ATOM 0 HG SER A 165 -14.843 -9.894 -12.526 1.00 4.65 H new ATOM 21 N HIS A 166 -10.336 -8.839 -9.528 1.00 1.55 N ATOM 22 CA HIS A 166 -9.139 -8.001 -9.364 1.00 0.98 C ATOM 23 C HIS A 166 -9.307 -6.990 -8.220 1.00 0.85 C ATOM 24 O HIS A 166 -8.353 -6.331 -7.811 1.00 1.45 O ATOM 25 CB HIS A 166 -8.809 -7.284 -10.685 1.00 1.69 C ATOM 26 CG HIS A 166 -7.433 -6.688 -10.737 1.00 2.07 C ATOM 27 ND1 HIS A 166 -6.346 -7.438 -11.112 1.00 2.94 N ATOM 28 CD2 HIS A 166 -7.025 -5.423 -10.470 1.00 2.43 C ATOM 29 CE1 HIS A 166 -5.307 -6.620 -11.067 1.00 3.54 C ATOM 30 NE2 HIS A 166 -5.670 -5.389 -10.682 1.00 3.27 N ATOM 0 H HIS A 166 -10.189 -9.814 -9.267 1.00 1.55 H new ATOM 0 HA HIS A 166 -8.306 -8.652 -9.099 1.00 0.98 H new ATOM 0 HB2 HIS A 166 -8.917 -7.993 -11.506 1.00 1.69 H new ATOM 0 HB3 HIS A 166 -9.541 -6.493 -10.848 1.00 1.69 H new ATOM 0 HD2 HIS A 166 -7.647 -4.600 -10.151 1.00 2.43 H new ATOM 0 HE1 HIS A 166 -4.295 -6.908 -11.310 1.00 3.54 H new ATOM 0 HE2 HIS A 166 -5.057 -4.582 -10.568 1.00 3.27 H new ATOM 38 N MET A 167 -10.510 -6.905 -7.678 1.00 0.64 N ATOM 39 CA MET A 167 -10.822 -5.915 -6.658 1.00 0.52 C ATOM 40 C MET A 167 -10.681 -6.517 -5.264 1.00 0.40 C ATOM 41 O MET A 167 -10.872 -5.828 -4.266 1.00 0.39 O ATOM 42 CB MET A 167 -12.244 -5.380 -6.873 1.00 0.71 C ATOM 43 CG MET A 167 -12.533 -4.075 -6.145 1.00 0.99 C ATOM 44 SD MET A 167 -14.178 -3.429 -6.505 1.00 0.96 S ATOM 45 CE MET A 167 -14.075 -1.820 -5.729 1.00 1.20 C ATOM 0 H MET A 167 -11.291 -7.512 -7.928 1.00 0.64 H new ATOM 0 HA MET A 167 -10.117 -5.088 -6.741 1.00 0.52 H new ATOM 0 HB2 MET A 167 -12.408 -5.232 -7.940 1.00 0.71 H new ATOM 0 HB3 MET A 167 -12.958 -6.134 -6.542 1.00 0.71 H new ATOM 0 HG2 MET A 167 -12.436 -4.233 -5.071 1.00 0.99 H new ATOM 0 HG3 MET A 167 -11.786 -3.333 -6.427 1.00 0.99 H new ATOM 0 HE1 MET A 167 -15.078 -1.417 -5.593 1.00 1.20 H new ATOM 0 HE2 MET A 167 -13.587 -1.915 -4.759 1.00 1.20 H new ATOM 0 HE3 MET A 167 -13.496 -1.147 -6.362 1.00 1.20 H new ATOM 55 N ALA A 168 -10.314 -7.799 -5.214 1.00 0.41 N ATOM 56 CA ALA A 168 -10.197 -8.547 -3.958 1.00 0.40 C ATOM 57 C ALA A 168 -9.416 -7.780 -2.894 1.00 0.31 C ATOM 58 O ALA A 168 -9.928 -7.522 -1.803 1.00 0.35 O ATOM 59 CB ALA A 168 -9.542 -9.894 -4.215 1.00 0.53 C ATOM 0 H ALA A 168 -10.089 -8.349 -6.043 1.00 0.41 H new ATOM 0 HA ALA A 168 -11.206 -8.695 -3.574 1.00 0.40 H new ATOM 0 HB1 ALA A 168 -9.459 -10.443 -3.277 1.00 0.53 H new ATOM 0 HB2 ALA A 168 -10.149 -10.465 -4.917 1.00 0.53 H new ATOM 0 HB3 ALA A 168 -8.548 -9.741 -4.635 1.00 0.53 H new ATOM 65 N ALA A 169 -8.188 -7.408 -3.219 1.00 0.28 N ATOM 66 CA ALA A 169 -7.339 -6.684 -2.282 1.00 0.24 C ATOM 67 C ALA A 169 -7.887 -5.287 -2.010 1.00 0.20 C ATOM 68 O ALA A 169 -7.792 -4.775 -0.892 1.00 0.19 O ATOM 69 CB ALA A 169 -5.921 -6.596 -2.821 1.00 0.31 C ATOM 0 H ALA A 169 -7.756 -7.595 -4.124 1.00 0.28 H new ATOM 0 HA ALA A 169 -7.329 -7.232 -1.340 1.00 0.24 H new ATOM 0 HB1 ALA A 169 -5.296 -6.053 -2.113 1.00 0.31 H new ATOM 0 HB2 ALA A 169 -5.522 -7.601 -2.961 1.00 0.31 H new ATOM 0 HB3 ALA A 169 -5.927 -6.071 -3.776 1.00 0.31 H new ATOM 75 N LEU A 170 -8.481 -4.679 -3.029 1.00 0.21 N ATOM 76 CA LEU A 170 -8.939 -3.304 -2.925 1.00 0.19 C ATOM 77 C LEU A 170 -10.137 -3.179 -1.997 1.00 0.16 C ATOM 78 O LEU A 170 -10.110 -2.395 -1.046 1.00 0.17 O ATOM 79 CB LEU A 170 -9.303 -2.737 -4.293 1.00 0.23 C ATOM 80 CG LEU A 170 -9.507 -1.225 -4.295 1.00 0.26 C ATOM 81 CD1 LEU A 170 -8.165 -0.517 -4.357 1.00 0.29 C ATOM 82 CD2 LEU A 170 -10.412 -0.790 -5.434 1.00 0.29 C ATOM 0 H LEU A 170 -8.655 -5.117 -3.934 1.00 0.21 H new ATOM 0 HA LEU A 170 -8.111 -2.731 -2.508 1.00 0.19 H new ATOM 0 HB2 LEU A 170 -8.515 -2.989 -5.003 1.00 0.23 H new ATOM 0 HB3 LEU A 170 -10.215 -3.218 -4.645 1.00 0.23 H new ATOM 0 HG LEU A 170 -10.003 -0.945 -3.366 1.00 0.26 H new ATOM 0 HD11 LEU A 170 -8.322 0.562 -4.358 1.00 0.29 H new ATOM 0 HD12 LEU A 170 -7.566 -0.796 -3.490 1.00 0.29 H new ATOM 0 HD13 LEU A 170 -7.642 -0.808 -5.268 1.00 0.29 H new ATOM 0 HD21 LEU A 170 -10.537 0.293 -5.407 1.00 0.29 H new ATOM 0 HD22 LEU A 170 -9.965 -1.080 -6.385 1.00 0.29 H new ATOM 0 HD23 LEU A 170 -11.385 -1.270 -5.329 1.00 0.29 H new ATOM 94 N GLU A 171 -11.183 -3.948 -2.276 1.00 0.19 N ATOM 95 CA GLU A 171 -12.419 -3.877 -1.505 1.00 0.24 C ATOM 96 C GLU A 171 -12.160 -4.220 -0.041 1.00 0.22 C ATOM 97 O GLU A 171 -12.791 -3.665 0.860 1.00 0.26 O ATOM 98 CB GLU A 171 -13.465 -4.818 -2.098 1.00 0.36 C ATOM 99 CG GLU A 171 -13.007 -6.263 -2.153 1.00 1.00 C ATOM 100 CD GLU A 171 -14.045 -7.185 -2.755 1.00 1.16 C ATOM 101 OE1 GLU A 171 -14.951 -7.632 -2.021 1.00 1.46 O ATOM 102 OE2 GLU A 171 -13.956 -7.473 -3.967 1.00 1.10 O ATOM 0 H GLU A 171 -11.200 -4.631 -3.034 1.00 0.19 H new ATOM 0 HA GLU A 171 -12.800 -2.857 -1.554 1.00 0.24 H new ATOM 0 HB2 GLU A 171 -14.378 -4.755 -1.506 1.00 0.36 H new ATOM 0 HB3 GLU A 171 -13.715 -4.484 -3.105 1.00 0.36 H new ATOM 0 HG2 GLU A 171 -12.089 -6.326 -2.737 1.00 1.00 H new ATOM 0 HG3 GLU A 171 -12.767 -6.602 -1.145 1.00 1.00 H new ATOM 109 N GLY A 172 -11.227 -5.136 0.180 1.00 0.19 N ATOM 110 CA GLY A 172 -10.828 -5.473 1.523 1.00 0.22 C ATOM 111 C GLY A 172 -10.193 -4.303 2.247 1.00 0.19 C ATOM 112 O GLY A 172 -10.617 -3.948 3.348 1.00 0.22 O ATOM 0 H GLY A 172 -10.740 -5.651 -0.553 1.00 0.19 H new ATOM 0 HA2 GLY A 172 -11.699 -5.814 2.083 1.00 0.22 H new ATOM 0 HA3 GLY A 172 -10.123 -6.304 1.492 1.00 0.22 H new ATOM 116 N TYR A 173 -9.184 -3.693 1.632 1.00 0.17 N ATOM 117 CA TYR A 173 -8.439 -2.630 2.289 1.00 0.16 C ATOM 118 C TYR A 173 -9.278 -1.364 2.437 1.00 0.16 C ATOM 119 O TYR A 173 -9.217 -0.713 3.471 1.00 0.18 O ATOM 120 CB TYR A 173 -7.133 -2.316 1.555 1.00 0.17 C ATOM 121 CG TYR A 173 -6.261 -1.335 2.306 1.00 0.16 C ATOM 122 CD1 TYR A 173 -5.939 -1.551 3.640 1.00 0.19 C ATOM 123 CD2 TYR A 173 -5.778 -0.188 1.693 1.00 0.17 C ATOM 124 CE1 TYR A 173 -5.166 -0.652 4.343 1.00 0.20 C ATOM 125 CE2 TYR A 173 -4.997 0.715 2.388 1.00 0.20 C ATOM 126 CZ TYR A 173 -4.698 0.480 3.712 1.00 0.19 C ATOM 127 OH TYR A 173 -3.938 1.386 4.412 1.00 0.24 O ATOM 0 H TYR A 173 -8.867 -3.916 0.688 1.00 0.17 H new ATOM 0 HA TYR A 173 -8.190 -2.993 3.286 1.00 0.16 H new ATOM 0 HB2 TYR A 173 -6.579 -3.241 1.397 1.00 0.17 H new ATOM 0 HB3 TYR A 173 -7.363 -1.910 0.570 1.00 0.17 H new ATOM 0 HD1 TYR A 173 -6.301 -2.440 4.135 1.00 0.19 H new ATOM 0 HD2 TYR A 173 -6.016 0.002 0.657 1.00 0.17 H new ATOM 0 HE1 TYR A 173 -4.929 -0.834 5.381 1.00 0.20 H new ATOM 0 HE2 TYR A 173 -4.623 1.601 1.896 1.00 0.20 H new ATOM 0 HH TYR A 173 -3.841 1.084 5.339 1.00 0.24 H new ATOM 137 N ARG A 174 -10.060 -1.009 1.419 1.00 0.18 N ATOM 138 CA ARG A 174 -10.951 0.155 1.508 1.00 0.23 C ATOM 139 C ARG A 174 -11.955 -0.010 2.640 1.00 0.23 C ATOM 140 O ARG A 174 -12.327 0.979 3.269 1.00 0.25 O ATOM 141 CB ARG A 174 -11.699 0.423 0.199 1.00 0.31 C ATOM 142 CG ARG A 174 -12.683 -0.665 -0.194 1.00 0.93 C ATOM 143 CD ARG A 174 -13.517 -0.254 -1.397 1.00 0.74 C ATOM 144 NE ARG A 174 -14.293 0.957 -1.140 1.00 1.05 N ATOM 145 CZ ARG A 174 -15.332 1.351 -1.872 1.00 1.35 C ATOM 146 NH1 ARG A 174 -15.761 0.602 -2.882 1.00 1.31 N ATOM 147 NH2 ARG A 174 -15.959 2.480 -1.572 1.00 2.09 N ATOM 0 H ARG A 174 -10.098 -1.504 0.528 1.00 0.18 H new ATOM 0 HA ARG A 174 -10.311 1.013 1.711 1.00 0.23 H new ATOM 0 HB2 ARG A 174 -12.236 1.367 0.288 1.00 0.31 H new ATOM 0 HB3 ARG A 174 -10.971 0.545 -0.603 1.00 0.31 H new ATOM 0 HG2 ARG A 174 -12.141 -1.582 -0.422 1.00 0.93 H new ATOM 0 HG3 ARG A 174 -13.340 -0.884 0.648 1.00 0.93 H new ATOM 0 HD2 ARG A 174 -12.862 -0.090 -2.253 1.00 0.74 H new ATOM 0 HD3 ARG A 174 -14.192 -1.067 -1.664 1.00 0.74 H new ATOM 0 HE ARG A 174 -14.020 1.538 -0.348 1.00 1.05 H new ATOM 0 HH11 ARG A 174 -15.294 -0.278 -3.099 1.00 1.31 H new ATOM 0 HH12 ARG A 174 -16.558 0.907 -3.441 1.00 1.31 H new ATOM 0 HH21 ARG A 174 -15.645 3.044 -0.782 1.00 2.09 H new ATOM 0 HH22 ARG A 174 -16.756 2.785 -2.131 1.00 2.09 H new ATOM 161 N LYS A 175 -12.377 -1.234 2.925 1.00 0.22 N ATOM 162 CA LYS A 175 -13.268 -1.461 4.056 1.00 0.25 C ATOM 163 C LYS A 175 -12.528 -1.177 5.372 1.00 0.24 C ATOM 164 O LYS A 175 -13.145 -0.862 6.389 1.00 0.29 O ATOM 165 CB LYS A 175 -13.836 -2.885 4.020 1.00 0.26 C ATOM 166 CG LYS A 175 -14.842 -3.178 5.121 1.00 0.89 C ATOM 167 CD LYS A 175 -15.333 -4.614 5.050 1.00 0.84 C ATOM 168 CE LYS A 175 -16.408 -4.893 6.087 1.00 1.71 C ATOM 169 NZ LYS A 175 -16.834 -6.316 6.071 1.00 2.34 N ATOM 0 H LYS A 175 -12.123 -2.071 2.401 1.00 0.22 H new ATOM 0 HA LYS A 175 -14.112 -0.774 3.989 1.00 0.25 H new ATOM 0 HB2 LYS A 175 -14.312 -3.051 3.054 1.00 0.26 H new ATOM 0 HB3 LYS A 175 -13.013 -3.595 4.096 1.00 0.26 H new ATOM 0 HG2 LYS A 175 -14.384 -2.995 6.093 1.00 0.89 H new ATOM 0 HG3 LYS A 175 -15.689 -2.497 5.034 1.00 0.89 H new ATOM 0 HD2 LYS A 175 -15.728 -4.815 4.054 1.00 0.84 H new ATOM 0 HD3 LYS A 175 -14.494 -5.293 5.204 1.00 0.84 H new ATOM 0 HE2 LYS A 175 -16.032 -4.637 7.078 1.00 1.71 H new ATOM 0 HE3 LYS A 175 -17.270 -4.253 5.898 1.00 1.71 H new ATOM 0 HZ1 LYS A 175 -17.568 -6.467 6.792 1.00 2.34 H new ATOM 0 HZ2 LYS A 175 -17.216 -6.554 5.133 1.00 2.34 H new ATOM 0 HZ3 LYS A 175 -16.017 -6.925 6.276 1.00 2.34 H new ATOM 183 N GLU A 176 -11.202 -1.269 5.334 1.00 0.20 N ATOM 184 CA GLU A 176 -10.380 -0.914 6.483 1.00 0.18 C ATOM 185 C GLU A 176 -10.147 0.599 6.498 1.00 0.20 C ATOM 186 O GLU A 176 -10.324 1.261 7.519 1.00 0.44 O ATOM 187 CB GLU A 176 -9.033 -1.652 6.444 1.00 0.19 C ATOM 188 CG GLU A 176 -8.213 -1.496 7.717 1.00 0.24 C ATOM 189 CD GLU A 176 -8.876 -2.138 8.920 1.00 0.34 C ATOM 190 OE1 GLU A 176 -8.687 -3.356 9.133 1.00 0.70 O ATOM 191 OE2 GLU A 176 -9.591 -1.433 9.663 1.00 0.69 O ATOM 0 H GLU A 176 -10.675 -1.586 4.520 1.00 0.20 H new ATOM 0 HA GLU A 176 -10.904 -1.212 7.391 1.00 0.18 H new ATOM 0 HB2 GLU A 176 -9.215 -2.712 6.267 1.00 0.19 H new ATOM 0 HB3 GLU A 176 -8.451 -1.283 5.600 1.00 0.19 H new ATOM 0 HG2 GLU A 176 -7.229 -1.942 7.568 1.00 0.24 H new ATOM 0 HG3 GLU A 176 -8.056 -0.436 7.916 1.00 0.24 H new ATOM 198 N GLN A 177 -9.747 1.127 5.343 1.00 0.29 N ATOM 199 CA GLN A 177 -9.482 2.554 5.161 1.00 0.22 C ATOM 200 C GLN A 177 -10.612 3.440 5.673 1.00 0.25 C ATOM 201 O GLN A 177 -10.380 4.333 6.482 1.00 0.25 O ATOM 202 CB GLN A 177 -9.248 2.856 3.683 1.00 0.21 C ATOM 203 CG GLN A 177 -8.107 2.072 3.072 1.00 0.20 C ATOM 204 CD GLN A 177 -7.862 2.432 1.619 1.00 0.22 C ATOM 205 OE1 GLN A 177 -8.415 1.813 0.714 1.00 0.24 O ATOM 206 NE2 GLN A 177 -7.031 3.432 1.389 1.00 0.24 N ATOM 0 H GLN A 177 -9.596 0.573 4.500 1.00 0.29 H new ATOM 0 HA GLN A 177 -8.592 2.781 5.748 1.00 0.22 H new ATOM 0 HB2 GLN A 177 -10.162 2.641 3.129 1.00 0.21 H new ATOM 0 HB3 GLN A 177 -9.048 3.921 3.567 1.00 0.21 H new ATOM 0 HG2 GLN A 177 -7.198 2.254 3.646 1.00 0.20 H new ATOM 0 HG3 GLN A 177 -8.323 1.006 3.147 1.00 0.20 H new ATOM 0 HE21 GLN A 177 -6.592 3.920 2.170 1.00 0.24 H new ATOM 0 HE22 GLN A 177 -6.828 3.716 0.431 1.00 0.24 H new ATOM 215 N GLU A 178 -11.829 3.193 5.205 1.00 0.27 N ATOM 216 CA GLU A 178 -12.967 4.040 5.568 1.00 0.31 C ATOM 217 C GLU A 178 -13.246 3.974 7.071 1.00 0.33 C ATOM 218 O GLU A 178 -13.776 4.915 7.662 1.00 0.36 O ATOM 219 CB GLU A 178 -14.210 3.648 4.764 1.00 0.35 C ATOM 220 CG GLU A 178 -14.608 2.187 4.898 1.00 0.39 C ATOM 221 CD GLU A 178 -15.742 1.813 3.967 1.00 0.46 C ATOM 222 OE1 GLU A 178 -15.494 1.636 2.759 1.00 0.41 O ATOM 223 OE2 GLU A 178 -16.891 1.681 4.443 1.00 0.71 O ATOM 0 H GLU A 178 -12.056 2.421 4.578 1.00 0.27 H new ATOM 0 HA GLU A 178 -12.712 5.071 5.322 1.00 0.31 H new ATOM 0 HB2 GLU A 178 -15.046 4.271 5.083 1.00 0.35 H new ATOM 0 HB3 GLU A 178 -14.032 3.869 3.712 1.00 0.35 H new ATOM 0 HG2 GLU A 178 -13.744 1.557 4.687 1.00 0.39 H new ATOM 0 HG3 GLU A 178 -14.905 1.986 5.927 1.00 0.39 H new ATOM 230 N ARG A 179 -12.866 2.858 7.674 1.00 0.34 N ATOM 231 CA ARG A 179 -13.008 2.657 9.110 1.00 0.40 C ATOM 232 C ARG A 179 -11.961 3.463 9.889 1.00 0.35 C ATOM 233 O ARG A 179 -12.121 3.720 11.083 1.00 0.38 O ATOM 234 CB ARG A 179 -12.866 1.162 9.426 1.00 0.48 C ATOM 235 CG ARG A 179 -12.877 0.828 10.908 1.00 0.65 C ATOM 236 CD ARG A 179 -12.545 -0.636 11.147 1.00 0.83 C ATOM 237 NE ARG A 179 -13.524 -1.529 10.533 1.00 1.03 N ATOM 238 CZ ARG A 179 -13.208 -2.544 9.730 1.00 1.80 C ATOM 239 NH1 ARG A 179 -11.944 -2.767 9.392 1.00 2.15 N ATOM 240 NH2 ARG A 179 -14.160 -3.324 9.240 1.00 2.55 N ATOM 0 H ARG A 179 -12.451 2.066 7.183 1.00 0.34 H new ATOM 0 HA ARG A 179 -13.993 3.008 9.417 1.00 0.40 H new ATOM 0 HB2 ARG A 179 -13.678 0.622 8.939 1.00 0.48 H new ATOM 0 HB3 ARG A 179 -11.935 0.798 8.991 1.00 0.48 H new ATOM 0 HG2 ARG A 179 -12.155 1.457 11.430 1.00 0.65 H new ATOM 0 HG3 ARG A 179 -13.858 1.054 11.327 1.00 0.65 H new ATOM 0 HD2 ARG A 179 -11.555 -0.853 10.745 1.00 0.83 H new ATOM 0 HD3 ARG A 179 -12.503 -0.827 12.219 1.00 0.83 H new ATOM 0 HE ARG A 179 -14.511 -1.365 10.731 1.00 1.03 H new ATOM 0 HH11 ARG A 179 -11.206 -2.159 9.748 1.00 2.15 H new ATOM 0 HH12 ARG A 179 -11.710 -3.546 8.777 1.00 2.15 H new ATOM 0 HH21 ARG A 179 -15.136 -3.148 9.477 1.00 2.55 H new ATOM 0 HH22 ARG A 179 -13.917 -4.101 8.625 1.00 2.55 H new ATOM 254 N LEU A 180 -10.910 3.898 9.209 1.00 0.30 N ATOM 255 CA LEU A 180 -9.766 4.512 9.879 1.00 0.28 C ATOM 256 C LEU A 180 -9.479 5.918 9.352 1.00 0.25 C ATOM 257 O LEU A 180 -8.727 6.671 9.969 1.00 0.24 O ATOM 258 CB LEU A 180 -8.520 3.636 9.707 1.00 0.28 C ATOM 259 CG LEU A 180 -8.639 2.205 10.242 1.00 0.33 C ATOM 260 CD1 LEU A 180 -7.337 1.446 10.030 1.00 0.35 C ATOM 261 CD2 LEU A 180 -9.013 2.215 11.716 1.00 0.38 C ATOM 0 H LEU A 180 -10.823 3.839 8.194 1.00 0.30 H new ATOM 0 HA LEU A 180 -10.017 4.595 10.936 1.00 0.28 H new ATOM 0 HB2 LEU A 180 -8.274 3.589 8.646 1.00 0.28 H new ATOM 0 HB3 LEU A 180 -7.683 4.123 10.207 1.00 0.28 H new ATOM 0 HG LEU A 180 -9.429 1.697 9.689 1.00 0.33 H new ATOM 0 HD11 LEU A 180 -7.440 0.432 10.416 1.00 0.35 H new ATOM 0 HD12 LEU A 180 -7.108 1.407 8.965 1.00 0.35 H new ATOM 0 HD13 LEU A 180 -6.530 1.954 10.557 1.00 0.35 H new ATOM 0 HD21 LEU A 180 -9.093 1.190 12.078 1.00 0.38 H new ATOM 0 HD22 LEU A 180 -8.245 2.741 12.283 1.00 0.38 H new ATOM 0 HD23 LEU A 180 -9.970 2.721 11.845 1.00 0.38 H new ATOM 273 N GLY A 181 -10.074 6.276 8.223 1.00 0.24 N ATOM 274 CA GLY A 181 -9.827 7.582 7.644 1.00 0.22 C ATOM 275 C GLY A 181 -8.719 7.549 6.608 1.00 0.18 C ATOM 276 O GLY A 181 -8.388 8.572 6.006 1.00 0.18 O ATOM 0 H GLY A 181 -10.722 5.688 7.698 1.00 0.24 H new ATOM 0 HA2 GLY A 181 -10.743 7.952 7.183 1.00 0.22 H new ATOM 0 HA3 GLY A 181 -9.562 8.284 8.435 1.00 0.22 H new ATOM 280 N ILE A 182 -8.158 6.363 6.396 1.00 0.17 N ATOM 281 CA ILE A 182 -7.033 6.183 5.483 1.00 0.16 C ATOM 282 C ILE A 182 -7.410 6.584 4.060 1.00 0.15 C ATOM 283 O ILE A 182 -8.385 6.075 3.502 1.00 0.17 O ATOM 284 CB ILE A 182 -6.550 4.714 5.479 1.00 0.17 C ATOM 285 CG1 ILE A 182 -6.171 4.274 6.895 1.00 0.20 C ATOM 286 CG2 ILE A 182 -5.368 4.543 4.532 1.00 0.19 C ATOM 287 CD1 ILE A 182 -5.797 2.811 6.996 1.00 0.22 C ATOM 0 H ILE A 182 -8.468 5.503 6.849 1.00 0.17 H new ATOM 0 HA ILE A 182 -6.228 6.827 5.837 1.00 0.16 H new ATOM 0 HB ILE A 182 -7.366 4.082 5.127 1.00 0.17 H new ATOM 0 HG12 ILE A 182 -5.334 4.879 7.242 1.00 0.20 H new ATOM 0 HG13 ILE A 182 -7.008 4.473 7.564 1.00 0.20 H new ATOM 0 HG21 ILE A 182 -5.041 3.503 4.542 1.00 0.19 H new ATOM 0 HG22 ILE A 182 -5.669 4.819 3.521 1.00 0.19 H new ATOM 0 HG23 ILE A 182 -4.548 5.184 4.855 1.00 0.19 H new ATOM 0 HD11 ILE A 182 -5.540 2.571 8.028 1.00 0.22 H new ATOM 0 HD12 ILE A 182 -6.640 2.197 6.680 1.00 0.22 H new ATOM 0 HD13 ILE A 182 -4.940 2.609 6.353 1.00 0.22 H new ATOM 299 N PRO A 183 -6.648 7.509 3.457 1.00 0.14 N ATOM 300 CA PRO A 183 -6.899 7.956 2.091 1.00 0.15 C ATOM 301 C PRO A 183 -6.487 6.917 1.056 1.00 0.14 C ATOM 302 O PRO A 183 -5.622 6.069 1.298 1.00 0.16 O ATOM 303 CB PRO A 183 -6.053 9.218 1.960 1.00 0.20 C ATOM 304 CG PRO A 183 -4.953 9.059 2.955 1.00 0.24 C ATOM 305 CD PRO A 183 -5.489 8.190 4.063 1.00 0.15 C ATOM 0 HA PRO A 183 -7.960 8.127 1.909 1.00 0.15 H new ATOM 0 HB2 PRO A 183 -5.657 9.323 0.950 1.00 0.20 H new ATOM 0 HB3 PRO A 183 -6.644 10.111 2.166 1.00 0.20 H new ATOM 0 HG2 PRO A 183 -4.078 8.601 2.494 1.00 0.24 H new ATOM 0 HG3 PRO A 183 -4.639 10.028 3.342 1.00 0.24 H new ATOM 0 HD2 PRO A 183 -4.741 7.475 4.406 1.00 0.15 H new ATOM 0 HD3 PRO A 183 -5.783 8.784 4.928 1.00 0.15 H new ATOM 313 N TYR A 184 -7.123 7.001 -0.099 1.00 0.15 N ATOM 314 CA TYR A 184 -6.913 6.062 -1.183 1.00 0.16 C ATOM 315 C TYR A 184 -5.593 6.292 -1.911 1.00 0.16 C ATOM 316 O TYR A 184 -4.958 5.347 -2.371 1.00 0.19 O ATOM 317 CB TYR A 184 -8.077 6.150 -2.163 1.00 0.17 C ATOM 318 CG TYR A 184 -8.810 4.835 -2.264 1.00 0.10 C ATOM 319 CD1 TYR A 184 -9.703 4.430 -1.278 1.00 0.30 C ATOM 320 CD2 TYR A 184 -8.583 3.979 -3.326 1.00 0.23 C ATOM 321 CE1 TYR A 184 -10.348 3.209 -1.361 1.00 0.42 C ATOM 322 CE2 TYR A 184 -9.219 2.761 -3.417 1.00 0.27 C ATOM 323 CZ TYR A 184 -10.098 2.379 -2.437 1.00 0.36 C ATOM 324 OH TYR A 184 -10.730 1.162 -2.534 1.00 0.50 O ATOM 0 H TYR A 184 -7.805 7.729 -0.311 1.00 0.15 H new ATOM 0 HA TYR A 184 -6.863 5.064 -0.749 1.00 0.16 H new ATOM 0 HB2 TYR A 184 -8.767 6.930 -1.842 1.00 0.17 H new ATOM 0 HB3 TYR A 184 -7.706 6.438 -3.147 1.00 0.17 H new ATOM 0 HD1 TYR A 184 -9.896 5.078 -0.436 1.00 0.30 H new ATOM 0 HD2 TYR A 184 -7.891 4.272 -4.102 1.00 0.23 H new ATOM 0 HE1 TYR A 184 -11.042 2.907 -0.590 1.00 0.42 H new ATOM 0 HE2 TYR A 184 -9.026 2.110 -4.257 1.00 0.27 H new ATOM 0 HH TYR A 184 -11.128 1.070 -3.425 1.00 0.50 H new ATOM 334 N ASP A 185 -5.191 7.549 -2.026 1.00 0.16 N ATOM 335 CA ASP A 185 -3.956 7.882 -2.729 1.00 0.17 C ATOM 336 C ASP A 185 -2.774 7.842 -1.765 1.00 0.14 C ATOM 337 O ASP A 185 -2.853 8.359 -0.649 1.00 0.17 O ATOM 338 CB ASP A 185 -4.062 9.264 -3.378 1.00 0.27 C ATOM 339 CG ASP A 185 -2.890 9.560 -4.292 1.00 0.33 C ATOM 340 OD1 ASP A 185 -2.914 9.120 -5.458 1.00 0.74 O ATOM 341 OD2 ASP A 185 -1.931 10.221 -3.851 1.00 0.58 O ATOM 0 H ASP A 185 -5.695 8.350 -1.646 1.00 0.16 H new ATOM 0 HA ASP A 185 -3.796 7.143 -3.514 1.00 0.17 H new ATOM 0 HB2 ASP A 185 -4.989 9.326 -3.948 1.00 0.27 H new ATOM 0 HB3 ASP A 185 -4.115 10.026 -2.600 1.00 0.27 H new ATOM 346 N PRO A 186 -1.655 7.230 -2.206 1.00 0.13 N ATOM 347 CA PRO A 186 -0.490 6.948 -1.353 1.00 0.11 C ATOM 348 C PRO A 186 0.208 8.198 -0.858 1.00 0.12 C ATOM 349 O PRO A 186 0.775 8.215 0.232 1.00 0.13 O ATOM 350 CB PRO A 186 0.458 6.191 -2.286 1.00 0.13 C ATOM 351 CG PRO A 186 0.075 6.668 -3.638 1.00 0.20 C ATOM 352 CD PRO A 186 -1.421 6.777 -3.589 1.00 0.18 C ATOM 0 HA PRO A 186 -0.790 6.405 -0.456 1.00 0.11 H new ATOM 0 HB2 PRO A 186 1.502 6.414 -2.063 1.00 0.13 H new ATOM 0 HB3 PRO A 186 0.335 5.112 -2.192 1.00 0.13 H new ATOM 0 HG2 PRO A 186 0.536 7.629 -3.865 1.00 0.20 H new ATOM 0 HG3 PRO A 186 0.397 5.970 -4.411 1.00 0.20 H new ATOM 0 HD2 PRO A 186 -1.801 7.490 -4.321 1.00 0.18 H new ATOM 0 HD3 PRO A 186 -1.906 5.822 -3.792 1.00 0.18 H new ATOM 360 N ILE A 187 0.171 9.242 -1.668 1.00 0.13 N ATOM 361 CA ILE A 187 0.963 10.422 -1.405 1.00 0.17 C ATOM 362 C ILE A 187 0.454 11.175 -0.179 1.00 0.19 C ATOM 363 O ILE A 187 1.213 11.902 0.456 1.00 0.22 O ATOM 364 CB ILE A 187 1.021 11.351 -2.647 1.00 0.25 C ATOM 365 CG1 ILE A 187 2.363 12.083 -2.700 1.00 0.42 C ATOM 366 CG2 ILE A 187 -0.124 12.357 -2.644 1.00 0.29 C ATOM 367 CD1 ILE A 187 2.591 12.852 -3.984 1.00 0.55 C ATOM 0 H ILE A 187 -0.400 9.293 -2.512 1.00 0.13 H new ATOM 0 HA ILE A 187 1.979 10.090 -1.190 1.00 0.17 H new ATOM 0 HB ILE A 187 0.918 10.727 -3.534 1.00 0.25 H new ATOM 0 HG12 ILE A 187 2.423 12.774 -1.859 1.00 0.42 H new ATOM 0 HG13 ILE A 187 3.167 11.358 -2.575 1.00 0.42 H new ATOM 0 HG21 ILE A 187 -0.053 12.992 -3.527 1.00 0.29 H new ATOM 0 HG22 ILE A 187 -1.075 11.825 -2.655 1.00 0.29 H new ATOM 0 HG23 ILE A 187 -0.063 12.975 -1.748 1.00 0.29 H new ATOM 0 HD11 ILE A 187 3.563 13.344 -3.946 1.00 0.55 H new ATOM 0 HD12 ILE A 187 2.565 12.164 -4.829 1.00 0.55 H new ATOM 0 HD13 ILE A 187 1.809 13.602 -4.102 1.00 0.55 H new ATOM 379 N HIS A 188 -0.821 10.998 0.179 1.00 0.18 N ATOM 380 CA HIS A 188 -1.371 11.695 1.336 1.00 0.20 C ATOM 381 C HIS A 188 -1.371 10.815 2.588 1.00 0.19 C ATOM 382 O HIS A 188 -1.904 11.215 3.625 1.00 0.22 O ATOM 383 CB HIS A 188 -2.801 12.176 1.064 1.00 0.25 C ATOM 384 CG HIS A 188 -2.946 13.055 -0.138 1.00 0.32 C ATOM 385 ND1 HIS A 188 -2.646 14.395 -0.094 1.00 0.39 N ATOM 386 CD2 HIS A 188 -3.379 12.739 -1.381 1.00 0.42 C ATOM 387 CE1 HIS A 188 -2.904 14.863 -1.305 1.00 0.48 C ATOM 388 NE2 HIS A 188 -3.349 13.895 -2.116 1.00 0.50 N ATOM 0 H HIS A 188 -1.478 10.389 -0.308 1.00 0.18 H new ATOM 0 HA HIS A 188 -0.725 12.555 1.514 1.00 0.20 H new ATOM 0 HB2 HIS A 188 -3.445 11.306 0.941 1.00 0.25 H new ATOM 0 HB3 HIS A 188 -3.160 12.718 1.939 1.00 0.25 H new ATOM 0 HD2 HIS A 188 -3.688 11.764 -1.727 1.00 0.42 H new ATOM 0 HE1 HIS A 188 -2.772 15.893 -1.601 1.00 0.48 H new ATOM 0 HE2 HIS A 188 -3.615 13.998 -3.095 1.00 0.50 H new ATOM 396 N TRP A 189 -0.794 9.617 2.502 1.00 0.18 N ATOM 397 CA TRP A 189 -0.780 8.712 3.655 1.00 0.19 C ATOM 398 C TRP A 189 0.038 9.304 4.798 1.00 0.20 C ATOM 399 O TRP A 189 1.009 10.027 4.580 1.00 0.20 O ATOM 400 CB TRP A 189 -0.171 7.340 3.333 1.00 0.18 C ATOM 401 CG TRP A 189 -0.966 6.439 2.443 1.00 0.15 C ATOM 402 CD1 TRP A 189 -2.317 6.406 2.277 1.00 0.18 C ATOM 403 CD2 TRP A 189 -0.430 5.391 1.623 1.00 0.12 C ATOM 404 NE1 TRP A 189 -2.656 5.417 1.382 1.00 0.15 N ATOM 405 CE2 TRP A 189 -1.513 4.779 0.969 1.00 0.12 C ATOM 406 CE3 TRP A 189 0.868 4.921 1.371 1.00 0.11 C ATOM 407 CZ2 TRP A 189 -1.339 3.719 0.080 1.00 0.12 C ATOM 408 CZ3 TRP A 189 1.040 3.868 0.489 1.00 0.12 C ATOM 409 CH2 TRP A 189 -0.058 3.279 -0.146 1.00 0.12 C ATOM 0 H TRP A 189 -0.338 9.254 1.665 1.00 0.18 H new ATOM 0 HA TRP A 189 -1.826 8.585 3.935 1.00 0.19 H new ATOM 0 HB2 TRP A 189 0.803 7.501 2.870 1.00 0.18 H new ATOM 0 HB3 TRP A 189 0.006 6.818 4.273 1.00 0.18 H new ATOM 0 HD1 TRP A 189 -3.019 7.059 2.774 1.00 0.18 H new ATOM 0 HE1 TRP A 189 -3.603 5.194 1.075 1.00 0.15 H new ATOM 0 HE3 TRP A 189 1.719 5.374 1.857 1.00 0.11 H new ATOM 0 HZ2 TRP A 189 -2.183 3.260 -0.414 1.00 0.12 H new ATOM 0 HZ3 TRP A 189 2.034 3.497 0.289 1.00 0.12 H new ATOM 0 HH2 TRP A 189 0.105 2.459 -0.830 1.00 0.12 H new ATOM 420 N SER A 190 -0.368 9.007 6.015 1.00 0.23 N ATOM 421 CA SER A 190 0.463 9.273 7.171 1.00 0.25 C ATOM 422 C SER A 190 1.226 8.005 7.513 1.00 0.25 C ATOM 423 O SER A 190 0.774 6.917 7.166 1.00 0.25 O ATOM 424 CB SER A 190 -0.395 9.733 8.353 1.00 0.29 C ATOM 425 OG SER A 190 0.404 10.080 9.470 1.00 1.18 O ATOM 0 H SER A 190 -1.269 8.581 6.230 1.00 0.23 H new ATOM 0 HA SER A 190 1.168 10.074 6.949 1.00 0.25 H new ATOM 0 HB2 SER A 190 -0.997 10.591 8.055 1.00 0.29 H new ATOM 0 HB3 SER A 190 -1.087 8.939 8.632 1.00 0.29 H new ATOM 0 HG SER A 190 -0.173 10.371 10.207 1.00 1.18 H new ATOM 431 N THR A 191 2.372 8.148 8.177 1.00 0.26 N ATOM 432 CA THR A 191 3.284 7.029 8.432 1.00 0.28 C ATOM 433 C THR A 191 2.551 5.778 8.932 1.00 0.25 C ATOM 434 O THR A 191 2.818 4.666 8.472 1.00 0.25 O ATOM 435 CB THR A 191 4.362 7.439 9.454 1.00 0.31 C ATOM 436 OG1 THR A 191 4.941 8.692 9.063 1.00 0.74 O ATOM 437 CG2 THR A 191 5.452 6.383 9.552 1.00 0.62 C ATOM 0 H THR A 191 2.696 9.039 8.553 1.00 0.26 H new ATOM 0 HA THR A 191 3.752 6.779 7.480 1.00 0.28 H new ATOM 0 HB THR A 191 3.890 7.537 10.432 1.00 0.31 H new ATOM 0 HG1 THR A 191 5.625 8.953 9.714 1.00 0.74 H new ATOM 0 HG21 THR A 191 6.199 6.698 10.280 1.00 0.62 H new ATOM 0 HG22 THR A 191 5.014 5.436 9.868 1.00 0.62 H new ATOM 0 HG23 THR A 191 5.925 6.257 8.578 1.00 0.62 H new ATOM 445 N ASP A 192 1.614 5.967 9.854 1.00 0.24 N ATOM 446 CA ASP A 192 0.829 4.855 10.386 1.00 0.24 C ATOM 447 C ASP A 192 0.038 4.181 9.272 1.00 0.23 C ATOM 448 O ASP A 192 0.122 2.978 9.090 1.00 0.25 O ATOM 449 CB ASP A 192 -0.138 5.345 11.468 1.00 0.29 C ATOM 450 CG ASP A 192 0.563 6.034 12.619 1.00 1.06 C ATOM 451 OD1 ASP A 192 0.985 7.200 12.453 1.00 1.75 O ATOM 452 OD2 ASP A 192 0.699 5.414 13.692 1.00 1.37 O ATOM 0 H ASP A 192 1.378 6.877 10.249 1.00 0.24 H new ATOM 0 HA ASP A 192 1.520 4.135 10.824 1.00 0.24 H new ATOM 0 HB2 ASP A 192 -0.855 6.034 11.022 1.00 0.29 H new ATOM 0 HB3 ASP A 192 -0.706 4.497 11.851 1.00 0.29 H new ATOM 457 N GLN A 193 -0.712 4.983 8.526 1.00 0.22 N ATOM 458 CA GLN A 193 -1.547 4.497 7.420 1.00 0.21 C ATOM 459 C GLN A 193 -0.700 3.901 6.295 1.00 0.17 C ATOM 460 O GLN A 193 -1.133 2.949 5.640 1.00 0.14 O ATOM 461 CB GLN A 193 -2.414 5.628 6.867 1.00 0.24 C ATOM 462 CG GLN A 193 -3.168 6.408 7.933 1.00 0.30 C ATOM 463 CD GLN A 193 -3.671 7.742 7.416 1.00 0.41 C ATOM 464 OE1 GLN A 193 -3.063 8.342 6.529 1.00 1.34 O ATOM 465 NE2 GLN A 193 -4.771 8.221 7.972 1.00 0.85 N ATOM 0 H GLN A 193 -0.763 5.992 8.666 1.00 0.22 H new ATOM 0 HA GLN A 193 -2.188 3.710 7.818 1.00 0.21 H new ATOM 0 HB2 GLN A 193 -1.781 6.317 6.307 1.00 0.24 H new ATOM 0 HB3 GLN A 193 -3.132 5.210 6.161 1.00 0.24 H new ATOM 0 HG2 GLN A 193 -4.012 5.815 8.286 1.00 0.30 H new ATOM 0 HG3 GLN A 193 -2.515 6.575 8.789 1.00 0.30 H new ATOM 0 HE21 GLN A 193 -5.244 7.692 8.704 1.00 0.85 H new ATOM 0 HE22 GLN A 193 -5.146 9.120 7.669 1.00 0.85 H new ATOM 474 N VAL A 194 0.484 4.439 6.081 1.00 0.16 N ATOM 475 CA VAL A 194 1.422 3.848 5.128 1.00 0.14 C ATOM 476 C VAL A 194 1.651 2.369 5.468 1.00 0.13 C ATOM 477 O VAL A 194 1.623 1.499 4.598 1.00 0.13 O ATOM 478 CB VAL A 194 2.778 4.598 5.133 1.00 0.16 C ATOM 479 CG1 VAL A 194 3.741 3.998 4.127 1.00 0.17 C ATOM 480 CG2 VAL A 194 2.582 6.074 4.842 1.00 0.17 C ATOM 0 H VAL A 194 0.825 5.280 6.548 1.00 0.16 H new ATOM 0 HA VAL A 194 0.987 3.934 4.132 1.00 0.14 H new ATOM 0 HB VAL A 194 3.207 4.490 6.129 1.00 0.16 H new ATOM 0 HG11 VAL A 194 4.683 4.545 4.154 1.00 0.17 H new ATOM 0 HG12 VAL A 194 3.922 2.952 4.375 1.00 0.17 H new ATOM 0 HG13 VAL A 194 3.311 4.064 3.128 1.00 0.17 H new ATOM 0 HG21 VAL A 194 3.548 6.578 4.851 1.00 0.17 H new ATOM 0 HG22 VAL A 194 2.120 6.193 3.862 1.00 0.17 H new ATOM 0 HG23 VAL A 194 1.937 6.512 5.603 1.00 0.17 H new ATOM 490 N LEU A 195 1.833 2.096 6.752 1.00 0.14 N ATOM 491 CA LEU A 195 2.055 0.736 7.238 1.00 0.14 C ATOM 492 C LEU A 195 0.768 0.075 7.733 1.00 0.12 C ATOM 493 O LEU A 195 0.787 -1.113 8.050 1.00 0.14 O ATOM 494 CB LEU A 195 3.147 0.691 8.305 1.00 0.16 C ATOM 495 CG LEU A 195 4.483 1.304 7.897 1.00 0.18 C ATOM 496 CD1 LEU A 195 5.399 1.414 9.104 1.00 0.23 C ATOM 497 CD2 LEU A 195 5.139 0.473 6.804 1.00 0.18 C ATOM 0 H LEU A 195 1.832 2.805 7.485 1.00 0.14 H new ATOM 0 HA LEU A 195 2.400 0.155 6.383 1.00 0.14 H new ATOM 0 HB2 LEU A 195 2.785 1.208 9.194 1.00 0.16 H new ATOM 0 HB3 LEU A 195 3.314 -0.349 8.587 1.00 0.16 H new ATOM 0 HG LEU A 195 4.302 2.305 7.504 1.00 0.18 H new ATOM 0 HD11 LEU A 195 6.350 1.853 8.801 1.00 0.23 H new ATOM 0 HD12 LEU A 195 4.932 2.046 9.859 1.00 0.23 H new ATOM 0 HD13 LEU A 195 5.574 0.422 9.520 1.00 0.23 H new ATOM 0 HD21 LEU A 195 6.091 0.925 6.525 1.00 0.18 H new ATOM 0 HD22 LEU A 195 5.311 -0.539 7.170 1.00 0.18 H new ATOM 0 HD23 LEU A 195 4.485 0.437 5.932 1.00 0.18 H new ATOM 509 N HIS A 196 -0.341 0.794 7.804 1.00 0.11 N ATOM 510 CA HIS A 196 -1.629 0.110 7.897 1.00 0.10 C ATOM 511 C HIS A 196 -1.835 -0.667 6.605 1.00 0.09 C ATOM 512 O HIS A 196 -2.205 -1.838 6.609 1.00 0.12 O ATOM 513 CB HIS A 196 -2.805 1.072 8.108 1.00 0.13 C ATOM 514 CG HIS A 196 -3.004 1.515 9.527 1.00 0.16 C ATOM 515 ND1 HIS A 196 -3.459 0.649 10.492 1.00 0.30 N ATOM 516 CD2 HIS A 196 -2.833 2.738 10.082 1.00 0.30 C ATOM 517 CE1 HIS A 196 -3.557 1.362 11.601 1.00 0.30 C ATOM 518 NE2 HIS A 196 -3.188 2.633 11.401 1.00 0.28 N ATOM 0 H HIS A 196 -0.383 1.813 7.800 1.00 0.11 H new ATOM 0 HA HIS A 196 -1.606 -0.546 8.767 1.00 0.10 H new ATOM 0 HB2 HIS A 196 -2.653 1.953 7.484 1.00 0.13 H new ATOM 0 HB3 HIS A 196 -3.719 0.590 7.761 1.00 0.13 H new ATOM 0 HD2 HIS A 196 -2.483 3.628 9.580 1.00 0.30 H new ATOM 0 HE1 HIS A 196 -3.893 0.968 12.549 1.00 0.30 H new ATOM 0 HE2 HIS A 196 -3.174 3.379 12.096 1.00 0.28 H new ATOM 526 N TRP A 197 -1.554 0.023 5.508 1.00 0.10 N ATOM 527 CA TRP A 197 -1.554 -0.572 4.175 1.00 0.09 C ATOM 528 C TRP A 197 -0.586 -1.741 4.098 1.00 0.10 C ATOM 529 O TRP A 197 -1.015 -2.863 3.861 1.00 0.13 O ATOM 530 CB TRP A 197 -1.204 0.495 3.129 1.00 0.09 C ATOM 531 CG TRP A 197 -1.148 -0.006 1.713 1.00 0.07 C ATOM 532 CD1 TRP A 197 -2.187 -0.483 0.969 1.00 0.09 C ATOM 533 CD2 TRP A 197 0.005 -0.049 0.861 1.00 0.07 C ATOM 534 NE1 TRP A 197 -1.749 -0.838 -0.283 1.00 0.08 N ATOM 535 CE2 TRP A 197 -0.410 -0.574 -0.377 1.00 0.07 C ATOM 536 CE3 TRP A 197 1.347 0.304 1.025 1.00 0.12 C ATOM 537 CZ2 TRP A 197 0.468 -0.752 -1.442 1.00 0.10 C ATOM 538 CZ3 TRP A 197 2.218 0.128 -0.035 1.00 0.16 C ATOM 539 CH2 TRP A 197 1.776 -0.395 -1.255 1.00 0.14 C ATOM 0 H TRP A 197 -1.318 1.015 5.516 1.00 0.10 H new ATOM 0 HA TRP A 197 -2.552 -0.957 3.966 1.00 0.09 H new ATOM 0 HB2 TRP A 197 -1.941 1.296 3.187 1.00 0.09 H new ATOM 0 HB3 TRP A 197 -0.238 0.931 3.384 1.00 0.09 H new ATOM 0 HD1 TRP A 197 -3.207 -0.569 1.315 1.00 0.09 H new ATOM 0 HE1 TRP A 197 -2.328 -1.234 -1.023 1.00 0.08 H new ATOM 0 HE3 TRP A 197 1.698 0.707 1.963 1.00 0.12 H new ATOM 0 HZ2 TRP A 197 0.129 -1.158 -2.384 1.00 0.10 H new ATOM 0 HZ3 TRP A 197 3.257 0.399 0.081 1.00 0.16 H new ATOM 0 HH2 TRP A 197 2.480 -0.519 -2.064 1.00 0.14 H new ATOM 550 N VAL A 198 0.700 -1.508 4.309 1.00 0.10 N ATOM 551 CA VAL A 198 1.687 -2.573 4.148 1.00 0.12 C ATOM 552 C VAL A 198 1.392 -3.793 5.039 1.00 0.13 C ATOM 553 O VAL A 198 1.560 -4.921 4.588 1.00 0.15 O ATOM 554 CB VAL A 198 3.128 -2.073 4.379 1.00 0.14 C ATOM 555 CG1 VAL A 198 4.127 -3.178 4.103 1.00 0.23 C ATOM 556 CG2 VAL A 198 3.427 -0.866 3.509 1.00 0.13 C ATOM 0 H VAL A 198 1.085 -0.605 4.588 1.00 0.10 H new ATOM 0 HA VAL A 198 1.604 -2.895 3.110 1.00 0.12 H new ATOM 0 HB VAL A 198 3.218 -1.775 5.424 1.00 0.14 H new ATOM 0 HG11 VAL A 198 5.137 -2.805 4.272 1.00 0.23 H new ATOM 0 HG12 VAL A 198 3.934 -4.018 4.770 1.00 0.23 H new ATOM 0 HG13 VAL A 198 4.029 -3.507 3.068 1.00 0.23 H new ATOM 0 HG21 VAL A 198 4.449 -0.532 3.689 1.00 0.13 H new ATOM 0 HG22 VAL A 198 3.314 -1.137 2.459 1.00 0.13 H new ATOM 0 HG23 VAL A 198 2.733 -0.061 3.753 1.00 0.13 H new ATOM 566 N VAL A 199 0.931 -3.595 6.270 1.00 0.13 N ATOM 567 CA VAL A 199 0.617 -4.732 7.144 1.00 0.14 C ATOM 568 C VAL A 199 -0.651 -5.470 6.687 1.00 0.13 C ATOM 569 O VAL A 199 -0.660 -6.696 6.568 1.00 0.15 O ATOM 570 CB VAL A 199 0.472 -4.292 8.618 1.00 0.18 C ATOM 571 CG1 VAL A 199 -0.092 -5.416 9.475 1.00 0.21 C ATOM 572 CG2 VAL A 199 1.818 -3.836 9.164 1.00 0.20 C ATOM 0 H VAL A 199 0.767 -2.677 6.684 1.00 0.13 H new ATOM 0 HA VAL A 199 1.458 -5.422 7.071 1.00 0.14 H new ATOM 0 HB VAL A 199 -0.228 -3.457 8.655 1.00 0.18 H new ATOM 0 HG11 VAL A 199 -0.183 -5.076 10.507 1.00 0.21 H new ATOM 0 HG12 VAL A 199 -1.075 -5.702 9.100 1.00 0.21 H new ATOM 0 HG13 VAL A 199 0.577 -6.276 9.433 1.00 0.21 H new ATOM 0 HG21 VAL A 199 1.704 -3.528 10.203 1.00 0.20 H new ATOM 0 HG22 VAL A 199 2.532 -4.658 9.105 1.00 0.20 H new ATOM 0 HG23 VAL A 199 2.184 -2.995 8.575 1.00 0.20 H new ATOM 582 N TRP A 200 -1.698 -4.715 6.423 1.00 0.13 N ATOM 583 CA TRP A 200 -2.960 -5.283 5.946 1.00 0.13 C ATOM 584 C TRP A 200 -2.772 -5.955 4.583 1.00 0.13 C ATOM 585 O TRP A 200 -3.211 -7.082 4.368 1.00 0.13 O ATOM 586 CB TRP A 200 -4.029 -4.185 5.861 1.00 0.14 C ATOM 587 CG TRP A 200 -5.431 -4.697 5.725 1.00 0.14 C ATOM 588 CD1 TRP A 200 -6.405 -4.665 6.677 1.00 0.15 C ATOM 589 CD2 TRP A 200 -6.016 -5.317 4.574 1.00 0.13 C ATOM 590 NE1 TRP A 200 -7.559 -5.224 6.188 1.00 0.16 N ATOM 591 CE2 TRP A 200 -7.343 -5.634 4.899 1.00 0.15 C ATOM 592 CE3 TRP A 200 -5.539 -5.633 3.302 1.00 0.13 C ATOM 593 CZ2 TRP A 200 -8.199 -6.254 3.994 1.00 0.15 C ATOM 594 CZ3 TRP A 200 -6.381 -6.247 2.407 1.00 0.14 C ATOM 595 CH2 TRP A 200 -7.700 -6.555 2.753 1.00 0.15 C ATOM 0 H TRP A 200 -1.708 -3.701 6.529 1.00 0.13 H new ATOM 0 HA TRP A 200 -3.290 -6.043 6.655 1.00 0.13 H new ATOM 0 HB2 TRP A 200 -3.967 -3.564 6.755 1.00 0.14 H new ATOM 0 HB3 TRP A 200 -3.805 -3.542 5.010 1.00 0.14 H new ATOM 0 HD1 TRP A 200 -6.286 -4.259 7.671 1.00 0.15 H new ATOM 0 HE1 TRP A 200 -8.435 -5.319 6.701 1.00 0.16 H new ATOM 0 HE3 TRP A 200 -4.522 -5.398 3.025 1.00 0.13 H new ATOM 0 HZ2 TRP A 200 -9.219 -6.489 4.259 1.00 0.15 H new ATOM 0 HZ3 TRP A 200 -6.018 -6.496 1.421 1.00 0.14 H new ATOM 0 HH2 TRP A 200 -8.338 -7.039 2.029 1.00 0.15 H new ATOM 606 N VAL A 201 -2.110 -5.283 3.678 1.00 0.14 N ATOM 607 CA VAL A 201 -1.919 -5.816 2.337 1.00 0.16 C ATOM 608 C VAL A 201 -0.882 -6.945 2.306 1.00 0.16 C ATOM 609 O VAL A 201 -0.981 -7.835 1.469 1.00 0.18 O ATOM 610 CB VAL A 201 -1.588 -4.703 1.326 1.00 0.20 C ATOM 611 CG1 VAL A 201 -1.397 -5.263 -0.076 1.00 0.26 C ATOM 612 CG2 VAL A 201 -2.695 -3.665 1.337 1.00 0.22 C ATOM 0 H VAL A 201 -1.691 -4.366 3.836 1.00 0.14 H new ATOM 0 HA VAL A 201 -2.868 -6.256 2.032 1.00 0.16 H new ATOM 0 HB VAL A 201 -0.648 -4.236 1.621 1.00 0.20 H new ATOM 0 HG11 VAL A 201 -1.165 -4.450 -0.764 1.00 0.26 H new ATOM 0 HG12 VAL A 201 -0.577 -5.981 -0.072 1.00 0.26 H new ATOM 0 HG13 VAL A 201 -2.313 -5.760 -0.397 1.00 0.26 H new ATOM 0 HG21 VAL A 201 -2.462 -2.877 0.622 1.00 0.22 H new ATOM 0 HG22 VAL A 201 -3.639 -4.136 1.062 1.00 0.22 H new ATOM 0 HG23 VAL A 201 -2.781 -3.235 2.335 1.00 0.22 H new ATOM 622 N MET A 202 0.074 -6.969 3.218 1.00 0.17 N ATOM 623 CA MET A 202 0.929 -8.154 3.304 1.00 0.20 C ATOM 624 C MET A 202 0.120 -9.331 3.870 1.00 0.19 C ATOM 625 O MET A 202 0.441 -10.489 3.641 1.00 0.22 O ATOM 626 CB MET A 202 2.200 -7.915 4.135 1.00 0.23 C ATOM 627 CG MET A 202 1.965 -7.795 5.628 1.00 0.23 C ATOM 628 SD MET A 202 3.497 -7.826 6.581 1.00 0.40 S ATOM 629 CE MET A 202 4.368 -6.437 5.864 1.00 0.56 C ATOM 0 H MET A 202 0.278 -6.223 3.883 1.00 0.17 H new ATOM 0 HA MET A 202 1.266 -8.390 2.295 1.00 0.20 H new ATOM 0 HB2 MET A 202 2.896 -8.735 3.955 1.00 0.23 H new ATOM 0 HB3 MET A 202 2.683 -7.004 3.782 1.00 0.23 H new ATOM 0 HG2 MET A 202 1.433 -6.866 5.834 1.00 0.23 H new ATOM 0 HG3 MET A 202 1.321 -8.611 5.957 1.00 0.23 H new ATOM 0 HE1 MET A 202 5.271 -6.791 5.367 1.00 0.56 H new ATOM 0 HE2 MET A 202 3.725 -5.940 5.137 1.00 0.56 H new ATOM 0 HE3 MET A 202 4.639 -5.732 6.650 1.00 0.56 H new ATOM 639 N LYS A 203 -0.945 -9.009 4.592 1.00 0.16 N ATOM 640 CA LYS A 203 -1.846 -10.008 5.173 1.00 0.18 C ATOM 641 C LYS A 203 -2.640 -10.772 4.102 1.00 0.18 C ATOM 642 O LYS A 203 -2.632 -12.002 4.102 1.00 0.20 O ATOM 643 CB LYS A 203 -2.797 -9.315 6.158 1.00 0.19 C ATOM 644 CG LYS A 203 -3.911 -10.197 6.692 1.00 0.36 C ATOM 645 CD LYS A 203 -4.641 -9.513 7.836 1.00 0.82 C ATOM 646 CE LYS A 203 -5.747 -10.385 8.400 1.00 1.61 C ATOM 647 NZ LYS A 203 -6.425 -9.734 9.552 1.00 2.35 N ATOM 0 H LYS A 203 -1.213 -8.046 4.795 1.00 0.16 H new ATOM 0 HA LYS A 203 -1.240 -10.747 5.698 1.00 0.18 H new ATOM 0 HB2 LYS A 203 -2.215 -8.938 6.999 1.00 0.19 H new ATOM 0 HB3 LYS A 203 -3.241 -8.450 5.665 1.00 0.19 H new ATOM 0 HG2 LYS A 203 -4.614 -10.426 5.892 1.00 0.36 H new ATOM 0 HG3 LYS A 203 -3.497 -11.146 7.034 1.00 0.36 H new ATOM 0 HD2 LYS A 203 -3.931 -9.270 8.627 1.00 0.82 H new ATOM 0 HD3 LYS A 203 -5.063 -8.571 7.486 1.00 0.82 H new ATOM 0 HE2 LYS A 203 -6.478 -10.597 7.619 1.00 1.61 H new ATOM 0 HE3 LYS A 203 -5.331 -11.342 8.715 1.00 1.61 H new ATOM 0 HZ1 LYS A 203 -7.175 -10.359 9.912 1.00 2.35 H new ATOM 0 HZ2 LYS A 203 -5.732 -9.555 10.307 1.00 2.35 H new ATOM 0 HZ3 LYS A 203 -6.843 -8.833 9.245 1.00 2.35 H new ATOM 661 N GLU A 204 -3.296 -10.050 3.190 1.00 0.18 N ATOM 662 CA GLU A 204 -4.200 -10.658 2.195 1.00 0.18 C ATOM 663 C GLU A 204 -3.524 -11.830 1.462 1.00 0.23 C ATOM 664 O GLU A 204 -4.024 -12.956 1.461 1.00 0.47 O ATOM 665 CB GLU A 204 -4.651 -9.595 1.178 1.00 0.23 C ATOM 666 CG GLU A 204 -6.119 -9.690 0.774 1.00 0.42 C ATOM 667 CD GLU A 204 -6.495 -11.036 0.188 1.00 0.93 C ATOM 668 OE1 GLU A 204 -6.202 -11.278 -1.002 1.00 1.72 O ATOM 669 OE2 GLU A 204 -7.085 -11.861 0.912 1.00 1.45 O ATOM 0 H GLU A 204 -3.221 -9.036 3.116 1.00 0.18 H new ATOM 0 HA GLU A 204 -5.069 -11.049 2.725 1.00 0.18 H new ATOM 0 HB2 GLU A 204 -4.466 -8.606 1.598 1.00 0.23 H new ATOM 0 HB3 GLU A 204 -4.034 -9.681 0.283 1.00 0.23 H new ATOM 0 HG2 GLU A 204 -6.742 -9.495 1.647 1.00 0.42 H new ATOM 0 HG3 GLU A 204 -6.339 -8.910 0.045 1.00 0.42 H new ATOM 676 N PHE A 205 -2.371 -11.559 0.871 1.00 0.18 N ATOM 677 CA PHE A 205 -1.644 -12.542 0.062 1.00 0.19 C ATOM 678 C PHE A 205 -0.599 -13.285 0.881 1.00 0.22 C ATOM 679 O PHE A 205 0.298 -13.921 0.322 1.00 0.25 O ATOM 680 CB PHE A 205 -0.947 -11.855 -1.112 1.00 0.19 C ATOM 681 CG PHE A 205 -1.593 -10.571 -1.526 1.00 0.18 C ATOM 682 CD1 PHE A 205 -2.665 -10.552 -2.404 1.00 0.24 C ATOM 683 CD2 PHE A 205 -1.121 -9.378 -1.028 1.00 0.21 C ATOM 684 CE1 PHE A 205 -3.251 -9.356 -2.771 1.00 0.29 C ATOM 685 CE2 PHE A 205 -1.696 -8.184 -1.389 1.00 0.25 C ATOM 686 CZ PHE A 205 -2.764 -8.168 -2.262 1.00 0.29 C ATOM 0 H PHE A 205 -1.907 -10.653 0.935 1.00 0.18 H new ATOM 0 HA PHE A 205 -2.379 -13.259 -0.304 1.00 0.19 H new ATOM 0 HB2 PHE A 205 0.091 -11.659 -0.843 1.00 0.19 H new ATOM 0 HB3 PHE A 205 -0.933 -12.535 -1.963 1.00 0.19 H new ATOM 0 HD1 PHE A 205 -3.046 -11.480 -2.805 1.00 0.24 H new ATOM 0 HD2 PHE A 205 -0.286 -9.381 -0.343 1.00 0.21 H new ATOM 0 HE1 PHE A 205 -4.088 -9.350 -3.454 1.00 0.29 H new ATOM 0 HE2 PHE A 205 -1.312 -7.257 -0.989 1.00 0.25 H new ATOM 0 HZ PHE A 205 -3.218 -7.230 -2.546 1.00 0.29 H new ATOM 696 N SER A 206 -0.726 -13.201 2.202 1.00 0.21 N ATOM 697 CA SER A 206 0.141 -13.941 3.116 1.00 0.23 C ATOM 698 C SER A 206 1.614 -13.647 2.833 1.00 0.24 C ATOM 699 O SER A 206 2.449 -14.546 2.776 1.00 0.28 O ATOM 700 CB SER A 206 -0.136 -15.445 3.027 1.00 0.26 C ATOM 701 OG SER A 206 -1.499 -15.734 3.300 1.00 1.14 O ATOM 0 H SER A 206 -1.426 -12.623 2.667 1.00 0.21 H new ATOM 0 HA SER A 206 -0.080 -13.610 4.131 1.00 0.23 H new ATOM 0 HB2 SER A 206 0.123 -15.807 2.032 1.00 0.26 H new ATOM 0 HB3 SER A 206 0.500 -15.977 3.735 1.00 0.26 H new ATOM 0 HG SER A 206 -1.648 -16.700 3.235 1.00 1.14 H new ATOM 707 N MET A 207 1.918 -12.363 2.680 1.00 0.25 N ATOM 708 CA MET A 207 3.278 -11.899 2.476 1.00 0.27 C ATOM 709 C MET A 207 3.823 -11.279 3.748 1.00 0.52 C ATOM 710 O MET A 207 4.618 -10.353 3.665 1.00 1.36 O ATOM 711 CB MET A 207 3.362 -10.832 1.384 1.00 0.32 C ATOM 712 CG MET A 207 2.684 -11.166 0.069 1.00 0.52 C ATOM 713 SD MET A 207 3.105 -9.957 -1.197 1.00 0.95 S ATOM 714 CE MET A 207 2.839 -8.428 -0.297 1.00 0.94 C ATOM 0 H MET A 207 1.224 -11.616 2.695 1.00 0.25 H new ATOM 0 HA MET A 207 3.859 -12.773 2.181 1.00 0.27 H new ATOM 0 HB2 MET A 207 2.926 -9.911 1.770 1.00 0.32 H new ATOM 0 HB3 MET A 207 4.414 -10.627 1.185 1.00 0.32 H new ATOM 0 HG2 MET A 207 2.986 -12.161 -0.258 1.00 0.52 H new ATOM 0 HG3 MET A 207 1.603 -11.191 0.209 1.00 0.52 H new ATOM 0 HE1 MET A 207 3.006 -7.581 -0.962 1.00 0.94 H new ATOM 0 HE2 MET A 207 1.816 -8.399 0.077 1.00 0.94 H new ATOM 0 HE3 MET A 207 3.533 -8.374 0.542 1.00 0.94 H new ATOM 724 N THR A 208 3.341 -11.713 4.912 1.00 0.86 N ATOM 725 CA THR A 208 3.829 -11.192 6.193 1.00 1.02 C ATOM 726 C THR A 208 5.335 -11.472 6.381 1.00 1.04 C ATOM 727 O THR A 208 5.754 -12.290 7.203 1.00 1.71 O ATOM 728 CB THR A 208 2.993 -11.752 7.373 1.00 1.53 C ATOM 729 OG1 THR A 208 3.475 -11.239 8.622 1.00 2.11 O ATOM 730 CG2 THR A 208 2.998 -13.278 7.394 1.00 1.72 C ATOM 0 H THR A 208 2.614 -12.423 4.997 1.00 0.86 H new ATOM 0 HA THR A 208 3.704 -10.109 6.182 1.00 1.02 H new ATOM 0 HB THR A 208 1.964 -11.423 7.228 1.00 1.53 H new ATOM 0 HG1 THR A 208 2.935 -11.602 9.355 1.00 2.11 H new ATOM 0 HG21 THR A 208 2.402 -13.632 8.235 1.00 1.72 H new ATOM 0 HG22 THR A 208 2.574 -13.656 6.464 1.00 1.72 H new ATOM 0 HG23 THR A 208 4.022 -13.637 7.498 1.00 1.72 H new ATOM 738 N ASP A 209 6.131 -10.767 5.586 1.00 0.83 N ATOM 739 CA ASP A 209 7.575 -10.934 5.534 1.00 0.85 C ATOM 740 C ASP A 209 8.187 -9.836 4.645 1.00 0.70 C ATOM 741 O ASP A 209 9.239 -10.016 4.029 1.00 1.04 O ATOM 742 CB ASP A 209 7.897 -12.336 4.989 1.00 1.19 C ATOM 743 CG ASP A 209 9.380 -12.647 4.918 1.00 1.50 C ATOM 744 OD1 ASP A 209 10.024 -12.775 5.980 1.00 1.94 O ATOM 745 OD2 ASP A 209 9.902 -12.785 3.792 1.00 1.88 O ATOM 0 H ASP A 209 5.783 -10.051 4.949 1.00 0.83 H new ATOM 0 HA ASP A 209 8.005 -10.841 6.531 1.00 0.85 H new ATOM 0 HB2 ASP A 209 7.410 -13.080 5.620 1.00 1.19 H new ATOM 0 HB3 ASP A 209 7.468 -12.434 3.992 1.00 1.19 H new ATOM 750 N ILE A 210 7.515 -8.687 4.564 1.00 0.53 N ATOM 751 CA ILE A 210 8.028 -7.571 3.773 1.00 0.40 C ATOM 752 C ILE A 210 8.587 -6.510 4.718 1.00 0.36 C ATOM 753 O ILE A 210 8.162 -6.411 5.869 1.00 0.47 O ATOM 754 CB ILE A 210 6.963 -6.939 2.812 1.00 0.34 C ATOM 755 CG1 ILE A 210 6.463 -5.593 3.327 1.00 0.44 C ATOM 756 CG2 ILE A 210 5.776 -7.863 2.582 1.00 0.42 C ATOM 757 CD1 ILE A 210 6.812 -4.447 2.410 1.00 0.65 C ATOM 0 H ILE A 210 6.626 -8.507 5.030 1.00 0.53 H new ATOM 0 HA ILE A 210 8.812 -7.965 3.127 1.00 0.40 H new ATOM 0 HB ILE A 210 7.473 -6.787 1.861 1.00 0.34 H new ATOM 0 HG12 ILE A 210 5.381 -5.636 3.451 1.00 0.44 H new ATOM 0 HG13 ILE A 210 6.889 -5.406 4.313 1.00 0.44 H new ATOM 0 HG21 ILE A 210 5.065 -7.382 1.910 1.00 0.42 H new ATOM 0 HG22 ILE A 210 6.122 -8.796 2.137 1.00 0.42 H new ATOM 0 HG23 ILE A 210 5.289 -8.074 3.534 1.00 0.42 H new ATOM 0 HD11 ILE A 210 6.430 -3.516 2.829 1.00 0.65 H new ATOM 0 HD12 ILE A 210 7.895 -4.381 2.306 1.00 0.65 H new ATOM 0 HD13 ILE A 210 6.363 -4.615 1.431 1.00 0.65 H new ATOM 769 N ASP A 211 9.546 -5.738 4.232 1.00 0.28 N ATOM 770 CA ASP A 211 10.249 -4.762 5.051 1.00 0.28 C ATOM 771 C ASP A 211 9.366 -3.578 5.427 1.00 0.27 C ATOM 772 O ASP A 211 9.123 -2.685 4.614 1.00 0.33 O ATOM 773 CB ASP A 211 11.489 -4.268 4.312 1.00 0.34 C ATOM 774 CG ASP A 211 12.529 -5.353 4.146 1.00 0.65 C ATOM 775 OD1 ASP A 211 12.385 -6.182 3.222 1.00 0.91 O ATOM 776 OD2 ASP A 211 13.492 -5.388 4.941 1.00 0.88 O ATOM 0 H ASP A 211 9.859 -5.770 3.262 1.00 0.28 H new ATOM 0 HA ASP A 211 10.538 -5.259 5.977 1.00 0.28 H new ATOM 0 HB2 ASP A 211 11.199 -3.893 3.331 1.00 0.34 H new ATOM 0 HB3 ASP A 211 11.925 -3.431 4.857 1.00 0.34 H new ATOM 781 N LEU A 212 8.904 -3.576 6.671 1.00 0.30 N ATOM 782 CA LEU A 212 8.109 -2.478 7.202 1.00 0.36 C ATOM 783 C LEU A 212 9.009 -1.319 7.611 1.00 0.42 C ATOM 784 O LEU A 212 8.652 -0.152 7.451 1.00 0.56 O ATOM 785 CB LEU A 212 7.305 -2.947 8.419 1.00 0.43 C ATOM 786 CG LEU A 212 6.181 -3.939 8.122 1.00 0.48 C ATOM 787 CD1 LEU A 212 5.659 -4.556 9.409 1.00 0.56 C ATOM 788 CD2 LEU A 212 5.052 -3.244 7.382 1.00 0.52 C ATOM 0 H LEU A 212 9.069 -4.331 7.336 1.00 0.30 H new ATOM 0 HA LEU A 212 7.425 -2.143 6.422 1.00 0.36 H new ATOM 0 HB2 LEU A 212 7.991 -3.405 9.132 1.00 0.43 H new ATOM 0 HB3 LEU A 212 6.875 -2.073 8.907 1.00 0.43 H new ATOM 0 HG LEU A 212 6.580 -4.735 7.493 1.00 0.48 H new ATOM 0 HD11 LEU A 212 4.859 -5.259 9.177 1.00 0.56 H new ATOM 0 HD12 LEU A 212 6.469 -5.081 9.915 1.00 0.56 H new ATOM 0 HD13 LEU A 212 5.274 -3.770 10.059 1.00 0.56 H new ATOM 0 HD21 LEU A 212 4.257 -3.960 7.176 1.00 0.52 H new ATOM 0 HD22 LEU A 212 4.660 -2.433 7.996 1.00 0.52 H new ATOM 0 HD23 LEU A 212 5.428 -2.839 6.443 1.00 0.52 H new ATOM 800 N THR A 213 10.185 -1.657 8.123 1.00 0.44 N ATOM 801 CA THR A 213 11.119 -0.673 8.654 1.00 0.51 C ATOM 802 C THR A 213 11.582 0.328 7.593 1.00 0.46 C ATOM 803 O THR A 213 11.801 1.502 7.892 1.00 0.52 O ATOM 804 CB THR A 213 12.336 -1.374 9.283 1.00 0.71 C ATOM 805 OG1 THR A 213 12.453 -2.705 8.755 1.00 1.56 O ATOM 806 CG2 THR A 213 12.209 -1.437 10.796 1.00 1.34 C ATOM 0 H THR A 213 10.518 -2.619 8.182 1.00 0.44 H new ATOM 0 HA THR A 213 10.585 -0.110 9.420 1.00 0.51 H new ATOM 0 HB THR A 213 13.228 -0.798 9.036 1.00 0.71 H new ATOM 0 HG1 THR A 213 13.230 -3.149 9.156 1.00 1.56 H new ATOM 0 HG21 THR A 213 13.083 -1.937 11.214 1.00 1.34 H new ATOM 0 HG22 THR A 213 12.143 -0.426 11.198 1.00 1.34 H new ATOM 0 HG23 THR A 213 11.310 -1.993 11.063 1.00 1.34 H new ATOM 814 N THR A 214 11.714 -0.130 6.356 1.00 0.45 N ATOM 815 CA THR A 214 12.151 0.731 5.268 1.00 0.47 C ATOM 816 C THR A 214 11.022 1.614 4.759 1.00 0.42 C ATOM 817 O THR A 214 11.263 2.627 4.103 1.00 0.60 O ATOM 818 CB THR A 214 12.692 -0.099 4.101 1.00 0.57 C ATOM 819 OG1 THR A 214 12.049 -1.374 4.088 1.00 1.18 O ATOM 820 CG2 THR A 214 14.196 -0.272 4.206 1.00 0.40 C ATOM 0 H THR A 214 11.524 -1.094 6.082 1.00 0.45 H new ATOM 0 HA THR A 214 12.942 1.366 5.668 1.00 0.47 H new ATOM 0 HB THR A 214 12.480 0.427 3.170 1.00 0.57 H new ATOM 0 HG1 THR A 214 12.393 -1.906 3.340 1.00 1.18 H new ATOM 0 HG21 THR A 214 14.554 -0.865 3.364 1.00 0.40 H new ATOM 0 HG22 THR A 214 14.677 0.706 4.191 1.00 0.40 H new ATOM 0 HG23 THR A 214 14.439 -0.781 5.138 1.00 0.40 H new ATOM 828 N LEU A 215 9.795 1.228 5.062 1.00 0.30 N ATOM 829 CA LEU A 215 8.634 1.982 4.620 1.00 0.27 C ATOM 830 C LEU A 215 8.039 2.756 5.783 1.00 0.25 C ATOM 831 O LEU A 215 6.895 3.205 5.728 1.00 0.29 O ATOM 832 CB LEU A 215 7.586 1.051 4.004 1.00 0.25 C ATOM 833 CG LEU A 215 8.062 0.241 2.802 1.00 0.23 C ATOM 834 CD1 LEU A 215 6.933 -0.630 2.283 1.00 0.25 C ATOM 835 CD2 LEU A 215 8.584 1.158 1.708 1.00 0.24 C ATOM 0 H LEU A 215 9.576 0.397 5.612 1.00 0.30 H new ATOM 0 HA LEU A 215 8.952 2.690 3.854 1.00 0.27 H new ATOM 0 HB2 LEU A 215 7.240 0.360 4.773 1.00 0.25 H new ATOM 0 HB3 LEU A 215 6.726 1.648 3.702 1.00 0.25 H new ATOM 0 HG LEU A 215 8.882 -0.404 3.117 1.00 0.23 H new ATOM 0 HD11 LEU A 215 7.282 -1.205 1.425 1.00 0.25 H new ATOM 0 HD12 LEU A 215 6.609 -1.312 3.069 1.00 0.25 H new ATOM 0 HD13 LEU A 215 6.096 0.000 1.982 1.00 0.25 H new ATOM 0 HD21 LEU A 215 8.918 0.560 0.860 1.00 0.24 H new ATOM 0 HD22 LEU A 215 7.789 1.830 1.386 1.00 0.24 H new ATOM 0 HD23 LEU A 215 9.420 1.743 2.092 1.00 0.24 H new ATOM 847 N ASN A 216 8.829 2.911 6.837 1.00 0.24 N ATOM 848 CA ASN A 216 8.414 3.686 7.999 1.00 0.26 C ATOM 849 C ASN A 216 8.595 5.172 7.704 1.00 0.22 C ATOM 850 O ASN A 216 9.389 5.868 8.336 1.00 0.29 O ATOM 851 CB ASN A 216 9.221 3.266 9.237 1.00 0.34 C ATOM 852 CG ASN A 216 8.669 3.831 10.537 1.00 0.69 C ATOM 853 OD1 ASN A 216 9.066 4.906 10.982 1.00 1.34 O ATOM 854 ND2 ASN A 216 7.763 3.095 11.168 1.00 0.64 N ATOM 0 H ASN A 216 9.764 2.509 6.911 1.00 0.24 H new ATOM 0 HA ASN A 216 7.362 3.495 8.209 1.00 0.26 H new ATOM 0 HB2 ASN A 216 9.236 2.178 9.300 1.00 0.34 H new ATOM 0 HB3 ASN A 216 10.254 3.593 9.117 1.00 0.34 H new ATOM 0 HD21 ASN A 216 7.372 3.416 12.053 1.00 0.64 H new ATOM 0 HD22 ASN A 216 7.458 2.208 10.768 1.00 0.64 H new ATOM 861 N ILE A 217 7.865 5.635 6.704 1.00 0.19 N ATOM 862 CA ILE A 217 7.923 7.013 6.252 1.00 0.19 C ATOM 863 C ILE A 217 6.512 7.508 5.970 1.00 0.18 C ATOM 864 O ILE A 217 5.557 6.738 6.064 1.00 0.19 O ATOM 865 CB ILE A 217 8.784 7.157 4.973 1.00 0.20 C ATOM 866 CG1 ILE A 217 8.365 6.112 3.928 1.00 0.27 C ATOM 867 CG2 ILE A 217 10.268 7.028 5.302 1.00 0.32 C ATOM 868 CD1 ILE A 217 9.111 6.223 2.617 1.00 0.89 C ATOM 0 H ILE A 217 7.209 5.058 6.178 1.00 0.19 H new ATOM 0 HA ILE A 217 8.385 7.610 7.038 1.00 0.19 H new ATOM 0 HB ILE A 217 8.617 8.150 4.555 1.00 0.20 H new ATOM 0 HG12 ILE A 217 8.523 5.116 4.341 1.00 0.27 H new ATOM 0 HG13 ILE A 217 7.297 6.212 3.736 1.00 0.27 H new ATOM 0 HG21 ILE A 217 10.854 7.132 4.389 1.00 0.32 H new ATOM 0 HG22 ILE A 217 10.554 7.808 6.007 1.00 0.32 H new ATOM 0 HG23 ILE A 217 10.459 6.051 5.746 1.00 0.32 H new ATOM 0 HD11 ILE A 217 8.759 5.452 1.932 1.00 0.89 H new ATOM 0 HD12 ILE A 217 8.934 7.205 2.179 1.00 0.89 H new ATOM 0 HD13 ILE A 217 10.179 6.092 2.794 1.00 0.89 H new ATOM 880 N SER A 218 6.370 8.777 5.624 1.00 0.19 N ATOM 881 CA SER A 218 5.053 9.324 5.349 1.00 0.20 C ATOM 882 C SER A 218 4.679 9.136 3.879 1.00 0.20 C ATOM 883 O SER A 218 5.522 8.750 3.064 1.00 0.21 O ATOM 884 CB SER A 218 4.983 10.796 5.756 1.00 0.23 C ATOM 885 OG SER A 218 5.308 10.954 7.128 1.00 1.10 O ATOM 0 H SER A 218 7.140 9.440 5.528 1.00 0.19 H new ATOM 0 HA SER A 218 4.325 8.777 5.947 1.00 0.20 H new ATOM 0 HB2 SER A 218 5.671 11.380 5.145 1.00 0.23 H new ATOM 0 HB3 SER A 218 3.982 11.183 5.568 1.00 0.23 H new ATOM 0 HG SER A 218 5.139 10.114 7.603 1.00 1.10 H new ATOM 891 N GLY A 219 3.424 9.407 3.544 1.00 0.21 N ATOM 892 CA GLY A 219 2.921 9.123 2.212 1.00 0.23 C ATOM 893 C GLY A 219 3.689 9.827 1.115 1.00 0.22 C ATOM 894 O GLY A 219 4.016 9.216 0.092 1.00 0.22 O ATOM 0 H GLY A 219 2.740 9.822 4.176 1.00 0.21 H new ATOM 0 HA2 GLY A 219 2.960 8.047 2.039 1.00 0.23 H new ATOM 0 HA3 GLY A 219 1.873 9.417 2.157 1.00 0.23 H new ATOM 898 N ARG A 220 3.996 11.103 1.324 1.00 0.24 N ATOM 899 CA ARG A 220 4.694 11.887 0.312 1.00 0.25 C ATOM 900 C ARG A 220 6.061 11.285 0.023 1.00 0.25 C ATOM 901 O ARG A 220 6.563 11.378 -1.091 1.00 0.32 O ATOM 902 CB ARG A 220 4.853 13.341 0.757 1.00 0.26 C ATOM 903 CG ARG A 220 4.474 14.344 -0.315 1.00 1.23 C ATOM 904 CD ARG A 220 2.967 14.426 -0.481 1.00 2.30 C ATOM 905 NE ARG A 220 2.333 15.132 0.635 1.00 3.08 N ATOM 906 CZ ARG A 220 1.015 15.249 0.794 1.00 4.20 C ATOM 907 NH1 ARG A 220 0.187 14.687 -0.072 1.00 4.78 N ATOM 908 NH2 ARG A 220 0.527 15.949 1.810 1.00 5.01 N ATOM 0 H ARG A 220 3.774 11.613 2.179 1.00 0.24 H new ATOM 0 HA ARG A 220 4.094 11.867 -0.598 1.00 0.25 H new ATOM 0 HB2 ARG A 220 4.236 13.513 1.639 1.00 0.26 H new ATOM 0 HB3 ARG A 220 5.888 13.511 1.054 1.00 0.26 H new ATOM 0 HG2 ARG A 220 4.868 15.326 -0.054 1.00 1.23 H new ATOM 0 HG3 ARG A 220 4.932 14.059 -1.262 1.00 1.23 H new ATOM 0 HD2 ARG A 220 2.732 14.937 -1.415 1.00 2.30 H new ATOM 0 HD3 ARG A 220 2.555 13.420 -0.556 1.00 2.30 H new ATOM 0 HE ARG A 220 2.939 15.561 1.335 1.00 3.08 H new ATOM 0 HH11 ARG A 220 0.557 14.162 -0.864 1.00 4.78 H new ATOM 0 HH12 ARG A 220 -0.821 14.779 0.053 1.00 4.78 H new ATOM 0 HH21 ARG A 220 1.161 16.399 2.471 1.00 5.01 H new ATOM 0 HH22 ARG A 220 -0.482 16.038 1.930 1.00 5.01 H new ATOM 922 N GLU A 221 6.642 10.644 1.023 1.00 0.24 N ATOM 923 CA GLU A 221 7.928 9.985 0.867 1.00 0.27 C ATOM 924 C GLU A 221 7.740 8.654 0.147 1.00 0.23 C ATOM 925 O GLU A 221 8.468 8.341 -0.794 1.00 0.23 O ATOM 926 CB GLU A 221 8.573 9.749 2.237 1.00 0.34 C ATOM 927 CG GLU A 221 8.495 10.944 3.172 1.00 0.84 C ATOM 928 CD GLU A 221 9.007 12.217 2.539 1.00 1.60 C ATOM 929 OE1 GLU A 221 10.240 12.372 2.421 1.00 2.07 O ATOM 930 OE2 GLU A 221 8.178 13.066 2.156 1.00 2.45 O ATOM 0 H GLU A 221 6.240 10.566 1.957 1.00 0.24 H new ATOM 0 HA GLU A 221 8.583 10.625 0.276 1.00 0.27 H new ATOM 0 HB2 GLU A 221 8.089 8.896 2.713 1.00 0.34 H new ATOM 0 HB3 GLU A 221 9.620 9.481 2.093 1.00 0.34 H new ATOM 0 HG2 GLU A 221 7.461 11.089 3.483 1.00 0.84 H new ATOM 0 HG3 GLU A 221 9.072 10.734 4.072 1.00 0.84 H new ATOM 937 N LEU A 222 6.753 7.888 0.600 1.00 0.21 N ATOM 938 CA LEU A 222 6.424 6.586 0.021 1.00 0.20 C ATOM 939 C LEU A 222 6.169 6.701 -1.482 1.00 0.18 C ATOM 940 O LEU A 222 6.789 6.001 -2.279 1.00 0.20 O ATOM 941 CB LEU A 222 5.187 6.016 0.737 1.00 0.21 C ATOM 942 CG LEU A 222 4.850 4.535 0.482 1.00 0.21 C ATOM 943 CD1 LEU A 222 4.210 4.327 -0.884 1.00 0.19 C ATOM 944 CD2 LEU A 222 6.095 3.671 0.621 1.00 0.26 C ATOM 0 H LEU A 222 6.155 8.152 1.383 1.00 0.21 H new ATOM 0 HA LEU A 222 7.269 5.912 0.159 1.00 0.20 H new ATOM 0 HB2 LEU A 222 5.324 6.152 1.810 1.00 0.21 H new ATOM 0 HB3 LEU A 222 4.323 6.614 0.448 1.00 0.21 H new ATOM 0 HG LEU A 222 4.124 4.232 1.236 1.00 0.21 H new ATOM 0 HD11 LEU A 222 3.988 3.269 -1.024 1.00 0.19 H new ATOM 0 HD12 LEU A 222 3.287 4.903 -0.945 1.00 0.19 H new ATOM 0 HD13 LEU A 222 4.897 4.660 -1.662 1.00 0.19 H new ATOM 0 HD21 LEU A 222 5.837 2.628 0.437 1.00 0.26 H new ATOM 0 HD22 LEU A 222 6.844 3.992 -0.103 1.00 0.26 H new ATOM 0 HD23 LEU A 222 6.498 3.773 1.629 1.00 0.26 H new ATOM 956 N CYS A 223 5.268 7.591 -1.863 1.00 0.18 N ATOM 957 CA CYS A 223 4.839 7.688 -3.252 1.00 0.18 C ATOM 958 C CYS A 223 5.929 8.282 -4.144 1.00 0.18 C ATOM 959 O CYS A 223 5.888 8.147 -5.366 1.00 0.21 O ATOM 960 CB CYS A 223 3.562 8.527 -3.335 1.00 0.21 C ATOM 961 SG CYS A 223 2.845 8.654 -4.990 1.00 0.71 S ATOM 0 H CYS A 223 4.819 8.256 -1.233 1.00 0.18 H new ATOM 0 HA CYS A 223 4.639 6.681 -3.617 1.00 0.18 H new ATOM 0 HB2 CYS A 223 2.818 8.098 -2.664 1.00 0.21 H new ATOM 0 HB3 CYS A 223 3.779 9.531 -2.970 1.00 0.21 H new ATOM 0 HG CYS A 223 3.780 8.504 -5.881 1.00 0.71 H new ATOM 967 N SER A 224 6.909 8.934 -3.537 1.00 0.17 N ATOM 968 CA SER A 224 7.950 9.603 -4.299 1.00 0.21 C ATOM 969 C SER A 224 9.116 8.688 -4.666 1.00 0.17 C ATOM 970 O SER A 224 9.951 9.067 -5.490 1.00 0.19 O ATOM 971 CB SER A 224 8.464 10.812 -3.526 1.00 0.30 C ATOM 972 OG SER A 224 7.475 11.825 -3.457 1.00 1.10 O ATOM 0 H SER A 224 7.005 9.014 -2.525 1.00 0.17 H new ATOM 0 HA SER A 224 7.494 9.919 -5.237 1.00 0.21 H new ATOM 0 HB2 SER A 224 8.752 10.510 -2.519 1.00 0.30 H new ATOM 0 HB3 SER A 224 9.359 11.204 -4.009 1.00 0.30 H new ATOM 0 HG SER A 224 7.067 11.824 -2.566 1.00 1.10 H new ATOM 978 N LEU A 225 9.187 7.490 -4.105 1.00 0.17 N ATOM 979 CA LEU A 225 10.288 6.600 -4.438 1.00 0.18 C ATOM 980 C LEU A 225 9.870 5.664 -5.565 1.00 0.19 C ATOM 981 O LEU A 225 8.751 5.147 -5.572 1.00 0.19 O ATOM 982 CB LEU A 225 10.773 5.823 -3.199 1.00 0.19 C ATOM 983 CG LEU A 225 9.728 4.978 -2.463 1.00 0.16 C ATOM 984 CD1 LEU A 225 9.936 3.496 -2.744 1.00 0.39 C ATOM 985 CD2 LEU A 225 9.797 5.248 -0.967 1.00 0.27 C ATOM 0 H LEU A 225 8.514 7.119 -3.434 1.00 0.17 H new ATOM 0 HA LEU A 225 11.132 7.197 -4.784 1.00 0.18 H new ATOM 0 HB2 LEU A 225 11.586 5.166 -3.507 1.00 0.19 H new ATOM 0 HB3 LEU A 225 11.192 6.538 -2.491 1.00 0.19 H new ATOM 0 HG LEU A 225 8.739 5.258 -2.827 1.00 0.16 H new ATOM 0 HD11 LEU A 225 9.183 2.915 -2.211 1.00 0.39 H new ATOM 0 HD12 LEU A 225 9.845 3.312 -3.815 1.00 0.39 H new ATOM 0 HD13 LEU A 225 10.929 3.198 -2.408 1.00 0.39 H new ATOM 0 HD21 LEU A 225 9.050 4.643 -0.453 1.00 0.27 H new ATOM 0 HD22 LEU A 225 10.790 4.992 -0.596 1.00 0.27 H new ATOM 0 HD23 LEU A 225 9.601 6.303 -0.778 1.00 0.27 H new ATOM 997 N ASN A 226 10.758 5.474 -6.534 1.00 0.22 N ATOM 998 CA ASN A 226 10.491 4.595 -7.667 1.00 0.25 C ATOM 999 C ASN A 226 10.460 3.159 -7.196 1.00 0.21 C ATOM 1000 O ASN A 226 10.984 2.851 -6.122 1.00 0.23 O ATOM 1001 CB ASN A 226 11.588 4.735 -8.729 1.00 0.40 C ATOM 1002 CG ASN A 226 11.611 6.099 -9.387 1.00 1.04 C ATOM 1003 OD1 ASN A 226 10.574 6.733 -9.570 1.00 2.01 O ATOM 1004 ND2 ASN A 226 12.799 6.562 -9.746 1.00 1.31 N ATOM 0 H ASN A 226 11.675 5.920 -6.557 1.00 0.22 H new ATOM 0 HA ASN A 226 9.531 4.875 -8.100 1.00 0.25 H new ATOM 0 HB2 ASN A 226 12.557 4.545 -8.268 1.00 0.40 H new ATOM 0 HB3 ASN A 226 11.444 3.972 -9.494 1.00 0.40 H new ATOM 0 HD21 ASN A 226 12.877 7.476 -10.192 1.00 1.31 H new ATOM 0 HD22 ASN A 226 13.636 6.005 -9.576 1.00 1.31 H new ATOM 1011 N GLN A 227 9.838 2.269 -7.984 1.00 0.20 N ATOM 1012 CA GLN A 227 9.771 0.851 -7.654 1.00 0.19 C ATOM 1013 C GLN A 227 11.145 0.312 -7.255 1.00 0.18 C ATOM 1014 O GLN A 227 11.270 -0.583 -6.428 1.00 0.19 O ATOM 1015 CB GLN A 227 9.243 0.061 -8.847 1.00 0.22 C ATOM 1016 CG GLN A 227 8.805 -1.345 -8.479 1.00 0.29 C ATOM 1017 CD GLN A 227 7.602 -1.365 -7.554 1.00 0.52 C ATOM 1018 OE1 GLN A 227 7.460 -2.266 -6.734 1.00 1.30 O ATOM 1019 NE2 GLN A 227 6.718 -0.383 -7.682 1.00 1.13 N ATOM 0 H GLN A 227 9.374 2.516 -8.858 1.00 0.20 H new ATOM 0 HA GLN A 227 9.094 0.735 -6.808 1.00 0.19 H new ATOM 0 HB2 GLN A 227 8.400 0.595 -9.286 1.00 0.22 H new ATOM 0 HB3 GLN A 227 10.018 0.006 -9.611 1.00 0.22 H new ATOM 0 HG2 GLN A 227 8.567 -1.896 -9.389 1.00 0.29 H new ATOM 0 HG3 GLN A 227 9.634 -1.865 -8.000 1.00 0.29 H new ATOM 0 HE21 GLN A 227 6.867 0.351 -8.375 1.00 1.13 H new ATOM 0 HE22 GLN A 227 5.889 -0.362 -7.088 1.00 1.13 H new ATOM 1028 N GLU A 228 12.175 0.921 -7.850 1.00 0.20 N ATOM 1029 CA GLU A 228 13.567 0.537 -7.659 1.00 0.23 C ATOM 1030 C GLU A 228 14.004 0.802 -6.229 1.00 0.18 C ATOM 1031 O GLU A 228 14.528 -0.089 -5.566 1.00 0.19 O ATOM 1032 CB GLU A 228 14.426 1.353 -8.627 1.00 0.34 C ATOM 1033 CG GLU A 228 15.922 1.131 -8.488 1.00 1.14 C ATOM 1034 CD GLU A 228 16.716 1.980 -9.459 1.00 1.66 C ATOM 1035 OE1 GLU A 228 17.031 3.143 -9.126 1.00 2.29 O ATOM 1036 OE2 GLU A 228 17.021 1.491 -10.564 1.00 1.83 O ATOM 0 H GLU A 228 12.057 1.708 -8.488 1.00 0.20 H new ATOM 0 HA GLU A 228 13.684 -0.529 -7.854 1.00 0.23 H new ATOM 0 HB2 GLU A 228 14.130 1.111 -9.648 1.00 0.34 H new ATOM 0 HB3 GLU A 228 14.214 2.411 -8.476 1.00 0.34 H new ATOM 0 HG2 GLU A 228 16.229 1.363 -7.468 1.00 1.14 H new ATOM 0 HG3 GLU A 228 16.149 0.079 -8.657 1.00 1.14 H new ATOM 1043 N ASP A 229 13.769 2.015 -5.755 1.00 0.18 N ATOM 1044 CA ASP A 229 14.113 2.341 -4.374 1.00 0.20 C ATOM 1045 C ASP A 229 13.369 1.440 -3.402 1.00 0.19 C ATOM 1046 O ASP A 229 13.882 1.110 -2.336 1.00 0.22 O ATOM 1047 CB ASP A 229 13.843 3.810 -4.054 1.00 0.25 C ATOM 1048 CG ASP A 229 14.343 4.193 -2.673 1.00 0.37 C ATOM 1049 OD1 ASP A 229 15.554 4.065 -2.414 1.00 0.71 O ATOM 1050 OD2 ASP A 229 13.521 4.619 -1.833 1.00 0.54 O ATOM 0 H ASP A 229 13.351 2.777 -6.289 1.00 0.18 H new ATOM 0 HA ASP A 229 15.183 2.168 -4.259 1.00 0.20 H new ATOM 0 HB2 ASP A 229 14.327 4.439 -4.802 1.00 0.25 H new ATOM 0 HB3 ASP A 229 12.772 4.004 -4.119 1.00 0.25 H new ATOM 1055 N PHE A 230 12.177 0.999 -3.785 1.00 0.17 N ATOM 1056 CA PHE A 230 11.442 0.064 -2.950 1.00 0.17 C ATOM 1057 C PHE A 230 12.081 -1.309 -3.056 1.00 0.18 C ATOM 1058 O PHE A 230 12.348 -1.948 -2.052 1.00 0.21 O ATOM 1059 CB PHE A 230 9.971 -0.030 -3.350 1.00 0.17 C ATOM 1060 CG PHE A 230 9.203 -1.081 -2.584 1.00 0.17 C ATOM 1061 CD1 PHE A 230 8.588 -0.777 -1.379 1.00 0.19 C ATOM 1062 CD2 PHE A 230 9.075 -2.371 -3.081 1.00 0.19 C ATOM 1063 CE1 PHE A 230 7.862 -1.733 -0.693 1.00 0.23 C ATOM 1064 CE2 PHE A 230 8.357 -3.326 -2.395 1.00 0.21 C ATOM 1065 CZ PHE A 230 7.746 -3.008 -1.200 1.00 0.22 C ATOM 0 H PHE A 230 11.708 1.268 -4.650 1.00 0.17 H new ATOM 0 HA PHE A 230 11.483 0.429 -1.924 1.00 0.17 H new ATOM 0 HB2 PHE A 230 9.498 0.940 -3.194 1.00 0.17 H new ATOM 0 HB3 PHE A 230 9.906 -0.249 -4.416 1.00 0.17 H new ATOM 0 HD1 PHE A 230 8.677 0.219 -0.971 1.00 0.19 H new ATOM 0 HD2 PHE A 230 9.545 -2.629 -4.018 1.00 0.19 H new ATOM 0 HE1 PHE A 230 7.385 -1.479 0.242 1.00 0.23 H new ATOM 0 HE2 PHE A 230 8.272 -4.326 -2.794 1.00 0.21 H new ATOM 0 HZ PHE A 230 7.179 -3.755 -0.665 1.00 0.22 H new ATOM 1075 N PHE A 231 12.364 -1.734 -4.287 1.00 0.17 N ATOM 1076 CA PHE A 231 12.819 -3.094 -4.549 1.00 0.20 C ATOM 1077 C PHE A 231 14.245 -3.303 -4.064 1.00 0.25 C ATOM 1078 O PHE A 231 14.776 -4.407 -4.146 1.00 0.41 O ATOM 1079 CB PHE A 231 12.718 -3.423 -6.039 1.00 0.21 C ATOM 1080 CG PHE A 231 11.428 -4.075 -6.454 1.00 0.20 C ATOM 1081 CD1 PHE A 231 10.316 -4.049 -5.631 1.00 0.33 C ATOM 1082 CD2 PHE A 231 11.336 -4.718 -7.677 1.00 0.44 C ATOM 1083 CE1 PHE A 231 9.136 -4.651 -6.018 1.00 0.36 C ATOM 1084 CE2 PHE A 231 10.159 -5.322 -8.071 1.00 0.45 C ATOM 1085 CZ PHE A 231 9.058 -5.290 -7.240 1.00 0.27 C ATOM 0 H PHE A 231 12.285 -1.151 -5.120 1.00 0.17 H new ATOM 0 HA PHE A 231 12.167 -3.770 -3.995 1.00 0.20 H new ATOM 0 HB2 PHE A 231 12.844 -2.503 -6.609 1.00 0.21 H new ATOM 0 HB3 PHE A 231 13.544 -4.081 -6.309 1.00 0.21 H new ATOM 0 HD1 PHE A 231 10.372 -3.552 -4.674 1.00 0.33 H new ATOM 0 HD2 PHE A 231 12.195 -4.747 -8.330 1.00 0.44 H new ATOM 0 HE1 PHE A 231 8.275 -4.623 -5.367 1.00 0.36 H new ATOM 0 HE2 PHE A 231 10.100 -5.819 -9.028 1.00 0.45 H new ATOM 0 HZ PHE A 231 8.137 -5.764 -7.545 1.00 0.27 H new ATOM 1095 N GLN A 232 14.889 -2.248 -3.597 1.00 0.20 N ATOM 1096 CA GLN A 232 16.180 -2.414 -2.964 1.00 0.23 C ATOM 1097 C GLN A 232 15.982 -2.532 -1.462 1.00 0.25 C ATOM 1098 O GLN A 232 16.565 -3.400 -0.813 1.00 0.28 O ATOM 1099 CB GLN A 232 17.123 -1.255 -3.294 1.00 0.24 C ATOM 1100 CG GLN A 232 17.298 -1.003 -4.785 1.00 0.28 C ATOM 1101 CD GLN A 232 17.677 -2.252 -5.559 1.00 0.33 C ATOM 1102 OE1 GLN A 232 18.854 -2.584 -5.693 1.00 0.37 O ATOM 1103 NE2 GLN A 232 16.678 -2.943 -6.093 1.00 0.36 N ATOM 0 H GLN A 232 14.547 -1.288 -3.643 1.00 0.20 H new ATOM 0 HA GLN A 232 16.644 -3.323 -3.348 1.00 0.23 H new ATOM 0 HB2 GLN A 232 16.744 -0.347 -2.825 1.00 0.24 H new ATOM 0 HB3 GLN A 232 18.099 -1.458 -2.853 1.00 0.24 H new ATOM 0 HG2 GLN A 232 16.370 -0.599 -5.190 1.00 0.28 H new ATOM 0 HG3 GLN A 232 18.067 -0.245 -4.932 1.00 0.28 H new ATOM 0 HE21 GLN A 232 15.715 -2.634 -5.959 1.00 0.36 H new ATOM 0 HE22 GLN A 232 16.873 -3.783 -6.638 1.00 0.36 H new ATOM 1112 N ARG A 233 15.152 -1.645 -0.916 1.00 0.24 N ATOM 1113 CA ARG A 233 14.756 -1.700 0.488 1.00 0.27 C ATOM 1114 C ARG A 233 14.054 -3.025 0.795 1.00 0.29 C ATOM 1115 O ARG A 233 14.163 -3.565 1.894 1.00 0.33 O ATOM 1116 CB ARG A 233 13.761 -0.577 0.790 1.00 0.27 C ATOM 1117 CG ARG A 233 14.292 0.828 0.560 1.00 0.27 C ATOM 1118 CD ARG A 233 13.245 1.868 0.941 1.00 0.40 C ATOM 1119 NE ARG A 233 13.593 3.206 0.481 1.00 0.69 N ATOM 1120 CZ ARG A 233 13.789 4.247 1.285 1.00 0.67 C ATOM 1121 NH1 ARG A 233 13.679 4.113 2.601 1.00 0.93 N ATOM 1122 NH2 ARG A 233 14.073 5.425 0.758 1.00 1.39 N ATOM 0 H ARG A 233 14.737 -0.870 -1.434 1.00 0.24 H new ATOM 0 HA ARG A 233 15.656 -1.599 1.094 1.00 0.27 H new ATOM 0 HB2 ARG A 233 12.875 -0.720 0.172 1.00 0.27 H new ATOM 0 HB3 ARG A 233 13.442 -0.664 1.829 1.00 0.27 H new ATOM 0 HG2 ARG A 233 15.196 0.982 1.149 1.00 0.27 H new ATOM 0 HG3 ARG A 233 14.570 0.951 -0.487 1.00 0.27 H new ATOM 0 HD2 ARG A 233 12.282 1.581 0.518 1.00 0.40 H new ATOM 0 HD3 ARG A 233 13.127 1.879 2.024 1.00 0.40 H new ATOM 0 HE ARG A 233 13.693 3.354 -0.523 1.00 0.69 H new ATOM 0 HH11 ARG A 233 13.442 3.206 3.003 1.00 0.93 H new ATOM 0 HH12 ARG A 233 13.831 4.917 3.210 1.00 0.93 H new ATOM 0 HH21 ARG A 233 14.140 5.528 -0.255 1.00 1.39 H new ATOM 0 HH22 ARG A 233 14.226 6.231 1.364 1.00 1.39 H new ATOM 1136 N VAL A 234 13.347 -3.538 -0.216 1.00 0.27 N ATOM 1137 CA VAL A 234 12.396 -4.639 -0.091 1.00 0.27 C ATOM 1138 C VAL A 234 11.899 -5.019 -1.500 1.00 0.25 C ATOM 1139 O VAL A 234 10.969 -4.426 -2.030 1.00 0.24 O ATOM 1140 CB VAL A 234 11.201 -4.253 0.841 1.00 0.27 C ATOM 1141 CG1 VAL A 234 10.808 -2.796 0.663 1.00 0.28 C ATOM 1142 CG2 VAL A 234 9.982 -5.137 0.611 1.00 0.26 C ATOM 0 H VAL A 234 13.425 -3.186 -1.170 1.00 0.27 H new ATOM 0 HA VAL A 234 12.890 -5.496 0.367 1.00 0.27 H new ATOM 0 HB VAL A 234 11.549 -4.409 1.862 1.00 0.27 H new ATOM 0 HG11 VAL A 234 9.975 -2.560 1.325 1.00 0.28 H new ATOM 0 HG12 VAL A 234 11.657 -2.158 0.907 1.00 0.28 H new ATOM 0 HG13 VAL A 234 10.510 -2.623 -0.371 1.00 0.28 H new ATOM 0 HG21 VAL A 234 9.179 -4.831 1.281 1.00 0.26 H new ATOM 0 HG22 VAL A 234 9.650 -5.038 -0.423 1.00 0.26 H new ATOM 0 HG23 VAL A 234 10.244 -6.176 0.810 1.00 0.26 H new ATOM 1152 N PRO A 235 12.543 -5.997 -2.141 1.00 0.27 N ATOM 1153 CA PRO A 235 12.272 -6.350 -3.539 1.00 0.27 C ATOM 1154 C PRO A 235 11.019 -7.196 -3.720 1.00 0.30 C ATOM 1155 O PRO A 235 10.465 -7.277 -4.815 1.00 0.32 O ATOM 1156 CB PRO A 235 13.507 -7.162 -3.962 1.00 0.30 C ATOM 1157 CG PRO A 235 14.415 -7.207 -2.769 1.00 0.34 C ATOM 1158 CD PRO A 235 13.586 -6.846 -1.570 1.00 0.33 C ATOM 0 HA PRO A 235 12.096 -5.453 -4.133 1.00 0.27 H new ATOM 0 HB2 PRO A 235 13.223 -8.168 -4.272 1.00 0.30 H new ATOM 0 HB3 PRO A 235 14.006 -6.696 -4.812 1.00 0.30 H new ATOM 0 HG2 PRO A 235 14.849 -8.200 -2.652 1.00 0.34 H new ATOM 0 HG3 PRO A 235 15.244 -6.509 -2.889 1.00 0.34 H new ATOM 0 HD2 PRO A 235 13.169 -7.729 -1.086 1.00 0.33 H new ATOM 0 HD3 PRO A 235 14.171 -6.317 -0.818 1.00 0.33 H new ATOM 1166 N ARG A 236 10.567 -7.818 -2.656 1.00 0.31 N ATOM 1167 CA ARG A 236 9.447 -8.744 -2.745 1.00 0.31 C ATOM 1168 C ARG A 236 8.091 -8.084 -2.451 1.00 0.28 C ATOM 1169 O ARG A 236 7.182 -8.742 -1.948 1.00 0.32 O ATOM 1170 CB ARG A 236 9.695 -9.943 -1.812 1.00 0.39 C ATOM 1171 CG ARG A 236 10.133 -9.566 -0.397 1.00 0.67 C ATOM 1172 CD ARG A 236 8.972 -9.072 0.451 1.00 1.04 C ATOM 1173 NE ARG A 236 8.450 -10.143 1.300 1.00 1.78 N ATOM 1174 CZ ARG A 236 7.496 -11.002 0.934 1.00 2.75 C ATOM 1175 NH1 ARG A 236 6.839 -10.832 -0.207 1.00 3.36 N ATOM 1176 NH2 ARG A 236 7.190 -12.023 1.728 1.00 3.49 N ATOM 0 H ARG A 236 10.952 -7.704 -1.718 1.00 0.31 H new ATOM 0 HA ARG A 236 9.389 -9.089 -3.777 1.00 0.31 H new ATOM 0 HB2 ARG A 236 8.781 -10.534 -1.750 1.00 0.39 H new ATOM 0 HB3 ARG A 236 10.458 -10.581 -2.257 1.00 0.39 H new ATOM 0 HG2 ARG A 236 10.589 -10.432 0.083 1.00 0.67 H new ATOM 0 HG3 ARG A 236 10.898 -8.791 -0.450 1.00 0.67 H new ATOM 0 HD2 ARG A 236 9.299 -8.238 1.072 1.00 1.04 H new ATOM 0 HD3 ARG A 236 8.179 -8.696 -0.195 1.00 1.04 H new ATOM 0 HE ARG A 236 8.842 -10.240 2.237 1.00 1.78 H new ATOM 0 HH11 ARG A 236 7.062 -10.041 -0.811 1.00 3.36 H new ATOM 0 HH12 ARG A 236 6.111 -11.493 -0.480 1.00 3.36 H new ATOM 0 HH21 ARG A 236 7.683 -12.147 2.612 1.00 3.49 H new ATOM 0 HH22 ARG A 236 6.462 -12.682 1.453 1.00 3.49 H new ATOM 1190 N GLY A 237 7.931 -6.798 -2.771 1.00 0.23 N ATOM 1191 CA GLY A 237 6.658 -6.136 -2.506 1.00 0.20 C ATOM 1192 C GLY A 237 5.926 -5.683 -3.763 1.00 0.15 C ATOM 1193 O GLY A 237 5.116 -4.763 -3.711 1.00 0.15 O ATOM 0 H GLY A 237 8.646 -6.211 -3.201 1.00 0.23 H new ATOM 0 HA2 GLY A 237 6.015 -6.816 -1.948 1.00 0.20 H new ATOM 0 HA3 GLY A 237 6.836 -5.270 -1.868 1.00 0.20 H new ATOM 1197 N GLU A 238 6.191 -6.350 -4.882 1.00 0.16 N ATOM 1198 CA GLU A 238 5.530 -6.061 -6.165 1.00 0.15 C ATOM 1199 C GLU A 238 3.998 -6.086 -6.071 1.00 0.13 C ATOM 1200 O GLU A 238 3.312 -5.250 -6.661 1.00 0.13 O ATOM 1201 CB GLU A 238 6.010 -7.067 -7.211 1.00 0.19 C ATOM 1202 CG GLU A 238 5.888 -8.516 -6.769 1.00 1.06 C ATOM 1203 CD GLU A 238 6.552 -9.468 -7.738 1.00 1.37 C ATOM 1204 OE1 GLU A 238 5.892 -9.884 -8.709 1.00 1.55 O ATOM 1205 OE2 GLU A 238 7.737 -9.803 -7.532 1.00 1.74 O ATOM 0 H GLU A 238 6.870 -7.109 -4.932 1.00 0.16 H new ATOM 0 HA GLU A 238 5.804 -5.046 -6.455 1.00 0.15 H new ATOM 0 HB2 GLU A 238 5.436 -6.927 -8.127 1.00 0.19 H new ATOM 0 HB3 GLU A 238 7.052 -6.857 -7.452 1.00 0.19 H new ATOM 0 HG2 GLU A 238 6.338 -8.632 -5.783 1.00 1.06 H new ATOM 0 HG3 GLU A 238 4.834 -8.777 -6.671 1.00 1.06 H new ATOM 1212 N ILE A 239 3.479 -7.033 -5.309 1.00 0.12 N ATOM 1213 CA ILE A 239 2.034 -7.200 -5.177 1.00 0.12 C ATOM 1214 C ILE A 239 1.419 -6.006 -4.422 1.00 0.12 C ATOM 1215 O ILE A 239 0.276 -5.612 -4.681 1.00 0.12 O ATOM 1216 CB ILE A 239 1.700 -8.545 -4.485 1.00 0.13 C ATOM 1217 CG1 ILE A 239 0.767 -9.388 -5.359 1.00 0.18 C ATOM 1218 CG2 ILE A 239 1.078 -8.322 -3.122 1.00 0.25 C ATOM 1219 CD1 ILE A 239 -0.636 -8.835 -5.458 1.00 0.26 C ATOM 0 H ILE A 239 4.032 -7.700 -4.771 1.00 0.12 H new ATOM 0 HA ILE A 239 1.593 -7.225 -6.174 1.00 0.12 H new ATOM 0 HB ILE A 239 2.636 -9.086 -4.348 1.00 0.13 H new ATOM 0 HG12 ILE A 239 1.190 -9.462 -6.361 1.00 0.18 H new ATOM 0 HG13 ILE A 239 0.722 -10.400 -4.956 1.00 0.18 H new ATOM 0 HG21 ILE A 239 0.855 -9.285 -2.662 1.00 0.25 H new ATOM 0 HG22 ILE A 239 1.774 -7.770 -2.490 1.00 0.25 H new ATOM 0 HG23 ILE A 239 0.157 -7.750 -3.232 1.00 0.25 H new ATOM 0 HD11 ILE A 239 -1.239 -9.484 -6.093 1.00 0.26 H new ATOM 0 HD12 ILE A 239 -1.079 -8.787 -4.463 1.00 0.26 H new ATOM 0 HD13 ILE A 239 -0.603 -7.835 -5.890 1.00 0.26 H new ATOM 1231 N LEU A 240 2.206 -5.420 -3.526 1.00 0.13 N ATOM 1232 CA LEU A 240 1.778 -4.250 -2.764 1.00 0.14 C ATOM 1233 C LEU A 240 1.458 -3.101 -3.710 1.00 0.14 C ATOM 1234 O LEU A 240 0.343 -2.583 -3.737 1.00 0.14 O ATOM 1235 CB LEU A 240 2.875 -3.829 -1.777 1.00 0.18 C ATOM 1236 CG LEU A 240 2.760 -4.407 -0.368 1.00 0.24 C ATOM 1237 CD1 LEU A 240 4.036 -4.144 0.409 1.00 0.45 C ATOM 1238 CD2 LEU A 240 1.576 -3.793 0.361 1.00 0.25 C ATOM 0 H LEU A 240 3.150 -5.738 -3.308 1.00 0.13 H new ATOM 0 HA LEU A 240 0.880 -4.506 -2.201 1.00 0.14 H new ATOM 0 HB2 LEU A 240 3.841 -4.120 -2.191 1.00 0.18 H new ATOM 0 HB3 LEU A 240 2.874 -2.741 -1.704 1.00 0.18 H new ATOM 0 HG LEU A 240 2.605 -5.483 -0.446 1.00 0.24 H new ATOM 0 HD11 LEU A 240 3.943 -4.560 1.412 1.00 0.45 H new ATOM 0 HD12 LEU A 240 4.877 -4.613 -0.102 1.00 0.45 H new ATOM 0 HD13 LEU A 240 4.206 -3.069 0.476 1.00 0.45 H new ATOM 0 HD21 LEU A 240 1.507 -4.215 1.364 1.00 0.25 H new ATOM 0 HD22 LEU A 240 1.711 -2.714 0.430 1.00 0.25 H new ATOM 0 HD23 LEU A 240 0.659 -4.009 -0.187 1.00 0.25 H new ATOM 1250 N TRP A 241 2.445 -2.748 -4.509 1.00 0.14 N ATOM 1251 CA TRP A 241 2.353 -1.643 -5.450 1.00 0.15 C ATOM 1252 C TRP A 241 1.212 -1.790 -6.441 1.00 0.15 C ATOM 1253 O TRP A 241 0.593 -0.813 -6.851 1.00 0.16 O ATOM 1254 CB TRP A 241 3.684 -1.546 -6.164 1.00 0.17 C ATOM 1255 CG TRP A 241 4.707 -1.117 -5.173 1.00 0.16 C ATOM 1256 CD1 TRP A 241 5.547 -1.922 -4.476 1.00 0.17 C ATOM 1257 CD2 TRP A 241 4.936 0.218 -4.701 1.00 0.16 C ATOM 1258 NE1 TRP A 241 6.290 -1.177 -3.605 1.00 0.17 N ATOM 1259 CE2 TRP A 241 5.943 0.139 -3.727 1.00 0.17 C ATOM 1260 CE3 TRP A 241 4.398 1.472 -5.010 1.00 0.18 C ATOM 1261 CZ2 TRP A 241 6.423 1.258 -3.054 1.00 0.18 C ATOM 1262 CZ3 TRP A 241 4.878 2.586 -4.346 1.00 0.19 C ATOM 1263 CH2 TRP A 241 5.881 2.472 -3.377 1.00 0.19 C ATOM 0 H TRP A 241 3.346 -3.225 -4.525 1.00 0.14 H new ATOM 0 HA TRP A 241 2.132 -0.729 -4.899 1.00 0.15 H new ATOM 0 HB2 TRP A 241 3.954 -2.508 -6.598 1.00 0.17 H new ATOM 0 HB3 TRP A 241 3.625 -0.831 -6.985 1.00 0.17 H new ATOM 0 HD1 TRP A 241 5.618 -2.993 -4.592 1.00 0.17 H new ATOM 0 HE1 TRP A 241 6.993 -1.545 -2.964 1.00 0.17 H new ATOM 0 HE3 TRP A 241 3.621 1.568 -5.754 1.00 0.18 H new ATOM 0 HZ2 TRP A 241 7.195 1.172 -2.304 1.00 0.18 H new ATOM 0 HZ3 TRP A 241 4.472 3.559 -4.579 1.00 0.19 H new ATOM 0 HH2 TRP A 241 6.234 3.360 -2.874 1.00 0.19 H new ATOM 1274 N SER A 242 0.952 -3.030 -6.820 1.00 0.15 N ATOM 1275 CA SER A 242 -0.125 -3.342 -7.742 1.00 0.15 C ATOM 1276 C SER A 242 -1.463 -2.893 -7.157 1.00 0.14 C ATOM 1277 O SER A 242 -2.275 -2.252 -7.830 1.00 0.14 O ATOM 1278 CB SER A 242 -0.144 -4.844 -8.018 1.00 0.16 C ATOM 1279 OG SER A 242 -1.100 -5.177 -9.013 1.00 0.24 O ATOM 0 H SER A 242 1.478 -3.843 -6.499 1.00 0.15 H new ATOM 0 HA SER A 242 0.039 -2.811 -8.679 1.00 0.15 H new ATOM 0 HB2 SER A 242 0.846 -5.169 -8.339 1.00 0.16 H new ATOM 0 HB3 SER A 242 -0.373 -5.381 -7.098 1.00 0.16 H new ATOM 0 HG SER A 242 -1.087 -6.145 -9.168 1.00 0.24 H new ATOM 1285 N HIS A 243 -1.670 -3.221 -5.890 1.00 0.13 N ATOM 1286 CA HIS A 243 -2.861 -2.789 -5.171 1.00 0.13 C ATOM 1287 C HIS A 243 -2.836 -1.274 -4.987 1.00 0.13 C ATOM 1288 O HIS A 243 -3.873 -0.618 -4.966 1.00 0.13 O ATOM 1289 CB HIS A 243 -2.939 -3.502 -3.815 1.00 0.15 C ATOM 1290 CG HIS A 243 -4.073 -3.048 -2.946 1.00 0.15 C ATOM 1291 ND1 HIS A 243 -3.898 -2.855 -1.600 1.00 0.17 N ATOM 1292 CD2 HIS A 243 -5.363 -2.783 -3.266 1.00 0.15 C ATOM 1293 CE1 HIS A 243 -5.074 -2.484 -1.131 1.00 0.17 C ATOM 1294 NE2 HIS A 243 -5.992 -2.425 -2.102 1.00 0.17 N ATOM 0 H HIS A 243 -1.027 -3.787 -5.337 1.00 0.13 H new ATOM 0 HA HIS A 243 -3.747 -3.051 -5.749 1.00 0.13 H new ATOM 0 HB2 HIS A 243 -3.034 -4.574 -3.986 1.00 0.15 H new ATOM 0 HB3 HIS A 243 -2.002 -3.346 -3.281 1.00 0.15 H new ATOM 0 HD1 HIS A 243 -3.035 -2.974 -1.070 1.00 0.17 H new ATOM 0 HD2 HIS A 243 -5.809 -2.842 -4.248 1.00 0.15 H new ATOM 0 HE1 HIS A 243 -5.271 -2.257 -0.094 1.00 0.17 H new ATOM 1302 N LEU A 244 -1.637 -0.730 -4.901 1.00 0.13 N ATOM 1303 CA LEU A 244 -1.470 0.698 -4.690 1.00 0.12 C ATOM 1304 C LEU A 244 -1.836 1.480 -5.949 1.00 0.13 C ATOM 1305 O LEU A 244 -2.522 2.500 -5.875 1.00 0.12 O ATOM 1306 CB LEU A 244 -0.049 1.031 -4.232 1.00 0.13 C ATOM 1307 CG LEU A 244 0.244 2.523 -4.100 1.00 0.15 C ATOM 1308 CD1 LEU A 244 -0.875 3.215 -3.342 1.00 0.17 C ATOM 1309 CD2 LEU A 244 1.573 2.749 -3.399 1.00 0.17 C ATOM 0 H LEU A 244 -0.764 -1.253 -4.974 1.00 0.13 H new ATOM 0 HA LEU A 244 -2.152 0.998 -3.894 1.00 0.12 H new ATOM 0 HB2 LEU A 244 0.129 0.553 -3.269 1.00 0.13 H new ATOM 0 HB3 LEU A 244 0.658 0.597 -4.939 1.00 0.13 H new ATOM 0 HG LEU A 244 0.306 2.950 -5.101 1.00 0.15 H new ATOM 0 HD11 LEU A 244 -0.652 4.279 -3.255 1.00 0.17 H new ATOM 0 HD12 LEU A 244 -1.814 3.083 -3.879 1.00 0.17 H new ATOM 0 HD13 LEU A 244 -0.963 2.781 -2.346 1.00 0.17 H new ATOM 0 HD21 LEU A 244 1.763 3.819 -3.315 1.00 0.17 H new ATOM 0 HD22 LEU A 244 1.539 2.307 -2.403 1.00 0.17 H new ATOM 0 HD23 LEU A 244 2.372 2.283 -3.975 1.00 0.17 H new ATOM 1321 N GLU A 245 -1.382 1.008 -7.102 1.00 0.15 N ATOM 1322 CA GLU A 245 -1.776 1.618 -8.362 1.00 0.18 C ATOM 1323 C GLU A 245 -3.292 1.605 -8.511 1.00 0.17 C ATOM 1324 O GLU A 245 -3.881 2.561 -9.003 1.00 0.21 O ATOM 1325 CB GLU A 245 -1.107 0.914 -9.540 1.00 0.25 C ATOM 1326 CG GLU A 245 0.408 0.991 -9.492 1.00 0.34 C ATOM 1327 CD GLU A 245 1.066 0.380 -10.708 1.00 0.59 C ATOM 1328 OE1 GLU A 245 1.229 -0.855 -10.740 1.00 0.76 O ATOM 1329 OE2 GLU A 245 1.411 1.131 -11.643 1.00 0.83 O ATOM 0 H GLU A 245 -0.748 0.214 -7.190 1.00 0.15 H new ATOM 0 HA GLU A 245 -1.442 2.656 -8.359 1.00 0.18 H new ATOM 0 HB2 GLU A 245 -1.412 -0.132 -9.552 1.00 0.25 H new ATOM 0 HB3 GLU A 245 -1.459 1.360 -10.470 1.00 0.25 H new ATOM 0 HG2 GLU A 245 0.711 2.034 -9.407 1.00 0.34 H new ATOM 0 HG3 GLU A 245 0.765 0.481 -8.597 1.00 0.34 H new ATOM 1336 N LEU A 246 -3.910 0.524 -8.048 1.00 0.16 N ATOM 1337 CA LEU A 246 -5.365 0.371 -8.085 1.00 0.16 C ATOM 1338 C LEU A 246 -6.034 1.278 -7.045 1.00 0.16 C ATOM 1339 O LEU A 246 -7.146 1.764 -7.266 1.00 0.17 O ATOM 1340 CB LEU A 246 -5.741 -1.095 -7.846 1.00 0.17 C ATOM 1341 CG LEU A 246 -7.181 -1.481 -8.177 1.00 0.21 C ATOM 1342 CD1 LEU A 246 -7.383 -1.513 -9.681 1.00 0.30 C ATOM 1343 CD2 LEU A 246 -7.522 -2.830 -7.564 1.00 0.22 C ATOM 0 H LEU A 246 -3.420 -0.271 -7.637 1.00 0.16 H new ATOM 0 HA LEU A 246 -5.723 0.670 -9.070 1.00 0.16 H new ATOM 0 HB2 LEU A 246 -5.073 -1.721 -8.437 1.00 0.17 H new ATOM 0 HB3 LEU A 246 -5.555 -1.331 -6.798 1.00 0.17 H new ATOM 0 HG LEU A 246 -7.850 -0.732 -7.753 1.00 0.21 H new ATOM 0 HD11 LEU A 246 -8.414 -1.789 -9.904 1.00 0.30 H new ATOM 0 HD12 LEU A 246 -7.173 -0.528 -10.097 1.00 0.30 H new ATOM 0 HD13 LEU A 246 -6.707 -2.245 -10.123 1.00 0.30 H new ATOM 0 HD21 LEU A 246 -8.552 -3.091 -7.809 1.00 0.22 H new ATOM 0 HD22 LEU A 246 -6.850 -3.591 -7.962 1.00 0.22 H new ATOM 0 HD23 LEU A 246 -7.409 -2.777 -6.481 1.00 0.22 H new ATOM 1355 N LEU A 247 -5.356 1.518 -5.937 1.00 0.17 N ATOM 1356 CA LEU A 247 -5.813 2.503 -4.959 1.00 0.16 C ATOM 1357 C LEU A 247 -5.935 3.891 -5.598 1.00 0.17 C ATOM 1358 O LEU A 247 -7.014 4.475 -5.621 1.00 0.19 O ATOM 1359 CB LEU A 247 -4.866 2.561 -3.754 1.00 0.15 C ATOM 1360 CG LEU A 247 -4.917 1.353 -2.812 1.00 0.15 C ATOM 1361 CD1 LEU A 247 -3.781 1.417 -1.805 1.00 0.15 C ATOM 1362 CD2 LEU A 247 -6.254 1.296 -2.090 1.00 0.19 C ATOM 0 H LEU A 247 -4.486 1.047 -5.687 1.00 0.17 H new ATOM 0 HA LEU A 247 -6.798 2.191 -4.611 1.00 0.16 H new ATOM 0 HB2 LEU A 247 -3.846 2.669 -4.122 1.00 0.15 H new ATOM 0 HB3 LEU A 247 -5.094 3.458 -3.178 1.00 0.15 H new ATOM 0 HG LEU A 247 -4.805 0.448 -3.409 1.00 0.15 H new ATOM 0 HD11 LEU A 247 -3.832 0.552 -1.144 1.00 0.15 H new ATOM 0 HD12 LEU A 247 -2.827 1.415 -2.332 1.00 0.15 H new ATOM 0 HD13 LEU A 247 -3.868 2.330 -1.216 1.00 0.15 H new ATOM 0 HD21 LEU A 247 -6.272 0.432 -1.426 1.00 0.19 H new ATOM 0 HD22 LEU A 247 -6.391 2.206 -1.506 1.00 0.19 H new ATOM 0 HD23 LEU A 247 -7.058 1.209 -2.820 1.00 0.19 H new ATOM 1374 N ARG A 248 -4.860 4.400 -6.169 1.00 0.18 N ATOM 1375 CA ARG A 248 -4.927 5.729 -6.780 1.00 0.22 C ATOM 1376 C ARG A 248 -5.671 5.704 -8.114 1.00 0.23 C ATOM 1377 O ARG A 248 -5.881 6.737 -8.752 1.00 0.36 O ATOM 1378 CB ARG A 248 -3.553 6.383 -6.926 1.00 0.25 C ATOM 1379 CG ARG A 248 -2.462 5.495 -7.490 1.00 0.28 C ATOM 1380 CD ARG A 248 -1.225 6.320 -7.818 1.00 0.27 C ATOM 1381 NE ARG A 248 -1.134 7.519 -6.979 1.00 1.21 N ATOM 1382 CZ ARG A 248 -0.129 8.392 -7.013 1.00 1.50 C ATOM 1383 NH1 ARG A 248 0.916 8.192 -7.810 1.00 1.09 N ATOM 1384 NH2 ARG A 248 -0.174 9.469 -6.240 1.00 2.49 N ATOM 0 H ARG A 248 -3.953 3.937 -6.227 1.00 0.18 H new ATOM 0 HA ARG A 248 -5.499 6.350 -6.090 1.00 0.22 H new ATOM 0 HB2 ARG A 248 -3.653 7.258 -7.569 1.00 0.25 H new ATOM 0 HB3 ARG A 248 -3.235 6.741 -5.947 1.00 0.25 H new ATOM 0 HG2 ARG A 248 -2.208 4.717 -6.770 1.00 0.28 H new ATOM 0 HG3 ARG A 248 -2.821 4.993 -8.388 1.00 0.28 H new ATOM 0 HD2 ARG A 248 -0.333 5.709 -7.678 1.00 0.27 H new ATOM 0 HD3 ARG A 248 -1.250 6.612 -8.868 1.00 0.27 H new ATOM 0 HE ARG A 248 -1.894 7.697 -6.323 1.00 1.21 H new ATOM 0 HH11 ARG A 248 0.954 7.363 -8.403 1.00 1.09 H new ATOM 0 HH12 ARG A 248 1.680 8.867 -7.828 1.00 1.09 H new ATOM 0 HH21 ARG A 248 -0.974 9.623 -5.626 1.00 2.49 H new ATOM 0 HH22 ARG A 248 0.591 10.143 -6.259 1.00 2.49 H new ATOM 1398 N LYS A 249 -6.070 4.511 -8.512 1.00 0.21 N ATOM 1399 CA LYS A 249 -6.787 4.339 -9.766 1.00 0.25 C ATOM 1400 C LYS A 249 -8.245 4.531 -9.508 1.00 0.20 C ATOM 1401 O LYS A 249 -8.986 5.024 -10.355 1.00 0.25 O ATOM 1402 CB LYS A 249 -6.543 2.977 -10.428 1.00 0.33 C ATOM 1403 CG LYS A 249 -5.526 3.005 -11.564 1.00 0.44 C ATOM 1404 CD LYS A 249 -5.881 4.041 -12.628 1.00 1.04 C ATOM 1405 CE LYS A 249 -7.271 3.817 -13.219 1.00 1.12 C ATOM 1406 NZ LYS A 249 -7.370 2.536 -13.968 1.00 1.32 N ATOM 0 H LYS A 249 -5.912 3.649 -7.990 1.00 0.21 H new ATOM 0 HA LYS A 249 -6.410 5.084 -10.467 1.00 0.25 H new ATOM 0 HB2 LYS A 249 -6.203 2.273 -9.669 1.00 0.33 H new ATOM 0 HB3 LYS A 249 -7.490 2.598 -10.813 1.00 0.33 H new ATOM 0 HG2 LYS A 249 -4.538 3.225 -11.160 1.00 0.44 H new ATOM 0 HG3 LYS A 249 -5.470 2.018 -12.024 1.00 0.44 H new ATOM 0 HD2 LYS A 249 -5.832 5.038 -12.191 1.00 1.04 H new ATOM 0 HD3 LYS A 249 -5.140 4.006 -13.427 1.00 1.04 H new ATOM 0 HE2 LYS A 249 -8.009 3.823 -12.417 1.00 1.12 H new ATOM 0 HE3 LYS A 249 -7.517 4.644 -13.885 1.00 1.12 H new ATOM 0 HZ1 LYS A 249 -8.332 2.430 -14.349 1.00 1.32 H new ATOM 0 HZ2 LYS A 249 -6.685 2.538 -14.751 1.00 1.32 H new ATOM 0 HZ3 LYS A 249 -7.162 1.743 -13.328 1.00 1.32 H new ATOM 1420 N TYR A 250 -8.652 4.166 -8.313 1.00 0.24 N ATOM 1421 CA TYR A 250 -10.006 4.388 -7.910 1.00 0.41 C ATOM 1422 C TYR A 250 -10.027 5.184 -6.639 1.00 0.49 C ATOM 1423 O TYR A 250 -10.618 4.786 -5.646 1.00 0.58 O ATOM 1424 CB TYR A 250 -10.775 3.073 -7.735 1.00 0.51 C ATOM 1425 CG TYR A 250 -10.837 2.216 -8.976 1.00 0.50 C ATOM 1426 CD1 TYR A 250 -11.278 2.745 -10.180 1.00 1.05 C ATOM 1427 CD2 TYR A 250 -10.457 0.879 -8.945 1.00 0.64 C ATOM 1428 CE1 TYR A 250 -11.338 1.970 -11.319 1.00 1.05 C ATOM 1429 CE2 TYR A 250 -10.515 0.097 -10.082 1.00 0.69 C ATOM 1430 CZ TYR A 250 -10.948 0.630 -11.253 1.00 0.54 C ATOM 1431 OH TYR A 250 -11.025 -0.129 -12.397 1.00 0.59 O ATOM 0 H TYR A 250 -8.062 3.717 -7.613 1.00 0.24 H new ATOM 0 HA TYR A 250 -10.507 4.948 -8.700 1.00 0.41 H new ATOM 0 HB2 TYR A 250 -10.310 2.498 -6.934 1.00 0.51 H new ATOM 0 HB3 TYR A 250 -11.792 3.301 -7.415 1.00 0.51 H new ATOM 0 HD1 TYR A 250 -11.579 3.781 -10.226 1.00 1.05 H new ATOM 0 HD2 TYR A 250 -10.111 0.445 -8.018 1.00 0.64 H new ATOM 0 HE1 TYR A 250 -11.682 2.394 -12.251 1.00 1.05 H new ATOM 0 HE2 TYR A 250 -10.216 -0.940 -10.039 1.00 0.69 H new ATOM 0 HH TYR A 250 -10.721 -1.041 -12.206 1.00 0.59 H new ATOM 1441 N VAL A 251 -9.382 6.343 -6.689 1.00 0.55 N ATOM 1442 CA VAL A 251 -9.412 7.281 -5.594 1.00 0.76 C ATOM 1443 C VAL A 251 -10.800 7.858 -5.444 1.00 0.83 C ATOM 1444 O VAL A 251 -11.094 8.561 -4.477 1.00 1.07 O ATOM 1445 CB VAL A 251 -8.425 8.435 -5.794 1.00 1.13 C ATOM 1446 CG1 VAL A 251 -6.996 7.960 -5.656 1.00 0.86 C ATOM 1447 CG2 VAL A 251 -8.640 9.128 -7.135 1.00 1.95 C ATOM 0 H VAL A 251 -8.829 6.650 -7.489 1.00 0.55 H new ATOM 0 HA VAL A 251 -9.125 6.731 -4.698 1.00 0.76 H new ATOM 0 HB VAL A 251 -8.615 9.167 -5.009 1.00 1.13 H new ATOM 0 HG11 VAL A 251 -6.317 8.800 -5.803 1.00 0.86 H new ATOM 0 HG12 VAL A 251 -6.846 7.542 -4.660 1.00 0.86 H new ATOM 0 HG13 VAL A 251 -6.793 7.195 -6.405 1.00 0.86 H new ATOM 0 HG21 VAL A 251 -7.923 9.941 -7.243 1.00 1.95 H new ATOM 0 HG22 VAL A 251 -8.499 8.410 -7.943 1.00 1.95 H new ATOM 0 HG23 VAL A 251 -9.653 9.529 -7.179 1.00 1.95 H new ATOM 1457 N LEU A 252 -11.654 7.553 -6.413 1.00 1.23 N ATOM 1458 CA LEU A 252 -13.056 7.959 -6.329 1.00 2.17 C ATOM 1459 C LEU A 252 -13.724 7.179 -5.205 1.00 3.19 C ATOM 1460 O LEU A 252 -14.791 7.545 -4.717 1.00 3.99 O ATOM 1461 CB LEU A 252 -13.815 7.740 -7.650 1.00 2.05 C ATOM 1462 CG LEU A 252 -14.303 6.311 -7.924 1.00 2.25 C ATOM 1463 CD1 LEU A 252 -15.439 6.324 -8.934 1.00 2.35 C ATOM 1464 CD2 LEU A 252 -13.168 5.445 -8.438 1.00 2.64 C ATOM 0 H LEU A 252 -11.408 7.034 -7.256 1.00 1.23 H new ATOM 0 HA LEU A 252 -13.087 9.029 -6.125 1.00 2.17 H new ATOM 0 HB2 LEU A 252 -14.679 8.405 -7.663 1.00 2.05 H new ATOM 0 HB3 LEU A 252 -13.167 8.044 -8.472 1.00 2.05 H new ATOM 0 HG LEU A 252 -14.666 5.891 -6.986 1.00 2.25 H new ATOM 0 HD11 LEU A 252 -15.774 5.303 -9.118 1.00 2.35 H new ATOM 0 HD12 LEU A 252 -16.268 6.913 -8.542 1.00 2.35 H new ATOM 0 HD13 LEU A 252 -15.091 6.765 -9.868 1.00 2.35 H new ATOM 0 HD21 LEU A 252 -13.536 4.436 -8.626 1.00 2.64 H new ATOM 0 HD22 LEU A 252 -12.779 5.867 -9.364 1.00 2.64 H new ATOM 0 HD23 LEU A 252 -12.373 5.408 -7.694 1.00 2.64 H new ATOM 1476 N ALA A 253 -13.067 6.095 -4.808 1.00 3.24 N ATOM 1477 CA ALA A 253 -13.491 5.296 -3.679 1.00 4.18 C ATOM 1478 C ALA A 253 -13.413 6.128 -2.402 1.00 4.09 C ATOM 1479 O ALA A 253 -14.329 6.108 -1.580 1.00 4.94 O ATOM 1480 CB ALA A 253 -12.622 4.050 -3.598 1.00 4.92 C ATOM 0 H ALA A 253 -12.223 5.750 -5.266 1.00 3.24 H new ATOM 0 HA ALA A 253 -14.527 4.981 -3.803 1.00 4.18 H new ATOM 0 HB1 ALA A 253 -12.935 3.442 -2.749 1.00 4.92 H new ATOM 0 HB2 ALA A 253 -12.728 3.472 -4.516 1.00 4.92 H new ATOM 0 HB3 ALA A 253 -11.579 4.341 -3.470 1.00 4.92 H new ATOM 1486 N SER A 254 -12.309 6.859 -2.270 1.00 3.08 N ATOM 1487 CA SER A 254 -12.141 7.885 -1.240 1.00 2.81 C ATOM 1488 C SER A 254 -12.008 7.269 0.149 1.00 3.53 C ATOM 1489 O SER A 254 -10.859 7.021 0.566 1.00 3.77 O ATOM 1490 CB SER A 254 -13.302 8.893 -1.291 1.00 3.46 C ATOM 1491 OG SER A 254 -13.045 10.029 -0.478 1.00 3.67 O ATOM 1492 OXT SER A 254 -13.040 7.050 0.824 1.00 4.31 O ATOM 0 H SER A 254 -11.498 6.756 -2.880 1.00 3.08 H new ATOM 0 HA SER A 254 -11.213 8.418 -1.446 1.00 2.81 H new ATOM 0 HB2 SER A 254 -13.463 9.211 -2.321 1.00 3.46 H new ATOM 0 HB3 SER A 254 -14.220 8.408 -0.960 1.00 3.46 H new ATOM 0 HG SER A 254 -13.801 10.650 -0.535 1.00 3.67 H new TER 1498 SER A 254