USER MOD reduce.3.24.130724 H: found=0, std=0, add=378, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 378 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 308 CYS SG : rot -32:sc= -1.56 USER MOD Set 1.2: A 316 MET CE :methyl -177:sc= -1.13 (180deg=-0.538) USER MOD Single : A 298 TYR OH : rot 33:sc= 0.503 USER MOD Single : A 300 SER OG : rot -48:sc= 0.31 USER MOD Single : A 306 GLN : amide:sc= -0.0576 K(o=-0.058,f=-1) USER MOD Single : A 307 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 312 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 315 GLN : amide:sc= -0.223 K(o=-0.22,f=-1) USER MOD Single : A 318 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 322 SER OG : rot 180:sc= 0 USER MOD Single : A 323 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 324 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 327 THR OG1 : rot 180:sc= 0.0833 USER MOD Single : A 330 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 331 TYR OH : rot 180:sc= 0 USER MOD Single : A 332 HIS :FLIP no HD1:sc= -2.77 F(o=-3.8!,f=-2.8) USER MOD Single : A 333 MET CE :methyl 154:sc= -4.73! (180deg=-5.11!) USER MOD Single : A 334 GLN : amide:sc= -0.683 X(o=-0.68,f=-0.43) USER MOD Single : A 336 CYS SG : rot -45:sc= 0.466 USER MOD Single : A 339 SER OG : rot 180:sc= -0.488 USER MOD ----------------------------------------------------------------- ATOM 77 N LEU A 292 -2.195 9.030 20.144 1.00 73.13 N ATOM 78 CA LEU A 292 -2.154 7.682 20.701 1.00 14.42 C ATOM 79 C LEU A 292 -2.947 7.607 22.002 1.00 4.25 C ATOM 80 O LEU A 292 -2.854 8.496 22.849 1.00 32.04 O ATOM 81 CB LEU A 292 -0.706 7.255 20.947 1.00 75.42 C ATOM 82 CG LEU A 292 -0.015 6.532 19.790 1.00 4.41 C ATOM 83 CD1 LEU A 292 -0.746 5.243 19.452 1.00 21.43 C ATOM 84 CD2 LEU A 292 0.067 7.437 18.569 1.00 30.01 C ATOM 0 HA LEU A 292 -2.609 7.003 19.980 1.00 14.42 H new ATOM 0 HB2 LEU A 292 -0.123 8.142 21.195 1.00 75.42 H new ATOM 0 HB3 LEU A 292 -0.683 6.604 21.821 1.00 75.42 H new ATOM 0 HG LEU A 292 0.999 6.279 20.099 1.00 4.41 H new ATOM 0 HD11 LEU A 292 -0.239 4.743 18.627 1.00 21.43 H new ATOM 0 HD12 LEU A 292 -0.752 4.589 20.324 1.00 21.43 H new ATOM 0 HD13 LEU A 292 -1.772 5.472 19.163 1.00 21.43 H new ATOM 0 HD21 LEU A 292 0.562 6.906 17.755 1.00 30.01 H new ATOM 0 HD22 LEU A 292 -0.938 7.721 18.259 1.00 30.01 H new ATOM 0 HD23 LEU A 292 0.637 8.332 18.817 1.00 30.01 H new ATOM 96 N ASP A 293 -3.723 6.540 22.155 1.00 0.24 N ATOM 97 CA ASP A 293 -4.529 6.347 23.355 1.00 30.22 C ATOM 98 C ASP A 293 -3.783 5.498 24.380 1.00 10.11 C ATOM 99 O ASP A 293 -2.892 4.717 24.045 1.00 2.52 O ATOM 100 CB ASP A 293 -5.861 5.685 22.999 1.00 32.03 C ATOM 101 CG ASP A 293 -6.845 6.660 22.383 1.00 34.41 C ATOM 102 OD1 ASP A 293 -6.755 6.901 21.161 1.00 53.31 O ATOM 103 OD2 ASP A 293 -7.706 7.180 23.123 1.00 74.14 O ATOM 0 H ASP A 293 -3.811 5.795 21.463 1.00 0.24 H new ATOM 0 HA ASP A 293 -4.724 7.326 23.793 1.00 30.22 H new ATOM 0 HB2 ASP A 293 -5.682 4.866 22.303 1.00 32.03 H new ATOM 0 HB3 ASP A 293 -6.299 5.250 23.897 1.00 32.03 H new ATOM 108 N PRO A 294 -4.154 5.653 25.660 1.00 45.52 N ATOM 109 CA PRO A 294 -3.532 4.910 26.760 1.00 43.32 C ATOM 110 C PRO A 294 -3.890 3.428 26.734 1.00 51.43 C ATOM 111 O PRO A 294 -3.023 2.567 26.883 1.00 73.01 O ATOM 112 CB PRO A 294 -4.109 5.578 28.010 1.00 12.22 C ATOM 113 CG PRO A 294 -5.407 6.158 27.565 1.00 74.32 C ATOM 114 CD PRO A 294 -5.208 6.566 26.131 1.00 14.24 C ATOM 0 HA PRO A 294 -2.444 4.940 26.708 1.00 43.32 H new ATOM 0 HB2 PRO A 294 -4.253 4.856 28.814 1.00 12.22 H new ATOM 0 HB3 PRO A 294 -3.440 6.350 28.391 1.00 12.22 H new ATOM 0 HG2 PRO A 294 -6.212 5.428 27.655 1.00 74.32 H new ATOM 0 HG3 PRO A 294 -5.683 7.015 28.180 1.00 74.32 H new ATOM 0 HD2 PRO A 294 -6.124 6.455 25.551 1.00 14.24 H new ATOM 0 HD3 PRO A 294 -4.902 7.609 26.049 1.00 14.24 H new ATOM 122 N VAL A 295 -5.173 3.138 26.543 1.00 71.33 N ATOM 123 CA VAL A 295 -5.646 1.759 26.495 1.00 2.34 C ATOM 124 C VAL A 295 -4.971 0.985 25.368 1.00 15.42 C ATOM 125 O VAL A 295 -4.639 -0.189 25.522 1.00 70.34 O ATOM 126 CB VAL A 295 -7.173 1.696 26.305 1.00 61.11 C ATOM 127 CG1 VAL A 295 -7.588 2.465 25.060 1.00 12.11 C ATOM 128 CG2 VAL A 295 -7.640 0.250 26.229 1.00 14.30 C ATOM 0 H VAL A 295 -5.903 3.839 26.419 1.00 71.33 H new ATOM 0 HA VAL A 295 -5.387 1.302 27.450 1.00 2.34 H new ATOM 0 HB VAL A 295 -7.649 2.163 27.167 1.00 61.11 H new ATOM 0 HG11 VAL A 295 -8.670 2.409 24.942 1.00 12.11 H new ATOM 0 HG12 VAL A 295 -7.287 3.508 25.159 1.00 12.11 H new ATOM 0 HG13 VAL A 295 -7.105 2.030 24.185 1.00 12.11 H new ATOM 0 HG21 VAL A 295 -8.721 0.223 26.095 1.00 14.30 H new ATOM 0 HG22 VAL A 295 -7.157 -0.244 25.386 1.00 14.30 H new ATOM 0 HG23 VAL A 295 -7.376 -0.267 27.152 1.00 14.30 H new ATOM 138 N GLU A 296 -4.772 1.653 24.236 1.00 74.10 N ATOM 139 CA GLU A 296 -4.137 1.027 23.082 1.00 34.43 C ATOM 140 C GLU A 296 -2.719 0.577 23.420 1.00 44.35 C ATOM 141 O GLU A 296 -2.309 -0.532 23.077 1.00 43.11 O ATOM 142 CB GLU A 296 -4.109 1.996 21.899 1.00 54.12 C ATOM 143 CG GLU A 296 -4.205 1.309 20.547 1.00 44.11 C ATOM 144 CD GLU A 296 -5.501 1.620 19.824 1.00 1.43 C ATOM 145 OE1 GLU A 296 -5.599 2.714 19.228 1.00 32.43 O ATOM 146 OE2 GLU A 296 -6.416 0.772 19.855 1.00 74.01 O ATOM 0 H GLU A 296 -5.041 2.627 24.093 1.00 74.10 H new ATOM 0 HA GLU A 296 -4.723 0.149 22.808 1.00 34.43 H new ATOM 0 HB2 GLU A 296 -4.934 2.701 21.998 1.00 54.12 H new ATOM 0 HB3 GLU A 296 -3.187 2.577 21.937 1.00 54.12 H new ATOM 0 HG2 GLU A 296 -3.364 1.618 19.926 1.00 44.11 H new ATOM 0 HG3 GLU A 296 -4.120 0.231 20.685 1.00 44.11 H new ATOM 153 N VAL A 297 -1.973 1.447 24.093 1.00 2.51 N ATOM 154 CA VAL A 297 -0.600 1.141 24.478 1.00 52.34 C ATOM 155 C VAL A 297 -0.556 0.019 25.509 1.00 45.23 C ATOM 156 O VAL A 297 0.265 -0.894 25.413 1.00 3.51 O ATOM 157 CB VAL A 297 0.111 2.381 25.052 1.00 23.55 C ATOM 158 CG1 VAL A 297 1.507 2.019 25.536 1.00 23.41 C ATOM 159 CG2 VAL A 297 0.169 3.491 24.014 1.00 30.22 C ATOM 0 H VAL A 297 -2.296 2.370 24.383 1.00 2.51 H new ATOM 0 HA VAL A 297 -0.081 0.820 23.575 1.00 52.34 H new ATOM 0 HB VAL A 297 -0.461 2.744 25.906 1.00 23.55 H new ATOM 0 HG11 VAL A 297 1.994 2.907 25.938 1.00 23.41 H new ATOM 0 HG12 VAL A 297 1.437 1.260 26.315 1.00 23.41 H new ATOM 0 HG13 VAL A 297 2.092 1.630 24.702 1.00 23.41 H new ATOM 0 HG21 VAL A 297 0.675 4.359 24.437 1.00 30.22 H new ATOM 0 HG22 VAL A 297 0.717 3.143 23.139 1.00 30.22 H new ATOM 0 HG23 VAL A 297 -0.844 3.768 23.721 1.00 30.22 H new ATOM 169 N TYR A 298 -1.443 0.093 26.494 1.00 54.12 N ATOM 170 CA TYR A 298 -1.505 -0.916 27.545 1.00 44.42 C ATOM 171 C TYR A 298 -1.789 -2.296 26.960 1.00 44.44 C ATOM 172 O TYR A 298 -1.142 -3.279 27.319 1.00 1.30 O ATOM 173 CB TYR A 298 -2.582 -0.552 28.568 1.00 41.31 C ATOM 174 CG TYR A 298 -2.323 -1.116 29.947 1.00 60.14 C ATOM 175 CD1 TYR A 298 -2.414 -2.481 30.188 1.00 70.51 C ATOM 176 CD2 TYR A 298 -1.988 -0.284 31.008 1.00 75.31 C ATOM 177 CE1 TYR A 298 -2.179 -3.002 31.446 1.00 51.21 C ATOM 178 CE2 TYR A 298 -1.750 -0.796 32.269 1.00 54.12 C ATOM 179 CZ TYR A 298 -1.847 -2.155 32.483 1.00 71.11 C ATOM 180 OH TYR A 298 -1.612 -2.668 33.738 1.00 71.42 O ATOM 0 H TYR A 298 -2.130 0.841 26.587 1.00 54.12 H new ATOM 0 HA TYR A 298 -0.536 -0.945 28.043 1.00 44.42 H new ATOM 0 HB2 TYR A 298 -2.654 0.533 28.636 1.00 41.31 H new ATOM 0 HB3 TYR A 298 -3.547 -0.914 28.212 1.00 41.31 H new ATOM 0 HD1 TYR A 298 -2.673 -3.147 29.378 1.00 70.51 H new ATOM 0 HD2 TYR A 298 -1.912 0.781 30.844 1.00 75.31 H new ATOM 0 HE1 TYR A 298 -2.255 -4.066 31.616 1.00 51.21 H new ATOM 0 HE2 TYR A 298 -1.489 -0.136 33.083 1.00 54.12 H new ATOM 0 HH TYR A 298 -1.209 -3.558 33.658 1.00 71.42 H new ATOM 190 N GLU A 299 -2.761 -2.359 26.055 1.00 2.00 N ATOM 191 CA GLU A 299 -3.131 -3.618 25.420 1.00 71.15 C ATOM 192 C GLU A 299 -2.058 -4.064 24.430 1.00 34.32 C ATOM 193 O GLU A 299 -1.982 -5.238 24.068 1.00 33.54 O ATOM 194 CB GLU A 299 -4.475 -3.477 24.702 1.00 11.10 C ATOM 195 CG GLU A 299 -5.638 -3.195 25.638 1.00 12.02 C ATOM 196 CD GLU A 299 -6.884 -3.979 25.273 1.00 1.15 C ATOM 197 OE1 GLU A 299 -7.524 -3.635 24.258 1.00 53.02 O ATOM 198 OE2 GLU A 299 -7.219 -4.935 26.003 1.00 25.40 O ATOM 0 H GLU A 299 -3.306 -1.554 25.746 1.00 2.00 H new ATOM 0 HA GLU A 299 -3.221 -4.375 26.199 1.00 71.15 H new ATOM 0 HB2 GLU A 299 -4.404 -2.671 23.971 1.00 11.10 H new ATOM 0 HB3 GLU A 299 -4.679 -4.393 24.148 1.00 11.10 H new ATOM 0 HG2 GLU A 299 -5.345 -3.440 26.659 1.00 12.02 H new ATOM 0 HG3 GLU A 299 -5.865 -2.129 25.618 1.00 12.02 H new ATOM 205 N SER A 300 -1.232 -3.118 23.996 1.00 24.42 N ATOM 206 CA SER A 300 -0.166 -3.412 23.045 1.00 23.14 C ATOM 207 C SER A 300 1.139 -3.724 23.772 1.00 43.35 C ATOM 208 O SER A 300 2.222 -3.642 23.190 1.00 60.22 O ATOM 209 CB SER A 300 0.037 -2.232 22.093 1.00 15.11 C ATOM 210 OG SER A 300 0.807 -2.612 20.966 1.00 22.13 O ATOM 0 H SER A 300 -1.280 -2.142 24.287 1.00 24.42 H new ATOM 0 HA SER A 300 -0.459 -4.289 22.468 1.00 23.14 H new ATOM 0 HB2 SER A 300 -0.932 -1.855 21.765 1.00 15.11 H new ATOM 0 HB3 SER A 300 0.535 -1.418 22.619 1.00 15.11 H new ATOM 0 HG SER A 300 1.604 -3.098 21.263 1.00 22.13 H new ATOM 216 N LEU A 301 1.029 -4.081 25.046 1.00 12.02 N ATOM 217 CA LEU A 301 2.199 -4.405 25.854 1.00 23.51 C ATOM 218 C LEU A 301 2.182 -5.872 26.273 1.00 0.04 C ATOM 219 O LEU A 301 1.139 -6.526 26.289 1.00 63.54 O ATOM 220 CB LEU A 301 2.253 -3.510 27.093 1.00 52.31 C ATOM 221 CG LEU A 301 2.826 -2.108 26.883 1.00 4.12 C ATOM 222 CD1 LEU A 301 2.589 -1.244 28.112 1.00 34.54 C ATOM 223 CD2 LEU A 301 4.312 -2.182 26.561 1.00 73.13 C ATOM 0 H LEU A 301 0.141 -4.154 25.542 1.00 12.02 H new ATOM 0 HA LEU A 301 3.088 -4.229 25.248 1.00 23.51 H new ATOM 0 HB2 LEU A 301 1.243 -3.412 27.490 1.00 52.31 H new ATOM 0 HB3 LEU A 301 2.848 -4.014 27.855 1.00 52.31 H new ATOM 0 HG LEU A 301 2.313 -1.650 26.037 1.00 4.12 H new ATOM 0 HD11 LEU A 301 3.004 -0.250 27.944 1.00 34.54 H new ATOM 0 HD12 LEU A 301 1.518 -1.163 28.299 1.00 34.54 H new ATOM 0 HD13 LEU A 301 3.075 -1.698 28.975 1.00 34.54 H new ATOM 0 HD21 LEU A 301 4.703 -1.175 26.415 1.00 73.13 H new ATOM 0 HD22 LEU A 301 4.840 -2.660 27.386 1.00 73.13 H new ATOM 0 HD23 LEU A 301 4.459 -2.764 25.651 1.00 73.13 H new ATOM 235 N PRO A 302 3.363 -6.401 26.624 1.00 24.42 N ATOM 236 CA PRO A 302 3.510 -7.795 27.053 1.00 21.42 C ATOM 237 C PRO A 302 2.879 -8.052 28.418 1.00 43.44 C ATOM 238 O PRO A 302 2.769 -7.143 29.240 1.00 24.34 O ATOM 239 CB PRO A 302 5.027 -7.988 27.121 1.00 41.02 C ATOM 240 CG PRO A 302 5.573 -6.621 27.350 1.00 53.23 C ATOM 241 CD PRO A 302 4.647 -5.680 26.630 1.00 50.42 C ATOM 0 HA PRO A 302 3.009 -8.485 26.374 1.00 21.42 H new ATOM 0 HB2 PRO A 302 5.304 -8.665 27.929 1.00 41.02 H new ATOM 0 HB3 PRO A 302 5.413 -8.419 26.197 1.00 41.02 H new ATOM 0 HG2 PRO A 302 5.614 -6.390 28.415 1.00 53.23 H new ATOM 0 HG3 PRO A 302 6.590 -6.538 26.967 1.00 53.23 H new ATOM 0 HD2 PRO A 302 4.568 -4.723 27.145 1.00 50.42 H new ATOM 0 HD3 PRO A 302 4.995 -5.470 25.618 1.00 50.42 H new ATOM 249 N GLU A 303 2.467 -9.294 28.650 1.00 1.12 N ATOM 250 CA GLU A 303 1.847 -9.668 29.916 1.00 51.22 C ATOM 251 C GLU A 303 2.650 -9.128 31.096 1.00 52.33 C ATOM 252 O GLU A 303 2.083 -8.685 32.094 1.00 51.31 O ATOM 253 CB GLU A 303 1.727 -11.190 30.020 1.00 11.44 C ATOM 254 CG GLU A 303 0.302 -11.675 30.230 1.00 43.10 C ATOM 255 CD GLU A 303 0.185 -13.185 30.162 1.00 35.11 C ATOM 256 OE1 GLU A 303 1.226 -13.856 30.004 1.00 50.42 O ATOM 257 OE2 GLU A 303 -0.950 -13.696 30.268 1.00 71.44 O ATOM 0 H GLU A 303 2.551 -10.058 27.979 1.00 1.12 H new ATOM 0 HA GLU A 303 0.850 -9.229 29.947 1.00 51.22 H new ATOM 0 HB2 GLU A 303 2.125 -11.640 29.111 1.00 11.44 H new ATOM 0 HB3 GLU A 303 2.346 -11.539 30.846 1.00 11.44 H new ATOM 0 HG2 GLU A 303 -0.056 -11.330 31.200 1.00 43.10 H new ATOM 0 HG3 GLU A 303 -0.345 -11.230 29.474 1.00 43.10 H new ATOM 264 N GLU A 304 3.973 -9.169 30.972 1.00 32.12 N ATOM 265 CA GLU A 304 4.853 -8.685 32.029 1.00 65.31 C ATOM 266 C GLU A 304 4.644 -7.193 32.271 1.00 33.34 C ATOM 267 O GLU A 304 4.591 -6.740 33.415 1.00 10.15 O ATOM 268 CB GLU A 304 6.316 -8.954 31.667 1.00 12.25 C ATOM 269 CG GLU A 304 6.665 -8.591 30.234 1.00 40.30 C ATOM 270 CD GLU A 304 8.157 -8.635 29.968 1.00 42.30 C ATOM 271 OE1 GLU A 304 8.932 -8.717 30.944 1.00 42.35 O ATOM 272 OE2 GLU A 304 8.550 -8.587 28.783 1.00 34.42 O ATOM 0 H GLU A 304 4.458 -9.532 30.151 1.00 32.12 H new ATOM 0 HA GLU A 304 4.607 -9.222 32.945 1.00 65.31 H new ATOM 0 HB2 GLU A 304 6.958 -8.389 32.343 1.00 12.25 H new ATOM 0 HB3 GLU A 304 6.533 -10.010 31.829 1.00 12.25 H new ATOM 0 HG2 GLU A 304 6.158 -9.277 29.556 1.00 40.30 H new ATOM 0 HG3 GLU A 304 6.290 -7.591 30.015 1.00 40.30 H new ATOM 279 N LEU A 305 4.525 -6.435 31.187 1.00 4.12 N ATOM 280 CA LEU A 305 4.322 -4.993 31.280 1.00 31.34 C ATOM 281 C LEU A 305 2.960 -4.674 31.888 1.00 11.23 C ATOM 282 O LEU A 305 2.848 -3.824 32.771 1.00 5.04 O ATOM 283 CB LEU A 305 4.439 -4.351 29.897 1.00 72.42 C ATOM 284 CG LEU A 305 5.782 -3.696 29.572 1.00 32.41 C ATOM 285 CD1 LEU A 305 5.893 -2.341 30.253 1.00 23.23 C ATOM 286 CD2 LEU A 305 6.931 -4.602 29.990 1.00 45.52 C ATOM 0 H LEU A 305 4.566 -6.794 30.233 1.00 4.12 H new ATOM 0 HA LEU A 305 5.095 -4.583 31.930 1.00 31.34 H new ATOM 0 HB2 LEU A 305 4.239 -5.115 29.146 1.00 72.42 H new ATOM 0 HB3 LEU A 305 3.657 -3.597 29.801 1.00 72.42 H new ATOM 0 HG LEU A 305 5.840 -3.543 28.494 1.00 32.41 H new ATOM 0 HD11 LEU A 305 6.855 -1.890 30.011 1.00 23.23 H new ATOM 0 HD12 LEU A 305 5.090 -1.692 29.905 1.00 23.23 H new ATOM 0 HD13 LEU A 305 5.814 -2.469 31.333 1.00 23.23 H new ATOM 0 HD21 LEU A 305 7.879 -4.120 29.751 1.00 45.52 H new ATOM 0 HD22 LEU A 305 6.877 -4.786 31.063 1.00 45.52 H new ATOM 0 HD23 LEU A 305 6.860 -5.549 29.455 1.00 45.52 H new ATOM 298 N GLN A 306 1.928 -5.362 31.411 1.00 62.23 N ATOM 299 CA GLN A 306 0.574 -5.152 31.909 1.00 60.22 C ATOM 300 C GLN A 306 0.481 -5.490 33.393 1.00 25.21 C ATOM 301 O GLN A 306 -0.207 -4.810 34.154 1.00 33.21 O ATOM 302 CB GLN A 306 -0.421 -6.003 31.117 1.00 41.51 C ATOM 303 CG GLN A 306 -0.560 -5.580 29.663 1.00 20.42 C ATOM 304 CD GLN A 306 -1.298 -6.606 28.826 1.00 70.13 C ATOM 305 OE1 GLN A 306 -1.775 -7.618 29.341 1.00 63.04 O ATOM 306 NE2 GLN A 306 -1.397 -6.350 27.527 1.00 44.25 N ATOM 0 H GLN A 306 2.004 -6.070 30.680 1.00 62.23 H new ATOM 0 HA GLN A 306 0.325 -4.099 31.779 1.00 60.22 H new ATOM 0 HB2 GLN A 306 -0.106 -7.046 31.155 1.00 41.51 H new ATOM 0 HB3 GLN A 306 -1.398 -5.948 31.598 1.00 41.51 H new ATOM 0 HG2 GLN A 306 -1.089 -4.628 29.614 1.00 20.42 H new ATOM 0 HG3 GLN A 306 0.431 -5.416 29.240 1.00 20.42 H new ATOM 0 HE21 GLN A 306 -0.987 -5.499 27.142 1.00 44.25 H new ATOM 0 HE22 GLN A 306 -1.883 -7.004 26.914 1.00 44.25 H new ATOM 315 N LYS A 307 1.179 -6.546 33.799 1.00 2.41 N ATOM 316 CA LYS A 307 1.177 -6.975 35.193 1.00 44.44 C ATOM 317 C LYS A 307 1.962 -5.998 36.064 1.00 74.35 C ATOM 318 O LYS A 307 1.630 -5.789 37.231 1.00 31.21 O ATOM 319 CB LYS A 307 1.775 -8.378 35.316 1.00 32.13 C ATOM 320 CG LYS A 307 3.187 -8.391 35.876 1.00 72.03 C ATOM 321 CD LYS A 307 3.807 -9.775 35.791 1.00 25.43 C ATOM 322 CE LYS A 307 3.528 -10.589 37.045 1.00 35.24 C ATOM 323 NZ LYS A 307 4.291 -11.867 37.059 1.00 23.42 N ATOM 0 H LYS A 307 1.753 -7.120 33.182 1.00 2.41 H new ATOM 0 HA LYS A 307 0.144 -6.995 35.540 1.00 44.44 H new ATOM 0 HB2 LYS A 307 1.133 -8.982 35.957 1.00 32.13 H new ATOM 0 HB3 LYS A 307 1.779 -8.850 34.333 1.00 32.13 H new ATOM 0 HG2 LYS A 307 3.804 -7.680 35.326 1.00 72.03 H new ATOM 0 HG3 LYS A 307 3.171 -8.062 36.915 1.00 72.03 H new ATOM 0 HD2 LYS A 307 3.412 -10.299 34.921 1.00 25.43 H new ATOM 0 HD3 LYS A 307 4.884 -9.684 35.647 1.00 25.43 H new ATOM 0 HE2 LYS A 307 3.789 -10.001 37.925 1.00 35.24 H new ATOM 0 HE3 LYS A 307 2.461 -10.803 37.109 1.00 35.24 H new ATOM 0 HZ1 LYS A 307 4.073 -12.392 37.930 1.00 23.42 H new ATOM 0 HZ2 LYS A 307 4.024 -12.440 36.233 1.00 23.42 H new ATOM 0 HZ3 LYS A 307 5.310 -11.663 37.024 1.00 23.42 H new ATOM 337 N CYS A 308 3.001 -5.403 35.489 1.00 75.04 N ATOM 338 CA CYS A 308 3.831 -4.448 36.213 1.00 45.31 C ATOM 339 C CYS A 308 3.049 -3.178 36.531 1.00 52.22 C ATOM 340 O CYS A 308 3.161 -2.624 37.625 1.00 71.41 O ATOM 341 CB CYS A 308 5.078 -4.102 35.396 1.00 34.34 C ATOM 342 SG CYS A 308 6.455 -3.472 36.383 1.00 4.22 S ATOM 0 H CYS A 308 3.288 -5.565 34.524 1.00 75.04 H new ATOM 0 HA CYS A 308 4.136 -4.909 37.152 1.00 45.31 H new ATOM 0 HB2 CYS A 308 5.407 -4.992 34.860 1.00 34.34 H new ATOM 0 HB3 CYS A 308 4.813 -3.358 34.645 1.00 34.34 H new ATOM 0 HG CYS A 308 5.992 -2.802 37.396 1.00 4.22 H new ATOM 348 N PHE A 309 2.257 -2.720 35.567 1.00 61.03 N ATOM 349 CA PHE A 309 1.457 -1.513 35.743 1.00 64.34 C ATOM 350 C PHE A 309 0.366 -1.731 36.787 1.00 61.54 C ATOM 351 O PHE A 309 0.029 -0.824 37.547 1.00 5.13 O ATOM 352 CB PHE A 309 0.829 -1.094 34.412 1.00 44.30 C ATOM 353 CG PHE A 309 1.739 -0.260 33.556 1.00 4.21 C ATOM 354 CD1 PHE A 309 2.360 0.866 34.074 1.00 74.13 C ATOM 355 CD2 PHE A 309 1.975 -0.602 32.234 1.00 21.04 C ATOM 356 CE1 PHE A 309 3.197 1.635 33.288 1.00 52.30 C ATOM 357 CE2 PHE A 309 2.812 0.163 31.444 1.00 52.31 C ATOM 358 CZ PHE A 309 3.424 1.283 31.972 1.00 62.11 C ATOM 0 H PHE A 309 2.152 -3.166 34.656 1.00 61.03 H new ATOM 0 HA PHE A 309 2.116 -0.718 36.093 1.00 64.34 H new ATOM 0 HB2 PHE A 309 0.540 -1.987 33.858 1.00 44.30 H new ATOM 0 HB3 PHE A 309 -0.084 -0.533 34.611 1.00 44.30 H new ATOM 0 HD1 PHE A 309 2.188 1.145 35.103 1.00 74.13 H new ATOM 0 HD2 PHE A 309 1.499 -1.477 31.816 1.00 21.04 H new ATOM 0 HE1 PHE A 309 3.673 2.511 33.703 1.00 52.30 H new ATOM 0 HE2 PHE A 309 2.987 -0.115 30.415 1.00 52.31 H new ATOM 0 HZ PHE A 309 4.079 1.882 31.357 1.00 62.11 H new ATOM 368 N ASP A 310 -0.183 -2.941 36.816 1.00 43.11 N ATOM 369 CA ASP A 310 -1.236 -3.280 37.766 1.00 3.21 C ATOM 370 C ASP A 310 -0.738 -3.141 39.201 1.00 23.34 C ATOM 371 O ASP A 310 -1.472 -2.697 40.084 1.00 22.12 O ATOM 372 CB ASP A 310 -1.734 -4.705 37.521 1.00 23.12 C ATOM 373 CG ASP A 310 -3.156 -4.912 38.003 1.00 73.14 C ATOM 374 OD1 ASP A 310 -3.382 -4.856 39.230 1.00 62.32 O ATOM 375 OD2 ASP A 310 -4.044 -5.129 37.152 1.00 13.01 O ATOM 0 H ASP A 310 0.084 -3.703 36.193 1.00 43.11 H new ATOM 0 HA ASP A 310 -2.062 -2.585 37.618 1.00 3.21 H new ATOM 0 HB2 ASP A 310 -1.679 -4.928 36.455 1.00 23.12 H new ATOM 0 HB3 ASP A 310 -1.075 -5.409 38.029 1.00 23.12 H new ATOM 380 N VAL A 311 0.515 -3.526 39.428 1.00 55.44 N ATOM 381 CA VAL A 311 1.111 -3.444 40.756 1.00 60.45 C ATOM 382 C VAL A 311 1.712 -2.066 41.005 1.00 51.33 C ATOM 383 O VAL A 311 2.475 -1.870 41.951 1.00 65.34 O ATOM 384 CB VAL A 311 2.206 -4.511 40.945 1.00 34.33 C ATOM 385 CG1 VAL A 311 1.592 -5.902 40.998 1.00 24.30 C ATOM 386 CG2 VAL A 311 3.239 -4.417 39.833 1.00 23.22 C ATOM 0 H VAL A 311 1.136 -3.897 38.709 1.00 55.44 H new ATOM 0 HA VAL A 311 0.311 -3.623 41.474 1.00 60.45 H new ATOM 0 HB VAL A 311 2.710 -4.326 41.894 1.00 34.33 H new ATOM 0 HG11 VAL A 311 2.380 -6.643 41.132 1.00 24.30 H new ATOM 0 HG12 VAL A 311 0.894 -5.960 41.833 1.00 24.30 H new ATOM 0 HG13 VAL A 311 1.061 -6.101 40.067 1.00 24.30 H new ATOM 0 HG21 VAL A 311 4.005 -5.178 39.983 1.00 23.22 H new ATOM 0 HG22 VAL A 311 2.753 -4.576 38.870 1.00 23.22 H new ATOM 0 HG23 VAL A 311 3.701 -3.430 39.848 1.00 23.22 H new ATOM 396 N LYS A 312 1.362 -1.111 40.150 1.00 51.42 N ATOM 397 CA LYS A 312 1.864 0.252 40.277 1.00 45.23 C ATOM 398 C LYS A 312 3.292 0.258 40.815 1.00 14.02 C ATOM 399 O LYS A 312 3.694 1.181 41.524 1.00 70.03 O ATOM 400 CB LYS A 312 0.957 1.069 41.199 1.00 34.33 C ATOM 401 CG LYS A 312 0.957 0.583 42.639 1.00 44.24 C ATOM 402 CD LYS A 312 -0.129 -0.452 42.879 1.00 42.15 C ATOM 403 CE LYS A 312 -1.315 0.146 43.619 1.00 52.42 C ATOM 404 NZ LYS A 312 -1.142 0.072 45.096 1.00 72.20 N ATOM 0 H LYS A 312 0.732 -1.256 39.361 1.00 51.42 H new ATOM 0 HA LYS A 312 1.866 0.705 39.286 1.00 45.23 H new ATOM 0 HB2 LYS A 312 1.274 2.112 41.176 1.00 34.33 H new ATOM 0 HB3 LYS A 312 -0.062 1.037 40.814 1.00 34.33 H new ATOM 0 HG2 LYS A 312 1.930 0.153 42.879 1.00 44.24 H new ATOM 0 HG3 LYS A 312 0.809 1.429 43.309 1.00 44.24 H new ATOM 0 HD2 LYS A 312 -0.462 -0.859 41.924 1.00 42.15 H new ATOM 0 HD3 LYS A 312 0.279 -1.283 43.455 1.00 42.15 H new ATOM 0 HE2 LYS A 312 -1.442 1.186 43.320 1.00 52.42 H new ATOM 0 HE3 LYS A 312 -2.225 -0.382 43.333 1.00 52.42 H new ATOM 0 HZ1 LYS A 312 -1.971 0.490 45.564 1.00 72.20 H new ATOM 0 HZ2 LYS A 312 -1.046 -0.922 45.385 1.00 72.20 H new ATOM 0 HZ3 LYS A 312 -0.288 0.597 45.372 1.00 72.20 H new ATOM 418 N ASP A 313 4.052 -0.776 40.474 1.00 71.32 N ATOM 419 CA ASP A 313 5.435 -0.889 40.921 1.00 4.10 C ATOM 420 C ASP A 313 6.392 -0.327 39.874 1.00 23.02 C ATOM 421 O ASP A 313 6.933 -1.066 39.052 1.00 61.43 O ATOM 422 CB ASP A 313 5.782 -2.349 41.215 1.00 74.42 C ATOM 423 CG ASP A 313 7.005 -2.488 42.100 1.00 14.30 C ATOM 424 OD1 ASP A 313 7.720 -1.481 42.284 1.00 20.22 O ATOM 425 OD2 ASP A 313 7.247 -3.603 42.608 1.00 52.11 O ATOM 0 H ASP A 313 3.734 -1.549 39.889 1.00 71.32 H new ATOM 0 HA ASP A 313 5.543 -0.307 41.836 1.00 4.10 H new ATOM 0 HB2 ASP A 313 4.932 -2.831 41.697 1.00 74.42 H new ATOM 0 HB3 ASP A 313 5.956 -2.874 40.276 1.00 74.42 H new ATOM 430 N VAL A 314 6.596 0.986 39.910 1.00 2.13 N ATOM 431 CA VAL A 314 7.488 1.648 38.965 1.00 33.50 C ATOM 432 C VAL A 314 8.900 1.081 39.053 1.00 3.13 C ATOM 433 O VAL A 314 9.574 0.908 38.038 1.00 2.42 O ATOM 434 CB VAL A 314 7.539 3.167 39.211 1.00 4.14 C ATOM 435 CG1 VAL A 314 8.543 3.826 38.277 1.00 74.11 C ATOM 436 CG2 VAL A 314 6.158 3.781 39.042 1.00 11.14 C ATOM 0 H VAL A 314 6.156 1.613 40.584 1.00 2.13 H new ATOM 0 HA VAL A 314 7.087 1.463 37.968 1.00 33.50 H new ATOM 0 HB VAL A 314 7.865 3.341 40.237 1.00 4.14 H new ATOM 0 HG11 VAL A 314 8.565 4.899 38.465 1.00 74.11 H new ATOM 0 HG12 VAL A 314 9.533 3.406 38.453 1.00 74.11 H new ATOM 0 HG13 VAL A 314 8.251 3.645 37.243 1.00 74.11 H new ATOM 0 HG21 VAL A 314 6.213 4.855 39.220 1.00 11.14 H new ATOM 0 HG22 VAL A 314 5.800 3.599 38.029 1.00 11.14 H new ATOM 0 HG23 VAL A 314 5.469 3.330 39.756 1.00 11.14 H new ATOM 446 N GLN A 315 9.341 0.794 40.274 1.00 65.54 N ATOM 447 CA GLN A 315 10.675 0.246 40.494 1.00 11.30 C ATOM 448 C GLN A 315 10.870 -1.046 39.707 1.00 1.52 C ATOM 449 O GLN A 315 11.921 -1.265 39.106 1.00 4.42 O ATOM 450 CB GLN A 315 10.904 -0.011 41.984 1.00 13.15 C ATOM 451 CG GLN A 315 10.557 1.177 42.867 1.00 13.11 C ATOM 452 CD GLN A 315 11.100 2.485 42.326 1.00 61.22 C ATOM 453 OE1 GLN A 315 12.202 2.533 41.779 1.00 4.52 O ATOM 454 NE2 GLN A 315 10.327 3.554 42.475 1.00 43.30 N ATOM 0 H GLN A 315 8.795 0.931 41.125 1.00 65.54 H new ATOM 0 HA GLN A 315 11.403 0.977 40.142 1.00 11.30 H new ATOM 0 HB2 GLN A 315 10.306 -0.869 42.292 1.00 13.15 H new ATOM 0 HB3 GLN A 315 11.949 -0.277 42.142 1.00 13.15 H new ATOM 0 HG2 GLN A 315 9.474 1.250 42.962 1.00 13.11 H new ATOM 0 HG3 GLN A 315 10.955 1.009 43.868 1.00 13.11 H new ATOM 0 HE21 GLN A 315 9.421 3.468 42.935 1.00 43.30 H new ATOM 0 HE22 GLN A 315 10.639 4.461 42.130 1.00 43.30 H new ATOM 463 N MET A 316 9.850 -1.898 39.716 1.00 4.30 N ATOM 464 CA MET A 316 9.910 -3.168 39.002 1.00 3.10 C ATOM 465 C MET A 316 9.942 -2.943 37.494 1.00 50.33 C ATOM 466 O MET A 316 10.614 -3.670 36.761 1.00 2.12 O ATOM 467 CB MET A 316 8.712 -4.043 39.374 1.00 71.43 C ATOM 468 CG MET A 316 8.973 -5.532 39.210 1.00 11.14 C ATOM 469 SD MET A 316 7.784 -6.329 38.114 1.00 63.33 S ATOM 470 CE MET A 316 8.591 -6.118 36.529 1.00 41.43 C ATOM 0 H MET A 316 8.973 -1.732 40.209 1.00 4.30 H new ATOM 0 HA MET A 316 10.828 -3.678 39.294 1.00 3.10 H new ATOM 0 HB2 MET A 316 8.434 -3.843 40.409 1.00 71.43 H new ATOM 0 HB3 MET A 316 7.860 -3.761 38.755 1.00 71.43 H new ATOM 0 HG2 MET A 316 9.979 -5.679 38.817 1.00 11.14 H new ATOM 0 HG3 MET A 316 8.939 -6.013 40.188 1.00 11.14 H new ATOM 0 HE1 MET A 316 7.952 -6.513 35.740 1.00 41.43 H new ATOM 0 HE2 MET A 316 8.773 -5.058 36.352 1.00 41.43 H new ATOM 0 HE3 MET A 316 9.540 -6.654 36.530 1.00 41.43 H new ATOM 480 N LEU A 317 9.211 -1.932 37.036 1.00 64.25 N ATOM 481 CA LEU A 317 9.156 -1.611 35.613 1.00 32.45 C ATOM 482 C LEU A 317 10.521 -1.162 35.103 1.00 61.43 C ATOM 483 O LEU A 317 10.954 -1.566 34.024 1.00 75.23 O ATOM 484 CB LEU A 317 8.118 -0.517 35.358 1.00 72.34 C ATOM 485 CG LEU A 317 7.949 -0.079 33.902 1.00 5.04 C ATOM 486 CD1 LEU A 317 7.334 -1.197 33.076 1.00 61.42 C ATOM 487 CD2 LEU A 317 7.097 1.179 33.820 1.00 61.14 C ATOM 0 H LEU A 317 8.649 -1.321 37.628 1.00 64.25 H new ATOM 0 HA LEU A 317 8.866 -2.512 35.073 1.00 32.45 H new ATOM 0 HB2 LEU A 317 7.153 -0.866 35.726 1.00 72.34 H new ATOM 0 HB3 LEU A 317 8.388 0.357 35.951 1.00 72.34 H new ATOM 0 HG LEU A 317 8.934 0.146 33.493 1.00 5.04 H new ATOM 0 HD11 LEU A 317 7.222 -0.867 32.043 1.00 61.42 H new ATOM 0 HD12 LEU A 317 7.983 -2.072 33.108 1.00 61.42 H new ATOM 0 HD13 LEU A 317 6.356 -1.455 33.483 1.00 61.42 H new ATOM 0 HD21 LEU A 317 6.987 1.477 32.777 1.00 61.14 H new ATOM 0 HD22 LEU A 317 6.114 0.981 34.247 1.00 61.14 H new ATOM 0 HD23 LEU A 317 7.579 1.982 34.378 1.00 61.14 H new ATOM 499 N GLN A 318 11.195 -0.327 35.887 1.00 50.14 N ATOM 500 CA GLN A 318 12.512 0.175 35.514 1.00 41.25 C ATOM 501 C GLN A 318 13.513 -0.968 35.382 1.00 41.12 C ATOM 502 O GLN A 318 14.431 -0.911 34.563 1.00 32.10 O ATOM 503 CB GLN A 318 13.008 1.186 36.549 1.00 53.22 C ATOM 504 CG GLN A 318 12.303 2.531 36.472 1.00 44.25 C ATOM 505 CD GLN A 318 13.147 3.664 37.022 1.00 13.14 C ATOM 506 OE1 GLN A 318 13.757 4.422 36.268 1.00 5.23 O ATOM 507 NE2 GLN A 318 13.185 3.786 38.344 1.00 33.31 N ATOM 0 H GLN A 318 10.851 0.016 36.784 1.00 50.14 H new ATOM 0 HA GLN A 318 12.424 0.670 34.547 1.00 41.25 H new ATOM 0 HB2 GLN A 318 12.870 0.769 37.547 1.00 53.22 H new ATOM 0 HB3 GLN A 318 14.079 1.338 36.412 1.00 53.22 H new ATOM 0 HG2 GLN A 318 12.047 2.744 35.434 1.00 44.25 H new ATOM 0 HG3 GLN A 318 11.366 2.478 37.027 1.00 44.25 H new ATOM 0 HE21 GLN A 318 12.664 3.135 38.931 1.00 33.31 H new ATOM 0 HE22 GLN A 318 13.735 4.531 38.772 1.00 33.31 H new ATOM 516 N ASP A 319 13.331 -2.004 36.193 1.00 55.10 N ATOM 517 CA ASP A 319 14.217 -3.161 36.167 1.00 64.23 C ATOM 518 C ASP A 319 14.107 -3.901 34.837 1.00 14.30 C ATOM 519 O ASP A 319 15.103 -4.379 34.297 1.00 45.35 O ATOM 520 CB ASP A 319 13.888 -4.109 37.321 1.00 70.32 C ATOM 521 CG ASP A 319 15.124 -4.545 38.083 1.00 70.22 C ATOM 522 OD1 ASP A 319 15.826 -5.459 37.602 1.00 64.22 O ATOM 523 OD2 ASP A 319 15.389 -3.972 39.160 1.00 44.33 O ATOM 0 H ASP A 319 12.577 -2.066 36.877 1.00 55.10 H new ATOM 0 HA ASP A 319 15.241 -2.805 36.280 1.00 64.23 H new ATOM 0 HB2 ASP A 319 13.197 -3.617 38.006 1.00 70.32 H new ATOM 0 HB3 ASP A 319 13.377 -4.989 36.930 1.00 70.32 H new ATOM 528 N ALA A 320 12.887 -3.991 34.316 1.00 24.41 N ATOM 529 CA ALA A 320 12.646 -4.672 33.050 1.00 45.33 C ATOM 530 C ALA A 320 13.311 -3.932 31.894 1.00 41.31 C ATOM 531 O ALA A 320 13.792 -4.550 30.943 1.00 13.15 O ATOM 532 CB ALA A 320 11.152 -4.810 32.801 1.00 52.23 C ATOM 0 H ALA A 320 12.051 -3.601 34.751 1.00 24.41 H new ATOM 0 HA ALA A 320 13.086 -5.667 33.111 1.00 45.33 H new ATOM 0 HB1 ALA A 320 10.987 -5.320 31.852 1.00 52.23 H new ATOM 0 HB2 ALA A 320 10.701 -5.388 33.607 1.00 52.23 H new ATOM 0 HB3 ALA A 320 10.696 -3.821 32.765 1.00 52.23 H new ATOM 538 N ILE A 321 13.334 -2.606 31.981 1.00 22.14 N ATOM 539 CA ILE A 321 13.940 -1.783 30.943 1.00 44.15 C ATOM 540 C ILE A 321 15.461 -1.892 30.972 1.00 1.13 C ATOM 541 O ILE A 321 16.112 -1.918 29.928 1.00 24.20 O ATOM 542 CB ILE A 321 13.540 -0.303 31.092 1.00 61.24 C ATOM 543 CG1 ILE A 321 12.017 -0.168 31.154 1.00 43.05 C ATOM 544 CG2 ILE A 321 14.104 0.517 29.941 1.00 73.45 C ATOM 545 CD1 ILE A 321 11.306 -0.810 29.983 1.00 14.22 C ATOM 0 H ILE A 321 12.940 -2.079 32.760 1.00 22.14 H new ATOM 0 HA ILE A 321 13.569 -2.157 29.989 1.00 44.15 H new ATOM 0 HB ILE A 321 13.958 0.079 32.023 1.00 61.24 H new ATOM 0 HG12 ILE A 321 11.658 -0.619 32.079 1.00 43.05 H new ATOM 0 HG13 ILE A 321 11.755 0.889 31.192 1.00 43.05 H new ATOM 0 HG21 ILE A 321 13.813 1.561 30.061 1.00 73.45 H new ATOM 0 HG22 ILE A 321 15.191 0.442 29.939 1.00 73.45 H new ATOM 0 HG23 ILE A 321 13.713 0.137 28.997 1.00 73.45 H new ATOM 0 HD11 ILE A 321 10.230 -0.676 30.093 1.00 14.22 H new ATOM 0 HD12 ILE A 321 11.637 -0.343 29.056 1.00 14.22 H new ATOM 0 HD13 ILE A 321 11.538 -1.875 29.956 1.00 14.22 H new ATOM 557 N SER A 322 16.021 -1.957 32.176 1.00 11.11 N ATOM 558 CA SER A 322 17.466 -2.061 32.343 1.00 72.44 C ATOM 559 C SER A 322 17.988 -3.366 31.749 1.00 20.43 C ATOM 560 O SER A 322 19.115 -3.432 31.258 1.00 50.01 O ATOM 561 CB SER A 322 17.837 -1.977 33.824 1.00 21.03 C ATOM 562 OG SER A 322 19.239 -2.079 34.005 1.00 31.25 O ATOM 0 H SER A 322 15.496 -1.939 33.050 1.00 11.11 H new ATOM 0 HA SER A 322 17.929 -1.229 31.813 1.00 72.44 H new ATOM 0 HB2 SER A 322 17.481 -1.034 34.238 1.00 21.03 H new ATOM 0 HB3 SER A 322 17.337 -2.775 34.373 1.00 21.03 H new ATOM 0 HG SER A 322 19.451 -2.021 34.960 1.00 31.25 H new ATOM 568 N LYS A 323 17.160 -4.404 31.799 1.00 61.41 N ATOM 569 CA LYS A 323 17.535 -5.709 31.266 1.00 1.11 C ATOM 570 C LYS A 323 17.186 -5.812 29.785 1.00 61.32 C ATOM 571 O LYS A 323 17.860 -6.509 29.026 1.00 34.03 O ATOM 572 CB LYS A 323 16.832 -6.822 32.046 1.00 71.44 C ATOM 573 CG LYS A 323 15.317 -6.722 32.016 1.00 74.44 C ATOM 574 CD LYS A 323 14.668 -7.838 32.818 1.00 1.11 C ATOM 575 CE LYS A 323 15.036 -9.207 32.267 1.00 30.13 C ATOM 576 NZ LYS A 323 13.846 -10.093 32.143 1.00 34.24 N ATOM 0 H LYS A 323 16.224 -4.367 32.203 1.00 61.41 H new ATOM 0 HA LYS A 323 18.614 -5.823 31.375 1.00 1.11 H new ATOM 0 HB2 LYS A 323 17.132 -7.787 31.637 1.00 71.44 H new ATOM 0 HB3 LYS A 323 17.169 -6.797 33.082 1.00 71.44 H new ATOM 0 HG2 LYS A 323 15.007 -5.757 32.417 1.00 74.44 H new ATOM 0 HG3 LYS A 323 14.969 -6.765 30.984 1.00 74.44 H new ATOM 0 HD2 LYS A 323 14.981 -7.768 33.860 1.00 1.11 H new ATOM 0 HD3 LYS A 323 13.585 -7.717 32.801 1.00 1.11 H new ATOM 0 HE2 LYS A 323 15.506 -9.091 31.290 1.00 30.13 H new ATOM 0 HE3 LYS A 323 15.771 -9.676 32.921 1.00 30.13 H new ATOM 0 HZ1 LYS A 323 14.139 -11.016 31.764 1.00 34.24 H new ATOM 0 HZ2 LYS A 323 13.412 -10.225 33.079 1.00 34.24 H new ATOM 0 HZ3 LYS A 323 13.155 -9.658 31.499 1.00 34.24 H new ATOM 590 N MET A 324 16.131 -5.114 29.380 1.00 55.40 N ATOM 591 CA MET A 324 15.695 -5.126 27.988 1.00 13.54 C ATOM 592 C MET A 324 16.656 -4.329 27.111 1.00 75.51 C ATOM 593 O MET A 324 17.522 -3.614 27.614 1.00 63.23 O ATOM 594 CB MET A 324 14.282 -4.551 27.869 1.00 12.02 C ATOM 595 CG MET A 324 13.186 -5.589 28.051 1.00 3.02 C ATOM 596 SD MET A 324 12.738 -6.404 26.506 1.00 1.24 S ATOM 597 CE MET A 324 11.087 -6.980 26.894 1.00 0.22 C ATOM 0 H MET A 324 15.562 -4.533 29.995 1.00 55.40 H new ATOM 0 HA MET A 324 15.689 -6.160 27.644 1.00 13.54 H new ATOM 0 HB2 MET A 324 14.154 -3.765 28.614 1.00 12.02 H new ATOM 0 HB3 MET A 324 14.170 -4.084 26.891 1.00 12.02 H new ATOM 0 HG2 MET A 324 13.517 -6.338 28.770 1.00 3.02 H new ATOM 0 HG3 MET A 324 12.303 -5.109 28.474 1.00 3.02 H new ATOM 0 HE1 MET A 324 10.674 -7.506 26.034 1.00 0.22 H new ATOM 0 HE2 MET A 324 11.129 -7.657 27.748 1.00 0.22 H new ATOM 0 HE3 MET A 324 10.452 -6.128 27.137 1.00 0.22 H new ATOM 607 N ASP A 325 16.496 -4.459 25.798 1.00 2.25 N ATOM 608 CA ASP A 325 17.349 -3.751 24.851 1.00 4.32 C ATOM 609 C ASP A 325 17.080 -2.250 24.894 1.00 55.14 C ATOM 610 O ASP A 325 16.041 -1.794 25.372 1.00 34.41 O ATOM 611 CB ASP A 325 17.125 -4.282 23.435 1.00 44.15 C ATOM 612 CG ASP A 325 18.226 -5.224 22.989 1.00 62.32 C ATOM 613 OD1 ASP A 325 18.659 -6.061 23.809 1.00 63.24 O ATOM 614 OD2 ASP A 325 18.654 -5.125 21.820 1.00 70.50 O ATOM 0 H ASP A 325 15.784 -5.048 25.366 1.00 2.25 H new ATOM 0 HA ASP A 325 18.387 -3.924 25.135 1.00 4.32 H new ATOM 0 HB2 ASP A 325 16.167 -4.801 23.392 1.00 44.15 H new ATOM 0 HB3 ASP A 325 17.065 -3.444 22.741 1.00 44.15 H new ATOM 619 N PRO A 326 18.037 -1.462 24.382 1.00 12.54 N ATOM 620 CA PRO A 326 17.926 0.000 24.351 1.00 74.23 C ATOM 621 C PRO A 326 16.867 0.479 23.364 1.00 52.43 C ATOM 622 O PRO A 326 16.095 1.393 23.659 1.00 25.10 O ATOM 623 CB PRO A 326 19.318 0.452 23.903 1.00 32.20 C ATOM 624 CG PRO A 326 19.865 -0.705 23.141 1.00 70.42 C ATOM 625 CD PRO A 326 19.301 -1.936 23.795 1.00 21.24 C ATOM 0 HA PRO A 326 17.621 0.407 25.315 1.00 74.23 H new ATOM 0 HB2 PRO A 326 19.263 1.345 23.281 1.00 32.20 H new ATOM 0 HB3 PRO A 326 19.949 0.697 24.758 1.00 32.20 H new ATOM 0 HG2 PRO A 326 19.575 -0.653 22.092 1.00 70.42 H new ATOM 0 HG3 PRO A 326 20.955 -0.712 23.171 1.00 70.42 H new ATOM 0 HD2 PRO A 326 19.134 -2.734 23.072 1.00 21.24 H new ATOM 0 HD3 PRO A 326 19.974 -2.331 24.556 1.00 21.24 H new ATOM 633 N THR A 327 16.834 -0.143 22.189 1.00 1.32 N ATOM 634 CA THR A 327 15.870 0.221 21.158 1.00 3.22 C ATOM 635 C THR A 327 14.448 -0.117 21.591 1.00 3.10 C ATOM 636 O THR A 327 13.520 0.661 21.370 1.00 44.32 O ATOM 637 CB THR A 327 16.174 -0.494 19.828 1.00 13.01 C ATOM 638 OG1 THR A 327 17.517 -0.990 19.834 1.00 71.11 O ATOM 639 CG2 THR A 327 15.981 0.449 18.650 1.00 3.54 C ATOM 0 H THR A 327 17.464 -0.901 21.928 1.00 1.32 H new ATOM 0 HA THR A 327 15.955 1.298 21.011 1.00 3.22 H new ATOM 0 HB THR A 327 15.480 -1.328 19.723 1.00 13.01 H new ATOM 0 HG1 THR A 327 17.702 -1.445 18.986 1.00 71.11 H new ATOM 0 HG21 THR A 327 16.201 -0.078 17.722 1.00 3.54 H new ATOM 0 HG22 THR A 327 14.950 0.801 18.631 1.00 3.54 H new ATOM 0 HG23 THR A 327 16.653 1.301 18.752 1.00 3.54 H new ATOM 647 N ASP A 328 14.284 -1.281 22.209 1.00 22.31 N ATOM 648 CA ASP A 328 12.974 -1.722 22.675 1.00 43.40 C ATOM 649 C ASP A 328 12.471 -0.829 23.805 1.00 24.34 C ATOM 650 O ASP A 328 11.283 -0.518 23.882 1.00 43.33 O ATOM 651 CB ASP A 328 13.039 -3.175 23.146 1.00 22.24 C ATOM 652 CG ASP A 328 12.182 -4.097 22.301 1.00 12.33 C ATOM 653 OD1 ASP A 328 10.969 -4.198 22.579 1.00 32.32 O ATOM 654 OD2 ASP A 328 12.724 -4.717 21.363 1.00 61.14 O ATOM 0 H ASP A 328 15.042 -1.937 22.399 1.00 22.31 H new ATOM 0 HA ASP A 328 12.276 -1.650 21.841 1.00 43.40 H new ATOM 0 HB2 ASP A 328 14.073 -3.517 23.117 1.00 22.24 H new ATOM 0 HB3 ASP A 328 12.714 -3.232 24.185 1.00 22.24 H new ATOM 659 N ALA A 329 13.384 -0.422 24.682 1.00 72.41 N ATOM 660 CA ALA A 329 13.033 0.435 25.808 1.00 60.45 C ATOM 661 C ALA A 329 12.567 1.805 25.329 1.00 13.54 C ATOM 662 O ALA A 329 11.597 2.359 25.848 1.00 74.31 O ATOM 663 CB ALA A 329 14.218 0.578 26.751 1.00 31.43 C ATOM 0 H ALA A 329 14.372 -0.672 24.634 1.00 72.41 H new ATOM 0 HA ALA A 329 12.209 -0.032 26.347 1.00 60.45 H new ATOM 0 HB1 ALA A 329 13.942 1.220 27.587 1.00 31.43 H new ATOM 0 HB2 ALA A 329 14.504 -0.404 27.127 1.00 31.43 H new ATOM 0 HB3 ALA A 329 15.058 1.020 26.215 1.00 31.43 H new ATOM 669 N LYS A 330 13.264 2.350 24.338 1.00 71.21 N ATOM 670 CA LYS A 330 12.922 3.656 23.789 1.00 54.35 C ATOM 671 C LYS A 330 11.533 3.635 23.158 1.00 33.34 C ATOM 672 O LYS A 330 10.789 4.612 23.239 1.00 15.33 O ATOM 673 CB LYS A 330 13.959 4.082 22.747 1.00 1.32 C ATOM 674 CG LYS A 330 13.567 5.328 21.972 1.00 74.12 C ATOM 675 CD LYS A 330 14.672 5.768 21.027 1.00 60.24 C ATOM 676 CE LYS A 330 15.811 6.443 21.776 1.00 35.42 C ATOM 677 NZ LYS A 330 16.862 6.947 20.850 1.00 0.22 N ATOM 0 H LYS A 330 14.070 1.906 23.898 1.00 71.21 H new ATOM 0 HA LYS A 330 12.920 4.376 24.607 1.00 54.35 H new ATOM 0 HB2 LYS A 330 14.911 4.260 23.246 1.00 1.32 H new ATOM 0 HB3 LYS A 330 14.115 3.262 22.046 1.00 1.32 H new ATOM 0 HG2 LYS A 330 12.657 5.133 21.404 1.00 74.12 H new ATOM 0 HG3 LYS A 330 13.341 6.135 22.669 1.00 74.12 H new ATOM 0 HD2 LYS A 330 15.054 4.903 20.485 1.00 60.24 H new ATOM 0 HD3 LYS A 330 14.265 6.455 20.285 1.00 60.24 H new ATOM 0 HE2 LYS A 330 15.418 7.272 22.365 1.00 35.42 H new ATOM 0 HE3 LYS A 330 16.254 5.736 22.477 1.00 35.42 H new ATOM 0 HZ1 LYS A 330 17.620 7.400 21.399 1.00 0.22 H new ATOM 0 HZ2 LYS A 330 17.256 6.153 20.306 1.00 0.22 H new ATOM 0 HZ3 LYS A 330 16.445 7.641 20.197 1.00 0.22 H new ATOM 691 N TYR A 331 11.189 2.514 22.533 1.00 44.54 N ATOM 692 CA TYR A 331 9.890 2.366 21.888 1.00 10.41 C ATOM 693 C TYR A 331 8.768 2.354 22.921 1.00 34.44 C ATOM 694 O TYR A 331 7.740 3.009 22.747 1.00 33.11 O ATOM 695 CB TYR A 331 9.851 1.080 21.061 1.00 42.54 C ATOM 696 CG TYR A 331 8.455 0.546 20.838 1.00 74.40 C ATOM 697 CD1 TYR A 331 7.580 1.175 19.961 1.00 13.14 C ATOM 698 CD2 TYR A 331 8.010 -0.590 21.504 1.00 64.33 C ATOM 699 CE1 TYR A 331 6.303 0.690 19.756 1.00 53.23 C ATOM 700 CE2 TYR A 331 6.736 -1.083 21.303 1.00 35.20 C ATOM 701 CZ TYR A 331 5.885 -0.439 20.429 1.00 63.25 C ATOM 702 OH TYR A 331 4.614 -0.926 20.225 1.00 25.22 O ATOM 0 H TYR A 331 11.792 1.695 22.460 1.00 44.54 H new ATOM 0 HA TYR A 331 9.742 3.220 21.227 1.00 10.41 H new ATOM 0 HB2 TYR A 331 10.319 1.265 20.094 1.00 42.54 H new ATOM 0 HB3 TYR A 331 10.447 0.317 21.562 1.00 42.54 H new ATOM 0 HD1 TYR A 331 7.904 2.058 19.431 1.00 13.14 H new ATOM 0 HD2 TYR A 331 8.672 -1.096 22.191 1.00 64.33 H new ATOM 0 HE1 TYR A 331 5.635 1.192 19.072 1.00 53.23 H new ATOM 0 HE2 TYR A 331 6.408 -1.968 21.827 1.00 35.20 H new ATOM 0 HH TYR A 331 4.478 -1.727 20.774 1.00 25.22 H new ATOM 712 N HIS A 332 8.973 1.603 23.999 1.00 32.20 N ATOM 713 CA HIS A 332 7.980 1.504 25.063 1.00 54.43 C ATOM 714 C HIS A 332 7.802 2.847 25.766 1.00 71.31 C ATOM 715 O HIS A 332 6.680 3.271 26.039 1.00 14.12 O ATOM 716 CB HIS A 332 8.390 0.435 26.075 1.00 3.25 C ATOM 717 CG HIS A 332 7.579 0.460 27.335 1.00 64.15 C ATOM 718 ND1 HIS A 332 6.244 0.352 27.530 1.00 24.52 N flip ATOM 719 CD2 HIS A 332 8.137 0.613 28.586 1.00 44.00 C flip ATOM 720 CE1 HIS A 332 6.023 0.439 28.882 1.00 30.43 C flip ATOM 721 NE2 HIS A 332 7.181 0.596 29.497 1.00 15.24 N flip ATOM 0 H HIS A 332 9.818 1.054 24.159 1.00 32.20 H new ATOM 0 HA HIS A 332 7.029 1.220 24.613 1.00 54.43 H new ATOM 0 HB2 HIS A 332 8.296 -0.547 25.612 1.00 3.25 H new ATOM 0 HB3 HIS A 332 9.442 0.569 26.327 1.00 3.25 H new ATOM 0 HD2 HIS A 332 9.191 0.729 28.789 1.00 44.00 H new ATOM 0 HE1 HIS A 332 5.058 0.387 29.365 1.00 30.43 H new ATOM 0 HE2 HIS A 332 7.314 0.688 30.504 1.00 15.24 H new ATOM 729 N MET A 333 8.917 3.509 26.057 1.00 52.15 N ATOM 730 CA MET A 333 8.883 4.803 26.728 1.00 44.43 C ATOM 731 C MET A 333 8.212 5.854 25.849 1.00 14.13 C ATOM 732 O MET A 333 7.445 6.684 26.337 1.00 53.15 O ATOM 733 CB MET A 333 10.301 5.253 27.087 1.00 61.44 C ATOM 734 CG MET A 333 10.907 4.482 28.249 1.00 52.15 C ATOM 735 SD MET A 333 12.702 4.630 28.319 1.00 4.34 S ATOM 736 CE MET A 333 13.078 3.540 29.690 1.00 63.45 C ATOM 0 H MET A 333 9.854 3.171 25.839 1.00 52.15 H new ATOM 0 HA MET A 333 8.301 4.694 27.643 1.00 44.43 H new ATOM 0 HB2 MET A 333 10.942 5.139 26.213 1.00 61.44 H new ATOM 0 HB3 MET A 333 10.285 6.314 27.335 1.00 61.44 H new ATOM 0 HG2 MET A 333 10.480 4.845 29.184 1.00 52.15 H new ATOM 0 HG3 MET A 333 10.636 3.430 28.163 1.00 52.15 H new ATOM 0 HE1 MET A 333 14.093 3.158 29.583 1.00 63.45 H new ATOM 0 HE2 MET A 333 12.994 4.091 30.627 1.00 63.45 H new ATOM 0 HE3 MET A 333 12.376 2.707 29.695 1.00 63.45 H new ATOM 746 N GLN A 334 8.505 5.812 24.554 1.00 65.42 N ATOM 747 CA GLN A 334 7.930 6.761 23.609 1.00 51.41 C ATOM 748 C GLN A 334 6.422 6.566 23.491 1.00 71.10 C ATOM 749 O GLN A 334 5.671 7.530 23.344 1.00 51.24 O ATOM 750 CB GLN A 334 8.585 6.607 22.235 1.00 1.13 C ATOM 751 CG GLN A 334 9.769 7.535 22.018 1.00 4.25 C ATOM 752 CD GLN A 334 9.408 8.996 22.204 1.00 71.33 C ATOM 753 OE1 GLN A 334 10.131 9.748 22.858 1.00 35.23 O ATOM 754 NE2 GLN A 334 8.284 9.406 21.627 1.00 64.44 N ATOM 0 H GLN A 334 9.138 5.130 24.135 1.00 65.42 H new ATOM 0 HA GLN A 334 8.120 7.767 23.983 1.00 51.41 H new ATOM 0 HB2 GLN A 334 8.915 5.575 22.113 1.00 1.13 H new ATOM 0 HB3 GLN A 334 7.839 6.796 21.463 1.00 1.13 H new ATOM 0 HG2 GLN A 334 10.565 7.270 22.714 1.00 4.25 H new ATOM 0 HG3 GLN A 334 10.162 7.387 21.012 1.00 4.25 H new ATOM 0 HE21 GLN A 334 7.715 8.748 21.094 1.00 64.44 H new ATOM 0 HE22 GLN A 334 7.990 10.379 21.717 1.00 64.44 H new ATOM 763 N ARG A 335 5.986 5.312 23.556 1.00 11.24 N ATOM 764 CA ARG A 335 4.567 4.990 23.455 1.00 5.43 C ATOM 765 C ARG A 335 3.829 5.380 24.732 1.00 1.44 C ATOM 766 O ARG A 335 2.736 5.945 24.681 1.00 34.34 O ATOM 767 CB ARG A 335 4.380 3.497 23.181 1.00 52.24 C ATOM 768 CG ARG A 335 4.743 3.089 21.762 1.00 33.53 C ATOM 769 CD ARG A 335 3.934 3.865 20.735 1.00 43.03 C ATOM 770 NE ARG A 335 4.138 3.357 19.381 1.00 74.32 N ATOM 771 CZ ARG A 335 5.169 3.696 18.615 1.00 12.34 C ATOM 772 NH1 ARG A 335 6.086 4.540 19.069 1.00 72.31 N ATOM 773 NH2 ARG A 335 5.285 3.191 17.394 1.00 54.32 N ATOM 0 H ARG A 335 6.595 4.503 23.678 1.00 11.24 H new ATOM 0 HA ARG A 335 4.149 5.560 22.626 1.00 5.43 H new ATOM 0 HB2 ARG A 335 4.991 2.928 23.881 1.00 52.24 H new ATOM 0 HB3 ARG A 335 3.341 3.228 23.373 1.00 52.24 H new ATOM 0 HG2 ARG A 335 5.806 3.260 21.594 1.00 33.53 H new ATOM 0 HG3 ARG A 335 4.568 2.021 21.633 1.00 33.53 H new ATOM 0 HD2 ARG A 335 2.875 3.807 20.988 1.00 43.03 H new ATOM 0 HD3 ARG A 335 4.214 4.918 20.773 1.00 43.03 H new ATOM 0 HE ARG A 335 3.450 2.706 19.002 1.00 74.32 H new ATOM 0 HH11 ARG A 335 6.000 4.930 20.008 1.00 72.31 H new ATOM 0 HH12 ARG A 335 6.877 4.799 18.479 1.00 72.31 H new ATOM 0 HH21 ARG A 335 4.582 2.541 17.042 1.00 54.32 H new ATOM 0 HH22 ARG A 335 6.077 3.452 16.807 1.00 54.32 H new ATOM 787 N CYS A 336 4.433 5.075 25.875 1.00 5.43 N ATOM 788 CA CYS A 336 3.833 5.393 27.166 1.00 31.32 C ATOM 789 C CYS A 336 3.716 6.902 27.355 1.00 22.44 C ATOM 790 O CYS A 336 2.793 7.385 28.011 1.00 55.25 O ATOM 791 CB CYS A 336 4.661 4.787 28.300 1.00 21.21 C ATOM 792 SG CYS A 336 6.047 5.818 28.834 1.00 23.40 S ATOM 0 H CYS A 336 5.338 4.608 25.934 1.00 5.43 H new ATOM 0 HA CYS A 336 2.831 4.964 27.188 1.00 31.32 H new ATOM 0 HB2 CYS A 336 4.009 4.603 29.154 1.00 21.21 H new ATOM 0 HB3 CYS A 336 5.045 3.819 27.978 1.00 21.21 H new ATOM 0 HG CYS A 336 6.681 6.267 27.792 1.00 23.40 H new ATOM 798 N ILE A 337 4.659 7.639 26.779 1.00 1.42 N ATOM 799 CA ILE A 337 4.662 9.093 26.885 1.00 0.22 C ATOM 800 C ILE A 337 3.530 9.706 26.067 1.00 4.22 C ATOM 801 O ILE A 337 2.814 10.587 26.543 1.00 53.13 O ATOM 802 CB ILE A 337 6.002 9.689 26.415 1.00 52.34 C ATOM 803 CG1 ILE A 337 7.115 9.342 27.405 1.00 65.44 C ATOM 804 CG2 ILE A 337 5.882 11.197 26.251 1.00 5.24 C ATOM 805 CD1 ILE A 337 8.496 9.340 26.785 1.00 14.14 C ATOM 0 H ILE A 337 5.431 7.254 26.234 1.00 1.42 H new ATOM 0 HA ILE A 337 4.517 9.333 27.938 1.00 0.22 H new ATOM 0 HB ILE A 337 6.256 9.257 25.447 1.00 52.34 H new ATOM 0 HG12 ILE A 337 7.095 10.058 28.227 1.00 65.44 H new ATOM 0 HG13 ILE A 337 6.916 8.360 27.833 1.00 65.44 H new ATOM 0 HG21 ILE A 337 6.837 11.604 25.918 1.00 5.24 H new ATOM 0 HG22 ILE A 337 5.114 11.423 25.511 1.00 5.24 H new ATOM 0 HG23 ILE A 337 5.609 11.646 27.206 1.00 5.24 H new ATOM 0 HD11 ILE A 337 9.235 9.086 27.544 1.00 14.14 H new ATOM 0 HD12 ILE A 337 8.533 8.604 25.982 1.00 14.14 H new ATOM 0 HD13 ILE A 337 8.715 10.329 26.382 1.00 14.14 H new ATOM 817 N ASP A 338 3.375 9.233 24.836 1.00 52.33 N ATOM 818 CA ASP A 338 2.328 9.733 23.952 1.00 61.45 C ATOM 819 C ASP A 338 0.948 9.329 24.461 1.00 20.20 C ATOM 820 O ASP A 338 -0.045 10.007 24.197 1.00 61.41 O ATOM 821 CB ASP A 338 2.536 9.204 22.531 1.00 13.42 C ATOM 822 CG ASP A 338 3.903 9.554 21.978 1.00 40.14 C ATOM 823 OD1 ASP A 338 4.568 10.440 22.555 1.00 65.42 O ATOM 824 OD2 ASP A 338 4.308 8.942 20.968 1.00 60.23 O ATOM 0 H ASP A 338 3.960 8.505 24.427 1.00 52.33 H new ATOM 0 HA ASP A 338 2.386 10.821 23.939 1.00 61.45 H new ATOM 0 HB2 ASP A 338 2.412 8.121 22.528 1.00 13.42 H new ATOM 0 HB3 ASP A 338 1.767 9.615 21.877 1.00 13.42 H new ATOM 829 N SER A 339 0.894 8.220 25.192 1.00 73.33 N ATOM 830 CA SER A 339 -0.365 7.723 25.734 1.00 32.41 C ATOM 831 C SER A 339 -0.572 8.213 27.164 1.00 60.00 C ATOM 832 O SER A 339 -1.666 8.106 27.717 1.00 42.22 O ATOM 833 CB SER A 339 -0.392 6.193 25.698 1.00 1.45 C ATOM 834 OG SER A 339 -0.255 5.650 27.000 1.00 1.42 O ATOM 0 H SER A 339 1.707 7.649 25.422 1.00 73.33 H new ATOM 0 HA SER A 339 -1.176 8.108 25.115 1.00 32.41 H new ATOM 0 HB2 SER A 339 -1.328 5.853 25.255 1.00 1.45 H new ATOM 0 HB3 SER A 339 0.413 5.827 25.061 1.00 1.45 H new ATOM 0 HG SER A 339 -0.277 4.672 26.950 1.00 1.42 H new ATOM 840 N GLY A 340 0.489 8.752 27.758 1.00 71.44 N ATOM 841 CA GLY A 340 0.404 9.251 29.118 1.00 63.43 C ATOM 842 C GLY A 340 0.072 8.159 30.116 1.00 54.41 C ATOM 843 O GLY A 340 -0.571 8.415 31.135 1.00 33.21 O ATOM 0 H GLY A 340 1.405 8.852 27.321 1.00 71.44 H new ATOM 0 HA2 GLY A 340 1.352 9.714 29.392 1.00 63.43 H new ATOM 0 HA3 GLY A 340 -0.357 10.030 29.169 1.00 63.43 H new