USER MOD reduce.3.24.130724 H: found=0, std=0, add=378, rem=0, adj=12 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 64:sc= -0.634 USER MOD Set 1.2: A 316 MET CE :methyl 170:sc= -0.612 (180deg=-1.28) USER MOD Single : A 298 TYR OH : rot 36:sc= 0.287 USER MOD Single : A 300 SER OG : rot -44:sc= 0.674 USER MOD Single : A 306 GLN : amide:sc= -0.985 K(o=-0.98,f=-2.1!) USER MOD Single : A 307 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 312 LYS NZ :NH3+ -153:sc= -0.0824 (180deg=-0.457) USER MOD Single : A 315 GLN : amide:sc= 0 X(o=0,f=0) 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= 0.0674 USER MOD Single : A 330 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 331 TYR OH : rot 180:sc= -0.234 USER MOD Single : A 332 HIS : no HE2:sc= -2.43 X(o=-2.4,f=-2.5) USER MOD Single : A 333 MET CE :methyl 174:sc= 0 (180deg=-0.0412) USER MOD Single : A 334 GLN : amide:sc= -0.614 X(o=-0.61,f=-0.36) USER MOD Single : A 336 CYS SG : rot 70:sc= 1.02 USER MOD Single : A 339 SER OG : rot 170:sc= -0.149 USER MOD ----------------------------------------------------------------- ATOM 77 N LEU A 292 10.868 -6.162 18.065 1.00 1.02 N ATOM 78 CA LEU A 292 11.429 -6.030 19.405 1.00 21.53 C ATOM 79 C LEU A 292 10.692 -6.927 20.395 1.00 54.02 C ATOM 80 O LEU A 292 9.471 -7.072 20.326 1.00 60.13 O ATOM 81 CB LEU A 292 11.359 -4.574 19.868 1.00 33.35 C ATOM 82 CG LEU A 292 12.523 -3.678 19.445 1.00 60.22 C ATOM 83 CD1 LEU A 292 13.787 -4.052 20.203 1.00 65.15 C ATOM 84 CD2 LEU A 292 12.751 -3.774 17.943 1.00 32.03 C ATOM 0 HA LEU A 292 12.473 -6.343 19.367 1.00 21.53 H new ATOM 0 HB2 LEU A 292 10.435 -4.138 19.489 1.00 33.35 H new ATOM 0 HB3 LEU A 292 11.295 -4.563 20.956 1.00 33.35 H new ATOM 0 HG LEU A 292 12.270 -2.646 19.689 1.00 60.22 H new ATOM 0 HD11 LEU A 292 14.605 -3.404 19.889 1.00 65.15 H new ATOM 0 HD12 LEU A 292 13.619 -3.931 21.273 1.00 65.15 H new ATOM 0 HD13 LEU A 292 14.045 -5.090 19.991 1.00 65.15 H new ATOM 0 HD21 LEU A 292 13.583 -3.130 17.659 1.00 32.03 H new ATOM 0 HD22 LEU A 292 12.983 -4.805 17.675 1.00 32.03 H new ATOM 0 HD23 LEU A 292 11.851 -3.456 17.417 1.00 32.03 H new ATOM 96 N ASP A 293 11.440 -7.524 21.316 1.00 61.14 N ATOM 97 CA ASP A 293 10.857 -8.404 22.322 1.00 42.11 C ATOM 98 C ASP A 293 10.541 -7.633 23.600 1.00 61.30 C ATOM 99 O ASP A 293 11.129 -6.590 23.887 1.00 61.34 O ATOM 100 CB ASP A 293 11.809 -9.561 22.631 1.00 15.13 C ATOM 101 CG ASP A 293 11.785 -10.633 21.559 1.00 14.42 C ATOM 102 OD1 ASP A 293 10.952 -11.557 21.664 1.00 71.04 O ATOM 103 OD2 ASP A 293 12.599 -10.547 20.616 1.00 23.33 O ATOM 0 H ASP A 293 12.452 -7.415 21.387 1.00 61.14 H new ATOM 0 HA ASP A 293 9.926 -8.807 21.923 1.00 42.11 H new ATOM 0 HB2 ASP A 293 12.824 -9.176 22.733 1.00 15.13 H new ATOM 0 HB3 ASP A 293 11.539 -10.004 23.590 1.00 15.13 H new ATOM 108 N PRO A 294 9.589 -8.157 24.387 1.00 43.21 N ATOM 109 CA PRO A 294 9.173 -7.534 25.647 1.00 40.11 C ATOM 110 C PRO A 294 10.250 -7.625 26.722 1.00 21.44 C ATOM 111 O PRO A 294 10.572 -6.635 27.379 1.00 40.23 O ATOM 112 CB PRO A 294 7.941 -8.346 26.054 1.00 52.22 C ATOM 113 CG PRO A 294 8.127 -9.671 25.399 1.00 23.02 C ATOM 114 CD PRO A 294 8.847 -9.397 24.107 1.00 33.35 C ATOM 0 HA PRO A 294 8.978 -6.468 25.530 1.00 40.11 H new ATOM 0 HB2 PRO A 294 7.873 -8.446 27.137 1.00 52.22 H new ATOM 0 HB3 PRO A 294 7.022 -7.865 25.720 1.00 52.22 H new ATOM 0 HG2 PRO A 294 8.706 -10.342 26.034 1.00 23.02 H new ATOM 0 HG3 PRO A 294 7.167 -10.154 25.216 1.00 23.02 H new ATOM 0 HD2 PRO A 294 9.517 -10.214 23.839 1.00 33.35 H new ATOM 0 HD3 PRO A 294 8.151 -9.270 23.278 1.00 33.35 H new ATOM 122 N VAL A 295 10.805 -8.821 26.898 1.00 52.40 N ATOM 123 CA VAL A 295 11.847 -9.041 27.893 1.00 3.11 C ATOM 124 C VAL A 295 13.046 -8.132 27.644 1.00 33.01 C ATOM 125 O VAL A 295 13.648 -7.612 28.583 1.00 53.03 O ATOM 126 CB VAL A 295 12.320 -10.507 27.895 1.00 3.34 C ATOM 127 CG1 VAL A 295 12.776 -10.923 26.505 1.00 4.03 C ATOM 128 CG2 VAL A 295 13.434 -10.705 28.913 1.00 71.25 C ATOM 0 H VAL A 295 10.550 -9.652 26.364 1.00 52.40 H new ATOM 0 HA VAL A 295 11.412 -8.806 28.864 1.00 3.11 H new ATOM 0 HB VAL A 295 11.481 -11.142 28.180 1.00 3.34 H new ATOM 0 HG11 VAL A 295 13.107 -11.961 26.526 1.00 4.03 H new ATOM 0 HG12 VAL A 295 11.947 -10.820 25.804 1.00 4.03 H new ATOM 0 HG13 VAL A 295 13.601 -10.286 26.187 1.00 4.03 H new ATOM 0 HG21 VAL A 295 13.757 -11.746 28.902 1.00 71.25 H new ATOM 0 HG22 VAL A 295 14.277 -10.061 28.660 1.00 71.25 H new ATOM 0 HG23 VAL A 295 13.068 -10.450 29.907 1.00 71.25 H new ATOM 138 N GLU A 296 13.386 -7.945 26.373 1.00 73.15 N ATOM 139 CA GLU A 296 14.513 -7.099 26.001 1.00 41.45 C ATOM 140 C GLU A 296 14.293 -5.663 26.468 1.00 52.32 C ATOM 141 O GLU A 296 15.196 -5.031 27.017 1.00 72.12 O ATOM 142 CB GLU A 296 14.723 -7.127 24.485 1.00 15.11 C ATOM 143 CG GLU A 296 16.128 -6.740 24.058 1.00 42.35 C ATOM 144 CD GLU A 296 17.067 -7.929 23.993 1.00 12.11 C ATOM 145 OE1 GLU A 296 17.063 -8.740 24.942 1.00 24.23 O ATOM 146 OE2 GLU A 296 17.805 -8.048 22.993 1.00 53.14 O ATOM 0 H GLU A 296 12.897 -8.368 25.584 1.00 73.15 H new ATOM 0 HA GLU A 296 15.404 -7.490 26.491 1.00 41.45 H new ATOM 0 HB2 GLU A 296 14.503 -8.128 24.115 1.00 15.11 H new ATOM 0 HB3 GLU A 296 14.010 -6.449 24.015 1.00 15.11 H new ATOM 0 HG2 GLU A 296 16.087 -6.260 23.080 1.00 42.35 H new ATOM 0 HG3 GLU A 296 16.527 -6.005 24.757 1.00 42.35 H new ATOM 153 N VAL A 297 13.086 -5.153 26.245 1.00 14.23 N ATOM 154 CA VAL A 297 12.745 -3.792 26.643 1.00 21.13 C ATOM 155 C VAL A 297 12.728 -3.652 28.161 1.00 14.33 C ATOM 156 O VAL A 297 13.244 -2.679 28.711 1.00 3.23 O ATOM 157 CB VAL A 297 11.373 -3.370 26.084 1.00 65.21 C ATOM 158 CG1 VAL A 297 10.975 -2.004 26.620 1.00 44.50 C ATOM 159 CG2 VAL A 297 11.396 -3.369 24.563 1.00 63.42 C ATOM 0 H VAL A 297 12.328 -5.662 25.791 1.00 14.23 H new ATOM 0 HA VAL A 297 13.513 -3.139 26.229 1.00 21.13 H new ATOM 0 HB VAL A 297 10.627 -4.094 26.413 1.00 65.21 H new ATOM 0 HG11 VAL A 297 10.003 -1.723 26.214 1.00 44.50 H new ATOM 0 HG12 VAL A 297 10.916 -2.043 27.708 1.00 44.50 H new ATOM 0 HG13 VAL A 297 11.720 -1.266 26.323 1.00 44.50 H new ATOM 0 HG21 VAL A 297 10.419 -3.069 24.185 1.00 63.42 H new ATOM 0 HG22 VAL A 297 12.153 -2.668 24.211 1.00 63.42 H new ATOM 0 HG23 VAL A 297 11.633 -4.370 24.202 1.00 63.42 H new ATOM 169 N TYR A 298 12.130 -4.630 28.833 1.00 4.43 N ATOM 170 CA TYR A 298 12.044 -4.615 30.289 1.00 54.43 C ATOM 171 C TYR A 298 13.434 -4.621 30.917 1.00 14.15 C ATOM 172 O TYR A 298 13.716 -3.847 31.831 1.00 44.30 O ATOM 173 CB TYR A 298 11.242 -5.819 30.785 1.00 14.21 C ATOM 174 CG TYR A 298 10.516 -5.568 32.088 1.00 43.11 C ATOM 175 CD1 TYR A 298 11.214 -5.460 33.285 1.00 64.35 C ATOM 176 CD2 TYR A 298 9.133 -5.439 32.123 1.00 64.35 C ATOM 177 CE1 TYR A 298 10.556 -5.232 34.477 1.00 1.24 C ATOM 178 CE2 TYR A 298 8.467 -5.209 33.310 1.00 31.24 C ATOM 179 CZ TYR A 298 9.182 -5.106 34.485 1.00 25.51 C ATOM 180 OH TYR A 298 8.522 -4.879 35.671 1.00 41.23 O ATOM 0 H TYR A 298 11.698 -5.443 28.393 1.00 4.43 H new ATOM 0 HA TYR A 298 11.535 -3.699 30.589 1.00 54.43 H new ATOM 0 HB2 TYR A 298 10.516 -6.100 30.022 1.00 14.21 H new ATOM 0 HB3 TYR A 298 11.916 -6.667 30.912 1.00 14.21 H new ATOM 0 HD1 TYR A 298 12.290 -5.556 33.283 1.00 64.35 H new ATOM 0 HD2 TYR A 298 8.569 -5.520 31.205 1.00 64.35 H new ATOM 0 HE1 TYR A 298 11.114 -5.153 35.398 1.00 1.24 H new ATOM 0 HE2 TYR A 298 7.392 -5.110 33.319 1.00 31.24 H new ATOM 0 HH TYR A 298 9.067 -4.298 36.242 1.00 41.23 H new ATOM 190 N GLU A 299 14.297 -5.501 30.420 1.00 41.21 N ATOM 191 CA GLU A 299 15.658 -5.609 30.933 1.00 52.43 C ATOM 192 C GLU A 299 16.501 -4.414 30.494 1.00 33.41 C ATOM 193 O GLU A 299 17.534 -4.116 31.094 1.00 74.52 O ATOM 194 CB GLU A 299 16.306 -6.908 30.452 1.00 22.50 C ATOM 195 CG GLU A 299 15.624 -8.160 30.979 1.00 42.13 C ATOM 196 CD GLU A 299 16.613 -9.224 31.413 1.00 30.33 C ATOM 197 OE1 GLU A 299 17.143 -9.937 30.535 1.00 12.42 O ATOM 198 OE2 GLU A 299 16.857 -9.344 32.632 1.00 31.23 O ATOM 0 H GLU A 299 14.078 -6.149 29.663 1.00 41.21 H new ATOM 0 HA GLU A 299 15.609 -5.617 32.022 1.00 52.43 H new ATOM 0 HB2 GLU A 299 16.293 -6.929 29.362 1.00 22.50 H new ATOM 0 HB3 GLU A 299 17.352 -6.918 30.759 1.00 22.50 H new ATOM 0 HG2 GLU A 299 14.988 -7.895 31.823 1.00 42.13 H new ATOM 0 HG3 GLU A 299 14.973 -8.568 30.205 1.00 42.13 H new ATOM 205 N SER A 300 16.052 -3.735 29.443 1.00 1.05 N ATOM 206 CA SER A 300 16.766 -2.576 28.921 1.00 64.00 C ATOM 207 C SER A 300 16.252 -1.289 29.558 1.00 44.51 C ATOM 208 O SER A 300 16.450 -0.196 29.024 1.00 31.03 O ATOM 209 CB SER A 300 16.617 -2.501 27.400 1.00 33.23 C ATOM 210 OG SER A 300 17.457 -1.499 26.854 1.00 74.12 O ATOM 0 H SER A 300 15.198 -3.968 28.937 1.00 1.05 H new ATOM 0 HA SER A 300 17.821 -2.688 29.170 1.00 64.00 H new ATOM 0 HB2 SER A 300 16.864 -3.467 26.959 1.00 33.23 H new ATOM 0 HB3 SER A 300 15.579 -2.289 27.143 1.00 33.23 H new ATOM 0 HG SER A 300 17.395 -0.687 27.399 1.00 74.12 H new ATOM 216 N LEU A 301 15.592 -1.425 30.702 1.00 32.03 N ATOM 217 CA LEU A 301 15.048 -0.273 31.414 1.00 23.41 C ATOM 218 C LEU A 301 15.692 -0.130 32.789 1.00 2.33 C ATOM 219 O LEU A 301 16.262 -1.074 33.337 1.00 44.33 O ATOM 220 CB LEU A 301 13.532 -0.409 31.560 1.00 14.41 C ATOM 221 CG LEU A 301 12.687 0.447 30.615 1.00 4.42 C ATOM 222 CD1 LEU A 301 13.143 0.262 29.176 1.00 3.12 C ATOM 223 CD2 LEU A 301 11.212 0.103 30.758 1.00 61.41 C ATOM 0 H LEU A 301 15.420 -2.321 31.157 1.00 32.03 H new ATOM 0 HA LEU A 301 15.272 0.622 30.833 1.00 23.41 H new ATOM 0 HB2 LEU A 301 13.265 -1.455 31.408 1.00 14.41 H new ATOM 0 HB3 LEU A 301 13.262 -0.157 32.586 1.00 14.41 H new ATOM 0 HG LEU A 301 12.822 1.494 30.886 1.00 4.42 H new ATOM 0 HD11 LEU A 301 12.531 0.879 28.518 1.00 3.12 H new ATOM 0 HD12 LEU A 301 14.187 0.560 29.084 1.00 3.12 H new ATOM 0 HD13 LEU A 301 13.038 -0.785 28.893 1.00 3.12 H new ATOM 0 HD21 LEU A 301 10.626 0.722 30.078 1.00 61.41 H new ATOM 0 HD22 LEU A 301 11.058 -0.948 30.515 1.00 61.41 H new ATOM 0 HD23 LEU A 301 10.893 0.289 31.784 1.00 61.41 H new ATOM 235 N PRO A 302 15.598 1.079 33.364 1.00 64.24 N ATOM 236 CA PRO A 302 16.163 1.374 34.684 1.00 45.04 C ATOM 237 C PRO A 302 15.408 0.673 35.808 1.00 41.05 C ATOM 238 O PRO A 302 14.214 0.402 35.689 1.00 33.13 O ATOM 239 CB PRO A 302 16.011 2.892 34.803 1.00 45.50 C ATOM 240 CG PRO A 302 14.870 3.231 33.907 1.00 63.50 C ATOM 241 CD PRO A 302 14.933 2.250 32.769 1.00 71.03 C ATOM 0 HA PRO A 302 17.192 1.026 34.774 1.00 45.04 H new ATOM 0 HB2 PRO A 302 15.808 3.190 35.832 1.00 45.50 H new ATOM 0 HB3 PRO A 302 16.922 3.406 34.496 1.00 45.50 H new ATOM 0 HG2 PRO A 302 13.921 3.153 34.437 1.00 63.50 H new ATOM 0 HG3 PRO A 302 14.950 4.256 33.544 1.00 63.50 H new ATOM 0 HD2 PRO A 302 13.939 2.002 32.397 1.00 71.03 H new ATOM 0 HD3 PRO A 302 15.498 2.648 31.926 1.00 71.03 H new ATOM 249 N GLU A 303 16.113 0.383 36.897 1.00 54.10 N ATOM 250 CA GLU A 303 15.507 -0.287 38.042 1.00 52.13 C ATOM 251 C GLU A 303 14.171 0.356 38.404 1.00 72.52 C ATOM 252 O GLU A 303 13.223 -0.331 38.784 1.00 64.52 O ATOM 253 CB GLU A 303 16.450 -0.241 39.246 1.00 61.24 C ATOM 254 CG GLU A 303 16.236 -1.379 40.230 1.00 2.40 C ATOM 255 CD GLU A 303 17.537 -1.909 40.801 1.00 42.42 C ATOM 256 OE1 GLU A 303 18.155 -2.783 40.158 1.00 2.21 O ATOM 257 OE2 GLU A 303 17.937 -1.448 41.891 1.00 63.33 O ATOM 0 H GLU A 303 17.103 0.601 37.011 1.00 54.10 H new ATOM 0 HA GLU A 303 15.328 -1.327 37.769 1.00 52.13 H new ATOM 0 HB2 GLU A 303 17.480 -0.267 38.891 1.00 61.24 H new ATOM 0 HB3 GLU A 303 16.316 0.708 39.766 1.00 61.24 H new ATOM 0 HG2 GLU A 303 15.599 -1.035 41.045 1.00 2.40 H new ATOM 0 HG3 GLU A 303 15.705 -2.190 39.732 1.00 2.40 H new ATOM 264 N GLU A 304 14.105 1.678 38.283 1.00 33.21 N ATOM 265 CA GLU A 304 12.886 2.413 38.599 1.00 33.00 C ATOM 266 C GLU A 304 11.741 1.987 37.684 1.00 10.31 C ATOM 267 O GLU A 304 10.615 1.775 38.137 1.00 63.42 O ATOM 268 CB GLU A 304 13.124 3.919 38.469 1.00 33.14 C ATOM 269 CG GLU A 304 14.378 4.400 39.179 1.00 43.11 C ATOM 270 CD GLU A 304 14.507 5.911 39.176 1.00 33.04 C ATOM 271 OE1 GLU A 304 13.734 6.570 38.450 1.00 51.23 O ATOM 272 OE2 GLU A 304 15.379 6.434 39.900 1.00 3.03 O ATOM 0 H GLU A 304 14.880 2.261 37.969 1.00 33.21 H new ATOM 0 HA GLU A 304 12.610 2.183 39.628 1.00 33.00 H new ATOM 0 HB2 GLU A 304 13.193 4.178 37.412 1.00 33.14 H new ATOM 0 HB3 GLU A 304 12.262 4.451 38.872 1.00 33.14 H new ATOM 0 HG2 GLU A 304 14.368 4.042 40.208 1.00 43.11 H new ATOM 0 HG3 GLU A 304 15.253 3.963 38.698 1.00 43.11 H new ATOM 279 N LEU A 305 12.036 1.866 36.395 1.00 63.53 N ATOM 280 CA LEU A 305 11.033 1.466 35.414 1.00 33.23 C ATOM 281 C LEU A 305 10.561 0.038 35.670 1.00 75.05 C ATOM 282 O LEU A 305 9.362 -0.241 35.655 1.00 10.23 O ATOM 283 CB LEU A 305 11.600 1.582 33.998 1.00 14.23 C ATOM 284 CG LEU A 305 11.229 2.851 33.229 1.00 23.23 C ATOM 285 CD1 LEU A 305 9.775 2.801 32.786 1.00 3.44 C ATOM 286 CD2 LEU A 305 11.488 4.085 34.081 1.00 53.31 C ATOM 0 H LEU A 305 12.962 2.039 36.004 1.00 63.53 H new ATOM 0 HA LEU A 305 10.178 2.135 35.512 1.00 33.23 H new ATOM 0 HB2 LEU A 305 12.687 1.521 34.057 1.00 14.23 H new ATOM 0 HB3 LEU A 305 11.264 0.720 33.422 1.00 14.23 H new ATOM 0 HG LEU A 305 11.856 2.911 32.339 1.00 23.23 H new ATOM 0 HD11 LEU A 305 9.529 3.712 32.241 1.00 3.44 H new ATOM 0 HD12 LEU A 305 9.621 1.938 32.138 1.00 3.44 H new ATOM 0 HD13 LEU A 305 9.131 2.717 33.661 1.00 3.44 H new ATOM 0 HD21 LEU A 305 11.219 4.979 33.518 1.00 53.31 H new ATOM 0 HD22 LEU A 305 10.887 4.033 34.989 1.00 53.31 H new ATOM 0 HD23 LEU A 305 12.544 4.128 34.347 1.00 53.31 H new ATOM 298 N GLN A 306 11.511 -0.861 35.905 1.00 51.14 N ATOM 299 CA GLN A 306 11.191 -2.260 36.165 1.00 42.42 C ATOM 300 C GLN A 306 10.345 -2.399 37.426 1.00 60.21 C ATOM 301 O GLN A 306 9.432 -3.223 37.486 1.00 11.10 O ATOM 302 CB GLN A 306 12.474 -3.081 36.304 1.00 43.42 C ATOM 303 CG GLN A 306 13.239 -3.241 34.999 1.00 14.55 C ATOM 304 CD GLN A 306 14.120 -4.474 34.987 1.00 2.21 C ATOM 305 OE1 GLN A 306 13.875 -5.433 35.719 1.00 64.42 O ATOM 306 NE2 GLN A 306 15.153 -4.455 34.153 1.00 4.22 N ATOM 0 H GLN A 306 12.508 -0.646 35.921 1.00 51.14 H new ATOM 0 HA GLN A 306 10.616 -2.639 35.320 1.00 42.42 H new ATOM 0 HB2 GLN A 306 13.122 -2.605 37.039 1.00 43.42 H new ATOM 0 HB3 GLN A 306 12.223 -4.068 36.692 1.00 43.42 H new ATOM 0 HG2 GLN A 306 12.531 -3.297 34.172 1.00 14.55 H new ATOM 0 HG3 GLN A 306 13.855 -2.357 34.833 1.00 14.55 H new ATOM 0 HE21 GLN A 306 15.318 -3.639 33.564 1.00 4.22 H new ATOM 0 HE22 GLN A 306 15.781 -5.257 34.101 1.00 4.22 H new ATOM 315 N LYS A 307 10.654 -1.589 38.433 1.00 65.14 N ATOM 316 CA LYS A 307 9.923 -1.621 39.693 1.00 13.44 C ATOM 317 C LYS A 307 8.525 -1.034 39.526 1.00 75.33 C ATOM 318 O LYS A 307 7.575 -1.474 40.175 1.00 72.32 O ATOM 319 CB LYS A 307 10.686 -0.846 40.770 1.00 45.34 C ATOM 320 CG LYS A 307 10.069 0.502 41.102 1.00 25.22 C ATOM 321 CD LYS A 307 10.947 1.297 42.054 1.00 10.12 C ATOM 322 CE LYS A 307 10.123 1.971 43.141 1.00 72.52 C ATOM 323 NZ LYS A 307 10.984 2.619 44.168 1.00 12.12 N ATOM 0 H LYS A 307 11.407 -0.902 38.400 1.00 65.14 H new ATOM 0 HA LYS A 307 9.828 -2.662 40.002 1.00 13.44 H new ATOM 0 HB2 LYS A 307 10.730 -1.449 41.677 1.00 45.34 H new ATOM 0 HB3 LYS A 307 11.713 -0.694 40.438 1.00 45.34 H new ATOM 0 HG2 LYS A 307 9.918 1.070 40.184 1.00 25.22 H new ATOM 0 HG3 LYS A 307 9.086 0.353 41.550 1.00 25.22 H new ATOM 0 HD2 LYS A 307 11.682 0.635 42.511 1.00 10.12 H new ATOM 0 HD3 LYS A 307 11.501 2.051 41.495 1.00 10.12 H new ATOM 0 HE2 LYS A 307 9.470 2.718 42.691 1.00 72.52 H new ATOM 0 HE3 LYS A 307 9.480 1.233 43.620 1.00 72.52 H new ATOM 0 HZ1 LYS A 307 10.385 3.067 44.891 1.00 12.12 H new ATOM 0 HZ2 LYS A 307 11.590 1.902 44.616 1.00 12.12 H new ATOM 0 HZ3 LYS A 307 11.580 3.342 43.716 1.00 12.12 H new ATOM 337 N CYS A 308 8.405 -0.042 38.651 1.00 4.42 N ATOM 338 CA CYS A 308 7.122 0.604 38.398 1.00 43.41 C ATOM 339 C CYS A 308 6.155 -0.357 37.715 1.00 61.01 C ATOM 340 O CYS A 308 4.968 -0.395 38.040 1.00 41.15 O ATOM 341 CB CYS A 308 7.317 1.851 37.533 1.00 22.23 C ATOM 342 SG CYS A 308 6.005 3.082 37.707 1.00 0.55 S ATOM 0 H CYS A 308 9.181 0.333 38.105 1.00 4.42 H new ATOM 0 HA CYS A 308 6.696 0.899 39.357 1.00 43.41 H new ATOM 0 HB2 CYS A 308 8.270 2.313 37.790 1.00 22.23 H new ATOM 0 HB3 CYS A 308 7.381 1.549 36.488 1.00 22.23 H new ATOM 0 HG CYS A 308 6.003 3.545 38.922 1.00 0.55 H new ATOM 348 N PHE A 309 6.670 -1.132 36.766 1.00 3.21 N ATOM 349 CA PHE A 309 5.852 -2.092 36.035 1.00 52.22 C ATOM 350 C PHE A 309 5.391 -3.223 36.950 1.00 2.51 C ATOM 351 O PHE A 309 4.284 -3.742 36.805 1.00 44.43 O ATOM 352 CB PHE A 309 6.635 -2.665 34.852 1.00 72.02 C ATOM 353 CG PHE A 309 6.669 -1.754 33.658 1.00 73.53 C ATOM 354 CD1 PHE A 309 5.539 -1.049 33.276 1.00 41.40 C ATOM 355 CD2 PHE A 309 7.830 -1.604 32.917 1.00 2.15 C ATOM 356 CE1 PHE A 309 5.568 -0.211 32.177 1.00 15.22 C ATOM 357 CE2 PHE A 309 7.865 -0.767 31.818 1.00 73.01 C ATOM 358 CZ PHE A 309 6.732 -0.069 31.448 1.00 40.20 C ATOM 0 H PHE A 309 7.650 -1.114 36.485 1.00 3.21 H new ATOM 0 HA PHE A 309 4.972 -1.570 35.661 1.00 52.22 H new ATOM 0 HB2 PHE A 309 7.657 -2.873 35.169 1.00 72.02 H new ATOM 0 HB3 PHE A 309 6.192 -3.617 34.560 1.00 72.02 H new ATOM 0 HD1 PHE A 309 4.626 -1.155 33.843 1.00 41.40 H new ATOM 0 HD2 PHE A 309 8.719 -2.148 33.202 1.00 2.15 H new ATOM 0 HE1 PHE A 309 4.680 0.333 31.889 1.00 15.22 H new ATOM 0 HE2 PHE A 309 8.777 -0.659 31.249 1.00 73.01 H new ATOM 0 HZ PHE A 309 6.757 0.587 30.590 1.00 40.20 H new ATOM 368 N ASP A 310 6.249 -3.599 37.892 1.00 34.03 N ATOM 369 CA ASP A 310 5.931 -4.668 38.832 1.00 11.34 C ATOM 370 C ASP A 310 4.701 -4.313 39.663 1.00 64.10 C ATOM 371 O ASP A 310 3.871 -5.172 39.960 1.00 21.11 O ATOM 372 CB ASP A 310 7.123 -4.938 39.752 1.00 14.12 C ATOM 373 CG ASP A 310 7.392 -6.419 39.931 1.00 62.05 C ATOM 374 OD1 ASP A 310 6.604 -7.086 40.633 1.00 13.34 O ATOM 375 OD2 ASP A 310 8.391 -6.912 39.367 1.00 42.15 O ATOM 0 H ASP A 310 7.169 -3.180 38.025 1.00 34.03 H new ATOM 0 HA ASP A 310 5.712 -5.569 38.259 1.00 11.34 H new ATOM 0 HB2 ASP A 310 8.011 -4.457 39.342 1.00 14.12 H new ATOM 0 HB3 ASP A 310 6.937 -4.485 40.726 1.00 14.12 H new ATOM 380 N VAL A 311 4.592 -3.042 40.036 1.00 50.11 N ATOM 381 CA VAL A 311 3.464 -2.573 40.832 1.00 22.24 C ATOM 382 C VAL A 311 2.287 -2.188 39.944 1.00 35.12 C ATOM 383 O VAL A 311 1.341 -1.540 40.394 1.00 41.13 O ATOM 384 CB VAL A 311 3.855 -1.363 41.701 1.00 22.02 C ATOM 385 CG1 VAL A 311 4.810 -1.786 42.807 1.00 1.32 C ATOM 386 CG2 VAL A 311 4.471 -0.268 40.843 1.00 22.41 C ATOM 0 H VAL A 311 5.271 -2.319 39.800 1.00 50.11 H new ATOM 0 HA VAL A 311 3.170 -3.398 41.482 1.00 22.24 H new ATOM 0 HB VAL A 311 2.953 -0.965 42.166 1.00 22.02 H new ATOM 0 HG11 VAL A 311 5.075 -0.918 43.411 1.00 1.32 H new ATOM 0 HG12 VAL A 311 4.328 -2.533 43.438 1.00 1.32 H new ATOM 0 HG13 VAL A 311 5.712 -2.211 42.366 1.00 1.32 H new ATOM 0 HG21 VAL A 311 4.741 0.579 41.473 1.00 22.41 H new ATOM 0 HG22 VAL A 311 5.363 -0.652 40.349 1.00 22.41 H new ATOM 0 HG23 VAL A 311 3.750 0.054 40.092 1.00 22.41 H new ATOM 396 N LYS A 312 2.349 -2.592 38.680 1.00 44.42 N ATOM 397 CA LYS A 312 1.288 -2.291 37.727 1.00 73.24 C ATOM 398 C LYS A 312 0.681 -0.919 38.002 1.00 5.11 C ATOM 399 O LYS A 312 -0.505 -0.694 37.761 1.00 22.34 O ATOM 400 CB LYS A 312 0.198 -3.364 37.790 1.00 2.04 C ATOM 401 CG LYS A 312 0.558 -4.641 37.051 1.00 51.12 C ATOM 402 CD LYS A 312 -0.080 -5.859 37.698 1.00 2.22 C ATOM 403 CE LYS A 312 0.913 -6.609 38.573 1.00 51.01 C ATOM 404 NZ LYS A 312 2.017 -7.207 37.772 1.00 52.11 N ATOM 0 H LYS A 312 3.124 -3.129 38.292 1.00 44.42 H new ATOM 0 HA LYS A 312 1.724 -2.282 36.728 1.00 73.24 H new ATOM 0 HB2 LYS A 312 -0.005 -3.603 38.834 1.00 2.04 H new ATOM 0 HB3 LYS A 312 -0.723 -2.959 37.371 1.00 2.04 H new ATOM 0 HG2 LYS A 312 0.232 -4.566 36.014 1.00 51.12 H new ATOM 0 HG3 LYS A 312 1.641 -4.761 37.037 1.00 51.12 H new ATOM 0 HD2 LYS A 312 -0.934 -5.548 38.300 1.00 2.22 H new ATOM 0 HD3 LYS A 312 -0.461 -6.526 36.924 1.00 2.22 H new ATOM 0 HE2 LYS A 312 1.330 -5.928 39.315 1.00 51.01 H new ATOM 0 HE3 LYS A 312 0.393 -7.396 39.120 1.00 51.01 H new ATOM 0 HZ1 LYS A 312 2.391 -8.043 38.266 1.00 52.11 H new ATOM 0 HZ2 LYS A 312 1.655 -7.489 36.839 1.00 52.11 H new ATOM 0 HZ3 LYS A 312 2.777 -6.507 37.652 1.00 52.11 H new ATOM 418 N ASP A 313 1.503 -0.005 38.506 1.00 10.23 N ATOM 419 CA ASP A 313 1.048 1.347 38.812 1.00 60.41 C ATOM 420 C ASP A 313 1.351 2.296 37.657 1.00 53.11 C ATOM 421 O ASP A 313 2.362 2.999 37.666 1.00 74.23 O ATOM 422 CB ASP A 313 1.712 1.854 40.093 1.00 62.21 C ATOM 423 CG ASP A 313 0.988 3.045 40.688 1.00 14.02 C ATOM 424 OD1 ASP A 313 0.180 3.668 39.968 1.00 43.40 O ATOM 425 OD2 ASP A 313 1.228 3.354 41.874 1.00 5.51 O ATOM 0 H ASP A 313 2.487 -0.175 38.711 1.00 10.23 H new ATOM 0 HA ASP A 313 -0.031 1.316 38.960 1.00 60.41 H new ATOM 0 HB2 ASP A 313 1.743 1.048 40.826 1.00 62.21 H new ATOM 0 HB3 ASP A 313 2.744 2.130 39.879 1.00 62.21 H new ATOM 430 N VAL A 314 0.468 2.311 36.663 1.00 43.02 N ATOM 431 CA VAL A 314 0.641 3.174 35.500 1.00 32.13 C ATOM 432 C VAL A 314 0.720 4.640 35.911 1.00 31.10 C ATOM 433 O VAL A 314 1.500 5.410 35.351 1.00 74.22 O ATOM 434 CB VAL A 314 -0.511 2.996 34.493 1.00 21.42 C ATOM 435 CG1 VAL A 314 -0.216 3.749 33.205 1.00 5.02 C ATOM 436 CG2 VAL A 314 -0.750 1.520 34.214 1.00 34.52 C ATOM 0 H VAL A 314 -0.374 1.736 36.640 1.00 43.02 H new ATOM 0 HA VAL A 314 1.577 2.882 35.025 1.00 32.13 H new ATOM 0 HB VAL A 314 -1.419 3.412 34.929 1.00 21.42 H new ATOM 0 HG11 VAL A 314 -1.041 3.611 32.506 1.00 5.02 H new ATOM 0 HG12 VAL A 314 -0.098 4.810 33.423 1.00 5.02 H new ATOM 0 HG13 VAL A 314 0.703 3.366 32.762 1.00 5.02 H new ATOM 0 HG21 VAL A 314 -1.567 1.412 33.501 1.00 34.52 H new ATOM 0 HG22 VAL A 314 0.155 1.077 33.799 1.00 34.52 H new ATOM 0 HG23 VAL A 314 -1.010 1.012 35.143 1.00 34.52 H new ATOM 446 N GLN A 315 -0.092 5.018 36.893 1.00 53.43 N ATOM 447 CA GLN A 315 -0.114 6.393 37.378 1.00 0.13 C ATOM 448 C GLN A 315 1.275 6.833 37.831 1.00 74.43 C ATOM 449 O GLN A 315 1.705 7.950 37.548 1.00 42.24 O ATOM 450 CB GLN A 315 -1.107 6.533 38.533 1.00 35.31 C ATOM 451 CG GLN A 315 -2.481 5.959 38.226 1.00 32.45 C ATOM 452 CD GLN A 315 -3.595 6.693 38.946 1.00 2.44 C ATOM 453 OE1 GLN A 315 -3.832 6.474 40.135 1.00 52.04 O ATOM 454 NE2 GLN A 315 -4.285 7.572 38.229 1.00 51.10 N ATOM 0 H GLN A 315 -0.743 4.392 37.368 1.00 53.43 H new ATOM 0 HA GLN A 315 -0.429 7.036 36.556 1.00 0.13 H new ATOM 0 HB2 GLN A 315 -0.702 6.033 39.413 1.00 35.31 H new ATOM 0 HB3 GLN A 315 -1.211 7.588 38.786 1.00 35.31 H new ATOM 0 HG2 GLN A 315 -2.657 6.004 37.151 1.00 32.45 H new ATOM 0 HG3 GLN A 315 -2.502 4.907 38.509 1.00 32.45 H new ATOM 0 HE21 GLN A 315 -4.055 7.722 37.247 1.00 51.10 H new ATOM 0 HE22 GLN A 315 -5.045 8.097 38.660 1.00 51.10 H new ATOM 463 N MET A 316 1.970 5.946 38.535 1.00 2.12 N ATOM 464 CA MET A 316 3.311 6.243 39.026 1.00 50.10 C ATOM 465 C MET A 316 4.298 6.369 37.870 1.00 72.44 C ATOM 466 O MET A 316 5.214 7.191 37.908 1.00 21.25 O ATOM 467 CB MET A 316 3.776 5.153 39.993 1.00 65.21 C ATOM 468 CG MET A 316 4.810 5.633 40.999 1.00 41.24 C ATOM 469 SD MET A 316 6.361 4.721 40.890 1.00 23.51 S ATOM 470 CE MET A 316 7.258 5.716 39.701 1.00 15.11 C ATOM 0 H MET A 316 1.628 5.017 38.778 1.00 2.12 H new ATOM 0 HA MET A 316 3.275 7.196 39.554 1.00 50.10 H new ATOM 0 HB2 MET A 316 2.912 4.763 40.531 1.00 65.21 H new ATOM 0 HB3 MET A 316 4.195 4.326 39.420 1.00 65.21 H new ATOM 0 HG2 MET A 316 5.004 6.693 40.837 1.00 41.24 H new ATOM 0 HG3 MET A 316 4.405 5.534 42.006 1.00 41.24 H new ATOM 0 HE1 MET A 316 8.296 5.386 39.660 1.00 15.11 H new ATOM 0 HE2 MET A 316 6.803 5.605 38.717 1.00 15.11 H new ATOM 0 HE3 MET A 316 7.222 6.763 40.002 1.00 15.11 H new ATOM 480 N LEU A 317 4.105 5.549 36.842 1.00 23.10 N ATOM 481 CA LEU A 317 4.979 5.568 35.674 1.00 40.21 C ATOM 482 C LEU A 317 4.874 6.900 34.937 1.00 23.25 C ATOM 483 O LEU A 317 5.884 7.480 34.539 1.00 12.13 O ATOM 484 CB LEU A 317 4.624 4.420 34.728 1.00 73.11 C ATOM 485 CG LEU A 317 5.416 4.357 33.421 1.00 13.13 C ATOM 486 CD1 LEU A 317 6.855 3.945 33.689 1.00 50.22 C ATOM 487 CD2 LEU A 317 4.757 3.395 32.444 1.00 55.02 C ATOM 0 H LEU A 317 3.351 4.863 36.794 1.00 23.10 H new ATOM 0 HA LEU A 317 6.006 5.443 36.017 1.00 40.21 H new ATOM 0 HB2 LEU A 317 4.766 3.480 35.261 1.00 73.11 H new ATOM 0 HB3 LEU A 317 3.564 4.492 34.484 1.00 73.11 H new ATOM 0 HG LEU A 317 5.421 5.351 32.973 1.00 13.13 H new ATOM 0 HD11 LEU A 317 7.403 3.905 32.748 1.00 50.22 H new ATOM 0 HD12 LEU A 317 7.324 4.672 34.352 1.00 50.22 H new ATOM 0 HD13 LEU A 317 6.870 2.962 34.159 1.00 50.22 H new ATOM 0 HD21 LEU A 317 5.334 3.363 31.520 1.00 55.02 H new ATOM 0 HD22 LEU A 317 4.720 2.398 32.884 1.00 55.02 H new ATOM 0 HD23 LEU A 317 3.744 3.734 32.228 1.00 55.02 H new ATOM 499 N GLN A 318 3.647 7.378 34.762 1.00 12.43 N ATOM 500 CA GLN A 318 3.411 8.643 34.075 1.00 21.42 C ATOM 501 C GLN A 318 4.055 9.801 34.830 1.00 63.21 C ATOM 502 O GLN A 318 4.506 10.774 34.226 1.00 54.43 O ATOM 503 CB GLN A 318 1.910 8.891 33.921 1.00 53.33 C ATOM 504 CG GLN A 318 1.228 7.923 32.967 1.00 13.43 C ATOM 505 CD GLN A 318 -0.172 8.365 32.590 1.00 54.44 C ATOM 506 OE1 GLN A 318 -0.352 9.244 31.746 1.00 0.31 O ATOM 507 NE2 GLN A 318 -1.174 7.757 33.214 1.00 72.35 N ATOM 0 H GLN A 318 2.801 6.909 35.086 1.00 12.43 H new ATOM 0 HA GLN A 318 3.865 8.581 33.086 1.00 21.42 H new ATOM 0 HB2 GLN A 318 1.436 8.818 34.900 1.00 53.33 H new ATOM 0 HB3 GLN A 318 1.753 9.909 33.566 1.00 53.33 H new ATOM 0 HG2 GLN A 318 1.830 7.825 32.063 1.00 13.43 H new ATOM 0 HG3 GLN A 318 1.182 6.936 33.428 1.00 13.43 H new ATOM 0 HE21 GLN A 318 -0.980 7.034 33.907 1.00 72.35 H new ATOM 0 HE22 GLN A 318 -2.138 8.013 33.001 1.00 72.35 H new ATOM 516 N ASP A 319 4.095 9.689 36.153 1.00 64.40 N ATOM 517 CA ASP A 319 4.685 10.726 36.991 1.00 42.42 C ATOM 518 C ASP A 319 6.186 10.840 36.739 1.00 15.23 C ATOM 519 O ASP A 319 6.739 11.939 36.714 1.00 10.12 O ATOM 520 CB ASP A 319 4.424 10.429 38.468 1.00 23.41 C ATOM 521 CG ASP A 319 3.841 11.619 39.204 1.00 21.44 C ATOM 522 OD1 ASP A 319 2.796 12.137 38.759 1.00 3.41 O ATOM 523 OD2 ASP A 319 4.430 12.032 40.225 1.00 21.25 O ATOM 0 H ASP A 319 3.726 8.890 36.668 1.00 64.40 H new ATOM 0 HA ASP A 319 4.218 11.676 36.732 1.00 42.42 H new ATOM 0 HB2 ASP A 319 3.740 9.584 38.550 1.00 23.41 H new ATOM 0 HB3 ASP A 319 5.357 10.132 38.946 1.00 23.41 H new ATOM 528 N ALA A 320 6.838 9.697 36.555 1.00 52.12 N ATOM 529 CA ALA A 320 8.274 9.669 36.305 1.00 75.35 C ATOM 530 C ALA A 320 8.610 10.313 34.964 1.00 70.31 C ATOM 531 O ALA A 320 9.673 10.913 34.802 1.00 22.44 O ATOM 532 CB ALA A 320 8.789 8.238 36.349 1.00 73.31 C ATOM 0 H ALA A 320 6.395 8.778 36.574 1.00 52.12 H new ATOM 0 HA ALA A 320 8.766 10.245 37.089 1.00 75.35 H new ATOM 0 HB1 ALA A 320 9.863 8.232 36.161 1.00 73.31 H new ATOM 0 HB2 ALA A 320 8.590 7.810 37.332 1.00 73.31 H new ATOM 0 HB3 ALA A 320 8.283 7.646 35.586 1.00 73.31 H new ATOM 538 N ILE A 321 7.699 10.184 34.006 1.00 74.03 N ATOM 539 CA ILE A 321 7.900 10.754 32.679 1.00 15.14 C ATOM 540 C ILE A 321 7.838 12.277 32.721 1.00 54.24 C ATOM 541 O ILE A 321 8.599 12.959 32.034 1.00 23.54 O ATOM 542 CB ILE A 321 6.850 10.236 31.679 1.00 73.22 C ATOM 543 CG1 ILE A 321 6.891 8.708 31.609 1.00 73.12 C ATOM 544 CG2 ILE A 321 7.085 10.841 30.303 1.00 63.11 C ATOM 545 CD1 ILE A 321 8.270 8.152 31.332 1.00 2.52 C ATOM 0 H ILE A 321 6.814 9.690 34.123 1.00 74.03 H new ATOM 0 HA ILE A 321 8.890 10.442 32.347 1.00 15.14 H new ATOM 0 HB ILE A 321 5.861 10.539 32.023 1.00 73.22 H new ATOM 0 HG12 ILE A 321 6.526 8.299 32.551 1.00 73.12 H new ATOM 0 HG13 ILE A 321 6.209 8.370 30.829 1.00 73.12 H new ATOM 0 HG21 ILE A 321 6.335 10.465 29.607 1.00 63.11 H new ATOM 0 HG22 ILE A 321 7.010 11.927 30.365 1.00 63.11 H new ATOM 0 HG23 ILE A 321 8.078 10.565 29.949 1.00 63.11 H new ATOM 0 HD11 ILE A 321 8.223 7.064 31.296 1.00 2.52 H new ATOM 0 HD12 ILE A 321 8.630 8.531 30.376 1.00 2.52 H new ATOM 0 HD13 ILE A 321 8.952 8.460 32.124 1.00 2.52 H new ATOM 557 N SER A 322 6.926 12.805 33.531 1.00 4.35 N ATOM 558 CA SER A 322 6.763 14.248 33.661 1.00 3.54 C ATOM 559 C SER A 322 8.074 14.908 34.080 1.00 71.20 C ATOM 560 O SER A 322 8.313 16.080 33.791 1.00 42.42 O ATOM 561 CB SER A 322 5.669 14.570 34.681 1.00 22.45 C ATOM 562 OG SER A 322 5.441 15.966 34.762 1.00 21.12 O ATOM 0 H SER A 322 6.289 12.255 34.107 1.00 4.35 H new ATOM 0 HA SER A 322 6.471 14.644 32.688 1.00 3.54 H new ATOM 0 HB2 SER A 322 4.746 14.063 34.400 1.00 22.45 H new ATOM 0 HB3 SER A 322 5.957 14.188 35.660 1.00 22.45 H new ATOM 0 HG SER A 322 4.737 16.145 35.419 1.00 21.12 H new ATOM 568 N LYS A 323 8.921 14.145 34.763 1.00 15.24 N ATOM 569 CA LYS A 323 10.208 14.652 35.222 1.00 4.12 C ATOM 570 C LYS A 323 11.284 14.445 34.161 1.00 61.31 C ATOM 571 O LYS A 323 12.191 15.264 34.015 1.00 73.04 O ATOM 572 CB LYS A 323 10.619 13.958 36.523 1.00 62.45 C ATOM 573 CG LYS A 323 9.442 13.495 37.363 1.00 11.13 C ATOM 574 CD LYS A 323 9.895 12.642 38.536 1.00 2.45 C ATOM 575 CE LYS A 323 9.354 13.174 39.854 1.00 15.54 C ATOM 576 NZ LYS A 323 9.752 12.317 41.005 1.00 62.24 N ATOM 0 H LYS A 323 8.739 13.173 35.011 1.00 15.24 H new ATOM 0 HA LYS A 323 10.104 15.721 35.405 1.00 4.12 H new ATOM 0 HB2 LYS A 323 11.245 13.098 36.284 1.00 62.45 H new ATOM 0 HB3 LYS A 323 11.229 14.642 37.113 1.00 62.45 H new ATOM 0 HG2 LYS A 323 8.894 14.362 37.733 1.00 11.13 H new ATOM 0 HG3 LYS A 323 8.753 12.924 36.741 1.00 11.13 H new ATOM 0 HD2 LYS A 323 9.559 11.615 38.392 1.00 2.45 H new ATOM 0 HD3 LYS A 323 10.984 12.619 38.571 1.00 2.45 H new ATOM 0 HE2 LYS A 323 9.720 14.188 40.013 1.00 15.54 H new ATOM 0 HE3 LYS A 323 8.267 13.231 39.803 1.00 15.54 H new ATOM 0 HZ1 LYS A 323 9.363 12.714 41.884 1.00 62.24 H new ATOM 0 HZ2 LYS A 323 9.382 11.355 40.866 1.00 62.24 H new ATOM 0 HZ3 LYS A 323 10.789 12.282 41.070 1.00 62.24 H new ATOM 590 N MET A 324 11.176 13.345 33.422 1.00 10.22 N ATOM 591 CA MET A 324 12.139 13.033 32.372 1.00 33.33 C ATOM 592 C MET A 324 11.923 13.925 31.154 1.00 63.10 C ATOM 593 O MET A 324 10.916 14.626 31.057 1.00 71.14 O ATOM 594 CB MET A 324 12.025 11.562 31.968 1.00 20.51 C ATOM 595 CG MET A 324 12.850 10.627 32.838 1.00 34.22 C ATOM 596 SD MET A 324 14.500 10.335 32.174 1.00 61.32 S ATOM 597 CE MET A 324 14.317 8.673 31.531 1.00 22.10 C ATOM 0 H MET A 324 10.432 12.656 33.531 1.00 10.22 H new ATOM 0 HA MET A 324 13.139 13.219 32.763 1.00 33.33 H new ATOM 0 HB2 MET A 324 10.979 11.261 32.016 1.00 20.51 H new ATOM 0 HB3 MET A 324 12.341 11.453 30.931 1.00 20.51 H new ATOM 0 HG2 MET A 324 12.935 11.049 33.839 1.00 34.22 H new ATOM 0 HG3 MET A 324 12.329 9.675 32.937 1.00 34.22 H new ATOM 0 HE1 MET A 324 15.258 8.349 31.086 1.00 22.10 H new ATOM 0 HE2 MET A 324 14.048 7.997 32.342 1.00 22.10 H new ATOM 0 HE3 MET A 324 13.534 8.660 30.773 1.00 22.10 H new ATOM 607 N ASP A 325 12.875 13.894 30.228 1.00 23.00 N ATOM 608 CA ASP A 325 12.789 14.700 29.015 1.00 30.45 C ATOM 609 C ASP A 325 11.718 14.154 28.076 1.00 12.50 C ATOM 610 O ASP A 325 11.286 13.007 28.186 1.00 24.42 O ATOM 611 CB ASP A 325 14.142 14.733 28.302 1.00 34.33 C ATOM 612 CG ASP A 325 14.914 16.006 28.585 1.00 2.01 C ATOM 613 OD1 ASP A 325 14.292 17.089 28.590 1.00 43.24 O ATOM 614 OD2 ASP A 325 16.141 15.919 28.803 1.00 54.42 O ATOM 0 H ASP A 325 13.715 13.320 30.294 1.00 23.00 H new ATOM 0 HA ASP A 325 12.513 15.715 29.301 1.00 30.45 H new ATOM 0 HB2 ASP A 325 14.736 13.874 28.615 1.00 34.33 H new ATOM 0 HB3 ASP A 325 13.986 14.637 27.228 1.00 34.33 H new ATOM 619 N PRO A 326 11.276 14.996 27.130 1.00 43.24 N ATOM 620 CA PRO A 326 10.250 14.621 26.153 1.00 73.11 C ATOM 621 C PRO A 326 10.757 13.596 25.144 1.00 55.44 C ATOM 622 O PRO A 326 10.044 12.659 24.783 1.00 21.32 O ATOM 623 CB PRO A 326 9.924 15.944 25.455 1.00 61.44 C ATOM 624 CG PRO A 326 11.154 16.769 25.613 1.00 23.44 C ATOM 625 CD PRO A 326 11.746 16.379 26.940 1.00 71.13 C ATOM 0 HA PRO A 326 9.389 14.150 26.627 1.00 73.11 H new ATOM 0 HB2 PRO A 326 9.684 15.788 24.403 1.00 61.44 H new ATOM 0 HB3 PRO A 326 9.061 16.429 25.910 1.00 61.44 H new ATOM 0 HG2 PRO A 326 11.857 16.581 24.802 1.00 23.44 H new ATOM 0 HG3 PRO A 326 10.916 17.833 25.589 1.00 23.44 H new ATOM 0 HD2 PRO A 326 12.834 16.435 26.927 1.00 71.13 H new ATOM 0 HD3 PRO A 326 11.403 17.034 27.741 1.00 71.13 H new ATOM 633 N THR A 327 11.993 13.780 24.690 1.00 13.52 N ATOM 634 CA THR A 327 12.595 12.873 23.722 1.00 73.31 C ATOM 635 C THR A 327 12.833 11.496 24.333 1.00 55.45 C ATOM 636 O THR A 327 12.586 10.473 23.694 1.00 20.35 O ATOM 637 CB THR A 327 13.931 13.424 23.191 1.00 63.05 C ATOM 638 OG1 THR A 327 13.998 14.838 23.406 1.00 43.11 O ATOM 639 CG2 THR A 327 14.089 13.124 21.708 1.00 62.34 C ATOM 0 H THR A 327 12.597 14.550 24.978 1.00 13.52 H new ATOM 0 HA THR A 327 11.893 12.784 22.893 1.00 73.31 H new ATOM 0 HB THR A 327 14.741 12.936 23.733 1.00 63.05 H new ATOM 0 HG1 THR A 327 14.851 15.180 23.067 1.00 43.11 H new ATOM 0 HG21 THR A 327 15.040 13.523 21.355 1.00 62.34 H new ATOM 0 HG22 THR A 327 14.067 12.046 21.551 1.00 62.34 H new ATOM 0 HG23 THR A 327 13.273 13.588 21.154 1.00 62.34 H new ATOM 647 N ASP A 328 13.312 11.479 25.571 1.00 30.12 N ATOM 648 CA ASP A 328 13.581 10.227 26.269 1.00 5.12 C ATOM 649 C ASP A 328 12.285 9.477 26.560 1.00 2.22 C ATOM 650 O ASP A 328 12.233 8.251 26.473 1.00 61.21 O ATOM 651 CB ASP A 328 14.333 10.497 27.574 1.00 51.23 C ATOM 652 CG ASP A 328 15.549 9.607 27.736 1.00 31.34 C ATOM 653 OD1 ASP A 328 15.392 8.369 27.672 1.00 54.33 O ATOM 654 OD2 ASP A 328 16.658 10.147 27.928 1.00 41.13 O ATOM 0 H ASP A 328 13.522 12.318 26.112 1.00 30.12 H new ATOM 0 HA ASP A 328 14.201 9.606 25.623 1.00 5.12 H new ATOM 0 HB2 ASP A 328 14.644 11.541 27.601 1.00 51.23 H new ATOM 0 HB3 ASP A 328 13.659 10.343 28.417 1.00 51.23 H new ATOM 659 N ALA A 329 11.241 10.223 26.907 1.00 24.13 N ATOM 660 CA ALA A 329 9.945 9.629 27.210 1.00 23.14 C ATOM 661 C ALA A 329 9.345 8.962 25.977 1.00 2.13 C ATOM 662 O ALA A 329 8.788 7.867 26.060 1.00 42.24 O ATOM 663 CB ALA A 329 8.996 10.685 27.757 1.00 74.24 C ATOM 0 H ALA A 329 11.268 11.240 26.985 1.00 24.13 H new ATOM 0 HA ALA A 329 10.093 8.861 27.969 1.00 23.14 H new ATOM 0 HB1 ALA A 329 8.032 10.228 27.979 1.00 74.24 H new ATOM 0 HB2 ALA A 329 9.414 11.112 28.669 1.00 74.24 H new ATOM 0 HB3 ALA A 329 8.862 11.473 27.016 1.00 74.24 H new ATOM 669 N LYS A 330 9.461 9.629 24.834 1.00 5.21 N ATOM 670 CA LYS A 330 8.931 9.102 23.582 1.00 22.35 C ATOM 671 C LYS A 330 9.626 7.798 23.204 1.00 63.24 C ATOM 672 O LYS A 330 9.006 6.891 22.648 1.00 32.13 O ATOM 673 CB LYS A 330 9.102 10.128 22.460 1.00 75.32 C ATOM 674 CG LYS A 330 8.686 9.609 21.094 1.00 45.21 C ATOM 675 CD LYS A 330 8.823 10.681 20.025 1.00 22.14 C ATOM 676 CE LYS A 330 7.522 11.445 19.833 1.00 62.14 C ATOM 677 NZ LYS A 330 6.548 10.682 19.004 1.00 65.23 N ATOM 0 H LYS A 330 9.918 10.537 24.749 1.00 5.21 H new ATOM 0 HA LYS A 330 7.869 8.900 23.722 1.00 22.35 H new ATOM 0 HB2 LYS A 330 8.514 11.015 22.697 1.00 75.32 H new ATOM 0 HB3 LYS A 330 10.146 10.439 22.419 1.00 75.32 H new ATOM 0 HG2 LYS A 330 9.300 8.748 20.828 1.00 45.21 H new ATOM 0 HG3 LYS A 330 7.653 9.264 21.134 1.00 45.21 H new ATOM 0 HD2 LYS A 330 9.616 11.375 20.303 1.00 22.14 H new ATOM 0 HD3 LYS A 330 9.119 10.221 19.082 1.00 22.14 H new ATOM 0 HE2 LYS A 330 7.080 11.661 20.806 1.00 62.14 H new ATOM 0 HE3 LYS A 330 7.730 12.404 19.358 1.00 62.14 H new ATOM 0 HZ1 LYS A 330 5.675 11.236 18.896 1.00 65.23 H new ATOM 0 HZ2 LYS A 330 6.959 10.498 18.067 1.00 65.23 H new ATOM 0 HZ3 LYS A 330 6.329 9.778 19.469 1.00 65.23 H new ATOM 691 N TYR A 331 10.916 7.710 23.508 1.00 2.45 N ATOM 692 CA TYR A 331 11.696 6.518 23.199 1.00 75.51 C ATOM 693 C TYR A 331 11.249 5.337 24.056 1.00 11.33 C ATOM 694 O TYR A 331 11.092 4.220 23.562 1.00 14.24 O ATOM 695 CB TYR A 331 13.186 6.786 23.417 1.00 74.51 C ATOM 696 CG TYR A 331 14.024 5.529 23.482 1.00 33.22 C ATOM 697 CD1 TYR A 331 14.133 4.685 22.384 1.00 44.22 C ATOM 698 CD2 TYR A 331 14.707 5.186 24.643 1.00 73.54 C ATOM 699 CE1 TYR A 331 14.897 3.536 22.440 1.00 63.44 C ATOM 700 CE2 TYR A 331 15.474 4.039 24.707 1.00 63.41 C ATOM 701 CZ TYR A 331 15.566 3.217 23.603 1.00 30.31 C ATOM 702 OH TYR A 331 16.329 2.073 23.662 1.00 2.21 O ATOM 0 H TYR A 331 11.444 8.451 23.969 1.00 2.45 H new ATOM 0 HA TYR A 331 11.529 6.267 22.151 1.00 75.51 H new ATOM 0 HB2 TYR A 331 13.555 7.417 22.609 1.00 74.51 H new ATOM 0 HB3 TYR A 331 13.314 7.346 24.343 1.00 74.51 H new ATOM 0 HD1 TYR A 331 13.611 4.932 21.471 1.00 44.22 H new ATOM 0 HD2 TYR A 331 14.637 5.827 25.509 1.00 73.54 H new ATOM 0 HE1 TYR A 331 14.970 2.890 21.577 1.00 63.44 H new ATOM 0 HE2 TYR A 331 15.999 3.787 25.617 1.00 63.41 H new ATOM 0 HH TYR A 331 16.734 1.996 24.551 1.00 2.21 H new ATOM 712 N HIS A 332 11.045 5.594 25.345 1.00 63.34 N ATOM 713 CA HIS A 332 10.615 4.554 26.272 1.00 22.35 C ATOM 714 C HIS A 332 9.240 4.018 25.888 1.00 74.51 C ATOM 715 O HIS A 332 9.020 2.807 25.860 1.00 23.15 O ATOM 716 CB HIS A 332 10.582 5.097 27.701 1.00 5.12 C ATOM 717 CG HIS A 332 9.743 4.280 28.634 1.00 73.31 C ATOM 718 ND1 HIS A 332 8.712 4.811 29.379 1.00 35.15 N ATOM 719 CD2 HIS A 332 9.785 2.962 28.938 1.00 20.54 C ATOM 720 CE1 HIS A 332 8.157 3.855 30.104 1.00 40.24 C ATOM 721 NE2 HIS A 332 8.790 2.723 29.854 1.00 73.01 N ATOM 0 H HIS A 332 11.171 6.513 25.770 1.00 63.34 H new ATOM 0 HA HIS A 332 11.333 3.735 26.218 1.00 22.35 H new ATOM 0 HB2 HIS A 332 11.600 5.142 28.087 1.00 5.12 H new ATOM 0 HB3 HIS A 332 10.202 6.118 27.684 1.00 5.12 H new ATOM 0 HD1 HIS A 332 8.422 5.789 29.372 1.00 35.15 H new ATOM 0 HD2 HIS A 332 10.473 2.234 28.535 1.00 20.54 H new ATOM 0 HE1 HIS A 332 7.328 3.978 30.785 1.00 40.24 H new ATOM 729 N MET A 333 8.317 4.927 25.592 1.00 13.15 N ATOM 730 CA MET A 333 6.963 4.545 25.209 1.00 34.32 C ATOM 731 C MET A 333 6.964 3.803 23.876 1.00 31.34 C ATOM 732 O MET A 333 6.232 2.830 23.698 1.00 70.34 O ATOM 733 CB MET A 333 6.067 5.782 25.117 1.00 63.24 C ATOM 734 CG MET A 333 5.694 6.364 26.470 1.00 11.30 C ATOM 735 SD MET A 333 4.811 7.930 26.332 1.00 14.34 S ATOM 736 CE MET A 333 4.935 8.538 28.013 1.00 42.04 C ATOM 0 H MET A 333 8.482 5.933 25.610 1.00 13.15 H new ATOM 0 HA MET A 333 6.570 3.878 25.976 1.00 34.32 H new ATOM 0 HB2 MET A 333 6.576 6.546 24.530 1.00 63.24 H new ATOM 0 HB3 MET A 333 5.156 5.521 24.579 1.00 63.24 H new ATOM 0 HG2 MET A 333 5.075 5.648 27.011 1.00 11.30 H new ATOM 0 HG3 MET A 333 6.599 6.512 27.060 1.00 11.30 H new ATOM 0 HE1 MET A 333 4.529 9.548 28.065 1.00 42.04 H new ATOM 0 HE2 MET A 333 4.371 7.885 28.679 1.00 42.04 H new ATOM 0 HE3 MET A 333 5.981 8.551 28.319 1.00 42.04 H new ATOM 746 N GLN A 334 7.790 4.269 22.945 1.00 12.13 N ATOM 747 CA GLN A 334 7.884 3.649 21.629 1.00 43.21 C ATOM 748 C GLN A 334 8.356 2.203 21.741 1.00 43.33 C ATOM 749 O GLN A 334 7.922 1.338 20.981 1.00 73.24 O ATOM 750 CB GLN A 334 8.840 4.442 20.736 1.00 53.52 C ATOM 751 CG GLN A 334 8.149 5.510 19.903 1.00 12.31 C ATOM 752 CD GLN A 334 7.074 4.941 18.999 1.00 34.51 C ATOM 753 OE1 GLN A 334 5.971 5.481 18.909 1.00 11.24 O ATOM 754 NE2 GLN A 334 7.389 3.842 18.322 1.00 4.54 N ATOM 0 H GLN A 334 8.403 5.073 23.078 1.00 12.13 H new ATOM 0 HA GLN A 334 6.890 3.654 21.181 1.00 43.21 H new ATOM 0 HB2 GLN A 334 9.599 4.914 21.360 1.00 53.52 H new ATOM 0 HB3 GLN A 334 9.358 3.752 20.070 1.00 53.52 H new ATOM 0 HG2 GLN A 334 7.705 6.252 20.567 1.00 12.31 H new ATOM 0 HG3 GLN A 334 8.891 6.029 19.296 1.00 12.31 H new ATOM 0 HE21 GLN A 334 8.315 3.427 18.426 1.00 4.54 H new ATOM 0 HE22 GLN A 334 6.705 3.414 17.698 1.00 4.54 H new ATOM 763 N ARG A 335 9.248 1.949 22.693 1.00 42.14 N ATOM 764 CA ARG A 335 9.780 0.608 22.902 1.00 4.15 C ATOM 765 C ARG A 335 8.710 -0.319 23.472 1.00 41.42 C ATOM 766 O ARG A 335 8.584 -1.470 23.052 1.00 43.52 O ATOM 767 CB ARG A 335 10.983 0.656 23.846 1.00 24.23 C ATOM 768 CG ARG A 335 12.238 1.227 23.206 1.00 71.03 C ATOM 769 CD ARG A 335 12.618 0.463 21.947 1.00 21.32 C ATOM 770 NE ARG A 335 14.060 0.475 21.714 1.00 52.11 N ATOM 771 CZ ARG A 335 14.914 -0.316 22.353 1.00 5.21 C ATOM 772 NH1 ARG A 335 14.475 -1.178 23.259 1.00 15.35 N ATOM 773 NH2 ARG A 335 16.212 -0.246 22.086 1.00 43.23 N ATOM 0 H ARG A 335 9.617 2.654 23.331 1.00 42.14 H new ATOM 0 HA ARG A 335 10.099 0.216 21.936 1.00 4.15 H new ATOM 0 HB2 ARG A 335 10.725 1.256 24.719 1.00 24.23 H new ATOM 0 HB3 ARG A 335 11.194 -0.352 24.203 1.00 24.23 H new ATOM 0 HG2 ARG A 335 12.078 2.277 22.961 1.00 71.03 H new ATOM 0 HG3 ARG A 335 13.061 1.188 23.919 1.00 71.03 H new ATOM 0 HD2 ARG A 335 12.273 -0.568 22.030 1.00 21.32 H new ATOM 0 HD3 ARG A 335 12.108 0.902 21.089 1.00 21.32 H new ATOM 0 HE ARG A 335 14.431 1.127 21.023 1.00 52.11 H new ATOM 0 HH11 ARG A 335 13.478 -1.235 23.467 1.00 15.35 H new ATOM 0 HH12 ARG A 335 15.134 -1.784 23.748 1.00 15.35 H new ATOM 0 HH21 ARG A 335 16.554 0.416 21.389 1.00 43.23 H new ATOM 0 HH22 ARG A 335 16.867 -0.854 22.577 1.00 43.23 H new ATOM 787 N CYS A 336 7.943 0.190 24.429 1.00 13.40 N ATOM 788 CA CYS A 336 6.884 -0.592 25.057 1.00 11.12 C ATOM 789 C CYS A 336 5.785 -0.925 24.053 1.00 63.01 C ATOM 790 O CYS A 336 5.165 -1.986 24.126 1.00 21.21 O ATOM 791 CB CYS A 336 6.293 0.171 26.244 1.00 51.04 C ATOM 792 SG CYS A 336 7.509 0.651 27.492 1.00 3.32 S ATOM 0 H CYS A 336 8.034 1.141 24.787 1.00 13.40 H new ATOM 0 HA CYS A 336 7.319 -1.525 25.415 1.00 11.12 H new ATOM 0 HB2 CYS A 336 5.795 1.067 25.874 1.00 51.04 H new ATOM 0 HB3 CYS A 336 5.529 -0.447 26.715 1.00 51.04 H new ATOM 0 HG CYS A 336 8.282 1.578 27.010 1.00 3.32 H new ATOM 798 N ILE A 337 5.549 -0.011 23.118 1.00 62.44 N ATOM 799 CA ILE A 337 4.525 -0.208 22.099 1.00 20.33 C ATOM 800 C ILE A 337 4.913 -1.327 21.139 1.00 72.42 C ATOM 801 O ILE A 337 4.126 -2.239 20.881 1.00 0.42 O ATOM 802 CB ILE A 337 4.276 1.081 21.294 1.00 24.22 C ATOM 803 CG1 ILE A 337 3.771 2.193 22.215 1.00 54.53 C ATOM 804 CG2 ILE A 337 3.282 0.821 20.172 1.00 1.24 C ATOM 805 CD1 ILE A 337 4.199 3.578 21.781 1.00 22.12 C ATOM 0 H ILE A 337 6.053 0.873 23.045 1.00 62.44 H new ATOM 0 HA ILE A 337 3.609 -0.482 22.622 1.00 20.33 H new ATOM 0 HB ILE A 337 5.218 1.403 20.850 1.00 24.22 H new ATOM 0 HG12 ILE A 337 2.682 2.154 22.255 1.00 54.53 H new ATOM 0 HG13 ILE A 337 4.134 2.009 23.226 1.00 54.53 H new ATOM 0 HG21 ILE A 337 3.116 1.741 19.612 1.00 1.24 H new ATOM 0 HG22 ILE A 337 3.679 0.056 19.504 1.00 1.24 H new ATOM 0 HG23 ILE A 337 2.338 0.479 20.595 1.00 1.24 H new ATOM 0 HD11 ILE A 337 3.805 4.316 22.480 1.00 22.12 H new ATOM 0 HD12 ILE A 337 5.287 3.635 21.768 1.00 22.12 H new ATOM 0 HD13 ILE A 337 3.813 3.782 20.782 1.00 22.12 H new ATOM 817 N ASP A 338 6.131 -1.253 20.613 1.00 14.04 N ATOM 818 CA ASP A 338 6.625 -2.261 19.683 1.00 31.42 C ATOM 819 C ASP A 338 6.904 -3.576 20.405 1.00 70.12 C ATOM 820 O ASP A 338 6.875 -4.647 19.798 1.00 1.13 O ATOM 821 CB ASP A 338 7.895 -1.767 18.989 1.00 52.20 C ATOM 822 CG ASP A 338 9.013 -1.470 19.969 1.00 34.54 C ATOM 823 OD1 ASP A 338 9.357 -2.369 20.765 1.00 40.00 O ATOM 824 OD2 ASP A 338 9.542 -0.340 19.942 1.00 45.34 O ATOM 0 H ASP A 338 6.794 -0.505 20.815 1.00 14.04 H new ATOM 0 HA ASP A 338 5.854 -2.435 18.932 1.00 31.42 H new ATOM 0 HB2 ASP A 338 8.232 -2.519 18.276 1.00 52.20 H new ATOM 0 HB3 ASP A 338 7.667 -0.866 18.419 1.00 52.20 H new ATOM 829 N SER A 339 7.175 -3.487 21.703 1.00 1.20 N ATOM 830 CA SER A 339 7.464 -4.669 22.507 1.00 44.24 C ATOM 831 C SER A 339 6.206 -5.169 23.210 1.00 43.21 C ATOM 832 O SER A 339 6.236 -6.173 23.920 1.00 72.35 O ATOM 833 CB SER A 339 8.550 -4.357 23.539 1.00 54.52 C ATOM 834 OG SER A 339 7.994 -3.764 24.700 1.00 53.33 O ATOM 0 H SER A 339 7.201 -2.608 22.221 1.00 1.20 H new ATOM 0 HA SER A 339 7.822 -5.453 21.840 1.00 44.24 H new ATOM 0 HB2 SER A 339 9.073 -5.274 23.810 1.00 54.52 H new ATOM 0 HB3 SER A 339 9.289 -3.686 23.102 1.00 54.52 H new ATOM 0 HG SER A 339 8.675 -3.722 25.404 1.00 53.33 H new ATOM 840 N GLY A 340 5.100 -4.459 23.007 1.00 44.20 N ATOM 841 CA GLY A 340 3.847 -4.845 23.628 1.00 52.31 C ATOM 842 C GLY A 340 3.989 -5.093 25.116 1.00 2.35 C ATOM 843 O GLY A 340 3.264 -5.906 25.690 1.00 32.22 O ATOM 0 H GLY A 340 5.050 -3.624 22.424 1.00 44.20 H new ATOM 0 HA2 GLY A 340 3.107 -4.062 23.462 1.00 52.31 H new ATOM 0 HA3 GLY A 340 3.470 -5.747 23.147 1.00 52.31 H new