USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 554 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 295 ASN : amide:sc= -2.3! C(o=-1.5!,f=-2.3!) USER MOD Set 1.2: B 4 LYS NZ :NH3+ 145:sc= 0.837 (180deg=1.12) USER MOD Single : A 291 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 293 GLN : amide:sc= 0.511 K(o=0.51,f=-0.03) USER MOD Single : A 294 LYS NZ :NH3+ -170:sc= -0.0646 (180deg=-0.333) USER MOD Single : A 310 CYS SG : rot -57:sc= -0.774 USER MOD Single : A 319 HIS : no HD1:sc= -2.97! C(o=-3!,f=-6.9!) USER MOD Single : A 324 SER OG : rot 180:sc= 0 USER MOD Single : A 332 SER OG : rot 180:sc= 0.0434 USER MOD Single : A 334 THR OG1 : rot 48:sc= 0.0373 USER MOD Single : A 338 SER OG : rot 180:sc= 0 USER MOD Single : A 339 SER OG : rot 180:sc= 0 USER MOD Single : A 342 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 344 THR OG1 : rot -70:sc= 1.07 USER MOD Single : A 346 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 349 GLN : amide:sc= -0.263 X(o=-0.26,f=-0.1) USER MOD Single : B 1 ALA N :NH3+ -132:sc= 1.43 (180deg=0.925) USER MOD Single : B 3 THR OG1 : rot 130:sc= -0.0152 USER MOD Single : B 5 GLN : amide:sc= -0.0101 K(o=-0.01,f=-0.79) USER MOD Single : B 6 THR OG1 : rot 126:sc= 0.562 USER MOD Single : B 9 LYS NZ :NH3+ 165:sc= -1.18 (180deg=-1.59) USER MOD Single : B 10 SER OG : rot -25:sc= 0.617 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 289 -7.900 -15.241 1.620 1.00 7.93 N ATOM 2 CA GLY A 289 -6.484 -15.449 1.998 1.00 7.32 C ATOM 3 C GLY A 289 -5.992 -14.395 2.967 1.00 6.42 C ATOM 4 O GLY A 289 -6.311 -14.442 4.156 1.00 6.32 O ATOM 0 HA2 GLY A 289 -6.371 -16.435 2.448 1.00 7.32 H new ATOM 0 HA3 GLY A 289 -5.864 -15.434 1.102 1.00 7.32 H new ATOM 10 N ALA A 290 -5.208 -13.448 2.445 1.00 6.11 N ATOM 11 CA ALA A 290 -4.662 -12.344 3.234 1.00 5.56 C ATOM 12 C ALA A 290 -3.712 -12.854 4.316 1.00 4.65 C ATOM 13 O ALA A 290 -3.567 -12.245 5.376 1.00 4.88 O ATOM 14 CB ALA A 290 -5.779 -11.499 3.841 1.00 6.29 C ATOM 0 H ALA A 290 -4.935 -13.426 1.463 1.00 6.11 H new ATOM 0 HA ALA A 290 -4.088 -11.708 2.560 1.00 5.56 H new ATOM 0 HB1 ALA A 290 -5.345 -10.686 4.422 1.00 6.29 H new ATOM 0 HB2 ALA A 290 -6.397 -11.086 3.044 1.00 6.29 H new ATOM 0 HB3 ALA A 290 -6.394 -12.121 4.491 1.00 6.29 H new ATOM 20 N MET A 291 -3.058 -13.974 4.034 1.00 4.01 N ATOM 21 CA MET A 291 -2.107 -14.566 4.962 1.00 3.50 C ATOM 22 C MET A 291 -0.894 -15.087 4.199 1.00 2.71 C ATOM 23 O MET A 291 -1.021 -15.510 3.048 1.00 3.00 O ATOM 24 CB MET A 291 -2.766 -15.698 5.756 1.00 4.13 C ATOM 25 CG MET A 291 -1.815 -16.413 6.702 1.00 4.78 C ATOM 26 SD MET A 291 -0.950 -15.277 7.806 1.00 5.58 S ATOM 27 CE MET A 291 0.100 -16.420 8.697 1.00 6.45 C ATOM 0 H MET A 291 -3.171 -14.493 3.163 1.00 4.01 H new ATOM 0 HA MET A 291 -1.779 -13.801 5.666 1.00 3.50 H new ATOM 0 HB2 MET A 291 -3.598 -15.291 6.330 1.00 4.13 H new ATOM 0 HB3 MET A 291 -3.185 -16.423 5.059 1.00 4.13 H new ATOM 0 HG2 MET A 291 -2.374 -17.136 7.296 1.00 4.78 H new ATOM 0 HG3 MET A 291 -1.085 -16.976 6.120 1.00 4.78 H new ATOM 0 HE1 MET A 291 0.702 -15.872 9.422 1.00 6.45 H new ATOM 0 HE2 MET A 291 -0.518 -17.152 9.218 1.00 6.45 H new ATOM 0 HE3 MET A 291 0.757 -16.934 7.995 1.00 6.45 H new ATOM 37 N ALA A 292 0.275 -15.045 4.839 1.00 2.40 N ATOM 38 CA ALA A 292 1.531 -15.452 4.207 1.00 2.26 C ATOM 39 C ALA A 292 1.807 -14.595 2.975 1.00 1.90 C ATOM 40 O ALA A 292 2.267 -15.085 1.941 1.00 2.49 O ATOM 41 CB ALA A 292 1.508 -16.935 3.852 1.00 3.16 C ATOM 0 H ALA A 292 0.378 -14.730 5.804 1.00 2.40 H new ATOM 0 HA ALA A 292 2.341 -15.297 4.919 1.00 2.26 H new ATOM 0 HB1 ALA A 292 2.453 -17.212 3.384 1.00 3.16 H new ATOM 0 HB2 ALA A 292 1.366 -17.524 4.758 1.00 3.16 H new ATOM 0 HB3 ALA A 292 0.689 -17.131 3.160 1.00 3.16 H new ATOM 47 N GLN A 293 1.510 -13.310 3.102 1.00 1.56 N ATOM 48 CA GLN A 293 1.709 -12.357 2.024 1.00 1.58 C ATOM 49 C GLN A 293 3.186 -12.029 1.874 1.00 1.07 C ATOM 50 O GLN A 293 3.981 -12.273 2.779 1.00 1.32 O ATOM 51 CB GLN A 293 0.919 -11.075 2.305 1.00 2.27 C ATOM 52 CG GLN A 293 -0.589 -11.257 2.231 1.00 3.06 C ATOM 53 CD GLN A 293 -1.093 -11.372 0.805 1.00 4.01 C ATOM 54 OE1 GLN A 293 -1.156 -12.465 0.237 1.00 4.60 O ATOM 55 NE2 GLN A 293 -1.461 -10.243 0.218 1.00 4.62 N ATOM 0 H GLN A 293 1.125 -12.901 3.954 1.00 1.56 H new ATOM 0 HA GLN A 293 1.351 -12.802 1.096 1.00 1.58 H new ATOM 0 HB2 GLN A 293 1.183 -10.706 3.296 1.00 2.27 H new ATOM 0 HB3 GLN A 293 1.219 -10.310 1.589 1.00 2.27 H new ATOM 0 HG2 GLN A 293 -0.871 -12.152 2.785 1.00 3.06 H new ATOM 0 HG3 GLN A 293 -1.078 -10.413 2.718 1.00 3.06 H new ATOM 0 HE21 GLN A 293 -1.393 -9.360 0.723 1.00 4.62 H new ATOM 0 HE22 GLN A 293 -1.812 -10.257 -0.739 1.00 4.62 H new ATOM 64 N LYS A 294 3.543 -11.466 0.734 1.00 0.91 N ATOM 65 CA LYS A 294 4.903 -11.039 0.472 1.00 0.64 C ATOM 66 C LYS A 294 4.877 -9.564 0.129 1.00 0.53 C ATOM 67 O LYS A 294 3.863 -9.061 -0.348 1.00 0.75 O ATOM 68 CB LYS A 294 5.503 -11.843 -0.685 1.00 1.16 C ATOM 69 CG LYS A 294 6.935 -11.474 -1.028 1.00 1.84 C ATOM 70 CD LYS A 294 7.914 -11.994 0.011 1.00 1.95 C ATOM 71 CE LYS A 294 9.349 -11.605 -0.319 1.00 2.86 C ATOM 72 NZ LYS A 294 9.727 -11.970 -1.713 1.00 3.40 N ATOM 0 H LYS A 294 2.897 -11.292 -0.036 1.00 0.91 H new ATOM 0 HA LYS A 294 5.523 -11.209 1.353 1.00 0.64 H new ATOM 0 HB2 LYS A 294 5.464 -12.903 -0.434 1.00 1.16 H new ATOM 0 HB3 LYS A 294 4.882 -11.702 -1.570 1.00 1.16 H new ATOM 0 HG2 LYS A 294 7.192 -11.882 -2.006 1.00 1.84 H new ATOM 0 HG3 LYS A 294 7.024 -10.390 -1.101 1.00 1.84 H new ATOM 0 HD2 LYS A 294 7.647 -11.600 0.991 1.00 1.95 H new ATOM 0 HD3 LYS A 294 7.837 -13.080 0.072 1.00 1.95 H new ATOM 0 HE2 LYS A 294 9.473 -10.531 -0.181 1.00 2.86 H new ATOM 0 HE3 LYS A 294 10.026 -12.097 0.379 1.00 2.86 H new ATOM 0 HZ1 LYS A 294 10.752 -11.844 -1.839 1.00 3.40 H new ATOM 0 HZ2 LYS A 294 9.476 -12.963 -1.892 1.00 3.40 H new ATOM 0 HZ3 LYS A 294 9.218 -11.358 -2.382 1.00 3.40 H new ATOM 86 N ASN A 295 5.966 -8.870 0.384 1.00 0.40 N ATOM 87 CA ASN A 295 6.041 -7.446 0.117 1.00 0.28 C ATOM 88 C ASN A 295 7.186 -7.123 -0.828 1.00 0.27 C ATOM 89 O ASN A 295 8.283 -7.673 -0.705 1.00 0.33 O ATOM 90 CB ASN A 295 6.193 -6.667 1.426 1.00 0.26 C ATOM 91 CG ASN A 295 7.114 -7.329 2.446 1.00 0.37 C ATOM 92 OD1 ASN A 295 6.847 -7.296 3.646 1.00 1.07 O ATOM 93 ND2 ASN A 295 8.219 -7.907 1.993 1.00 1.25 N ATOM 0 H ASN A 295 6.817 -9.270 0.778 1.00 0.40 H new ATOM 0 HA ASN A 295 5.112 -7.144 -0.367 1.00 0.28 H new ATOM 0 HB2 ASN A 295 6.575 -5.671 1.201 1.00 0.26 H new ATOM 0 HB3 ASN A 295 5.208 -6.536 1.874 1.00 0.26 H new ATOM 0 HD21 ASN A 295 8.873 -8.339 2.646 1.00 1.25 H new ATOM 0 HD22 ASN A 295 8.415 -7.919 0.992 1.00 1.25 H new ATOM 100 N GLU A 296 6.918 -6.248 -1.779 1.00 0.26 N ATOM 101 CA GLU A 296 7.943 -5.789 -2.701 1.00 0.31 C ATOM 102 C GLU A 296 8.946 -4.914 -1.974 1.00 0.23 C ATOM 103 O GLU A 296 8.573 -4.104 -1.129 1.00 0.31 O ATOM 104 CB GLU A 296 7.341 -4.989 -3.858 1.00 0.47 C ATOM 105 CG GLU A 296 6.433 -5.789 -4.771 1.00 0.63 C ATOM 106 CD GLU A 296 6.186 -5.078 -6.086 1.00 0.83 C ATOM 107 OE1 GLU A 296 5.259 -4.247 -6.164 1.00 1.11 O ATOM 108 OE2 GLU A 296 6.933 -5.345 -7.055 1.00 0.98 O ATOM 0 H GLU A 296 5.997 -5.839 -1.934 1.00 0.26 H new ATOM 0 HA GLU A 296 8.436 -6.673 -3.104 1.00 0.31 H new ATOM 0 HB2 GLU A 296 6.777 -4.151 -3.449 1.00 0.47 H new ATOM 0 HB3 GLU A 296 8.152 -4.567 -4.452 1.00 0.47 H new ATOM 0 HG2 GLU A 296 6.880 -6.764 -4.964 1.00 0.63 H new ATOM 0 HG3 GLU A 296 5.481 -5.968 -4.271 1.00 0.63 H new ATOM 115 N ASP A 297 10.216 -5.078 -2.298 1.00 0.22 N ATOM 116 CA ASP A 297 11.254 -4.219 -1.746 1.00 0.20 C ATOM 117 C ASP A 297 11.439 -3.018 -2.655 1.00 0.19 C ATOM 118 O ASP A 297 12.402 -2.262 -2.526 1.00 0.30 O ATOM 119 CB ASP A 297 12.575 -4.969 -1.604 1.00 0.28 C ATOM 120 CG ASP A 297 12.433 -6.287 -0.867 1.00 0.37 C ATOM 121 OD1 ASP A 297 12.407 -6.280 0.382 1.00 0.45 O ATOM 122 OD2 ASP A 297 12.345 -7.340 -1.533 1.00 0.49 O ATOM 0 H ASP A 297 10.555 -5.796 -2.939 1.00 0.22 H new ATOM 0 HA ASP A 297 10.945 -3.893 -0.753 1.00 0.20 H new ATOM 0 HB2 ASP A 297 12.988 -5.156 -2.595 1.00 0.28 H new ATOM 0 HB3 ASP A 297 13.289 -4.338 -1.075 1.00 0.28 H new ATOM 127 N GLU A 298 10.487 -2.850 -3.561 1.00 0.21 N ATOM 128 CA GLU A 298 10.509 -1.775 -4.532 1.00 0.25 C ATOM 129 C GLU A 298 9.168 -1.054 -4.485 1.00 0.25 C ATOM 130 O GLU A 298 8.119 -1.691 -4.368 1.00 0.40 O ATOM 131 CB GLU A 298 10.716 -2.317 -5.941 1.00 0.42 C ATOM 132 CG GLU A 298 11.572 -3.575 -6.026 1.00 0.89 C ATOM 133 CD GLU A 298 13.051 -3.288 -6.166 1.00 1.81 C ATOM 134 OE1 GLU A 298 13.471 -2.868 -7.268 1.00 2.25 O ATOM 135 OE2 GLU A 298 13.806 -3.526 -5.203 1.00 2.53 O ATOM 0 H GLU A 298 9.674 -3.461 -3.641 1.00 0.21 H new ATOM 0 HA GLU A 298 11.330 -1.100 -4.290 1.00 0.25 H new ATOM 0 HB2 GLU A 298 9.741 -2.528 -6.380 1.00 0.42 H new ATOM 0 HB3 GLU A 298 11.178 -1.539 -6.549 1.00 0.42 H new ATOM 0 HG2 GLU A 298 11.409 -4.177 -5.132 1.00 0.89 H new ATOM 0 HG3 GLU A 298 11.243 -4.172 -6.877 1.00 0.89 H new ATOM 142 N CYS A 299 9.203 0.261 -4.555 1.00 0.18 N ATOM 143 CA CYS A 299 7.990 1.062 -4.545 1.00 0.17 C ATOM 144 C CYS A 299 7.224 0.922 -5.862 1.00 0.18 C ATOM 145 O CYS A 299 7.810 0.932 -6.936 1.00 0.21 O ATOM 146 CB CYS A 299 8.353 2.524 -4.304 1.00 0.17 C ATOM 147 SG CYS A 299 6.943 3.673 -4.351 1.00 0.17 S ATOM 0 H CYS A 299 10.064 0.804 -4.620 1.00 0.18 H new ATOM 0 HA CYS A 299 7.344 0.705 -3.743 1.00 0.17 H new ATOM 0 HB2 CYS A 299 8.841 2.608 -3.333 1.00 0.17 H new ATOM 0 HB3 CYS A 299 9.081 2.832 -5.054 1.00 0.17 H new ATOM 152 N ALA A 300 5.905 0.810 -5.767 1.00 0.21 N ATOM 153 CA ALA A 300 5.045 0.706 -6.944 1.00 0.26 C ATOM 154 C ALA A 300 5.000 2.022 -7.719 1.00 0.26 C ATOM 155 O ALA A 300 4.524 2.074 -8.850 1.00 0.31 O ATOM 156 CB ALA A 300 3.645 0.292 -6.533 1.00 0.31 C ATOM 0 H ALA A 300 5.402 0.789 -4.880 1.00 0.21 H new ATOM 0 HA ALA A 300 5.465 -0.055 -7.601 1.00 0.26 H new ATOM 0 HB1 ALA A 300 3.013 0.218 -7.418 1.00 0.31 H new ATOM 0 HB2 ALA A 300 3.684 -0.676 -6.033 1.00 0.31 H new ATOM 0 HB3 ALA A 300 3.231 1.036 -5.853 1.00 0.31 H new ATOM 162 N VAL A 301 5.492 3.082 -7.092 1.00 0.22 N ATOM 163 CA VAL A 301 5.517 4.401 -7.716 1.00 0.23 C ATOM 164 C VAL A 301 6.737 4.568 -8.621 1.00 0.25 C ATOM 165 O VAL A 301 6.602 4.804 -9.821 1.00 0.31 O ATOM 166 CB VAL A 301 5.506 5.529 -6.657 1.00 0.20 C ATOM 167 CG1 VAL A 301 5.672 6.896 -7.305 1.00 0.22 C ATOM 168 CG2 VAL A 301 4.224 5.486 -5.838 1.00 0.22 C ATOM 0 H VAL A 301 5.880 3.055 -6.149 1.00 0.22 H new ATOM 0 HA VAL A 301 4.614 4.477 -8.322 1.00 0.23 H new ATOM 0 HB VAL A 301 6.352 5.365 -5.990 1.00 0.20 H new ATOM 0 HG11 VAL A 301 5.660 7.667 -6.535 1.00 0.22 H new ATOM 0 HG12 VAL A 301 6.621 6.932 -7.840 1.00 0.22 H new ATOM 0 HG13 VAL A 301 4.854 7.069 -8.004 1.00 0.22 H new ATOM 0 HG21 VAL A 301 4.237 6.288 -5.099 1.00 0.22 H new ATOM 0 HG22 VAL A 301 3.366 5.615 -6.498 1.00 0.22 H new ATOM 0 HG23 VAL A 301 4.149 4.525 -5.329 1.00 0.22 H new ATOM 178 N CYS A 302 7.926 4.442 -8.048 1.00 0.25 N ATOM 179 CA CYS A 302 9.158 4.710 -8.789 1.00 0.31 C ATOM 180 C CYS A 302 10.115 3.518 -8.778 1.00 0.29 C ATOM 181 O CYS A 302 11.257 3.628 -9.219 1.00 0.33 O ATOM 182 CB CYS A 302 9.844 5.940 -8.198 1.00 0.34 C ATOM 183 SG CYS A 302 9.963 5.908 -6.377 1.00 0.29 S ATOM 0 H CYS A 302 8.067 4.158 -7.079 1.00 0.25 H new ATOM 0 HA CYS A 302 8.889 4.892 -9.830 1.00 0.31 H new ATOM 0 HB2 CYS A 302 10.847 6.023 -8.618 1.00 0.34 H new ATOM 0 HB3 CYS A 302 9.296 6.832 -8.502 1.00 0.34 H new ATOM 188 N ARG A 303 9.632 2.385 -8.269 1.00 0.27 N ATOM 189 CA ARG A 303 10.419 1.146 -8.185 1.00 0.30 C ATOM 190 C ARG A 303 11.711 1.351 -7.397 1.00 0.26 C ATOM 191 O ARG A 303 12.720 0.694 -7.651 1.00 0.29 O ATOM 192 CB ARG A 303 10.731 0.588 -9.578 1.00 0.41 C ATOM 193 CG ARG A 303 9.494 0.279 -10.410 1.00 0.54 C ATOM 194 CD ARG A 303 8.515 -0.625 -9.673 1.00 0.66 C ATOM 195 NE ARG A 303 9.099 -1.913 -9.288 1.00 1.24 N ATOM 196 CZ ARG A 303 8.437 -2.856 -8.611 1.00 1.48 C ATOM 197 NH1 ARG A 303 7.183 -2.658 -8.231 1.00 1.13 N ATOM 198 NH2 ARG A 303 9.027 -4.005 -8.317 1.00 2.38 N ATOM 0 H ARG A 303 8.684 2.296 -7.902 1.00 0.27 H new ATOM 0 HA ARG A 303 9.808 0.418 -7.651 1.00 0.30 H new ATOM 0 HB2 ARG A 303 11.349 1.307 -10.116 1.00 0.41 H new ATOM 0 HB3 ARG A 303 11.321 -0.322 -9.470 1.00 0.41 H new ATOM 0 HG2 ARG A 303 8.995 1.211 -10.676 1.00 0.54 H new ATOM 0 HG3 ARG A 303 9.795 -0.199 -11.342 1.00 0.54 H new ATOM 0 HD2 ARG A 303 8.159 -0.113 -8.779 1.00 0.66 H new ATOM 0 HD3 ARG A 303 7.646 -0.802 -10.306 1.00 0.66 H new ATOM 0 HE ARG A 303 10.066 -2.100 -9.552 1.00 1.24 H new ATOM 0 HH11 ARG A 303 6.715 -1.780 -8.455 1.00 1.13 H new ATOM 0 HH12 ARG A 303 6.686 -3.384 -7.715 1.00 1.13 H new ATOM 0 HH21 ARG A 303 9.990 -4.173 -8.608 1.00 2.38 H new ATOM 0 HH22 ARG A 303 8.518 -4.722 -7.800 1.00 2.38 H new ATOM 212 N ASP A 304 11.667 2.264 -6.438 1.00 0.24 N ATOM 213 CA ASP A 304 12.821 2.556 -5.599 1.00 0.27 C ATOM 214 C ASP A 304 12.645 1.871 -4.247 1.00 0.24 C ATOM 215 O ASP A 304 11.591 1.303 -3.976 1.00 0.31 O ATOM 216 CB ASP A 304 12.963 4.068 -5.423 1.00 0.34 C ATOM 217 CG ASP A 304 14.384 4.510 -5.126 1.00 0.77 C ATOM 218 OD1 ASP A 304 14.915 4.114 -4.069 1.00 1.21 O ATOM 219 OD2 ASP A 304 14.981 5.237 -5.951 1.00 1.54 O ATOM 0 H ASP A 304 10.839 2.819 -6.220 1.00 0.24 H new ATOM 0 HA ASP A 304 13.728 2.178 -6.072 1.00 0.27 H new ATOM 0 HB2 ASP A 304 12.618 4.566 -6.329 1.00 0.34 H new ATOM 0 HB3 ASP A 304 12.312 4.395 -4.612 1.00 0.34 H new ATOM 224 N GLY A 305 13.658 1.941 -3.406 1.00 0.27 N ATOM 225 CA GLY A 305 13.604 1.275 -2.116 1.00 0.31 C ATOM 226 C GLY A 305 13.786 2.246 -0.972 1.00 0.35 C ATOM 227 O GLY A 305 13.845 3.456 -1.186 1.00 0.70 O ATOM 0 H GLY A 305 14.524 2.448 -3.589 1.00 0.27 H new ATOM 0 HA2 GLY A 305 12.646 0.765 -2.011 1.00 0.31 H new ATOM 0 HA3 GLY A 305 14.379 0.510 -2.070 1.00 0.31 H new ATOM 231 N GLY A 306 13.869 1.733 0.243 1.00 0.33 N ATOM 232 CA GLY A 306 14.050 2.597 1.390 1.00 0.35 C ATOM 233 C GLY A 306 12.881 2.537 2.345 1.00 0.34 C ATOM 234 O GLY A 306 12.563 1.477 2.883 1.00 0.40 O ATOM 0 H GLY A 306 13.815 0.737 0.457 1.00 0.33 H new ATOM 0 HA2 GLY A 306 14.961 2.312 1.916 1.00 0.35 H new ATOM 0 HA3 GLY A 306 14.186 3.624 1.050 1.00 0.35 H new ATOM 238 N GLU A 307 12.245 3.682 2.552 1.00 0.37 N ATOM 239 CA GLU A 307 11.093 3.783 3.442 1.00 0.42 C ATOM 240 C GLU A 307 9.825 3.341 2.721 1.00 0.33 C ATOM 241 O GLU A 307 9.108 4.160 2.139 1.00 0.39 O ATOM 242 CB GLU A 307 10.941 5.219 3.943 1.00 0.59 C ATOM 243 CG GLU A 307 12.217 5.783 4.549 1.00 0.74 C ATOM 244 CD GLU A 307 12.032 7.171 5.124 1.00 1.17 C ATOM 245 OE1 GLU A 307 11.638 7.286 6.303 1.00 1.51 O ATOM 246 OE2 GLU A 307 12.257 8.158 4.392 1.00 1.91 O ATOM 0 H GLU A 307 12.510 4.563 2.111 1.00 0.37 H new ATOM 0 HA GLU A 307 11.254 3.126 4.297 1.00 0.42 H new ATOM 0 HB2 GLU A 307 10.629 5.854 3.114 1.00 0.59 H new ATOM 0 HB3 GLU A 307 10.147 5.254 4.688 1.00 0.59 H new ATOM 0 HG2 GLU A 307 12.567 5.113 5.335 1.00 0.74 H new ATOM 0 HG3 GLU A 307 12.994 5.812 3.785 1.00 0.74 H new ATOM 253 N LEU A 308 9.562 2.045 2.766 1.00 0.24 N ATOM 254 CA LEU A 308 8.440 1.451 2.051 1.00 0.16 C ATOM 255 C LEU A 308 7.270 1.151 2.982 1.00 0.15 C ATOM 256 O LEU A 308 7.450 0.874 4.166 1.00 0.21 O ATOM 257 CB LEU A 308 8.871 0.154 1.375 1.00 0.16 C ATOM 258 CG LEU A 308 9.923 0.282 0.276 1.00 0.15 C ATOM 259 CD1 LEU A 308 10.420 -1.096 -0.106 1.00 0.18 C ATOM 260 CD2 LEU A 308 9.354 0.994 -0.944 1.00 0.14 C ATOM 0 H LEU A 308 10.118 1.375 3.297 1.00 0.24 H new ATOM 0 HA LEU A 308 8.116 2.177 1.305 1.00 0.16 H new ATOM 0 HB2 LEU A 308 9.256 -0.519 2.141 1.00 0.16 H new ATOM 0 HB3 LEU A 308 7.987 -0.320 0.949 1.00 0.16 H new ATOM 0 HG LEU A 308 10.754 0.878 0.654 1.00 0.15 H new ATOM 0 HD11 LEU A 308 11.171 -1.007 -0.891 1.00 0.18 H new ATOM 0 HD12 LEU A 308 10.861 -1.578 0.766 1.00 0.18 H new ATOM 0 HD13 LEU A 308 9.586 -1.696 -0.469 1.00 0.18 H new ATOM 0 HD21 LEU A 308 10.124 1.072 -1.712 1.00 0.14 H new ATOM 0 HD22 LEU A 308 8.508 0.428 -1.334 1.00 0.14 H new ATOM 0 HD23 LEU A 308 9.022 1.993 -0.660 1.00 0.14 H new ATOM 272 N ILE A 309 6.077 1.216 2.425 1.00 0.12 N ATOM 273 CA ILE A 309 4.865 0.802 3.107 1.00 0.12 C ATOM 274 C ILE A 309 4.041 -0.094 2.175 1.00 0.11 C ATOM 275 O ILE A 309 3.637 0.320 1.089 1.00 0.15 O ATOM 276 CB ILE A 309 4.035 2.022 3.578 1.00 0.13 C ATOM 277 CG1 ILE A 309 2.711 1.570 4.194 1.00 0.15 C ATOM 278 CG2 ILE A 309 3.797 2.999 2.431 1.00 0.14 C ATOM 279 CD1 ILE A 309 1.873 2.710 4.729 1.00 0.21 C ATOM 0 H ILE A 309 5.919 1.561 1.478 1.00 0.12 H new ATOM 0 HA ILE A 309 5.139 0.239 3.999 1.00 0.12 H new ATOM 0 HB ILE A 309 4.607 2.543 4.346 1.00 0.13 H new ATOM 0 HG12 ILE A 309 2.136 1.029 3.443 1.00 0.15 H new ATOM 0 HG13 ILE A 309 2.917 0.870 5.004 1.00 0.15 H new ATOM 0 HG21 ILE A 309 3.212 3.846 2.790 1.00 0.14 H new ATOM 0 HG22 ILE A 309 4.755 3.355 2.051 1.00 0.14 H new ATOM 0 HG23 ILE A 309 3.254 2.496 1.631 1.00 0.14 H new ATOM 0 HD11 ILE A 309 0.949 2.315 5.151 1.00 0.21 H new ATOM 0 HD12 ILE A 309 2.429 3.238 5.504 1.00 0.21 H new ATOM 0 HD13 ILE A 309 1.636 3.399 3.918 1.00 0.21 H new ATOM 291 N CYS A 310 3.832 -1.333 2.586 1.00 0.12 N ATOM 292 CA CYS A 310 3.172 -2.315 1.742 1.00 0.12 C ATOM 293 C CYS A 310 1.725 -2.530 2.172 1.00 0.11 C ATOM 294 O CYS A 310 1.380 -2.418 3.352 1.00 0.12 O ATOM 295 CB CYS A 310 3.950 -3.633 1.779 1.00 0.14 C ATOM 296 SG CYS A 310 3.227 -4.957 0.784 1.00 1.36 S ATOM 0 H CYS A 310 4.111 -1.684 3.502 1.00 0.12 H new ATOM 0 HA CYS A 310 3.157 -1.939 0.719 1.00 0.12 H new ATOM 0 HB2 CYS A 310 4.967 -3.450 1.433 1.00 0.14 H new ATOM 0 HB3 CYS A 310 4.021 -3.970 2.813 1.00 0.14 H new ATOM 0 HG CYS A 310 2.005 -5.173 1.171 1.00 1.36 H new ATOM 302 N CYS A 311 0.886 -2.817 1.188 1.00 0.11 N ATOM 303 CA CYS A 311 -0.529 -3.065 1.406 1.00 0.12 C ATOM 304 C CYS A 311 -0.763 -4.443 2.024 1.00 0.14 C ATOM 305 O CYS A 311 0.052 -5.353 1.864 1.00 0.17 O ATOM 306 CB CYS A 311 -1.277 -2.953 0.075 1.00 0.16 C ATOM 307 SG CYS A 311 -3.070 -3.252 0.184 1.00 0.20 S ATOM 0 H CYS A 311 1.171 -2.884 0.211 1.00 0.11 H new ATOM 0 HA CYS A 311 -0.906 -2.318 2.104 1.00 0.12 H new ATOM 0 HB2 CYS A 311 -1.113 -1.957 -0.336 1.00 0.16 H new ATOM 0 HB3 CYS A 311 -0.846 -3.664 -0.630 1.00 0.16 H new ATOM 312 N ASP A 312 -1.857 -4.585 2.756 1.00 0.19 N ATOM 313 CA ASP A 312 -2.254 -5.882 3.291 1.00 0.26 C ATOM 314 C ASP A 312 -2.497 -6.885 2.163 1.00 0.27 C ATOM 315 O ASP A 312 -1.734 -7.841 1.986 1.00 0.31 O ATOM 316 CB ASP A 312 -3.500 -5.760 4.171 1.00 0.35 C ATOM 317 CG ASP A 312 -3.944 -7.096 4.746 1.00 0.53 C ATOM 318 OD1 ASP A 312 -3.072 -7.856 5.217 1.00 0.66 O ATOM 319 OD2 ASP A 312 -5.161 -7.387 4.730 1.00 0.64 O ATOM 0 H ASP A 312 -2.487 -3.819 2.994 1.00 0.19 H new ATOM 0 HA ASP A 312 -1.435 -6.248 3.910 1.00 0.26 H new ATOM 0 HB2 ASP A 312 -3.297 -5.067 4.987 1.00 0.35 H new ATOM 0 HB3 ASP A 312 -4.314 -5.333 3.585 1.00 0.35 H new ATOM 324 N GLY A 313 -3.547 -6.645 1.383 1.00 0.29 N ATOM 325 CA GLY A 313 -3.964 -7.599 0.368 1.00 0.37 C ATOM 326 C GLY A 313 -3.161 -7.530 -0.922 1.00 0.28 C ATOM 327 O GLY A 313 -3.408 -8.311 -1.842 1.00 0.31 O ATOM 0 H GLY A 313 -4.120 -5.803 1.436 1.00 0.29 H new ATOM 0 HA2 GLY A 313 -3.885 -8.606 0.778 1.00 0.37 H new ATOM 0 HA3 GLY A 313 -5.016 -7.430 0.137 1.00 0.37 H new ATOM 331 N CYS A 314 -2.205 -6.617 -1.005 1.00 0.25 N ATOM 332 CA CYS A 314 -1.385 -6.487 -2.206 1.00 0.24 C ATOM 333 C CYS A 314 0.089 -6.325 -1.854 1.00 0.18 C ATOM 334 O CYS A 314 0.447 -5.517 -0.999 1.00 0.17 O ATOM 335 CB CYS A 314 -1.838 -5.311 -3.073 1.00 0.35 C ATOM 336 SG CYS A 314 -3.525 -5.480 -3.745 1.00 1.34 S ATOM 0 H CYS A 314 -1.977 -5.957 -0.261 1.00 0.25 H new ATOM 0 HA CYS A 314 -1.513 -7.407 -2.776 1.00 0.24 H new ATOM 0 HB2 CYS A 314 -1.785 -4.397 -2.481 1.00 0.35 H new ATOM 0 HB3 CYS A 314 -1.139 -5.195 -3.902 1.00 0.35 H new ATOM 341 N PRO A 315 0.951 -7.092 -2.536 1.00 0.22 N ATOM 342 CA PRO A 315 2.397 -7.142 -2.264 1.00 0.23 C ATOM 343 C PRO A 315 3.123 -5.835 -2.576 1.00 0.19 C ATOM 344 O PRO A 315 4.282 -5.658 -2.197 1.00 0.22 O ATOM 345 CB PRO A 315 2.913 -8.249 -3.194 1.00 0.33 C ATOM 346 CG PRO A 315 1.703 -8.969 -3.681 1.00 0.52 C ATOM 347 CD PRO A 315 0.579 -7.978 -3.644 1.00 0.31 C ATOM 0 HA PRO A 315 2.579 -7.322 -1.204 1.00 0.23 H new ATOM 0 HB2 PRO A 315 3.479 -7.829 -4.026 1.00 0.33 H new ATOM 0 HB3 PRO A 315 3.583 -8.925 -2.663 1.00 0.33 H new ATOM 0 HG2 PRO A 315 1.856 -9.346 -4.692 1.00 0.52 H new ATOM 0 HG3 PRO A 315 1.483 -9.830 -3.050 1.00 0.52 H new ATOM 0 HD2 PRO A 315 0.492 -7.433 -4.584 1.00 0.31 H new ATOM 0 HD3 PRO A 315 -0.381 -8.464 -3.467 1.00 0.31 H new ATOM 355 N ARG A 316 2.450 -4.929 -3.275 1.00 0.18 N ATOM 356 CA ARG A 316 3.045 -3.649 -3.631 1.00 0.18 C ATOM 357 C ARG A 316 3.414 -2.846 -2.390 1.00 0.14 C ATOM 358 O ARG A 316 2.620 -2.733 -1.451 1.00 0.17 O ATOM 359 CB ARG A 316 2.095 -2.813 -4.488 1.00 0.22 C ATOM 360 CG ARG A 316 1.932 -3.296 -5.915 1.00 0.32 C ATOM 361 CD ARG A 316 1.191 -2.263 -6.749 1.00 0.39 C ATOM 362 NE ARG A 316 1.042 -2.676 -8.142 1.00 0.67 N ATOM 363 CZ ARG A 316 0.323 -2.005 -9.046 1.00 0.87 C ATOM 364 NH1 ARG A 316 -0.329 -0.899 -8.703 1.00 1.30 N ATOM 365 NH2 ARG A 316 0.266 -2.440 -10.299 1.00 1.11 N ATOM 0 H ARG A 316 1.494 -5.058 -3.606 1.00 0.18 H new ATOM 0 HA ARG A 316 3.947 -3.872 -4.201 1.00 0.18 H new ATOM 0 HB2 ARG A 316 1.115 -2.799 -4.010 1.00 0.22 H new ATOM 0 HB3 ARG A 316 2.456 -1.785 -4.507 1.00 0.22 H new ATOM 0 HG2 ARG A 316 2.911 -3.490 -6.353 1.00 0.32 H new ATOM 0 HG3 ARG A 316 1.386 -4.239 -5.925 1.00 0.32 H new ATOM 0 HD2 ARG A 316 0.205 -2.090 -6.317 1.00 0.39 H new ATOM 0 HD3 ARG A 316 1.728 -1.315 -6.709 1.00 0.39 H new ATOM 0 HE ARG A 316 1.515 -3.528 -8.443 1.00 0.67 H new ATOM 0 HH11 ARG A 316 -0.283 -0.557 -7.743 1.00 1.30 H new ATOM 0 HH12 ARG A 316 -0.876 -0.393 -9.399 1.00 1.30 H new ATOM 0 HH21 ARG A 316 0.770 -3.284 -10.569 1.00 1.11 H new ATOM 0 HH22 ARG A 316 -0.282 -1.930 -10.992 1.00 1.11 H new ATOM 379 N ALA A 317 4.616 -2.300 -2.396 1.00 0.12 N ATOM 380 CA ALA A 317 5.043 -1.376 -1.364 1.00 0.11 C ATOM 381 C ALA A 317 5.236 -0.005 -1.988 1.00 0.10 C ATOM 382 O ALA A 317 5.483 0.105 -3.186 1.00 0.14 O ATOM 383 CB ALA A 317 6.323 -1.857 -0.689 1.00 0.14 C ATOM 0 H ALA A 317 5.319 -2.483 -3.112 1.00 0.12 H new ATOM 0 HA ALA A 317 4.278 -1.319 -0.590 1.00 0.11 H new ATOM 0 HB1 ALA A 317 6.619 -1.144 0.080 1.00 0.14 H new ATOM 0 HB2 ALA A 317 6.150 -2.832 -0.233 1.00 0.14 H new ATOM 0 HB3 ALA A 317 7.117 -1.940 -1.431 1.00 0.14 H new ATOM 389 N PHE A 318 5.088 1.035 -1.194 1.00 0.11 N ATOM 390 CA PHE A 318 5.164 2.396 -1.705 1.00 0.10 C ATOM 391 C PHE A 318 6.035 3.252 -0.804 1.00 0.11 C ATOM 392 O PHE A 318 6.386 2.844 0.293 1.00 0.14 O ATOM 393 CB PHE A 318 3.767 3.019 -1.764 1.00 0.12 C ATOM 394 CG PHE A 318 2.733 2.216 -2.509 1.00 0.13 C ATOM 395 CD1 PHE A 318 2.088 1.154 -1.891 1.00 0.15 C ATOM 396 CD2 PHE A 318 2.372 2.551 -3.803 1.00 0.18 C ATOM 397 CE1 PHE A 318 1.117 0.434 -2.555 1.00 0.19 C ATOM 398 CE2 PHE A 318 1.390 1.839 -4.468 1.00 0.21 C ATOM 399 CZ PHE A 318 0.760 0.781 -3.839 1.00 0.21 C ATOM 0 H PHE A 318 4.914 0.968 -0.191 1.00 0.11 H new ATOM 0 HA PHE A 318 5.595 2.356 -2.705 1.00 0.10 H new ATOM 0 HB2 PHE A 318 3.415 3.177 -0.745 1.00 0.12 H new ATOM 0 HB3 PHE A 318 3.845 4.001 -2.230 1.00 0.12 H new ATOM 0 HD1 PHE A 318 2.350 0.888 -0.877 1.00 0.15 H new ATOM 0 HD2 PHE A 318 2.862 3.376 -4.298 1.00 0.18 H new ATOM 0 HE1 PHE A 318 0.637 -0.402 -2.068 1.00 0.19 H new ATOM 0 HE2 PHE A 318 1.116 2.109 -5.477 1.00 0.21 H new ATOM 0 HZ PHE A 318 -0.011 0.227 -4.354 1.00 0.21 H new ATOM 409 N HIS A 319 6.389 4.435 -1.275 1.00 0.11 N ATOM 410 CA HIS A 319 7.017 5.425 -0.420 1.00 0.12 C ATOM 411 C HIS A 319 5.949 6.370 0.098 1.00 0.12 C ATOM 412 O HIS A 319 4.994 6.658 -0.625 1.00 0.13 O ATOM 413 CB HIS A 319 8.096 6.213 -1.169 1.00 0.14 C ATOM 414 CG HIS A 319 9.321 5.411 -1.494 1.00 0.14 C ATOM 415 ND1 HIS A 319 9.572 4.974 -2.769 1.00 0.16 N ATOM 416 CD2 HIS A 319 10.326 4.999 -0.683 1.00 0.17 C ATOM 417 CE1 HIS A 319 10.711 4.307 -2.708 1.00 0.18 C ATOM 418 NE2 HIS A 319 11.209 4.299 -1.465 1.00 0.18 N ATOM 0 H HIS A 319 6.253 4.732 -2.241 1.00 0.11 H new ATOM 0 HA HIS A 319 7.504 4.913 0.410 1.00 0.12 H new ATOM 0 HB2 HIS A 319 7.672 6.601 -2.095 1.00 0.14 H new ATOM 0 HB3 HIS A 319 8.387 7.074 -0.567 1.00 0.14 H new ATOM 0 HD2 HIS A 319 10.415 5.186 0.377 1.00 0.17 H new ATOM 0 HE1 HIS A 319 11.181 3.828 -3.554 1.00 0.18 H new ATOM 0 HE2 HIS A 319 12.076 3.858 -1.159 1.00 0.18 H new ATOM 426 N LEU A 320 6.099 6.852 1.321 1.00 0.14 N ATOM 427 CA LEU A 320 5.046 7.631 1.961 1.00 0.15 C ATOM 428 C LEU A 320 4.674 8.847 1.118 1.00 0.14 C ATOM 429 O LEU A 320 3.501 9.055 0.797 1.00 0.15 O ATOM 430 CB LEU A 320 5.476 8.072 3.360 1.00 0.18 C ATOM 431 CG LEU A 320 5.670 6.947 4.378 1.00 0.22 C ATOM 432 CD1 LEU A 320 6.128 7.513 5.712 1.00 0.27 C ATOM 433 CD2 LEU A 320 4.386 6.153 4.553 1.00 0.23 C ATOM 0 H LEU A 320 6.935 6.720 1.890 1.00 0.14 H new ATOM 0 HA LEU A 320 4.167 6.993 2.049 1.00 0.15 H new ATOM 0 HB2 LEU A 320 6.411 8.626 3.275 1.00 0.18 H new ATOM 0 HB3 LEU A 320 4.729 8.764 3.749 1.00 0.18 H new ATOM 0 HG LEU A 320 6.440 6.274 4.002 1.00 0.22 H new ATOM 0 HD11 LEU A 320 6.262 6.700 6.426 1.00 0.27 H new ATOM 0 HD12 LEU A 320 7.074 8.038 5.579 1.00 0.27 H new ATOM 0 HD13 LEU A 320 5.377 8.207 6.090 1.00 0.27 H new ATOM 0 HD21 LEU A 320 4.546 5.358 5.281 1.00 0.23 H new ATOM 0 HD22 LEU A 320 3.595 6.814 4.906 1.00 0.23 H new ATOM 0 HD23 LEU A 320 4.095 5.717 3.598 1.00 0.23 H new ATOM 445 N ALA A 321 5.684 9.619 0.737 1.00 0.15 N ATOM 446 CA ALA A 321 5.477 10.835 -0.040 1.00 0.16 C ATOM 447 C ALA A 321 5.102 10.534 -1.493 1.00 0.16 C ATOM 448 O ALA A 321 4.415 11.328 -2.132 1.00 0.20 O ATOM 449 CB ALA A 321 6.723 11.702 0.009 1.00 0.19 C ATOM 0 H ALA A 321 6.661 9.423 0.955 1.00 0.15 H new ATOM 0 HA ALA A 321 4.640 11.371 0.408 1.00 0.16 H new ATOM 0 HB1 ALA A 321 6.559 12.608 -0.574 1.00 0.19 H new ATOM 0 HB2 ALA A 321 6.939 11.970 1.043 1.00 0.19 H new ATOM 0 HB3 ALA A 321 7.566 11.151 -0.407 1.00 0.19 H new ATOM 455 N CYS A 322 5.556 9.393 -2.009 1.00 0.15 N ATOM 456 CA CYS A 322 5.282 9.017 -3.396 1.00 0.16 C ATOM 457 C CYS A 322 3.825 8.618 -3.573 1.00 0.14 C ATOM 458 O CYS A 322 3.299 8.631 -4.686 1.00 0.18 O ATOM 459 CB CYS A 322 6.201 7.876 -3.842 1.00 0.17 C ATOM 460 SG CYS A 322 7.973 8.298 -3.826 1.00 0.21 S ATOM 0 H CYS A 322 6.113 8.715 -1.490 1.00 0.15 H new ATOM 0 HA CYS A 322 5.480 9.887 -4.023 1.00 0.16 H new ATOM 0 HB2 CYS A 322 6.037 7.017 -3.192 1.00 0.17 H new ATOM 0 HB3 CYS A 322 5.920 7.571 -4.850 1.00 0.17 H new ATOM 465 N LEU A 323 3.182 8.261 -2.471 1.00 0.13 N ATOM 466 CA LEU A 323 1.768 7.931 -2.485 1.00 0.15 C ATOM 467 C LEU A 323 0.918 9.169 -2.692 1.00 0.19 C ATOM 468 O LEU A 323 1.345 10.289 -2.419 1.00 0.20 O ATOM 469 CB LEU A 323 1.359 7.263 -1.176 1.00 0.15 C ATOM 470 CG LEU A 323 1.662 5.775 -1.080 1.00 0.15 C ATOM 471 CD1 LEU A 323 1.503 5.292 0.348 1.00 0.19 C ATOM 472 CD2 LEU A 323 0.739 5.002 -2.004 1.00 0.20 C ATOM 0 H LEU A 323 3.621 8.193 -1.553 1.00 0.13 H new ATOM 0 HA LEU A 323 1.604 7.243 -3.315 1.00 0.15 H new ATOM 0 HB2 LEU A 323 1.863 7.773 -0.355 1.00 0.15 H new ATOM 0 HB3 LEU A 323 0.288 7.408 -1.033 1.00 0.15 H new ATOM 0 HG LEU A 323 2.694 5.605 -1.386 1.00 0.15 H new ATOM 0 HD11 LEU A 323 1.724 4.226 0.398 1.00 0.19 H new ATOM 0 HD12 LEU A 323 2.192 5.836 0.995 1.00 0.19 H new ATOM 0 HD13 LEU A 323 0.479 5.467 0.679 1.00 0.19 H new ATOM 0 HD21 LEU A 323 0.960 3.937 -1.932 1.00 0.20 H new ATOM 0 HD22 LEU A 323 -0.297 5.178 -1.714 1.00 0.20 H new ATOM 0 HD23 LEU A 323 0.890 5.335 -3.031 1.00 0.20 H new ATOM 484 N SER A 324 -0.275 8.951 -3.208 1.00 0.24 N ATOM 485 CA SER A 324 -1.275 9.991 -3.315 1.00 0.30 C ATOM 486 C SER A 324 -2.648 9.394 -3.005 1.00 0.33 C ATOM 487 O SER A 324 -3.136 8.536 -3.747 1.00 0.38 O ATOM 488 CB SER A 324 -1.255 10.603 -4.711 1.00 0.39 C ATOM 489 OG SER A 324 -2.130 11.715 -4.797 1.00 0.93 O ATOM 0 H SER A 324 -0.578 8.045 -3.565 1.00 0.24 H new ATOM 0 HA SER A 324 -1.058 10.784 -2.599 1.00 0.30 H new ATOM 0 HB2 SER A 324 -0.241 10.915 -4.959 1.00 0.39 H new ATOM 0 HB3 SER A 324 -1.546 9.851 -5.445 1.00 0.39 H new ATOM 0 HG SER A 324 -2.096 12.089 -5.702 1.00 0.93 H new ATOM 495 N PRO A 325 -3.283 9.811 -1.898 1.00 0.33 N ATOM 496 CA PRO A 325 -2.737 10.812 -0.977 1.00 0.30 C ATOM 497 C PRO A 325 -1.578 10.271 -0.142 1.00 0.26 C ATOM 498 O PRO A 325 -1.654 9.167 0.402 1.00 0.31 O ATOM 499 CB PRO A 325 -3.922 11.157 -0.067 1.00 0.35 C ATOM 500 CG PRO A 325 -5.116 10.520 -0.696 1.00 0.61 C ATOM 501 CD PRO A 325 -4.597 9.340 -1.453 1.00 0.40 C ATOM 0 HA PRO A 325 -2.330 11.667 -1.516 1.00 0.30 H new ATOM 0 HB2 PRO A 325 -3.763 10.778 0.943 1.00 0.35 H new ATOM 0 HB3 PRO A 325 -4.052 12.236 0.014 1.00 0.35 H new ATOM 0 HG2 PRO A 325 -5.839 10.213 0.060 1.00 0.61 H new ATOM 0 HG3 PRO A 325 -5.627 11.217 -1.360 1.00 0.61 H new ATOM 0 HD2 PRO A 325 -4.520 8.454 -0.823 1.00 0.40 H new ATOM 0 HD3 PRO A 325 -5.242 9.079 -2.292 1.00 0.40 H new ATOM 509 N PRO A 326 -0.484 11.044 -0.052 1.00 0.22 N ATOM 510 CA PRO A 326 0.709 10.656 0.705 1.00 0.20 C ATOM 511 C PRO A 326 0.446 10.527 2.203 1.00 0.21 C ATOM 512 O PRO A 326 -0.315 11.305 2.789 1.00 0.28 O ATOM 513 CB PRO A 326 1.704 11.792 0.445 1.00 0.20 C ATOM 514 CG PRO A 326 0.884 12.938 -0.042 1.00 0.42 C ATOM 515 CD PRO A 326 -0.319 12.346 -0.713 1.00 0.27 C ATOM 0 HA PRO A 326 1.068 9.676 0.391 1.00 0.20 H new ATOM 0 HB2 PRO A 326 2.245 12.055 1.354 1.00 0.20 H new ATOM 0 HB3 PRO A 326 2.448 11.500 -0.296 1.00 0.20 H new ATOM 0 HG2 PRO A 326 0.588 13.583 0.786 1.00 0.42 H new ATOM 0 HG3 PRO A 326 1.453 13.554 -0.739 1.00 0.42 H new ATOM 0 HD2 PRO A 326 -1.200 12.975 -0.583 1.00 0.27 H new ATOM 0 HD3 PRO A 326 -0.164 12.233 -1.786 1.00 0.27 H new ATOM 523 N LEU A 327 1.083 9.537 2.808 1.00 0.23 N ATOM 524 CA LEU A 327 0.985 9.311 4.243 1.00 0.25 C ATOM 525 C LEU A 327 2.123 10.029 4.954 1.00 0.25 C ATOM 526 O LEU A 327 3.271 9.971 4.512 1.00 0.32 O ATOM 527 CB LEU A 327 1.046 7.808 4.566 1.00 0.29 C ATOM 528 CG LEU A 327 -0.242 7.003 4.337 1.00 0.35 C ATOM 529 CD1 LEU A 327 -1.382 7.567 5.167 1.00 1.03 C ATOM 530 CD2 LEU A 327 -0.615 6.957 2.861 1.00 0.81 C ATOM 0 H LEU A 327 1.681 8.869 2.321 1.00 0.23 H new ATOM 0 HA LEU A 327 0.028 9.703 4.588 1.00 0.25 H new ATOM 0 HB2 LEU A 327 1.838 7.362 3.964 1.00 0.29 H new ATOM 0 HB3 LEU A 327 1.337 7.695 5.610 1.00 0.29 H new ATOM 0 HG LEU A 327 -0.056 5.979 4.661 1.00 0.35 H new ATOM 0 HD11 LEU A 327 -2.285 6.982 4.990 1.00 1.03 H new ATOM 0 HD12 LEU A 327 -1.120 7.520 6.224 1.00 1.03 H new ATOM 0 HD13 LEU A 327 -1.560 8.604 4.883 1.00 1.03 H new ATOM 0 HD21 LEU A 327 -1.531 6.380 2.735 1.00 0.81 H new ATOM 0 HD22 LEU A 327 -0.772 7.971 2.494 1.00 0.81 H new ATOM 0 HD23 LEU A 327 0.191 6.487 2.297 1.00 0.81 H new ATOM 542 N ARG A 328 1.804 10.714 6.044 1.00 0.25 N ATOM 543 CA ARG A 328 2.819 11.406 6.831 1.00 0.29 C ATOM 544 C ARG A 328 3.376 10.476 7.900 1.00 0.28 C ATOM 545 O ARG A 328 4.508 10.637 8.358 1.00 0.34 O ATOM 546 CB ARG A 328 2.241 12.670 7.482 1.00 0.38 C ATOM 547 CG ARG A 328 1.099 12.398 8.449 1.00 0.50 C ATOM 548 CD ARG A 328 0.540 13.680 9.043 1.00 0.93 C ATOM 549 NE ARG A 328 1.507 14.364 9.905 1.00 1.56 N ATOM 550 CZ ARG A 328 1.235 15.471 10.597 1.00 2.11 C ATOM 551 NH1 ARG A 328 0.018 15.998 10.554 1.00 2.14 N ATOM 552 NH2 ARG A 328 2.171 16.038 11.357 1.00 3.15 N ATOM 0 H ARG A 328 0.854 10.806 6.404 1.00 0.25 H new ATOM 0 HA ARG A 328 3.625 11.705 6.161 1.00 0.29 H new ATOM 0 HB2 ARG A 328 3.038 13.190 8.013 1.00 0.38 H new ATOM 0 HB3 ARG A 328 1.889 13.342 6.699 1.00 0.38 H new ATOM 0 HG2 ARG A 328 0.304 11.862 7.930 1.00 0.50 H new ATOM 0 HG3 ARG A 328 1.450 11.749 9.252 1.00 0.50 H new ATOM 0 HD2 ARG A 328 0.239 14.349 8.237 1.00 0.93 H new ATOM 0 HD3 ARG A 328 -0.357 13.450 9.619 1.00 0.93 H new ATOM 0 HE ARG A 328 2.445 13.970 9.980 1.00 1.56 H new ATOM 0 HH11 ARG A 328 -0.709 15.556 9.992 1.00 2.14 H new ATOM 0 HH12 ARG A 328 -0.190 16.845 11.083 1.00 2.14 H new ATOM 0 HH21 ARG A 328 3.102 15.625 11.412 1.00 3.15 H new ATOM 0 HH22 ARG A 328 1.956 16.885 11.884 1.00 3.15 H new ATOM 566 N GLU A 329 2.567 9.504 8.290 1.00 0.26 N ATOM 567 CA GLU A 329 2.960 8.538 9.302 1.00 0.30 C ATOM 568 C GLU A 329 2.377 7.168 8.981 1.00 0.22 C ATOM 569 O GLU A 329 1.392 7.057 8.247 1.00 0.27 O ATOM 570 CB GLU A 329 2.503 9.007 10.687 1.00 0.47 C ATOM 571 CG GLU A 329 1.009 9.272 10.786 1.00 0.71 C ATOM 572 CD GLU A 329 0.612 9.818 12.138 1.00 1.11 C ATOM 573 OE1 GLU A 329 0.415 9.016 13.073 1.00 1.23 O ATOM 574 OE2 GLU A 329 0.516 11.053 12.280 1.00 1.57 O ATOM 0 H GLU A 329 1.628 9.363 7.918 1.00 0.26 H new ATOM 0 HA GLU A 329 4.047 8.456 9.306 1.00 0.30 H new ATOM 0 HB2 GLU A 329 2.778 8.253 11.424 1.00 0.47 H new ATOM 0 HB3 GLU A 329 3.042 9.918 10.947 1.00 0.47 H new ATOM 0 HG2 GLU A 329 0.716 9.979 10.010 1.00 0.71 H new ATOM 0 HG3 GLU A 329 0.465 8.347 10.596 1.00 0.71 H new ATOM 581 N ILE A 330 2.998 6.138 9.534 1.00 0.21 N ATOM 582 CA ILE A 330 2.631 4.760 9.246 1.00 0.19 C ATOM 583 C ILE A 330 1.340 4.367 9.956 1.00 0.20 C ATOM 584 O ILE A 330 1.229 4.473 11.176 1.00 0.27 O ATOM 585 CB ILE A 330 3.763 3.787 9.643 1.00 0.25 C ATOM 586 CG1 ILE A 330 5.012 4.055 8.797 1.00 0.28 C ATOM 587 CG2 ILE A 330 3.316 2.340 9.490 1.00 0.26 C ATOM 588 CD1 ILE A 330 4.779 3.922 7.307 1.00 0.26 C ATOM 0 H ILE A 330 3.770 6.233 10.194 1.00 0.21 H new ATOM 0 HA ILE A 330 2.469 4.690 8.170 1.00 0.19 H new ATOM 0 HB ILE A 330 4.007 3.955 10.692 1.00 0.25 H new ATOM 0 HG12 ILE A 330 5.376 5.060 9.010 1.00 0.28 H new ATOM 0 HG13 ILE A 330 5.798 3.362 9.096 1.00 0.28 H new ATOM 0 HG21 ILE A 330 4.131 1.675 9.776 1.00 0.26 H new ATOM 0 HG22 ILE A 330 2.455 2.155 10.132 1.00 0.26 H new ATOM 0 HG23 ILE A 330 3.041 2.152 8.452 1.00 0.26 H new ATOM 0 HD11 ILE A 330 5.708 4.126 6.774 1.00 0.26 H new ATOM 0 HD12 ILE A 330 4.445 2.910 7.080 1.00 0.26 H new ATOM 0 HD13 ILE A 330 4.016 4.635 6.993 1.00 0.26 H new ATOM 600 N PRO A 331 0.343 3.934 9.172 1.00 0.19 N ATOM 601 CA PRO A 331 -0.942 3.465 9.693 1.00 0.23 C ATOM 602 C PRO A 331 -0.789 2.316 10.684 1.00 0.24 C ATOM 603 O PRO A 331 -0.035 1.368 10.443 1.00 0.29 O ATOM 604 CB PRO A 331 -1.697 2.965 8.463 1.00 0.29 C ATOM 605 CG PRO A 331 -0.981 3.504 7.275 1.00 0.27 C ATOM 606 CD PRO A 331 0.406 3.898 7.706 1.00 0.19 C ATOM 0 HA PRO A 331 -1.451 4.265 10.231 1.00 0.23 H new ATOM 0 HB2 PRO A 331 -1.721 1.876 8.440 1.00 0.29 H new ATOM 0 HB3 PRO A 331 -2.732 3.306 8.479 1.00 0.29 H new ATOM 0 HG2 PRO A 331 -0.936 2.754 6.485 1.00 0.27 H new ATOM 0 HG3 PRO A 331 -1.512 4.364 6.868 1.00 0.27 H new ATOM 0 HD2 PRO A 331 1.148 3.179 7.359 1.00 0.19 H new ATOM 0 HD3 PRO A 331 0.687 4.869 7.298 1.00 0.19 H new ATOM 614 N SER A 332 -1.557 2.370 11.759 1.00 0.34 N ATOM 615 CA SER A 332 -1.479 1.372 12.813 1.00 0.45 C ATOM 616 C SER A 332 -2.476 0.247 12.555 1.00 0.37 C ATOM 617 O SER A 332 -3.150 -0.240 13.462 1.00 0.60 O ATOM 618 CB SER A 332 -1.736 2.037 14.166 1.00 0.67 C ATOM 619 OG SER A 332 -2.763 3.013 14.065 1.00 1.66 O ATOM 0 H SER A 332 -2.248 3.102 11.926 1.00 0.34 H new ATOM 0 HA SER A 332 -0.481 0.934 12.824 1.00 0.45 H new ATOM 0 HB2 SER A 332 -2.018 1.281 14.899 1.00 0.67 H new ATOM 0 HB3 SER A 332 -0.819 2.504 14.526 1.00 0.67 H new ATOM 0 HG SER A 332 -2.911 3.424 14.942 1.00 1.66 H new ATOM 625 N GLY A 333 -2.575 -0.141 11.295 1.00 0.41 N ATOM 626 CA GLY A 333 -3.451 -1.218 10.902 1.00 0.34 C ATOM 627 C GLY A 333 -3.240 -1.586 9.457 1.00 0.36 C ATOM 628 O GLY A 333 -2.321 -1.070 8.813 1.00 0.46 O ATOM 0 H GLY A 333 -2.054 0.280 10.526 1.00 0.41 H new ATOM 0 HA2 GLY A 333 -3.269 -2.088 11.533 1.00 0.34 H new ATOM 0 HA3 GLY A 333 -4.489 -0.923 11.058 1.00 0.34 H new ATOM 632 N THR A 334 -4.088 -2.457 8.943 1.00 0.33 N ATOM 633 CA THR A 334 -3.965 -2.930 7.575 1.00 0.34 C ATOM 634 C THR A 334 -4.170 -1.800 6.577 1.00 0.29 C ATOM 635 O THR A 334 -5.254 -1.228 6.473 1.00 0.35 O ATOM 636 CB THR A 334 -4.972 -4.060 7.288 1.00 0.41 C ATOM 637 OG1 THR A 334 -6.237 -3.760 7.896 1.00 0.58 O ATOM 638 CG2 THR A 334 -4.457 -5.392 7.807 1.00 0.48 C ATOM 0 H THR A 334 -4.875 -2.854 9.456 1.00 0.33 H new ATOM 0 HA THR A 334 -2.953 -3.318 7.460 1.00 0.34 H new ATOM 0 HB THR A 334 -5.098 -4.135 6.208 1.00 0.41 H new ATOM 0 HG1 THR A 334 -6.491 -2.837 7.685 1.00 0.58 H new ATOM 0 HG21 THR A 334 -5.186 -6.173 7.592 1.00 0.48 H new ATOM 0 HG22 THR A 334 -3.513 -5.633 7.318 1.00 0.48 H new ATOM 0 HG23 THR A 334 -4.302 -5.327 8.884 1.00 0.48 H new ATOM 646 N TRP A 335 -3.109 -1.483 5.848 1.00 0.23 N ATOM 647 CA TRP A 335 -3.153 -0.418 4.863 1.00 0.20 C ATOM 648 C TRP A 335 -3.589 -0.979 3.516 1.00 0.17 C ATOM 649 O TRP A 335 -3.235 -2.106 3.161 1.00 0.18 O ATOM 650 CB TRP A 335 -1.783 0.267 4.745 1.00 0.21 C ATOM 651 CG TRP A 335 -1.785 1.414 3.782 1.00 0.20 C ATOM 652 CD1 TRP A 335 -2.172 2.697 4.034 1.00 0.23 C ATOM 653 CD2 TRP A 335 -1.405 1.374 2.403 1.00 0.20 C ATOM 654 NE1 TRP A 335 -2.065 3.455 2.892 1.00 0.24 N ATOM 655 CE2 TRP A 335 -1.593 2.664 1.879 1.00 0.23 C ATOM 656 CE3 TRP A 335 -0.923 0.369 1.567 1.00 0.21 C ATOM 657 CZ2 TRP A 335 -1.323 2.972 0.545 1.00 0.27 C ATOM 658 CZ3 TRP A 335 -0.653 0.676 0.248 1.00 0.26 C ATOM 659 CH2 TRP A 335 -0.854 1.966 -0.250 1.00 0.29 C ATOM 0 H TRP A 335 -2.206 -1.951 5.923 1.00 0.23 H new ATOM 0 HA TRP A 335 -3.878 0.330 5.185 1.00 0.20 H new ATOM 0 HB2 TRP A 335 -1.476 0.625 5.728 1.00 0.21 H new ATOM 0 HB3 TRP A 335 -1.042 -0.466 4.427 1.00 0.21 H new ATOM 0 HD1 TRP A 335 -2.513 3.064 4.991 1.00 0.23 H new ATOM 0 HE1 TRP A 335 -2.299 4.445 2.812 1.00 0.24 H new ATOM 0 HE3 TRP A 335 -0.764 -0.631 1.943 1.00 0.21 H new ATOM 0 HZ2 TRP A 335 -1.479 3.968 0.157 1.00 0.27 H new ATOM 0 HZ3 TRP A 335 -0.280 -0.095 -0.410 1.00 0.26 H new ATOM 0 HH2 TRP A 335 -0.633 2.172 -1.287 1.00 0.29 H new ATOM 670 N ARG A 336 -4.359 -0.198 2.772 1.00 0.18 N ATOM 671 CA ARG A 336 -4.873 -0.634 1.486 1.00 0.19 C ATOM 672 C ARG A 336 -4.442 0.318 0.379 1.00 0.21 C ATOM 673 O ARG A 336 -4.489 1.534 0.548 1.00 0.27 O ATOM 674 CB ARG A 336 -6.396 -0.702 1.523 1.00 0.28 C ATOM 675 CG ARG A 336 -6.941 -1.730 2.493 1.00 0.43 C ATOM 676 CD ARG A 336 -8.455 -1.662 2.568 1.00 0.63 C ATOM 677 NE ARG A 336 -9.003 -2.569 3.573 1.00 1.09 N ATOM 678 CZ ARG A 336 -10.287 -2.595 3.934 1.00 1.55 C ATOM 679 NH1 ARG A 336 -11.167 -1.790 3.347 1.00 1.85 N ATOM 680 NH2 ARG A 336 -10.687 -3.424 4.887 1.00 1.99 N ATOM 0 H ARG A 336 -4.641 0.745 3.040 1.00 0.18 H new ATOM 0 HA ARG A 336 -4.467 -1.624 1.281 1.00 0.19 H new ATOM 0 HB2 ARG A 336 -6.787 0.279 1.791 1.00 0.28 H new ATOM 0 HB3 ARG A 336 -6.764 -0.930 0.523 1.00 0.28 H new ATOM 0 HG2 ARG A 336 -6.634 -2.728 2.181 1.00 0.43 H new ATOM 0 HG3 ARG A 336 -6.517 -1.561 3.483 1.00 0.43 H new ATOM 0 HD2 ARG A 336 -8.759 -0.641 2.799 1.00 0.63 H new ATOM 0 HD3 ARG A 336 -8.876 -1.907 1.593 1.00 0.63 H new ATOM 0 HE ARG A 336 -8.365 -3.223 4.027 1.00 1.09 H new ATOM 0 HH11 ARG A 336 -10.862 -1.147 2.616 1.00 1.85 H new ATOM 0 HH12 ARG A 336 -12.147 -1.815 3.628 1.00 1.85 H new ATOM 0 HH21 ARG A 336 -10.014 -4.040 5.343 1.00 1.99 H new ATOM 0 HH22 ARG A 336 -11.668 -3.446 5.165 1.00 1.99 H new ATOM 694 N CYS A 337 -4.027 -0.244 -0.749 1.00 0.24 N ATOM 695 CA CYS A 337 -3.685 0.552 -1.924 1.00 0.32 C ATOM 696 C CYS A 337 -4.967 0.972 -2.646 1.00 0.40 C ATOM 697 O CYS A 337 -6.057 0.532 -2.265 1.00 0.37 O ATOM 698 CB CYS A 337 -2.785 -0.254 -2.865 1.00 0.37 C ATOM 699 SG CYS A 337 -3.482 -1.860 -3.362 1.00 0.63 S ATOM 0 H CYS A 337 -3.918 -1.250 -0.877 1.00 0.24 H new ATOM 0 HA CYS A 337 -3.143 1.444 -1.609 1.00 0.32 H new ATOM 0 HB2 CYS A 337 -2.589 0.338 -3.759 1.00 0.37 H new ATOM 0 HB3 CYS A 337 -1.825 -0.422 -2.377 1.00 0.37 H new ATOM 704 N SER A 338 -4.848 1.800 -3.679 1.00 0.53 N ATOM 705 CA SER A 338 -6.016 2.305 -4.400 1.00 0.63 C ATOM 706 C SER A 338 -6.930 1.172 -4.886 1.00 0.62 C ATOM 707 O SER A 338 -8.155 1.249 -4.742 1.00 0.63 O ATOM 708 CB SER A 338 -5.560 3.166 -5.580 1.00 0.81 C ATOM 709 OG SER A 338 -4.781 4.266 -5.131 1.00 1.47 O ATOM 0 H SER A 338 -3.955 2.137 -4.037 1.00 0.53 H new ATOM 0 HA SER A 338 -6.599 2.912 -3.707 1.00 0.63 H new ATOM 0 HB2 SER A 338 -4.977 2.561 -6.274 1.00 0.81 H new ATOM 0 HB3 SER A 338 -6.429 3.530 -6.128 1.00 0.81 H new ATOM 0 HG SER A 338 -4.498 4.802 -5.901 1.00 1.47 H new ATOM 715 N SER A 339 -6.335 0.114 -5.437 1.00 0.64 N ATOM 716 CA SER A 339 -7.103 -1.015 -5.959 1.00 0.69 C ATOM 717 C SER A 339 -7.944 -1.666 -4.859 1.00 0.59 C ATOM 718 O SER A 339 -9.116 -1.972 -5.064 1.00 0.63 O ATOM 719 CB SER A 339 -6.170 -2.051 -6.592 1.00 0.79 C ATOM 720 OG SER A 339 -6.902 -3.124 -7.155 1.00 1.67 O ATOM 0 H SER A 339 -5.324 0.016 -5.533 1.00 0.64 H new ATOM 0 HA SER A 339 -7.779 -0.634 -6.725 1.00 0.69 H new ATOM 0 HB2 SER A 339 -5.565 -1.576 -7.364 1.00 0.79 H new ATOM 0 HB3 SER A 339 -5.482 -2.433 -5.838 1.00 0.79 H new ATOM 0 HG SER A 339 -6.282 -3.770 -7.553 1.00 1.67 H new ATOM 726 N CYS A 340 -7.340 -1.858 -3.692 1.00 0.51 N ATOM 727 CA CYS A 340 -8.033 -2.452 -2.552 1.00 0.48 C ATOM 728 C CYS A 340 -9.232 -1.603 -2.134 1.00 0.48 C ATOM 729 O CYS A 340 -10.294 -2.132 -1.804 1.00 0.57 O ATOM 730 CB CYS A 340 -7.078 -2.635 -1.376 1.00 0.45 C ATOM 731 SG CYS A 340 -5.784 -3.883 -1.657 1.00 0.55 S ATOM 0 H CYS A 340 -6.368 -1.610 -3.509 1.00 0.51 H new ATOM 0 HA CYS A 340 -8.400 -3.432 -2.859 1.00 0.48 H new ATOM 0 HB2 CYS A 340 -6.604 -1.679 -1.155 1.00 0.45 H new ATOM 0 HB3 CYS A 340 -7.654 -2.917 -0.494 1.00 0.45 H new ATOM 736 N LEU A 341 -9.055 -0.287 -2.142 1.00 0.48 N ATOM 737 CA LEU A 341 -10.132 0.630 -1.782 1.00 0.59 C ATOM 738 C LEU A 341 -11.308 0.473 -2.744 1.00 0.69 C ATOM 739 O LEU A 341 -12.467 0.478 -2.330 1.00 0.85 O ATOM 740 CB LEU A 341 -9.628 2.076 -1.802 1.00 0.66 C ATOM 741 CG LEU A 341 -8.469 2.373 -0.849 1.00 0.62 C ATOM 742 CD1 LEU A 341 -8.023 3.819 -0.988 1.00 0.78 C ATOM 743 CD2 LEU A 341 -8.869 2.075 0.587 1.00 0.65 C ATOM 0 H LEU A 341 -8.178 0.169 -2.393 1.00 0.48 H new ATOM 0 HA LEU A 341 -10.469 0.388 -0.774 1.00 0.59 H new ATOM 0 HB2 LEU A 341 -9.315 2.321 -2.817 1.00 0.66 H new ATOM 0 HB3 LEU A 341 -10.459 2.737 -1.556 1.00 0.66 H new ATOM 0 HG LEU A 341 -7.632 1.727 -1.114 1.00 0.62 H new ATOM 0 HD11 LEU A 341 -7.198 4.013 -0.303 1.00 0.78 H new ATOM 0 HD12 LEU A 341 -7.695 4.002 -2.011 1.00 0.78 H new ATOM 0 HD13 LEU A 341 -8.855 4.481 -0.750 1.00 0.78 H new ATOM 0 HD21 LEU A 341 -8.032 2.292 1.250 1.00 0.65 H new ATOM 0 HD22 LEU A 341 -9.722 2.695 0.863 1.00 0.65 H new ATOM 0 HD23 LEU A 341 -9.141 1.023 0.678 1.00 0.65 H new ATOM 755 N GLN A 342 -10.992 0.300 -4.022 1.00 0.68 N ATOM 756 CA GLN A 342 -12.003 0.125 -5.057 1.00 0.81 C ATOM 757 C GLN A 342 -12.648 -1.260 -4.970 1.00 0.87 C ATOM 758 O GLN A 342 -13.755 -1.484 -5.469 1.00 1.05 O ATOM 759 CB GLN A 342 -11.370 0.321 -6.435 1.00 0.92 C ATOM 760 CG GLN A 342 -12.349 0.151 -7.581 1.00 1.13 C ATOM 761 CD GLN A 342 -11.679 0.173 -8.937 1.00 1.37 C ATOM 762 OE1 GLN A 342 -10.674 0.852 -9.137 1.00 1.79 O ATOM 763 NE2 GLN A 342 -12.222 -0.588 -9.870 1.00 1.93 N ATOM 0 H GLN A 342 -10.033 0.277 -4.368 1.00 0.68 H new ATOM 0 HA GLN A 342 -12.783 0.871 -4.905 1.00 0.81 H new ATOM 0 HB2 GLN A 342 -10.932 1.318 -6.486 1.00 0.92 H new ATOM 0 HB3 GLN A 342 -10.554 -0.392 -6.556 1.00 0.92 H new ATOM 0 HG2 GLN A 342 -12.882 -0.792 -7.460 1.00 1.13 H new ATOM 0 HG3 GLN A 342 -13.094 0.946 -7.537 1.00 1.13 H new ATOM 0 HE21 GLN A 342 -13.057 -1.135 -9.660 1.00 1.93 H new ATOM 0 HE22 GLN A 342 -11.807 -0.628 -10.801 1.00 1.93 H new ATOM 772 N ALA A 343 -11.971 -2.182 -4.304 1.00 0.84 N ATOM 773 CA ALA A 343 -12.448 -3.552 -4.203 1.00 1.01 C ATOM 774 C ALA A 343 -13.320 -3.718 -2.966 1.00 1.11 C ATOM 775 O ALA A 343 -13.926 -4.770 -2.751 1.00 1.31 O ATOM 776 CB ALA A 343 -11.274 -4.520 -4.165 1.00 1.06 C ATOM 0 H ALA A 343 -11.088 -2.006 -3.825 1.00 0.84 H new ATOM 0 HA ALA A 343 -13.051 -3.778 -5.082 1.00 1.01 H new ATOM 0 HB1 ALA A 343 -11.647 -5.541 -4.089 1.00 1.06 H new ATOM 0 HB2 ALA A 343 -10.686 -4.415 -5.077 1.00 1.06 H new ATOM 0 HB3 ALA A 343 -10.647 -4.298 -3.302 1.00 1.06 H new ATOM 782 N THR A 344 -13.378 -2.670 -2.159 1.00 1.11 N ATOM 783 CA THR A 344 -14.168 -2.680 -0.941 1.00 1.35 C ATOM 784 C THR A 344 -15.081 -1.456 -0.868 1.00 1.98 C ATOM 785 O THR A 344 -15.175 -0.792 0.166 1.00 2.69 O ATOM 786 CB THR A 344 -13.261 -2.726 0.304 1.00 1.92 C ATOM 787 OG1 THR A 344 -12.206 -1.762 0.182 1.00 2.52 O ATOM 788 CG2 THR A 344 -12.664 -4.111 0.496 1.00 2.43 C ATOM 0 H THR A 344 -12.882 -1.795 -2.329 1.00 1.11 H new ATOM 0 HA THR A 344 -14.786 -3.578 -0.960 1.00 1.35 H new ATOM 0 HB THR A 344 -13.873 -2.489 1.174 1.00 1.92 H new ATOM 0 HG1 THR A 344 -11.576 -2.053 -0.510 1.00 2.52 H new ATOM 0 HG21 THR A 344 -12.029 -4.114 1.382 1.00 2.43 H new ATOM 0 HG22 THR A 344 -13.466 -4.839 0.622 1.00 2.43 H new ATOM 0 HG23 THR A 344 -12.069 -4.375 -0.378 1.00 2.43 H new ATOM 796 N VAL A 345 -15.756 -1.167 -1.973 1.00 2.46 N ATOM 797 CA VAL A 345 -16.657 -0.023 -2.038 1.00 3.48 C ATOM 798 C VAL A 345 -18.066 -0.435 -1.643 1.00 3.77 C ATOM 799 O VAL A 345 -18.626 0.090 -0.677 1.00 4.41 O ATOM 800 CB VAL A 345 -16.695 0.603 -3.448 1.00 4.43 C ATOM 801 CG1 VAL A 345 -17.652 1.787 -3.498 1.00 5.52 C ATOM 802 CG2 VAL A 345 -15.304 1.029 -3.884 1.00 4.61 C ATOM 0 H VAL A 345 -15.697 -1.708 -2.836 1.00 2.46 H new ATOM 0 HA VAL A 345 -16.275 0.722 -1.340 1.00 3.48 H new ATOM 0 HB VAL A 345 -17.059 -0.157 -4.140 1.00 4.43 H new ATOM 0 HG11 VAL A 345 -17.658 2.208 -4.503 1.00 5.52 H new ATOM 0 HG12 VAL A 345 -18.657 1.454 -3.238 1.00 5.52 H new ATOM 0 HG13 VAL A 345 -17.327 2.548 -2.788 1.00 5.52 H new ATOM 0 HG21 VAL A 345 -15.353 1.468 -4.881 1.00 4.61 H new ATOM 0 HG22 VAL A 345 -14.912 1.766 -3.182 1.00 4.61 H new ATOM 0 HG23 VAL A 345 -14.646 0.160 -3.902 1.00 4.61 H new ATOM 812 N GLN A 346 -18.631 -1.388 -2.381 1.00 3.72 N ATOM 813 CA GLN A 346 -19.992 -1.848 -2.127 1.00 4.43 C ATOM 814 C GLN A 346 -20.025 -2.877 -1.001 1.00 4.64 C ATOM 815 O GLN A 346 -20.405 -4.027 -1.207 1.00 4.85 O ATOM 816 CB GLN A 346 -20.620 -2.427 -3.401 1.00 4.92 C ATOM 817 CG GLN A 346 -20.932 -1.377 -4.456 1.00 5.36 C ATOM 818 CD GLN A 346 -21.617 -1.955 -5.681 1.00 6.22 C ATOM 819 OE1 GLN A 346 -22.845 -2.053 -5.736 1.00 6.73 O ATOM 820 NE2 GLN A 346 -20.831 -2.324 -6.680 1.00 6.73 N ATOM 0 H GLN A 346 -18.167 -1.856 -3.159 1.00 3.72 H new ATOM 0 HA GLN A 346 -20.580 -0.985 -1.815 1.00 4.43 H new ATOM 0 HB2 GLN A 346 -19.942 -3.167 -3.826 1.00 4.92 H new ATOM 0 HB3 GLN A 346 -21.539 -2.950 -3.138 1.00 4.92 H new ATOM 0 HG2 GLN A 346 -21.569 -0.608 -4.019 1.00 5.36 H new ATOM 0 HG3 GLN A 346 -20.006 -0.889 -4.760 1.00 5.36 H new ATOM 0 HE21 GLN A 346 -19.819 -2.227 -6.595 1.00 6.73 H new ATOM 0 HE22 GLN A 346 -21.237 -2.705 -7.534 1.00 6.73 H new ATOM 829 N GLU A 347 -19.596 -2.439 0.182 1.00 5.05 N ATOM 830 CA GLU A 347 -19.650 -3.227 1.412 1.00 5.69 C ATOM 831 C GLU A 347 -19.170 -4.670 1.240 1.00 6.30 C ATOM 832 O GLU A 347 -19.718 -5.586 1.855 1.00 6.66 O ATOM 833 CB GLU A 347 -21.069 -3.192 1.962 1.00 6.27 C ATOM 834 CG GLU A 347 -21.421 -1.875 2.630 1.00 6.68 C ATOM 835 CD GLU A 347 -20.490 -1.547 3.779 1.00 7.28 C ATOM 836 OE1 GLU A 347 -20.731 -2.034 4.901 1.00 7.68 O ATOM 837 OE2 GLU A 347 -19.516 -0.794 3.562 1.00 7.60 O ATOM 0 H GLU A 347 -19.194 -1.511 0.314 1.00 5.05 H new ATOM 0 HA GLU A 347 -18.956 -2.773 2.119 1.00 5.69 H new ATOM 0 HB2 GLU A 347 -21.771 -3.378 1.149 1.00 6.27 H new ATOM 0 HB3 GLU A 347 -21.192 -4.001 2.682 1.00 6.27 H new ATOM 0 HG2 GLU A 347 -21.381 -1.074 1.892 1.00 6.68 H new ATOM 0 HG3 GLU A 347 -22.446 -1.919 2.997 1.00 6.68 H new ATOM 844 N VAL A 348 -18.124 -4.846 0.432 1.00 6.79 N ATOM 845 CA VAL A 348 -17.532 -6.151 0.175 1.00 7.69 C ATOM 846 C VAL A 348 -18.577 -7.156 -0.332 1.00 8.41 C ATOM 847 O VAL A 348 -19.029 -8.034 0.407 1.00 9.19 O ATOM 848 CB VAL A 348 -16.839 -6.681 1.440 1.00 8.24 C ATOM 849 CG1 VAL A 348 -16.178 -8.032 1.195 1.00 8.98 C ATOM 850 CG2 VAL A 348 -15.815 -5.675 1.949 1.00 8.51 C ATOM 0 H VAL A 348 -17.665 -4.081 -0.063 1.00 6.79 H new ATOM 0 HA VAL A 348 -16.786 -6.030 -0.610 1.00 7.69 H new ATOM 0 HB VAL A 348 -17.607 -6.820 2.201 1.00 8.24 H new ATOM 0 HG11 VAL A 348 -15.699 -8.374 2.112 1.00 8.98 H new ATOM 0 HG12 VAL A 348 -16.933 -8.756 0.888 1.00 8.98 H new ATOM 0 HG13 VAL A 348 -15.429 -7.933 0.409 1.00 8.98 H new ATOM 0 HG21 VAL A 348 -15.334 -6.067 2.845 1.00 8.51 H new ATOM 0 HG22 VAL A 348 -15.062 -5.501 1.180 1.00 8.51 H new ATOM 0 HG23 VAL A 348 -16.315 -4.736 2.187 1.00 8.51 H new ATOM 860 N GLN A 349 -18.952 -7.005 -1.606 1.00 8.35 N ATOM 861 CA GLN A 349 -19.926 -7.889 -2.252 1.00 9.25 C ATOM 862 C GLN A 349 -21.300 -7.780 -1.595 1.00 9.81 C ATOM 863 O GLN A 349 -21.609 -8.501 -0.647 1.00 9.85 O ATOM 864 CB GLN A 349 -19.451 -9.349 -2.237 1.00 9.50 C ATOM 865 CG GLN A 349 -18.290 -9.638 -3.175 1.00 9.64 C ATOM 866 CD GLN A 349 -18.659 -9.481 -4.638 1.00 10.09 C ATOM 867 OE1 GLN A 349 -19.132 -10.422 -5.278 1.00 10.30 O ATOM 868 NE2 GLN A 349 -18.432 -8.296 -5.185 1.00 10.48 N ATOM 0 H GLN A 349 -18.591 -6.271 -2.215 1.00 8.35 H new ATOM 0 HA GLN A 349 -20.013 -7.564 -3.289 1.00 9.25 H new ATOM 0 HB2 GLN A 349 -19.157 -9.613 -1.221 1.00 9.50 H new ATOM 0 HB3 GLN A 349 -20.288 -9.994 -2.504 1.00 9.50 H new ATOM 0 HG2 GLN A 349 -17.464 -8.967 -2.940 1.00 9.64 H new ATOM 0 HG3 GLN A 349 -17.934 -10.654 -3.002 1.00 9.64 H new ATOM 0 HE21 GLN A 349 -18.039 -7.541 -4.622 1.00 10.48 H new ATOM 0 HE22 GLN A 349 -18.650 -8.138 -6.169 1.00 10.48 H new ATOM 877 N PRO A 350 -22.149 -6.883 -2.108 1.00 10.46 N ATOM 878 CA PRO A 350 -23.498 -6.687 -1.580 1.00 11.22 C ATOM 879 C PRO A 350 -24.448 -7.797 -2.020 1.00 12.02 C ATOM 880 O PRO A 350 -24.179 -8.514 -2.990 1.00 12.51 O ATOM 881 CB PRO A 350 -23.914 -5.351 -2.189 1.00 11.80 C ATOM 882 CG PRO A 350 -23.179 -5.283 -3.478 1.00 11.63 C ATOM 883 CD PRO A 350 -21.870 -5.992 -3.253 1.00 10.74 C ATOM 0 HA PRO A 350 -23.527 -6.701 -0.490 1.00 11.22 H new ATOM 0 HB2 PRO A 350 -24.992 -5.304 -2.344 1.00 11.80 H new ATOM 0 HB3 PRO A 350 -23.649 -4.518 -1.537 1.00 11.80 H new ATOM 0 HG2 PRO A 350 -23.748 -5.760 -4.276 1.00 11.63 H new ATOM 0 HG3 PRO A 350 -23.015 -4.248 -3.778 1.00 11.63 H new ATOM 0 HD2 PRO A 350 -21.563 -6.556 -4.134 1.00 10.74 H new ATOM 0 HD3 PRO A 350 -21.067 -5.290 -3.028 1.00 10.74 H new ATOM 891 N ARG A 351 -25.553 -7.939 -1.304 1.00 12.32 N ATOM 892 CA ARG A 351 -26.564 -8.925 -1.644 1.00 13.21 C ATOM 893 C ARG A 351 -27.408 -8.428 -2.809 1.00 14.01 C ATOM 894 O ARG A 351 -28.495 -7.882 -2.626 1.00 14.62 O ATOM 895 CB ARG A 351 -27.434 -9.240 -0.429 1.00 13.33 C ATOM 896 CG ARG A 351 -26.712 -10.099 0.596 1.00 13.46 C ATOM 897 CD ARG A 351 -26.681 -11.562 0.178 1.00 13.60 C ATOM 898 NE ARG A 351 -27.982 -12.209 0.353 1.00 14.02 N ATOM 899 CZ ARG A 351 -28.475 -13.142 -0.466 1.00 14.33 C ATOM 900 NH1 ARG A 351 -27.820 -13.486 -1.568 1.00 14.26 N ATOM 901 NH2 ARG A 351 -29.638 -13.719 -0.188 1.00 14.87 N ATOM 0 H ARG A 351 -25.772 -7.380 -0.480 1.00 12.32 H new ATOM 0 HA ARG A 351 -26.070 -9.847 -1.949 1.00 13.21 H new ATOM 0 HB2 ARG A 351 -27.749 -8.308 0.040 1.00 13.33 H new ATOM 0 HB3 ARG A 351 -28.338 -9.753 -0.757 1.00 13.33 H new ATOM 0 HG2 ARG A 351 -25.693 -9.735 0.724 1.00 13.46 H new ATOM 0 HG3 ARG A 351 -27.207 -10.006 1.563 1.00 13.46 H new ATOM 0 HD2 ARG A 351 -26.377 -11.634 -0.866 1.00 13.60 H new ATOM 0 HD3 ARG A 351 -25.931 -12.091 0.765 1.00 13.60 H new ATOM 0 HE ARG A 351 -28.550 -11.929 1.153 1.00 14.02 H new ATOM 0 HH11 ARG A 351 -26.933 -13.037 -1.795 1.00 14.26 H new ATOM 0 HH12 ARG A 351 -28.204 -14.199 -2.188 1.00 14.26 H new ATOM 0 HH21 ARG A 351 -30.154 -13.450 0.650 1.00 14.87 H new ATOM 0 HH22 ARG A 351 -30.016 -14.432 -0.812 1.00 14.87 H new ATOM 915 N ALA A 352 -26.891 -8.639 -4.012 1.00 14.16 N ATOM 916 CA ALA A 352 -27.541 -8.171 -5.224 1.00 15.05 C ATOM 917 C ALA A 352 -28.220 -9.341 -5.912 1.00 15.58 C ATOM 918 O ALA A 352 -27.934 -9.663 -7.065 1.00 15.81 O ATOM 919 CB ALA A 352 -26.531 -7.504 -6.148 1.00 15.21 C ATOM 0 H ALA A 352 -26.015 -9.136 -4.173 1.00 14.16 H new ATOM 0 HA ALA A 352 -28.295 -7.427 -4.967 1.00 15.05 H new ATOM 0 HB1 ALA A 352 -27.036 -7.160 -7.051 1.00 15.21 H new ATOM 0 HB2 ALA A 352 -26.078 -6.653 -5.639 1.00 15.21 H new ATOM 0 HB3 ALA A 352 -25.755 -8.221 -6.417 1.00 15.21 H new ATOM 925 N GLU A 353 -29.124 -9.969 -5.185 1.00 15.90 N ATOM 926 CA GLU A 353 -29.751 -11.195 -5.635 1.00 16.56 C ATOM 927 C GLU A 353 -31.063 -10.887 -6.344 1.00 17.16 C ATOM 928 O GLU A 353 -31.188 -11.095 -7.551 1.00 17.69 O ATOM 929 CB GLU A 353 -29.974 -12.115 -4.435 1.00 16.64 C ATOM 930 CG GLU A 353 -30.417 -13.518 -4.795 1.00 17.13 C ATOM 931 CD GLU A 353 -30.359 -14.445 -3.604 1.00 17.09 C ATOM 932 OE1 GLU A 353 -29.262 -14.965 -3.304 1.00 17.07 O ATOM 933 OE2 GLU A 353 -31.404 -14.651 -2.955 1.00 17.21 O ATOM 0 H GLU A 353 -29.442 -9.646 -4.272 1.00 15.90 H new ATOM 0 HA GLU A 353 -29.100 -11.701 -6.348 1.00 16.56 H new ATOM 0 HB2 GLU A 353 -29.049 -12.175 -3.862 1.00 16.64 H new ATOM 0 HB3 GLU A 353 -30.724 -11.666 -3.783 1.00 16.64 H new ATOM 0 HG2 GLU A 353 -31.435 -13.490 -5.185 1.00 17.13 H new ATOM 0 HG3 GLU A 353 -29.782 -13.907 -5.591 1.00 17.13 H new ATOM 940 N GLU A 354 -32.031 -10.381 -5.596 1.00 17.19 N ATOM 941 CA GLU A 354 -33.305 -9.979 -6.173 1.00 17.88 C ATOM 942 C GLU A 354 -33.443 -8.465 -6.133 1.00 18.30 C ATOM 943 O GLU A 354 -33.844 -7.926 -5.081 1.00 18.38 O ATOM 944 CB GLU A 354 -34.470 -10.641 -5.432 1.00 17.97 C ATOM 945 CG GLU A 354 -34.549 -12.148 -5.635 1.00 18.18 C ATOM 946 CD GLU A 354 -35.736 -12.761 -4.925 1.00 18.58 C ATOM 947 OE1 GLU A 354 -36.881 -12.564 -5.389 1.00 18.81 O ATOM 948 OE2 GLU A 354 -35.538 -13.426 -3.889 1.00 18.79 O ATOM 949 OXT GLU A 354 -33.130 -7.814 -7.147 1.00 18.67 O ATOM 0 H GLU A 354 -31.959 -10.239 -4.589 1.00 17.19 H new ATOM 0 HA GLU A 354 -33.332 -10.308 -7.212 1.00 17.88 H new ATOM 0 HB2 GLU A 354 -34.377 -10.432 -4.366 1.00 17.97 H new ATOM 0 HB3 GLU A 354 -35.404 -10.189 -5.765 1.00 17.97 H new ATOM 0 HG2 GLU A 354 -34.614 -12.366 -6.701 1.00 18.18 H new ATOM 0 HG3 GLU A 354 -33.632 -12.610 -5.270 1.00 18.18 H new TER 956 GLU A 354 ATOM 957 N ALA B 1 0.309 -1.370 8.958 1.00 0.29 N ATOM 958 CA ALA B 1 0.791 -1.338 7.558 1.00 0.21 C ATOM 959 C ALA B 1 2.040 -2.196 7.427 1.00 0.20 C ATOM 960 O ALA B 1 2.809 -2.325 8.378 1.00 0.28 O ATOM 961 CB ALA B 1 1.068 0.097 7.125 1.00 0.21 C ATOM 0 H1 ALA B 1 -0.714 -1.558 8.969 1.00 0.29 H new ATOM 0 H2 ALA B 1 0.805 -2.121 9.479 1.00 0.29 H new ATOM 0 H3 ALA B 1 0.497 -0.453 9.411 1.00 0.29 H new ATOM 0 HA ALA B 1 0.020 -1.743 6.903 1.00 0.21 H new ATOM 0 HB1 ALA B 1 1.422 0.104 6.094 1.00 0.21 H new ATOM 0 HB2 ALA B 1 0.152 0.683 7.198 1.00 0.21 H new ATOM 0 HB3 ALA B 1 1.829 0.532 7.773 1.00 0.21 H new ATOM 969 N ARG B 2 2.240 -2.788 6.257 1.00 0.18 N ATOM 970 CA ARG B 2 3.378 -3.672 6.043 1.00 0.19 C ATOM 971 C ARG B 2 4.616 -2.849 5.695 1.00 0.23 C ATOM 972 O ARG B 2 5.088 -2.851 4.559 1.00 0.61 O ATOM 973 CB ARG B 2 3.057 -4.672 4.930 1.00 0.21 C ATOM 974 CG ARG B 2 3.926 -5.918 4.950 1.00 0.24 C ATOM 975 CD ARG B 2 3.559 -6.881 3.827 1.00 0.33 C ATOM 976 NE ARG B 2 2.111 -7.023 3.651 1.00 0.32 N ATOM 977 CZ ARG B 2 1.318 -7.757 4.439 1.00 0.44 C ATOM 978 NH1 ARG B 2 1.814 -8.389 5.500 1.00 0.54 N ATOM 979 NH2 ARG B 2 0.025 -7.858 4.161 1.00 0.69 N ATOM 0 H ARG B 2 1.633 -2.673 5.446 1.00 0.18 H new ATOM 0 HA ARG B 2 3.582 -4.229 6.957 1.00 0.19 H new ATOM 0 HB2 ARG B 2 2.012 -4.969 5.013 1.00 0.21 H new ATOM 0 HB3 ARG B 2 3.172 -4.177 3.966 1.00 0.21 H new ATOM 0 HG2 ARG B 2 4.974 -5.632 4.856 1.00 0.24 H new ATOM 0 HG3 ARG B 2 3.818 -6.421 5.911 1.00 0.24 H new ATOM 0 HD2 ARG B 2 4.001 -6.530 2.895 1.00 0.33 H new ATOM 0 HD3 ARG B 2 3.992 -7.859 4.037 1.00 0.33 H new ATOM 0 HE ARG B 2 1.677 -6.527 2.872 1.00 0.32 H new ATOM 0 HH11 ARG B 2 2.808 -8.316 5.719 1.00 0.54 H new ATOM 0 HH12 ARG B 2 1.201 -8.946 6.095 1.00 0.54 H new ATOM 0 HH21 ARG B 2 -0.361 -7.377 3.349 1.00 0.69 H new ATOM 0 HH22 ARG B 2 -0.583 -8.417 4.759 1.00 0.69 H new ATOM 993 N THR B 3 5.120 -2.133 6.682 1.00 0.29 N ATOM 994 CA THR B 3 6.231 -1.221 6.485 1.00 0.30 C ATOM 995 C THR B 3 7.537 -1.975 6.256 1.00 0.31 C ATOM 996 O THR B 3 7.777 -3.024 6.860 1.00 0.38 O ATOM 997 CB THR B 3 6.384 -0.302 7.706 1.00 0.33 C ATOM 998 OG1 THR B 3 5.101 -0.098 8.315 1.00 0.95 O ATOM 999 CG2 THR B 3 6.966 1.041 7.298 1.00 0.70 C ATOM 0 H THR B 3 4.772 -2.167 7.640 1.00 0.29 H new ATOM 0 HA THR B 3 6.015 -0.625 5.598 1.00 0.30 H new ATOM 0 HB THR B 3 7.062 -0.777 8.415 1.00 0.33 H new ATOM 0 HG1 THR B 3 5.164 -0.271 9.277 1.00 0.95 H new ATOM 0 HG21 THR B 3 7.066 1.677 8.178 1.00 0.70 H new ATOM 0 HG22 THR B 3 7.946 0.890 6.846 1.00 0.70 H new ATOM 0 HG23 THR B 3 6.304 1.521 6.577 1.00 0.70 H new ATOM 1007 N LYS B 4 8.366 -1.440 5.374 1.00 0.28 N ATOM 1008 CA LYS B 4 9.659 -2.026 5.071 1.00 0.30 C ATOM 1009 C LYS B 4 10.737 -0.956 5.085 1.00 0.34 C ATOM 1010 O LYS B 4 10.579 0.102 4.480 1.00 0.37 O ATOM 1011 CB LYS B 4 9.653 -2.697 3.696 1.00 0.30 C ATOM 1012 CG LYS B 4 8.691 -3.861 3.557 1.00 0.34 C ATOM 1013 CD LYS B 4 8.608 -4.339 2.116 1.00 0.40 C ATOM 1014 CE LYS B 4 9.969 -4.726 1.558 1.00 0.54 C ATOM 1015 NZ LYS B 4 10.613 -5.830 2.319 1.00 0.75 N ATOM 0 H LYS B 4 8.161 -0.589 4.850 1.00 0.28 H new ATOM 0 HA LYS B 4 9.866 -2.776 5.834 1.00 0.30 H new ATOM 0 HB2 LYS B 4 9.405 -1.948 2.944 1.00 0.30 H new ATOM 0 HB3 LYS B 4 10.661 -3.049 3.475 1.00 0.30 H new ATOM 0 HG2 LYS B 4 9.015 -4.682 4.197 1.00 0.34 H new ATOM 0 HG3 LYS B 4 7.701 -3.561 3.901 1.00 0.34 H new ATOM 0 HD2 LYS B 4 7.937 -5.196 2.058 1.00 0.40 H new ATOM 0 HD3 LYS B 4 8.175 -3.552 1.499 1.00 0.40 H new ATOM 0 HE2 LYS B 4 9.857 -5.026 0.516 1.00 0.54 H new ATOM 0 HE3 LYS B 4 10.622 -3.854 1.570 1.00 0.54 H new ATOM 0 HZ1 LYS B 4 11.151 -6.434 1.666 1.00 0.75 H new ATOM 0 HZ2 LYS B 4 11.257 -5.431 3.031 1.00 0.75 H new ATOM 0 HZ3 LYS B 4 9.882 -6.398 2.793 1.00 0.75 H new ATOM 1029 N GLN B 5 11.824 -1.236 5.777 1.00 0.46 N ATOM 1030 CA GLN B 5 12.982 -0.359 5.771 1.00 0.52 C ATOM 1031 C GLN B 5 14.112 -1.025 5.001 1.00 0.57 C ATOM 1032 O GLN B 5 15.003 -1.646 5.585 1.00 1.35 O ATOM 1033 CB GLN B 5 13.438 -0.019 7.196 1.00 0.73 C ATOM 1034 CG GLN B 5 12.687 1.140 7.838 1.00 1.45 C ATOM 1035 CD GLN B 5 11.239 0.829 8.173 1.00 2.10 C ATOM 1036 OE1 GLN B 5 10.878 -0.315 8.460 1.00 2.62 O ATOM 1037 NE2 GLN B 5 10.403 1.854 8.153 1.00 2.88 N ATOM 0 H GLN B 5 11.931 -2.070 6.355 1.00 0.46 H new ATOM 0 HA GLN B 5 12.705 0.576 5.284 1.00 0.52 H new ATOM 0 HB2 GLN B 5 13.321 -0.903 7.822 1.00 0.73 H new ATOM 0 HB3 GLN B 5 14.501 0.219 7.177 1.00 0.73 H new ATOM 0 HG2 GLN B 5 13.205 1.434 8.751 1.00 1.45 H new ATOM 0 HG3 GLN B 5 12.717 1.996 7.164 1.00 1.45 H new ATOM 0 HE21 GLN B 5 10.743 2.785 7.910 1.00 2.88 H new ATOM 0 HE22 GLN B 5 9.419 1.714 8.380 1.00 2.88 H new ATOM 1046 N THR B 6 14.054 -0.914 3.685 1.00 0.67 N ATOM 1047 CA THR B 6 15.022 -1.566 2.822 1.00 0.58 C ATOM 1048 C THR B 6 16.102 -0.588 2.380 1.00 0.67 C ATOM 1049 O THR B 6 16.161 0.547 2.855 1.00 0.88 O ATOM 1050 CB THR B 6 14.334 -2.173 1.581 1.00 0.57 C ATOM 1051 OG1 THR B 6 13.578 -1.171 0.885 1.00 1.03 O ATOM 1052 CG2 THR B 6 13.419 -3.321 1.978 1.00 0.70 C ATOM 0 H THR B 6 13.343 -0.376 3.190 1.00 0.67 H new ATOM 0 HA THR B 6 15.485 -2.368 3.396 1.00 0.58 H new ATOM 0 HB THR B 6 15.111 -2.556 0.920 1.00 0.57 H new ATOM 0 HG1 THR B 6 13.855 -1.146 -0.055 1.00 1.03 H new ATOM 0 HG21 THR B 6 12.945 -3.733 1.087 1.00 0.70 H new ATOM 0 HG22 THR B 6 14.003 -4.098 2.471 1.00 0.70 H new ATOM 0 HG23 THR B 6 12.652 -2.956 2.661 1.00 0.70 H new ATOM 1060 N ALA B 7 16.960 -1.038 1.483 1.00 0.68 N ATOM 1061 CA ALA B 7 17.993 -0.188 0.928 1.00 0.75 C ATOM 1062 C ALA B 7 17.453 0.547 -0.289 1.00 0.70 C ATOM 1063 O ALA B 7 16.785 -0.051 -1.136 1.00 0.67 O ATOM 1064 CB ALA B 7 19.213 -1.015 0.555 1.00 0.90 C ATOM 0 H ALA B 7 16.960 -1.992 1.123 1.00 0.68 H new ATOM 0 HA ALA B 7 18.294 0.544 1.677 1.00 0.75 H new ATOM 0 HB1 ALA B 7 19.981 -0.363 0.139 1.00 0.90 H new ATOM 0 HB2 ALA B 7 19.601 -1.512 1.444 1.00 0.90 H new ATOM 0 HB3 ALA B 7 18.932 -1.764 -0.186 1.00 0.90 H new ATOM 1070 N ARG B 8 17.728 1.843 -0.359 1.00 0.74 N ATOM 1071 CA ARG B 8 17.251 2.666 -1.458 1.00 0.74 C ATOM 1072 C ARG B 8 17.815 2.175 -2.783 1.00 0.82 C ATOM 1073 O ARG B 8 18.937 1.663 -2.847 1.00 1.15 O ATOM 1074 CB ARG B 8 17.609 4.130 -1.228 1.00 0.81 C ATOM 1075 CG ARG B 8 16.887 4.740 -0.039 1.00 0.86 C ATOM 1076 CD ARG B 8 17.034 6.246 -0.034 1.00 1.10 C ATOM 1077 NE ARG B 8 16.203 6.887 0.985 1.00 1.72 N ATOM 1078 CZ ARG B 8 15.214 7.735 0.704 1.00 2.18 C ATOM 1079 NH1 ARG B 8 14.852 7.938 -0.559 1.00 2.19 N ATOM 1080 NH2 ARG B 8 14.572 8.356 1.685 1.00 3.09 N ATOM 0 H ARG B 8 18.281 2.346 0.335 1.00 0.74 H new ATOM 0 HA ARG B 8 16.165 2.583 -1.500 1.00 0.74 H new ATOM 0 HB2 ARG B 8 18.685 4.215 -1.075 1.00 0.81 H new ATOM 0 HB3 ARG B 8 17.368 4.702 -2.124 1.00 0.81 H new ATOM 0 HG2 ARG B 8 15.831 4.474 -0.074 1.00 0.86 H new ATOM 0 HG3 ARG B 8 17.289 4.328 0.887 1.00 0.86 H new ATOM 0 HD2 ARG B 8 18.079 6.505 0.138 1.00 1.10 H new ATOM 0 HD3 ARG B 8 16.766 6.637 -1.015 1.00 1.10 H new ATOM 0 HE ARG B 8 16.391 6.673 1.964 1.00 1.72 H new ATOM 0 HH11 ARG B 8 15.331 7.445 -1.312 1.00 2.19 H new ATOM 0 HH12 ARG B 8 14.095 8.587 -0.775 1.00 2.19 H new ATOM 0 HH21 ARG B 8 14.835 8.185 2.655 1.00 3.09 H new ATOM 0 HH22 ARG B 8 13.815 9.005 1.469 1.00 3.09 H new ATOM 1094 N LYS B 9 17.032 2.334 -3.835 1.00 0.77 N ATOM 1095 CA LYS B 9 17.372 1.783 -5.136 1.00 0.91 C ATOM 1096 C LYS B 9 17.846 2.882 -6.069 1.00 1.52 C ATOM 1097 O LYS B 9 17.731 4.066 -5.757 1.00 1.96 O ATOM 1098 CB LYS B 9 16.162 1.065 -5.740 1.00 1.00 C ATOM 1099 CG LYS B 9 15.710 -0.148 -4.935 1.00 1.52 C ATOM 1100 CD LYS B 9 16.729 -1.281 -4.986 1.00 2.37 C ATOM 1101 CE LYS B 9 16.491 -2.216 -6.163 1.00 3.15 C ATOM 1102 NZ LYS B 9 16.494 -1.500 -7.463 1.00 3.53 N ATOM 0 H LYS B 9 16.149 2.844 -3.813 1.00 0.77 H new ATOM 0 HA LYS B 9 18.180 1.063 -5.007 1.00 0.91 H new ATOM 0 HB2 LYS B 9 15.333 1.769 -5.818 1.00 1.00 H new ATOM 0 HB3 LYS B 9 16.407 0.748 -6.754 1.00 1.00 H new ATOM 0 HG2 LYS B 9 15.546 0.146 -3.898 1.00 1.52 H new ATOM 0 HG3 LYS B 9 14.754 -0.503 -5.320 1.00 1.52 H new ATOM 0 HD2 LYS B 9 17.733 -0.862 -5.055 1.00 2.37 H new ATOM 0 HD3 LYS B 9 16.684 -1.850 -4.057 1.00 2.37 H new ATOM 0 HE2 LYS B 9 17.262 -2.986 -6.174 1.00 3.15 H new ATOM 0 HE3 LYS B 9 15.535 -2.724 -6.033 1.00 3.15 H new ATOM 0 HZ1 LYS B 9 16.584 -2.188 -8.238 1.00 3.53 H new ATOM 0 HZ2 LYS B 9 15.605 -0.972 -7.570 1.00 3.53 H new ATOM 0 HZ3 LYS B 9 17.296 -0.838 -7.493 1.00 3.53 H new ATOM 1116 N SER B 10 18.409 2.490 -7.198 1.00 2.30 N ATOM 1117 CA SER B 10 18.842 3.446 -8.199 1.00 3.23 C ATOM 1118 C SER B 10 18.875 2.781 -9.572 1.00 3.61 C ATOM 1119 O SER B 10 19.928 2.218 -9.936 1.00 4.10 O ATOM 1120 CB SER B 10 20.228 4.001 -7.854 1.00 4.17 C ATOM 1121 OG SER B 10 20.260 4.514 -6.531 1.00 4.45 O ATOM 1122 OXT SER B 10 17.847 2.808 -10.270 1.00 3.81 O ATOM 0 H SER B 10 18.577 1.514 -7.444 1.00 2.30 H new ATOM 0 HA SER B 10 18.133 4.274 -8.217 1.00 3.23 H new ATOM 0 HB2 SER B 10 20.975 3.214 -7.960 1.00 4.17 H new ATOM 0 HB3 SER B 10 20.493 4.789 -8.559 1.00 4.17 H new ATOM 0 HG SER B 10 19.355 4.771 -6.258 1.00 4.45 H new TER 1128 SER B 10 HETATM 1129 ZN ZN A 355 8.150 5.893 -4.614 1.00 0.18 ZN HETATM 1130 ZN ZN A 356 -3.435 -3.803 -2.024 1.00 0.71 ZN