USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=15 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= -4.82! C(o=-4.2!,f=-3.1!) USER MOD Set 1.2: B 4 LYS NZ :NH3+ 176:sc= 0.646 (180deg=0.341) USER MOD Single : A 291 MET CE :methyl -153:sc= -0.141 (180deg=-0.676) USER MOD Single : A 293 GLN : amide:sc= 0.0355 X(o=0.035,f=0) USER MOD Single : A 294 LYS NZ :NH3+ 169:sc= 0.934 (180deg=0.855) USER MOD Single : A 310 CYS SG : rot 100:sc= -1.22 USER MOD Single : A 319 HIS : no HD1:sc= -2.18! C(o=-2.2!,f=-5.7!) USER MOD Single : A 324 SER OG : rot 180:sc= 0 USER MOD Single : A 332 SER OG : rot 180:sc= 0 USER MOD Single : A 334 THR OG1 : rot 45:sc= 0.061 USER MOD Single : A 338 SER OG : rot 180:sc= 0.0185 USER MOD Single : A 339 SER OG : rot 180:sc= 0.0423 USER MOD Single : A 342 GLN : amide:sc= -1.2! K(o=-1.2!,f=-0.017) USER MOD Single : A 344 THR OG1 : rot 180:sc= 0 USER MOD Single : A 346 GLN : amide:sc= 0.244! C(o=0.24!,f=-7.2!) USER MOD Single : A 349 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 1 ALA N :NH3+ -127:sc= 1.56 (180deg=-0.0352) USER MOD Single : B 3 THR OG1 : rot 180:sc= 0.0416 USER MOD Single : B 5 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : B 6 THR OG1 : rot 170:sc= 0.82 USER MOD Single : B 9 LYS NZ :NH3+ -143:sc= 1.02 (180deg=-1.17!) USER MOD Single : B 10 SER OG : rot -12:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 289 -0.137 -25.537 3.795 1.00 7.93 N ATOM 2 CA GLY A 289 1.094 -25.643 2.978 1.00 7.32 C ATOM 3 C GLY A 289 2.017 -24.465 3.197 1.00 6.42 C ATOM 4 O GLY A 289 2.641 -24.341 4.252 1.00 6.32 O ATOM 0 HA2 GLY A 289 1.617 -26.566 3.227 1.00 7.32 H new ATOM 0 HA3 GLY A 289 0.826 -25.704 1.923 1.00 7.32 H new ATOM 10 N ALA A 290 2.100 -23.587 2.208 1.00 6.11 N ATOM 11 CA ALA A 290 2.951 -22.415 2.301 1.00 5.56 C ATOM 12 C ALA A 290 2.139 -21.157 2.048 1.00 4.65 C ATOM 13 O ALA A 290 1.640 -20.946 0.940 1.00 4.88 O ATOM 14 CB ALA A 290 4.101 -22.517 1.311 1.00 6.29 C ATOM 0 H ALA A 290 1.586 -23.667 1.331 1.00 6.11 H new ATOM 0 HA ALA A 290 3.367 -22.362 3.307 1.00 5.56 H new ATOM 0 HB1 ALA A 290 4.731 -21.631 1.392 1.00 6.29 H new ATOM 0 HB2 ALA A 290 4.694 -23.405 1.532 1.00 6.29 H new ATOM 0 HB3 ALA A 290 3.704 -22.588 0.298 1.00 6.29 H new ATOM 20 N MET A 291 1.998 -20.323 3.065 1.00 4.01 N ATOM 21 CA MET A 291 1.227 -19.099 2.927 1.00 3.50 C ATOM 22 C MET A 291 1.799 -17.997 3.804 1.00 2.71 C ATOM 23 O MET A 291 1.329 -17.744 4.916 1.00 3.00 O ATOM 24 CB MET A 291 -0.252 -19.337 3.244 1.00 4.13 C ATOM 25 CG MET A 291 -1.100 -18.076 3.159 1.00 4.78 C ATOM 26 SD MET A 291 -2.813 -18.424 2.739 1.00 5.58 S ATOM 27 CE MET A 291 -2.619 -18.958 1.037 1.00 6.45 C ATOM 0 H MET A 291 2.404 -20.470 3.989 1.00 4.01 H new ATOM 0 HA MET A 291 1.297 -18.777 1.888 1.00 3.50 H new ATOM 0 HB2 MET A 291 -0.649 -20.080 2.552 1.00 4.13 H new ATOM 0 HB3 MET A 291 -0.338 -19.757 4.246 1.00 4.13 H new ATOM 0 HG2 MET A 291 -1.063 -17.552 4.114 1.00 4.78 H new ATOM 0 HG3 MET A 291 -0.675 -17.406 2.411 1.00 4.78 H new ATOM 0 HE1 MET A 291 -3.538 -18.757 0.486 1.00 6.45 H new ATOM 0 HE2 MET A 291 -1.794 -18.415 0.577 1.00 6.45 H new ATOM 0 HE3 MET A 291 -2.408 -20.027 1.013 1.00 6.45 H new ATOM 37 N ALA A 292 2.842 -17.370 3.301 1.00 2.40 N ATOM 38 CA ALA A 292 3.415 -16.201 3.929 1.00 2.26 C ATOM 39 C ALA A 292 3.394 -15.050 2.937 1.00 1.90 C ATOM 40 O ALA A 292 4.093 -15.091 1.921 1.00 2.49 O ATOM 41 CB ALA A 292 4.836 -16.487 4.392 1.00 3.16 C ATOM 0 H ALA A 292 3.316 -17.658 2.445 1.00 2.40 H new ATOM 0 HA ALA A 292 2.828 -15.933 4.807 1.00 2.26 H new ATOM 0 HB1 ALA A 292 5.252 -15.596 4.862 1.00 3.16 H new ATOM 0 HB2 ALA A 292 4.826 -17.306 5.111 1.00 3.16 H new ATOM 0 HB3 ALA A 292 5.449 -16.764 3.535 1.00 3.16 H new ATOM 47 N GLN A 293 2.575 -14.041 3.217 1.00 1.56 N ATOM 48 CA GLN A 293 2.431 -12.906 2.317 1.00 1.58 C ATOM 49 C GLN A 293 3.773 -12.218 2.111 1.00 1.07 C ATOM 50 O GLN A 293 4.664 -12.304 2.955 1.00 1.32 O ATOM 51 CB GLN A 293 1.402 -11.905 2.846 1.00 2.27 C ATOM 52 CG GLN A 293 -0.009 -12.466 2.912 1.00 3.06 C ATOM 53 CD GLN A 293 -1.044 -11.391 3.170 1.00 4.01 C ATOM 54 OE1 GLN A 293 -1.369 -11.083 4.317 1.00 4.60 O ATOM 55 NE2 GLN A 293 -1.583 -10.825 2.103 1.00 4.62 N ATOM 0 H GLN A 293 2.002 -13.988 4.059 1.00 1.56 H new ATOM 0 HA GLN A 293 2.075 -13.284 1.359 1.00 1.58 H new ATOM 0 HB2 GLN A 293 1.702 -11.579 3.842 1.00 2.27 H new ATOM 0 HB3 GLN A 293 1.404 -11.022 2.207 1.00 2.27 H new ATOM 0 HG2 GLN A 293 -0.240 -12.972 1.975 1.00 3.06 H new ATOM 0 HG3 GLN A 293 -0.063 -13.216 3.701 1.00 3.06 H new ATOM 0 HE21 GLN A 293 -1.285 -11.109 1.170 1.00 4.62 H new ATOM 0 HE22 GLN A 293 -2.296 -10.104 2.213 1.00 4.62 H new ATOM 64 N LYS A 294 3.913 -11.525 0.996 1.00 0.91 N ATOM 65 CA LYS A 294 5.190 -10.957 0.613 1.00 0.64 C ATOM 66 C LYS A 294 5.040 -9.470 0.373 1.00 0.53 C ATOM 67 O LYS A 294 3.958 -8.997 0.035 1.00 0.75 O ATOM 68 CB LYS A 294 5.718 -11.643 -0.649 1.00 1.16 C ATOM 69 CG LYS A 294 6.137 -13.087 -0.428 1.00 1.84 C ATOM 70 CD LYS A 294 7.402 -13.176 0.408 1.00 1.95 C ATOM 71 CE LYS A 294 7.774 -14.620 0.711 1.00 2.86 C ATOM 72 NZ LYS A 294 6.878 -15.228 1.731 1.00 3.40 N ATOM 0 H LYS A 294 3.155 -11.342 0.339 1.00 0.91 H new ATOM 0 HA LYS A 294 5.904 -11.117 1.421 1.00 0.64 H new ATOM 0 HB2 LYS A 294 4.947 -11.611 -1.419 1.00 1.16 H new ATOM 0 HB3 LYS A 294 6.571 -11.080 -1.028 1.00 1.16 H new ATOM 0 HG2 LYS A 294 5.332 -13.629 0.069 1.00 1.84 H new ATOM 0 HG3 LYS A 294 6.301 -13.571 -1.391 1.00 1.84 H new ATOM 0 HD2 LYS A 294 8.223 -12.692 -0.121 1.00 1.95 H new ATOM 0 HD3 LYS A 294 7.260 -12.633 1.342 1.00 1.95 H new ATOM 0 HE2 LYS A 294 7.727 -15.206 -0.207 1.00 2.86 H new ATOM 0 HE3 LYS A 294 8.805 -14.662 1.064 1.00 2.86 H new ATOM 0 HZ1 LYS A 294 7.044 -16.254 1.772 1.00 3.40 H new ATOM 0 HZ2 LYS A 294 7.076 -14.808 2.662 1.00 3.40 H new ATOM 0 HZ3 LYS A 294 5.887 -15.048 1.474 1.00 3.40 H new ATOM 86 N ASN A 295 6.118 -8.738 0.561 1.00 0.40 N ATOM 87 CA ASN A 295 6.128 -7.314 0.326 1.00 0.28 C ATOM 88 C ASN A 295 7.269 -6.956 -0.611 1.00 0.27 C ATOM 89 O ASN A 295 8.381 -7.463 -0.468 1.00 0.33 O ATOM 90 CB ASN A 295 6.264 -6.558 1.648 1.00 0.26 C ATOM 91 CG ASN A 295 7.225 -7.213 2.631 1.00 0.37 C ATOM 92 OD1 ASN A 295 8.177 -7.892 2.241 1.00 1.07 O ATOM 93 ND2 ASN A 295 6.997 -6.996 3.916 1.00 1.25 N ATOM 0 H ASN A 295 7.010 -9.115 0.881 1.00 0.40 H new ATOM 0 HA ASN A 295 5.186 -7.024 -0.139 1.00 0.28 H new ATOM 0 HB2 ASN A 295 6.604 -5.543 1.443 1.00 0.26 H new ATOM 0 HB3 ASN A 295 5.281 -6.477 2.113 1.00 0.26 H new ATOM 0 HD21 ASN A 295 7.619 -7.396 4.619 1.00 1.25 H new ATOM 0 HD22 ASN A 295 6.199 -6.429 4.204 1.00 1.25 H new ATOM 100 N GLU A 296 6.987 -6.101 -1.576 1.00 0.26 N ATOM 101 CA GLU A 296 8.001 -5.680 -2.535 1.00 0.31 C ATOM 102 C GLU A 296 9.080 -4.861 -1.849 1.00 0.23 C ATOM 103 O GLU A 296 8.823 -4.179 -0.857 1.00 0.31 O ATOM 104 CB GLU A 296 7.391 -4.852 -3.665 1.00 0.47 C ATOM 105 CG GLU A 296 6.399 -5.610 -4.527 1.00 0.63 C ATOM 106 CD GLU A 296 6.148 -4.920 -5.851 1.00 0.83 C ATOM 107 OE1 GLU A 296 5.384 -3.933 -5.870 1.00 1.11 O ATOM 108 OE2 GLU A 296 6.699 -5.357 -6.884 1.00 0.98 O ATOM 0 H GLU A 296 6.068 -5.683 -1.720 1.00 0.26 H new ATOM 0 HA GLU A 296 8.439 -6.584 -2.957 1.00 0.31 H new ATOM 0 HB2 GLU A 296 6.892 -3.983 -3.235 1.00 0.47 H new ATOM 0 HB3 GLU A 296 8.194 -4.477 -4.299 1.00 0.47 H new ATOM 0 HG2 GLU A 296 6.774 -6.617 -4.709 1.00 0.63 H new ATOM 0 HG3 GLU A 296 5.457 -5.713 -3.989 1.00 0.63 H new ATOM 115 N ASP A 297 10.297 -4.953 -2.363 1.00 0.22 N ATOM 116 CA ASP A 297 11.388 -4.115 -1.889 1.00 0.20 C ATOM 117 C ASP A 297 11.450 -2.867 -2.744 1.00 0.19 C ATOM 118 O ASP A 297 12.310 -2.006 -2.549 1.00 0.30 O ATOM 119 CB ASP A 297 12.738 -4.832 -1.966 1.00 0.28 C ATOM 120 CG ASP A 297 12.751 -6.176 -1.273 1.00 0.37 C ATOM 121 OD1 ASP A 297 12.746 -6.208 -0.026 1.00 0.45 O ATOM 122 OD2 ASP A 297 12.772 -7.208 -1.974 1.00 0.49 O ATOM 0 H ASP A 297 10.554 -5.600 -3.109 1.00 0.22 H new ATOM 0 HA ASP A 297 11.196 -3.871 -0.844 1.00 0.20 H new ATOM 0 HB2 ASP A 297 13.007 -4.970 -3.013 1.00 0.28 H new ATOM 0 HB3 ASP A 297 13.503 -4.196 -1.521 1.00 0.28 H new ATOM 127 N GLU A 298 10.515 -2.775 -3.682 1.00 0.21 N ATOM 128 CA GLU A 298 10.472 -1.677 -4.619 1.00 0.25 C ATOM 129 C GLU A 298 9.100 -1.024 -4.545 1.00 0.25 C ATOM 130 O GLU A 298 8.077 -1.710 -4.525 1.00 0.40 O ATOM 131 CB GLU A 298 10.703 -2.154 -6.053 1.00 0.42 C ATOM 132 CG GLU A 298 11.455 -3.472 -6.190 1.00 0.89 C ATOM 133 CD GLU A 298 12.934 -3.350 -5.893 1.00 1.81 C ATOM 134 OE1 GLU A 298 13.634 -2.612 -6.621 1.00 2.25 O ATOM 135 OE2 GLU A 298 13.416 -4.010 -4.951 1.00 2.53 O ATOM 0 H GLU A 298 9.771 -3.461 -3.808 1.00 0.21 H new ATOM 0 HA GLU A 298 11.261 -0.973 -4.356 1.00 0.25 H new ATOM 0 HB2 GLU A 298 9.735 -2.254 -6.545 1.00 0.42 H new ATOM 0 HB3 GLU A 298 11.255 -1.383 -6.590 1.00 0.42 H new ATOM 0 HG2 GLU A 298 11.015 -4.206 -5.514 1.00 0.89 H new ATOM 0 HG3 GLU A 298 11.325 -3.853 -7.203 1.00 0.89 H new ATOM 142 N CYS A 299 9.085 0.291 -4.493 1.00 0.18 N ATOM 143 CA CYS A 299 7.841 1.042 -4.474 1.00 0.17 C ATOM 144 C CYS A 299 7.096 0.883 -5.798 1.00 0.18 C ATOM 145 O CYS A 299 7.696 0.922 -6.865 1.00 0.21 O ATOM 146 CB CYS A 299 8.138 2.515 -4.210 1.00 0.17 C ATOM 147 SG CYS A 299 6.680 3.604 -4.303 1.00 0.17 S ATOM 0 H CYS A 299 9.925 0.868 -4.463 1.00 0.18 H new ATOM 0 HA CYS A 299 7.206 0.654 -3.677 1.00 0.17 H new ATOM 0 HB2 CYS A 299 8.586 2.611 -3.221 1.00 0.17 H new ATOM 0 HB3 CYS A 299 8.880 2.859 -4.931 1.00 0.17 H new ATOM 152 N ALA A 300 5.781 0.716 -5.719 1.00 0.21 N ATOM 153 CA ALA A 300 4.940 0.576 -6.907 1.00 0.26 C ATOM 154 C ALA A 300 4.937 1.856 -7.740 1.00 0.26 C ATOM 155 O ALA A 300 4.545 1.850 -8.904 1.00 0.31 O ATOM 156 CB ALA A 300 3.521 0.212 -6.505 1.00 0.31 C ATOM 0 H ALA A 300 5.269 0.674 -4.838 1.00 0.21 H new ATOM 0 HA ALA A 300 5.356 -0.224 -7.520 1.00 0.26 H new ATOM 0 HB1 ALA A 300 2.904 0.111 -7.398 1.00 0.31 H new ATOM 0 HB2 ALA A 300 3.528 -0.732 -5.960 1.00 0.31 H new ATOM 0 HB3 ALA A 300 3.111 0.996 -5.868 1.00 0.31 H new ATOM 162 N VAL A 301 5.375 2.948 -7.128 1.00 0.22 N ATOM 163 CA VAL A 301 5.411 4.249 -7.787 1.00 0.23 C ATOM 164 C VAL A 301 6.661 4.403 -8.659 1.00 0.25 C ATOM 165 O VAL A 301 6.560 4.515 -9.879 1.00 0.31 O ATOM 166 CB VAL A 301 5.356 5.395 -6.750 1.00 0.20 C ATOM 167 CG1 VAL A 301 5.515 6.754 -7.417 1.00 0.22 C ATOM 168 CG2 VAL A 301 4.053 5.336 -5.967 1.00 0.22 C ATOM 0 H VAL A 301 5.714 2.959 -6.166 1.00 0.22 H new ATOM 0 HA VAL A 301 4.533 4.307 -8.430 1.00 0.23 H new ATOM 0 HB VAL A 301 6.189 5.264 -6.059 1.00 0.20 H new ATOM 0 HG11 VAL A 301 5.472 7.538 -6.661 1.00 0.22 H new ATOM 0 HG12 VAL A 301 6.476 6.797 -7.930 1.00 0.22 H new ATOM 0 HG13 VAL A 301 4.711 6.901 -8.139 1.00 0.22 H new ATOM 0 HG21 VAL A 301 4.028 6.148 -5.241 1.00 0.22 H new ATOM 0 HG22 VAL A 301 3.212 5.436 -6.653 1.00 0.22 H new ATOM 0 HG23 VAL A 301 3.985 4.381 -5.446 1.00 0.22 H new ATOM 178 N CYS A 302 7.837 4.380 -8.040 1.00 0.25 N ATOM 179 CA CYS A 302 9.082 4.662 -8.759 1.00 0.31 C ATOM 180 C CYS A 302 10.012 3.447 -8.800 1.00 0.29 C ATOM 181 O CYS A 302 11.132 3.528 -9.306 1.00 0.33 O ATOM 182 CB CYS A 302 9.796 5.840 -8.100 1.00 0.34 C ATOM 183 SG CYS A 302 10.010 5.644 -6.301 1.00 0.29 S ATOM 0 H CYS A 302 7.958 4.171 -7.049 1.00 0.25 H new ATOM 0 HA CYS A 302 8.823 4.909 -9.789 1.00 0.31 H new ATOM 0 HB2 CYS A 302 10.775 5.967 -8.563 1.00 0.34 H new ATOM 0 HB3 CYS A 302 9.231 6.752 -8.294 1.00 0.34 H new ATOM 188 N ARG A 303 9.528 2.327 -8.266 1.00 0.27 N ATOM 189 CA ARG A 303 10.284 1.072 -8.201 1.00 0.30 C ATOM 190 C ARG A 303 11.614 1.248 -7.470 1.00 0.26 C ATOM 191 O ARG A 303 12.601 0.581 -7.781 1.00 0.29 O ATOM 192 CB ARG A 303 10.514 0.488 -9.600 1.00 0.41 C ATOM 193 CG ARG A 303 9.237 0.309 -10.414 1.00 0.54 C ATOM 194 CD ARG A 303 8.167 -0.464 -9.655 1.00 0.66 C ATOM 195 NE ARG A 303 8.571 -1.835 -9.339 1.00 1.24 N ATOM 196 CZ ARG A 303 7.949 -2.610 -8.446 1.00 1.48 C ATOM 197 NH1 ARG A 303 6.946 -2.129 -7.720 1.00 1.13 N ATOM 198 NH2 ARG A 303 8.344 -3.861 -8.263 1.00 2.38 N ATOM 0 H ARG A 303 8.593 2.262 -7.863 1.00 0.27 H new ATOM 0 HA ARG A 303 9.680 0.367 -7.629 1.00 0.30 H new ATOM 0 HB2 ARG A 303 11.194 1.141 -10.148 1.00 0.41 H new ATOM 0 HB3 ARG A 303 11.009 -0.478 -9.503 1.00 0.41 H new ATOM 0 HG2 ARG A 303 8.846 1.288 -10.691 1.00 0.54 H new ATOM 0 HG3 ARG A 303 9.471 -0.215 -11.341 1.00 0.54 H new ATOM 0 HD2 ARG A 303 7.933 0.063 -8.730 1.00 0.66 H new ATOM 0 HD3 ARG A 303 7.253 -0.488 -10.249 1.00 0.66 H new ATOM 0 HE ARG A 303 9.376 -2.222 -9.831 1.00 1.24 H new ATOM 0 HH11 ARG A 303 6.646 -1.162 -7.842 1.00 1.13 H new ATOM 0 HH12 ARG A 303 6.476 -2.727 -7.040 1.00 1.13 H new ATOM 0 HH21 ARG A 303 9.124 -4.234 -8.804 1.00 2.38 H new ATOM 0 HH22 ARG A 303 7.868 -4.451 -7.581 1.00 2.38 H new ATOM 212 N ASP A 304 11.629 2.141 -6.489 1.00 0.24 N ATOM 213 CA ASP A 304 12.820 2.372 -5.682 1.00 0.27 C ATOM 214 C ASP A 304 12.621 1.749 -4.303 1.00 0.24 C ATOM 215 O ASP A 304 11.562 1.190 -4.026 1.00 0.31 O ATOM 216 CB ASP A 304 13.093 3.872 -5.556 1.00 0.34 C ATOM 217 CG ASP A 304 14.554 4.184 -5.290 1.00 0.77 C ATOM 218 OD1 ASP A 304 15.021 3.976 -4.151 1.00 1.54 O ATOM 219 OD2 ASP A 304 15.244 4.642 -6.222 1.00 1.21 O ATOM 0 H ASP A 304 10.828 2.718 -6.233 1.00 0.24 H new ATOM 0 HA ASP A 304 13.680 1.909 -6.165 1.00 0.27 H new ATOM 0 HB2 ASP A 304 12.781 4.372 -6.473 1.00 0.34 H new ATOM 0 HB3 ASP A 304 12.486 4.280 -4.748 1.00 0.34 H new ATOM 224 N GLY A 305 13.615 1.870 -3.436 1.00 0.27 N ATOM 225 CA GLY A 305 13.554 1.226 -2.137 1.00 0.31 C ATOM 226 C GLY A 305 13.747 2.214 -1.003 1.00 0.35 C ATOM 227 O GLY A 305 13.912 3.409 -1.240 1.00 0.70 O ATOM 0 H GLY A 305 14.467 2.404 -3.608 1.00 0.27 H new ATOM 0 HA2 GLY A 305 12.591 0.728 -2.024 1.00 0.31 H new ATOM 0 HA3 GLY A 305 14.321 0.453 -2.079 1.00 0.31 H new ATOM 231 N GLY A 306 13.724 1.724 0.226 1.00 0.33 N ATOM 232 CA GLY A 306 13.894 2.595 1.371 1.00 0.35 C ATOM 233 C GLY A 306 12.740 2.494 2.341 1.00 0.34 C ATOM 234 O GLY A 306 12.395 1.397 2.786 1.00 0.40 O ATOM 0 H GLY A 306 13.591 0.738 0.452 1.00 0.33 H new ATOM 0 HA2 GLY A 306 14.821 2.341 1.884 1.00 0.35 H new ATOM 0 HA3 GLY A 306 13.991 3.626 1.030 1.00 0.35 H new ATOM 238 N GLU A 307 12.151 3.637 2.662 1.00 0.37 N ATOM 239 CA GLU A 307 11.021 3.696 3.580 1.00 0.42 C ATOM 240 C GLU A 307 9.748 3.221 2.883 1.00 0.33 C ATOM 241 O GLU A 307 9.002 4.021 2.315 1.00 0.39 O ATOM 242 CB GLU A 307 10.832 5.119 4.092 1.00 0.59 C ATOM 243 CG GLU A 307 12.119 5.760 4.580 1.00 0.74 C ATOM 244 CD GLU A 307 12.801 4.975 5.681 1.00 1.17 C ATOM 245 OE1 GLU A 307 12.231 4.886 6.789 1.00 1.51 O ATOM 246 OE2 GLU A 307 13.902 4.434 5.439 1.00 1.91 O ATOM 0 H GLU A 307 12.440 4.544 2.297 1.00 0.37 H new ATOM 0 HA GLU A 307 11.226 3.040 4.426 1.00 0.42 H new ATOM 0 HB2 GLU A 307 10.409 5.731 3.295 1.00 0.59 H new ATOM 0 HB3 GLU A 307 10.107 5.111 4.906 1.00 0.59 H new ATOM 0 HG2 GLU A 307 12.805 5.865 3.740 1.00 0.74 H new ATOM 0 HG3 GLU A 307 11.902 6.765 4.941 1.00 0.74 H new ATOM 253 N LEU A 308 9.507 1.922 2.935 1.00 0.24 N ATOM 254 CA LEU A 308 8.404 1.321 2.199 1.00 0.16 C ATOM 255 C LEU A 308 7.213 1.014 3.099 1.00 0.15 C ATOM 256 O LEU A 308 7.365 0.669 4.271 1.00 0.21 O ATOM 257 CB LEU A 308 8.864 0.034 1.512 1.00 0.16 C ATOM 258 CG LEU A 308 9.860 0.215 0.364 1.00 0.15 C ATOM 259 CD1 LEU A 308 10.405 -1.132 -0.072 1.00 0.18 C ATOM 260 CD2 LEU A 308 9.203 0.916 -0.814 1.00 0.14 C ATOM 0 H LEU A 308 10.061 1.261 3.480 1.00 0.24 H new ATOM 0 HA LEU A 308 8.084 2.048 1.452 1.00 0.16 H new ATOM 0 HB2 LEU A 308 9.316 -0.615 2.262 1.00 0.16 H new ATOM 0 HB3 LEU A 308 7.986 -0.485 1.128 1.00 0.16 H new ATOM 0 HG LEU A 308 10.683 0.835 0.719 1.00 0.15 H new ATOM 0 HD11 LEU A 308 11.112 -0.991 -0.889 1.00 0.18 H new ATOM 0 HD12 LEU A 308 10.911 -1.609 0.768 1.00 0.18 H new ATOM 0 HD13 LEU A 308 9.584 -1.765 -0.408 1.00 0.18 H new ATOM 0 HD21 LEU A 308 9.929 1.034 -1.618 1.00 0.14 H new ATOM 0 HD22 LEU A 308 8.362 0.320 -1.169 1.00 0.14 H new ATOM 0 HD23 LEU A 308 8.846 1.897 -0.501 1.00 0.14 H new ATOM 272 N ILE A 309 6.031 1.154 2.528 1.00 0.12 N ATOM 273 CA ILE A 309 4.791 0.765 3.174 1.00 0.12 C ATOM 274 C ILE A 309 3.987 -0.136 2.234 1.00 0.11 C ATOM 275 O ILE A 309 3.573 0.282 1.153 1.00 0.15 O ATOM 276 CB ILE A 309 3.958 2.003 3.598 1.00 0.13 C ATOM 277 CG1 ILE A 309 2.598 1.577 4.163 1.00 0.15 C ATOM 278 CG2 ILE A 309 3.782 2.977 2.438 1.00 0.14 C ATOM 279 CD1 ILE A 309 1.726 2.740 4.585 1.00 0.21 C ATOM 0 H ILE A 309 5.903 1.544 1.594 1.00 0.12 H new ATOM 0 HA ILE A 309 5.031 0.213 4.083 1.00 0.12 H new ATOM 0 HB ILE A 309 4.508 2.520 4.384 1.00 0.13 H new ATOM 0 HG12 ILE A 309 2.069 0.991 3.411 1.00 0.15 H new ATOM 0 HG13 ILE A 309 2.759 0.924 5.021 1.00 0.15 H new ATOM 0 HG21 ILE A 309 3.194 3.833 2.768 1.00 0.14 H new ATOM 0 HG22 ILE A 309 4.760 3.318 2.097 1.00 0.14 H new ATOM 0 HG23 ILE A 309 3.266 2.477 1.618 1.00 0.14 H new ATOM 0 HD11 ILE A 309 0.780 2.363 4.975 1.00 0.21 H new ATOM 0 HD12 ILE A 309 2.235 3.314 5.360 1.00 0.21 H new ATOM 0 HD13 ILE A 309 1.534 3.382 3.725 1.00 0.21 H new ATOM 291 N CYS A 310 3.799 -1.381 2.631 1.00 0.12 N ATOM 292 CA CYS A 310 3.171 -2.365 1.763 1.00 0.12 C ATOM 293 C CYS A 310 1.716 -2.591 2.154 1.00 0.11 C ATOM 294 O CYS A 310 1.344 -2.489 3.328 1.00 0.12 O ATOM 295 CB CYS A 310 3.952 -3.678 1.810 1.00 0.14 C ATOM 296 SG CYS A 310 3.270 -4.995 0.778 1.00 1.36 S ATOM 0 H CYS A 310 4.071 -1.736 3.548 1.00 0.12 H new ATOM 0 HA CYS A 310 3.185 -1.983 0.742 1.00 0.12 H new ATOM 0 HB2 CYS A 310 4.979 -3.486 1.500 1.00 0.14 H new ATOM 0 HB3 CYS A 310 3.991 -4.026 2.842 1.00 0.14 H new ATOM 0 HG CYS A 310 3.948 -5.074 -0.329 1.00 1.36 H new ATOM 302 N CYS A 311 0.901 -2.872 1.147 1.00 0.11 N ATOM 303 CA CYS A 311 -0.524 -3.098 1.323 1.00 0.12 C ATOM 304 C CYS A 311 -0.797 -4.473 1.931 1.00 0.14 C ATOM 305 O CYS A 311 0.028 -5.382 1.818 1.00 0.17 O ATOM 306 CB CYS A 311 -1.222 -2.963 -0.031 1.00 0.16 C ATOM 307 SG CYS A 311 -3.026 -3.188 0.012 1.00 0.20 S ATOM 0 H CYS A 311 1.213 -2.950 0.179 1.00 0.11 H new ATOM 0 HA CYS A 311 -0.916 -2.352 2.015 1.00 0.12 H new ATOM 0 HB2 CYS A 311 -1.003 -1.976 -0.439 1.00 0.16 H new ATOM 0 HB3 CYS A 311 -0.796 -3.694 -0.718 1.00 0.16 H new ATOM 312 N ASP A 312 -1.931 -4.613 2.603 1.00 0.19 N ATOM 313 CA ASP A 312 -2.324 -5.899 3.177 1.00 0.26 C ATOM 314 C ASP A 312 -2.478 -6.976 2.102 1.00 0.27 C ATOM 315 O ASP A 312 -1.675 -7.906 2.026 1.00 0.31 O ATOM 316 CB ASP A 312 -3.613 -5.778 3.994 1.00 0.35 C ATOM 317 CG ASP A 312 -4.089 -7.128 4.500 1.00 0.53 C ATOM 318 OD1 ASP A 312 -3.291 -7.842 5.149 1.00 0.66 O ATOM 319 OD2 ASP A 312 -5.264 -7.481 4.257 1.00 0.64 O ATOM 0 H ASP A 312 -2.596 -3.856 2.766 1.00 0.19 H new ATOM 0 HA ASP A 312 -1.520 -6.203 3.847 1.00 0.26 H new ATOM 0 HB2 ASP A 312 -3.446 -5.111 4.840 1.00 0.35 H new ATOM 0 HB3 ASP A 312 -4.391 -5.325 3.380 1.00 0.35 H new ATOM 324 N GLY A 313 -3.501 -6.841 1.267 1.00 0.29 N ATOM 325 CA GLY A 313 -3.807 -7.871 0.289 1.00 0.37 C ATOM 326 C GLY A 313 -3.011 -7.748 -0.996 1.00 0.28 C ATOM 327 O GLY A 313 -3.203 -8.536 -1.922 1.00 0.31 O ATOM 0 H GLY A 313 -4.126 -6.035 1.249 1.00 0.29 H new ATOM 0 HA2 GLY A 313 -3.616 -8.848 0.732 1.00 0.37 H new ATOM 0 HA3 GLY A 313 -4.870 -7.831 0.053 1.00 0.37 H new ATOM 331 N CYS A 314 -2.124 -6.769 -1.065 1.00 0.25 N ATOM 332 CA CYS A 314 -1.306 -6.570 -2.253 1.00 0.24 C ATOM 333 C CYS A 314 0.158 -6.393 -1.876 1.00 0.18 C ATOM 334 O CYS A 314 0.493 -5.550 -1.047 1.00 0.17 O ATOM 335 CB CYS A 314 -1.792 -5.362 -3.052 1.00 0.35 C ATOM 336 SG CYS A 314 -3.493 -5.521 -3.691 1.00 1.34 S ATOM 0 H CYS A 314 -1.951 -6.100 -0.315 1.00 0.25 H new ATOM 0 HA CYS A 314 -1.401 -7.459 -2.877 1.00 0.24 H new ATOM 0 HB2 CYS A 314 -1.735 -4.476 -2.420 1.00 0.35 H new ATOM 0 HB3 CYS A 314 -1.115 -5.199 -3.891 1.00 0.35 H new ATOM 341 N PRO A 315 1.048 -7.183 -2.503 1.00 0.22 N ATOM 342 CA PRO A 315 2.483 -7.191 -2.182 1.00 0.23 C ATOM 343 C PRO A 315 3.190 -5.877 -2.518 1.00 0.19 C ATOM 344 O PRO A 315 4.336 -5.672 -2.126 1.00 0.22 O ATOM 345 CB PRO A 315 3.043 -8.325 -3.045 1.00 0.33 C ATOM 346 CG PRO A 315 2.061 -8.491 -4.152 1.00 0.52 C ATOM 347 CD PRO A 315 0.719 -8.144 -3.569 1.00 0.31 C ATOM 0 HA PRO A 315 2.641 -7.323 -1.112 1.00 0.23 H new ATOM 0 HB2 PRO A 315 4.032 -8.076 -3.429 1.00 0.33 H new ATOM 0 HB3 PRO A 315 3.147 -9.244 -2.469 1.00 0.33 H new ATOM 0 HG2 PRO A 315 2.303 -7.838 -4.990 1.00 0.52 H new ATOM 0 HG3 PRO A 315 2.069 -9.513 -4.532 1.00 0.52 H new ATOM 0 HD2 PRO A 315 0.058 -7.705 -4.316 1.00 0.31 H new ATOM 0 HD3 PRO A 315 0.213 -9.025 -3.174 1.00 0.31 H new ATOM 355 N ARG A 316 2.506 -4.996 -3.243 1.00 0.18 N ATOM 356 CA ARG A 316 3.068 -3.699 -3.602 1.00 0.18 C ATOM 357 C ARG A 316 3.401 -2.884 -2.360 1.00 0.14 C ATOM 358 O ARG A 316 2.571 -2.739 -1.457 1.00 0.17 O ATOM 359 CB ARG A 316 2.100 -2.890 -4.469 1.00 0.22 C ATOM 360 CG ARG A 316 1.949 -3.393 -5.894 1.00 0.32 C ATOM 361 CD ARG A 316 1.107 -2.425 -6.714 1.00 0.39 C ATOM 362 NE ARG A 316 0.921 -2.864 -8.093 1.00 0.67 N ATOM 363 CZ ARG A 316 -0.257 -3.180 -8.629 1.00 0.87 C ATOM 364 NH1 ARG A 316 -1.360 -3.149 -7.886 1.00 1.30 N ATOM 365 NH2 ARG A 316 -0.326 -3.519 -9.908 1.00 1.11 N ATOM 0 H ARG A 316 1.562 -5.157 -3.593 1.00 0.18 H new ATOM 0 HA ARG A 316 3.979 -3.898 -4.167 1.00 0.18 H new ATOM 0 HB2 ARG A 316 1.120 -2.891 -3.992 1.00 0.22 H new ATOM 0 HB3 ARG A 316 2.439 -1.854 -4.498 1.00 0.22 H new ATOM 0 HG2 ARG A 316 2.932 -3.507 -6.352 1.00 0.32 H new ATOM 0 HG3 ARG A 316 1.482 -4.378 -5.891 1.00 0.32 H new ATOM 0 HD2 ARG A 316 0.132 -2.308 -6.240 1.00 0.39 H new ATOM 0 HD3 ARG A 316 1.583 -1.444 -6.711 1.00 0.39 H new ATOM 0 HE ARG A 316 1.748 -2.934 -8.686 1.00 0.67 H new ATOM 0 HH11 ARG A 316 -1.305 -2.883 -6.903 1.00 1.30 H new ATOM 0 HH12 ARG A 316 -2.260 -3.391 -8.299 1.00 1.30 H new ATOM 0 HH21 ARG A 316 0.520 -3.537 -10.477 1.00 1.11 H new ATOM 0 HH22 ARG A 316 -1.225 -3.762 -10.323 1.00 1.11 H new ATOM 379 N ALA A 317 4.613 -2.363 -2.328 1.00 0.12 N ATOM 380 CA ALA A 317 5.025 -1.437 -1.290 1.00 0.11 C ATOM 381 C ALA A 317 5.201 -0.058 -1.905 1.00 0.10 C ATOM 382 O ALA A 317 5.429 0.059 -3.108 1.00 0.14 O ATOM 383 CB ALA A 317 6.312 -1.905 -0.626 1.00 0.14 C ATOM 0 H ALA A 317 5.336 -2.568 -3.017 1.00 0.12 H new ATOM 0 HA ALA A 317 4.258 -1.393 -0.516 1.00 0.11 H new ATOM 0 HB1 ALA A 317 6.601 -1.195 0.149 1.00 0.14 H new ATOM 0 HB2 ALA A 317 6.154 -2.886 -0.178 1.00 0.14 H new ATOM 0 HB3 ALA A 317 7.104 -1.970 -1.372 1.00 0.14 H new ATOM 389 N PHE A 318 5.060 0.981 -1.104 1.00 0.11 N ATOM 390 CA PHE A 318 5.126 2.344 -1.614 1.00 0.10 C ATOM 391 C PHE A 318 6.018 3.214 -0.742 1.00 0.11 C ATOM 392 O PHE A 318 6.369 2.836 0.370 1.00 0.14 O ATOM 393 CB PHE A 318 3.729 2.972 -1.644 1.00 0.12 C ATOM 394 CG PHE A 318 2.699 2.220 -2.438 1.00 0.13 C ATOM 395 CD1 PHE A 318 2.066 1.112 -1.900 1.00 0.15 C ATOM 396 CD2 PHE A 318 2.343 2.639 -3.707 1.00 0.18 C ATOM 397 CE1 PHE A 318 1.099 0.438 -2.612 1.00 0.19 C ATOM 398 CE2 PHE A 318 1.368 1.971 -4.423 1.00 0.21 C ATOM 399 CZ PHE A 318 0.748 0.866 -3.874 1.00 0.21 C ATOM 0 H PHE A 318 4.899 0.911 -0.099 1.00 0.11 H new ATOM 0 HA PHE A 318 5.539 2.292 -2.621 1.00 0.10 H new ATOM 0 HB2 PHE A 318 3.372 3.070 -0.619 1.00 0.12 H new ATOM 0 HB3 PHE A 318 3.811 3.980 -2.051 1.00 0.12 H new ATOM 0 HD1 PHE A 318 2.334 0.773 -0.910 1.00 0.15 H new ATOM 0 HD2 PHE A 318 2.832 3.497 -4.143 1.00 0.18 H new ATOM 0 HE1 PHE A 318 0.616 -0.426 -2.181 1.00 0.19 H new ATOM 0 HE2 PHE A 318 1.092 2.312 -5.410 1.00 0.21 H new ATOM 0 HZ PHE A 318 -0.011 0.338 -4.433 1.00 0.21 H new ATOM 409 N HIS A 319 6.376 4.379 -1.262 1.00 0.11 N ATOM 410 CA HIS A 319 7.032 5.401 -0.469 1.00 0.12 C ATOM 411 C HIS A 319 5.987 6.390 0.016 1.00 0.12 C ATOM 412 O HIS A 319 5.016 6.648 -0.701 1.00 0.13 O ATOM 413 CB HIS A 319 8.102 6.139 -1.279 1.00 0.14 C ATOM 414 CG HIS A 319 9.328 5.329 -1.568 1.00 0.14 C ATOM 415 ND1 HIS A 319 9.625 4.912 -2.841 1.00 0.16 N ATOM 416 CD2 HIS A 319 10.305 4.913 -0.727 1.00 0.17 C ATOM 417 CE1 HIS A 319 10.768 4.257 -2.749 1.00 0.18 C ATOM 418 NE2 HIS A 319 11.220 4.232 -1.489 1.00 0.18 N ATOM 0 H HIS A 319 6.221 4.638 -2.236 1.00 0.11 H new ATOM 0 HA HIS A 319 7.526 4.922 0.376 1.00 0.12 H new ATOM 0 HB2 HIS A 319 7.665 6.464 -2.223 1.00 0.14 H new ATOM 0 HB3 HIS A 319 8.395 7.038 -0.737 1.00 0.14 H new ATOM 0 HD2 HIS A 319 10.354 5.084 0.338 1.00 0.17 H new ATOM 0 HE1 HIS A 319 11.275 3.799 -3.585 1.00 0.18 H new ATOM 0 HE2 HIS A 319 12.079 3.792 -1.159 1.00 0.18 H new ATOM 426 N LEU A 320 6.173 6.942 1.204 1.00 0.14 N ATOM 427 CA LEU A 320 5.155 7.789 1.815 1.00 0.15 C ATOM 428 C LEU A 320 4.786 8.966 0.918 1.00 0.14 C ATOM 429 O LEU A 320 3.609 9.182 0.624 1.00 0.15 O ATOM 430 CB LEU A 320 5.615 8.291 3.184 1.00 0.18 C ATOM 431 CG LEU A 320 5.777 7.204 4.247 1.00 0.22 C ATOM 432 CD1 LEU A 320 6.215 7.816 5.566 1.00 0.27 C ATOM 433 CD2 LEU A 320 4.479 6.431 4.420 1.00 0.23 C ATOM 0 H LEU A 320 7.016 6.821 1.765 1.00 0.14 H new ATOM 0 HA LEU A 320 4.263 7.177 1.947 1.00 0.15 H new ATOM 0 HB2 LEU A 320 6.568 8.807 3.064 1.00 0.18 H new ATOM 0 HB3 LEU A 320 4.897 9.028 3.545 1.00 0.18 H new ATOM 0 HG LEU A 320 6.548 6.508 3.917 1.00 0.22 H new ATOM 0 HD11 LEU A 320 6.326 7.030 6.313 1.00 0.27 H new ATOM 0 HD12 LEU A 320 7.169 8.326 5.431 1.00 0.27 H new ATOM 0 HD13 LEU A 320 5.465 8.532 5.902 1.00 0.27 H new ATOM 0 HD21 LEU A 320 4.612 5.661 5.180 1.00 0.23 H new ATOM 0 HD22 LEU A 320 3.688 7.114 4.730 1.00 0.23 H new ATOM 0 HD23 LEU A 320 4.205 5.963 3.474 1.00 0.23 H new ATOM 445 N ALA A 321 5.794 9.697 0.461 1.00 0.15 N ATOM 446 CA ALA A 321 5.578 10.890 -0.349 1.00 0.16 C ATOM 447 C ALA A 321 5.166 10.539 -1.779 1.00 0.16 C ATOM 448 O ALA A 321 4.619 11.373 -2.498 1.00 0.20 O ATOM 449 CB ALA A 321 6.840 11.734 -0.362 1.00 0.19 C ATOM 0 H ALA A 321 6.775 9.483 0.639 1.00 0.15 H new ATOM 0 HA ALA A 321 4.761 11.456 0.098 1.00 0.16 H new ATOM 0 HB1 ALA A 321 6.676 12.625 -0.968 1.00 0.19 H new ATOM 0 HB2 ALA A 321 7.091 12.029 0.657 1.00 0.19 H new ATOM 0 HB3 ALA A 321 7.661 11.154 -0.784 1.00 0.19 H new ATOM 455 N CYS A 322 5.451 9.312 -2.192 1.00 0.15 N ATOM 456 CA CYS A 322 5.095 8.862 -3.533 1.00 0.16 C ATOM 457 C CYS A 322 3.621 8.485 -3.609 1.00 0.14 C ATOM 458 O CYS A 322 3.043 8.403 -4.694 1.00 0.18 O ATOM 459 CB CYS A 322 5.967 7.678 -3.945 1.00 0.17 C ATOM 460 SG CYS A 322 7.748 8.058 -4.027 1.00 0.21 S ATOM 0 H CYS A 322 5.926 8.612 -1.622 1.00 0.15 H new ATOM 0 HA CYS A 322 5.271 9.686 -4.225 1.00 0.16 H new ATOM 0 HB2 CYS A 322 5.813 6.863 -3.238 1.00 0.17 H new ATOM 0 HB3 CYS A 322 5.638 7.320 -4.920 1.00 0.17 H new ATOM 465 N LEU A 323 3.017 8.233 -2.457 1.00 0.13 N ATOM 466 CA LEU A 323 1.592 7.966 -2.389 1.00 0.15 C ATOM 467 C LEU A 323 0.787 9.236 -2.618 1.00 0.19 C ATOM 468 O LEU A 323 1.280 10.343 -2.422 1.00 0.20 O ATOM 469 CB LEU A 323 1.227 7.357 -1.038 1.00 0.15 C ATOM 470 CG LEU A 323 1.570 5.881 -0.889 1.00 0.15 C ATOM 471 CD1 LEU A 323 1.375 5.434 0.549 1.00 0.19 C ATOM 472 CD2 LEU A 323 0.709 5.052 -1.828 1.00 0.20 C ATOM 0 H LEU A 323 3.495 8.208 -1.556 1.00 0.13 H new ATOM 0 HA LEU A 323 1.347 7.255 -3.178 1.00 0.15 H new ATOM 0 HB2 LEU A 323 1.738 7.915 -0.254 1.00 0.15 H new ATOM 0 HB3 LEU A 323 0.157 7.485 -0.875 1.00 0.15 H new ATOM 0 HG LEU A 323 2.617 5.734 -1.152 1.00 0.15 H new ATOM 0 HD11 LEU A 323 1.624 4.377 0.638 1.00 0.19 H new ATOM 0 HD12 LEU A 323 2.025 6.017 1.202 1.00 0.19 H new ATOM 0 HD13 LEU A 323 0.336 5.587 0.840 1.00 0.19 H new ATOM 0 HD21 LEU A 323 0.960 3.997 -1.716 1.00 0.20 H new ATOM 0 HD22 LEU A 323 -0.343 5.203 -1.585 1.00 0.20 H new ATOM 0 HD23 LEU A 323 0.892 5.361 -2.857 1.00 0.20 H new ATOM 484 N SER A 324 -0.443 9.060 -3.056 1.00 0.24 N ATOM 485 CA SER A 324 -1.354 10.167 -3.254 1.00 0.30 C ATOM 486 C SER A 324 -2.748 9.767 -2.782 1.00 0.33 C ATOM 487 O SER A 324 -3.405 8.935 -3.410 1.00 0.38 O ATOM 488 CB SER A 324 -1.360 10.563 -4.729 1.00 0.39 C ATOM 489 OG SER A 324 -2.159 11.712 -4.968 1.00 0.93 O ATOM 0 H SER A 324 -0.838 8.148 -3.284 1.00 0.24 H new ATOM 0 HA SER A 324 -1.030 11.029 -2.671 1.00 0.30 H new ATOM 0 HB2 SER A 324 -0.339 10.757 -5.056 1.00 0.39 H new ATOM 0 HB3 SER A 324 -1.733 9.731 -5.326 1.00 0.39 H new ATOM 0 HG SER A 324 -2.136 11.934 -5.922 1.00 0.93 H new ATOM 495 N PRO A 325 -3.217 10.327 -1.656 1.00 0.33 N ATOM 496 CA PRO A 325 -2.471 11.307 -0.854 1.00 0.30 C ATOM 497 C PRO A 325 -1.331 10.672 -0.057 1.00 0.26 C ATOM 498 O PRO A 325 -1.443 9.540 0.417 1.00 0.31 O ATOM 499 CB PRO A 325 -3.531 11.873 0.108 1.00 0.35 C ATOM 500 CG PRO A 325 -4.840 11.350 -0.383 1.00 0.61 C ATOM 501 CD PRO A 325 -4.527 10.056 -1.068 1.00 0.40 C ATOM 0 HA PRO A 325 -1.997 12.058 -1.486 1.00 0.30 H new ATOM 0 HB2 PRO A 325 -3.341 11.553 1.133 1.00 0.35 H new ATOM 0 HB3 PRO A 325 -3.519 12.963 0.107 1.00 0.35 H new ATOM 0 HG2 PRO A 325 -5.536 11.198 0.442 1.00 0.61 H new ATOM 0 HG3 PRO A 325 -5.310 12.053 -1.070 1.00 0.61 H new ATOM 0 HD2 PRO A 325 -4.494 9.222 -0.367 1.00 0.40 H new ATOM 0 HD3 PRO A 325 -5.270 9.806 -1.826 1.00 0.40 H new ATOM 509 N PRO A 326 -0.215 11.402 0.083 1.00 0.22 N ATOM 510 CA PRO A 326 0.968 10.935 0.813 1.00 0.20 C ATOM 511 C PRO A 326 0.733 10.858 2.318 1.00 0.21 C ATOM 512 O PRO A 326 0.205 11.795 2.924 1.00 0.28 O ATOM 513 CB PRO A 326 2.044 11.986 0.502 1.00 0.20 C ATOM 514 CG PRO A 326 1.474 12.858 -0.572 1.00 0.42 C ATOM 515 CD PRO A 326 -0.018 12.743 -0.471 1.00 0.27 C ATOM 0 HA PRO A 326 1.244 9.925 0.509 1.00 0.20 H new ATOM 0 HB2 PRO A 326 2.287 12.570 1.390 1.00 0.20 H new ATOM 0 HB3 PRO A 326 2.968 11.512 0.170 1.00 0.20 H new ATOM 0 HG2 PRO A 326 1.793 13.892 -0.441 1.00 0.42 H new ATOM 0 HG3 PRO A 326 1.821 12.539 -1.555 1.00 0.42 H new ATOM 0 HD2 PRO A 326 -0.438 13.512 0.177 1.00 0.27 H new ATOM 0 HD3 PRO A 326 -0.497 12.851 -1.444 1.00 0.27 H new ATOM 523 N LEU A 327 1.139 9.744 2.914 1.00 0.23 N ATOM 524 CA LEU A 327 0.976 9.529 4.348 1.00 0.25 C ATOM 525 C LEU A 327 2.121 10.172 5.122 1.00 0.25 C ATOM 526 O LEU A 327 3.292 9.970 4.800 1.00 0.32 O ATOM 527 CB LEU A 327 0.909 8.030 4.679 1.00 0.29 C ATOM 528 CG LEU A 327 -0.442 7.338 4.438 1.00 0.35 C ATOM 529 CD1 LEU A 327 -1.543 8.024 5.233 1.00 1.03 C ATOM 530 CD2 LEU A 327 -0.785 7.301 2.955 1.00 0.81 C ATOM 0 H LEU A 327 1.587 8.970 2.423 1.00 0.23 H new ATOM 0 HA LEU A 327 0.037 9.995 4.646 1.00 0.25 H new ATOM 0 HB2 LEU A 327 1.667 7.515 4.088 1.00 0.29 H new ATOM 0 HB3 LEU A 327 1.178 7.899 5.727 1.00 0.29 H new ATOM 0 HG LEU A 327 -0.360 6.308 4.784 1.00 0.35 H new ATOM 0 HD11 LEU A 327 -2.492 7.520 5.050 1.00 1.03 H new ATOM 0 HD12 LEU A 327 -1.307 7.978 6.296 1.00 1.03 H new ATOM 0 HD13 LEU A 327 -1.620 9.066 4.924 1.00 1.03 H new ATOM 0 HD21 LEU A 327 -1.746 6.806 2.816 1.00 0.81 H new ATOM 0 HD22 LEU A 327 -0.842 8.319 2.569 1.00 0.81 H new ATOM 0 HD23 LEU A 327 -0.013 6.752 2.416 1.00 0.81 H new ATOM 542 N ARG A 328 1.774 10.956 6.136 1.00 0.25 N ATOM 543 CA ARG A 328 2.777 11.617 6.962 1.00 0.29 C ATOM 544 C ARG A 328 3.310 10.668 8.032 1.00 0.28 C ATOM 545 O ARG A 328 4.432 10.827 8.516 1.00 0.34 O ATOM 546 CB ARG A 328 2.210 12.885 7.616 1.00 0.38 C ATOM 547 CG ARG A 328 1.209 12.631 8.732 1.00 0.50 C ATOM 548 CD ARG A 328 -0.180 12.311 8.201 1.00 0.93 C ATOM 549 NE ARG A 328 -1.065 11.858 9.270 1.00 1.56 N ATOM 550 CZ ARG A 328 -1.898 12.653 9.938 1.00 2.11 C ATOM 551 NH1 ARG A 328 -2.023 13.926 9.593 1.00 2.14 N ATOM 552 NH2 ARG A 328 -2.624 12.169 10.935 1.00 3.15 N ATOM 0 H ARG A 328 0.809 11.149 6.405 1.00 0.25 H new ATOM 0 HA ARG A 328 3.601 11.907 6.310 1.00 0.29 H new ATOM 0 HB2 ARG A 328 3.037 13.473 8.015 1.00 0.38 H new ATOM 0 HB3 ARG A 328 1.730 13.491 6.847 1.00 0.38 H new ATOM 0 HG2 ARG A 328 1.559 11.804 9.349 1.00 0.50 H new ATOM 0 HG3 ARG A 328 1.156 13.509 9.376 1.00 0.50 H new ATOM 0 HD2 ARG A 328 -0.603 13.196 7.726 1.00 0.93 H new ATOM 0 HD3 ARG A 328 -0.110 11.541 7.433 1.00 0.93 H new ATOM 0 HE ARG A 328 -1.044 10.870 9.521 1.00 1.56 H new ATOM 0 HH11 ARG A 328 -1.480 14.299 8.814 1.00 2.14 H new ATOM 0 HH12 ARG A 328 -2.662 14.533 10.106 1.00 2.14 H new ATOM 0 HH21 ARG A 328 -2.545 11.185 11.192 1.00 3.15 H new ATOM 0 HH22 ARG A 328 -3.261 12.780 11.445 1.00 3.15 H new ATOM 566 N GLU A 329 2.493 9.692 8.404 1.00 0.26 N ATOM 567 CA GLU A 329 2.893 8.678 9.369 1.00 0.30 C ATOM 568 C GLU A 329 2.277 7.332 9.010 1.00 0.22 C ATOM 569 O GLU A 329 1.288 7.265 8.278 1.00 0.27 O ATOM 570 CB GLU A 329 2.532 9.093 10.806 1.00 0.47 C ATOM 571 CG GLU A 329 1.249 9.905 10.948 1.00 0.71 C ATOM 572 CD GLU A 329 -0.010 9.100 10.705 1.00 1.11 C ATOM 573 OE1 GLU A 329 -0.413 8.332 11.602 1.00 1.23 O ATOM 574 OE2 GLU A 329 -0.621 9.258 9.628 1.00 1.57 O ATOM 0 H GLU A 329 1.543 9.581 8.049 1.00 0.26 H new ATOM 0 HA GLU A 329 3.978 8.580 9.327 1.00 0.30 H new ATOM 0 HB2 GLU A 329 2.442 8.193 11.414 1.00 0.47 H new ATOM 0 HB3 GLU A 329 3.358 9.674 11.217 1.00 0.47 H new ATOM 0 HG2 GLU A 329 1.209 10.332 11.950 1.00 0.71 H new ATOM 0 HG3 GLU A 329 1.278 10.739 10.247 1.00 0.71 H new ATOM 581 N ILE A 330 2.900 6.270 9.498 1.00 0.21 N ATOM 582 CA ILE A 330 2.490 4.914 9.172 1.00 0.19 C ATOM 583 C ILE A 330 1.221 4.497 9.909 1.00 0.20 C ATOM 584 O ILE A 330 1.164 4.506 11.138 1.00 0.27 O ATOM 585 CB ILE A 330 3.626 3.909 9.458 1.00 0.25 C ATOM 586 CG1 ILE A 330 4.763 4.124 8.458 1.00 0.28 C ATOM 587 CG2 ILE A 330 3.120 2.473 9.405 1.00 0.26 C ATOM 588 CD1 ILE A 330 4.316 4.026 7.013 1.00 0.26 C ATOM 0 H ILE A 330 3.700 6.324 10.128 1.00 0.21 H new ATOM 0 HA ILE A 330 2.267 4.904 8.105 1.00 0.19 H new ATOM 0 HB ILE A 330 4.001 4.083 10.467 1.00 0.25 H new ATOM 0 HG12 ILE A 330 5.207 5.105 8.628 1.00 0.28 H new ATOM 0 HG13 ILE A 330 5.543 3.385 8.641 1.00 0.28 H new ATOM 0 HG21 ILE A 330 3.944 1.789 9.611 1.00 0.26 H new ATOM 0 HG22 ILE A 330 2.339 2.335 10.152 1.00 0.26 H new ATOM 0 HG23 ILE A 330 2.715 2.266 8.414 1.00 0.26 H new ATOM 0 HD11 ILE A 330 5.170 4.188 6.356 1.00 0.26 H new ATOM 0 HD12 ILE A 330 3.899 3.036 6.828 1.00 0.26 H new ATOM 0 HD13 ILE A 330 3.557 4.783 6.815 1.00 0.26 H new ATOM 600 N PRO A 331 0.191 4.120 9.134 1.00 0.19 N ATOM 601 CA PRO A 331 -1.079 3.633 9.675 1.00 0.23 C ATOM 602 C PRO A 331 -0.904 2.380 10.522 1.00 0.24 C ATOM 603 O PRO A 331 -0.182 1.450 10.145 1.00 0.29 O ATOM 604 CB PRO A 331 -1.923 3.308 8.442 1.00 0.29 C ATOM 605 CG PRO A 331 -0.998 3.345 7.269 1.00 0.27 C ATOM 606 CD PRO A 331 0.198 4.161 7.666 1.00 0.19 C ATOM 0 HA PRO A 331 -1.534 4.376 10.330 1.00 0.23 H new ATOM 0 HB2 PRO A 331 -2.387 2.327 8.538 1.00 0.29 H new ATOM 0 HB3 PRO A 331 -2.729 4.032 8.323 1.00 0.29 H new ATOM 0 HG2 PRO A 331 -0.697 2.336 6.985 1.00 0.27 H new ATOM 0 HG3 PRO A 331 -1.493 3.785 6.404 1.00 0.27 H new ATOM 0 HD2 PRO A 331 1.119 3.742 7.260 1.00 0.19 H new ATOM 0 HD3 PRO A 331 0.123 5.183 7.296 1.00 0.19 H new ATOM 614 N SER A 332 -1.611 2.329 11.637 1.00 0.34 N ATOM 615 CA SER A 332 -1.458 1.239 12.587 1.00 0.45 C ATOM 616 C SER A 332 -2.486 0.142 12.324 1.00 0.37 C ATOM 617 O SER A 332 -3.245 -0.252 13.210 1.00 0.60 O ATOM 618 CB SER A 332 -1.585 1.763 14.018 1.00 0.67 C ATOM 619 OG SER A 332 -0.618 2.770 14.272 1.00 1.66 O ATOM 0 H SER A 332 -2.299 3.032 11.908 1.00 0.34 H new ATOM 0 HA SER A 332 -0.465 0.808 12.460 1.00 0.45 H new ATOM 0 HB2 SER A 332 -2.586 2.165 14.176 1.00 0.67 H new ATOM 0 HB3 SER A 332 -1.456 0.942 14.724 1.00 0.67 H new ATOM 0 HG SER A 332 -0.717 3.094 15.192 1.00 1.66 H new ATOM 625 N GLY A 333 -2.512 -0.330 11.091 1.00 0.41 N ATOM 626 CA GLY A 333 -3.392 -1.415 10.723 1.00 0.34 C ATOM 627 C GLY A 333 -3.162 -1.854 9.301 1.00 0.36 C ATOM 628 O GLY A 333 -2.177 -1.449 8.676 1.00 0.46 O ATOM 0 H GLY A 333 -1.932 0.024 10.330 1.00 0.41 H new ATOM 0 HA2 GLY A 333 -3.233 -2.258 11.395 1.00 0.34 H new ATOM 0 HA3 GLY A 333 -4.429 -1.101 10.845 1.00 0.34 H new ATOM 632 N THR A 334 -4.069 -2.667 8.789 1.00 0.33 N ATOM 633 CA THR A 334 -3.991 -3.135 7.416 1.00 0.34 C ATOM 634 C THR A 334 -4.176 -1.979 6.447 1.00 0.29 C ATOM 635 O THR A 334 -5.252 -1.383 6.370 1.00 0.35 O ATOM 636 CB THR A 334 -5.046 -4.216 7.135 1.00 0.41 C ATOM 637 OG1 THR A 334 -6.293 -3.856 7.747 1.00 0.58 O ATOM 638 CG2 THR A 334 -4.585 -5.569 7.649 1.00 0.48 C ATOM 0 H THR A 334 -4.874 -3.019 9.308 1.00 0.33 H new ATOM 0 HA THR A 334 -3.002 -3.570 7.273 1.00 0.34 H new ATOM 0 HB THR A 334 -5.184 -4.289 6.056 1.00 0.41 H new ATOM 0 HG1 THR A 334 -6.486 -2.912 7.566 1.00 0.58 H new ATOM 0 HG21 THR A 334 -5.349 -6.318 7.438 1.00 0.48 H new ATOM 0 HG22 THR A 334 -3.656 -5.849 7.153 1.00 0.48 H new ATOM 0 HG23 THR A 334 -4.419 -5.512 8.725 1.00 0.48 H new ATOM 646 N TRP A 335 -3.119 -1.664 5.724 1.00 0.23 N ATOM 647 CA TRP A 335 -3.149 -0.566 4.777 1.00 0.20 C ATOM 648 C TRP A 335 -3.581 -1.080 3.408 1.00 0.17 C ATOM 649 O TRP A 335 -3.296 -2.224 3.053 1.00 0.18 O ATOM 650 CB TRP A 335 -1.778 0.113 4.697 1.00 0.21 C ATOM 651 CG TRP A 335 -1.769 1.309 3.802 1.00 0.20 C ATOM 652 CD1 TRP A 335 -2.187 2.567 4.114 1.00 0.23 C ATOM 653 CD2 TRP A 335 -1.330 1.353 2.444 1.00 0.20 C ATOM 654 NE1 TRP A 335 -2.040 3.394 3.029 1.00 0.24 N ATOM 655 CE2 TRP A 335 -1.516 2.671 1.989 1.00 0.23 C ATOM 656 CE3 TRP A 335 -0.799 0.408 1.572 1.00 0.21 C ATOM 657 CZ2 TRP A 335 -1.188 3.061 0.694 1.00 0.27 C ATOM 658 CZ3 TRP A 335 -0.476 0.794 0.290 1.00 0.26 C ATOM 659 CH2 TRP A 335 -0.673 2.111 -0.140 1.00 0.29 C ATOM 0 H TRP A 335 -2.226 -2.154 5.775 1.00 0.23 H new ATOM 0 HA TRP A 335 -3.871 0.177 5.116 1.00 0.20 H new ATOM 0 HB2 TRP A 335 -1.469 0.413 5.698 1.00 0.21 H new ATOM 0 HB3 TRP A 335 -1.043 -0.607 4.339 1.00 0.21 H new ATOM 0 HD1 TRP A 335 -2.577 2.869 5.075 1.00 0.23 H new ATOM 0 HE1 TRP A 335 -2.281 4.385 3.001 1.00 0.24 H new ATOM 0 HE3 TRP A 335 -0.643 -0.611 1.895 1.00 0.21 H new ATOM 0 HZ2 TRP A 335 -1.335 4.078 0.361 1.00 0.27 H new ATOM 0 HZ3 TRP A 335 -0.064 0.068 -0.395 1.00 0.26 H new ATOM 0 HH2 TRP A 335 -0.412 2.381 -1.153 1.00 0.29 H new ATOM 670 N ARG A 336 -4.268 -0.236 2.649 1.00 0.18 N ATOM 671 CA ARG A 336 -4.790 -0.623 1.347 1.00 0.19 C ATOM 672 C ARG A 336 -4.415 0.407 0.290 1.00 0.21 C ATOM 673 O ARG A 336 -4.620 1.603 0.482 1.00 0.27 O ATOM 674 CB ARG A 336 -6.305 -0.788 1.428 1.00 0.28 C ATOM 675 CG ARG A 336 -6.707 -2.027 2.196 1.00 0.43 C ATOM 676 CD ARG A 336 -8.175 -2.030 2.561 1.00 0.63 C ATOM 677 NE ARG A 336 -8.504 -3.190 3.391 1.00 1.09 N ATOM 678 CZ ARG A 336 -9.078 -3.113 4.594 1.00 1.55 C ATOM 679 NH1 ARG A 336 -9.518 -1.948 5.059 1.00 1.85 N ATOM 680 NH2 ARG A 336 -9.227 -4.205 5.332 1.00 1.99 N ATOM 0 H ARG A 336 -4.477 0.726 2.916 1.00 0.18 H new ATOM 0 HA ARG A 336 -4.347 -1.576 1.057 1.00 0.19 H new ATOM 0 HB2 ARG A 336 -6.739 0.090 1.906 1.00 0.28 H new ATOM 0 HB3 ARG A 336 -6.717 -0.838 0.420 1.00 0.28 H new ATOM 0 HG2 ARG A 336 -6.483 -2.910 1.598 1.00 0.43 H new ATOM 0 HG3 ARG A 336 -6.110 -2.097 3.105 1.00 0.43 H new ATOM 0 HD2 ARG A 336 -8.423 -1.113 3.096 1.00 0.63 H new ATOM 0 HD3 ARG A 336 -8.779 -2.043 1.654 1.00 0.63 H new ATOM 0 HE ARG A 336 -8.280 -4.116 3.027 1.00 1.09 H new ATOM 0 HH11 ARG A 336 -9.418 -1.104 4.496 1.00 1.85 H new ATOM 0 HH12 ARG A 336 -9.955 -1.899 5.979 1.00 1.85 H new ATOM 0 HH21 ARG A 336 -8.903 -5.106 4.981 1.00 1.99 H new ATOM 0 HH22 ARG A 336 -9.666 -4.144 6.251 1.00 1.99 H new ATOM 694 N CYS A 337 -3.856 -0.066 -0.818 1.00 0.24 N ATOM 695 CA CYS A 337 -3.451 0.813 -1.909 1.00 0.32 C ATOM 696 C CYS A 337 -4.670 1.335 -2.661 1.00 0.40 C ATOM 697 O CYS A 337 -5.794 0.889 -2.407 1.00 0.37 O ATOM 698 CB CYS A 337 -2.520 0.065 -2.864 1.00 0.37 C ATOM 699 SG CYS A 337 -3.223 -1.475 -3.539 1.00 0.63 S ATOM 0 H CYS A 337 -3.673 -1.055 -0.985 1.00 0.24 H new ATOM 0 HA CYS A 337 -2.918 1.666 -1.488 1.00 0.32 H new ATOM 0 HB2 CYS A 337 -2.259 0.725 -3.691 1.00 0.37 H new ATOM 0 HB3 CYS A 337 -1.594 -0.171 -2.340 1.00 0.37 H new ATOM 704 N SER A 338 -4.450 2.265 -3.583 1.00 0.53 N ATOM 705 CA SER A 338 -5.530 2.853 -4.367 1.00 0.63 C ATOM 706 C SER A 338 -6.394 1.767 -5.014 1.00 0.62 C ATOM 707 O SER A 338 -7.626 1.842 -4.993 1.00 0.63 O ATOM 708 CB SER A 338 -4.933 3.764 -5.439 1.00 0.81 C ATOM 709 OG SER A 338 -3.912 4.585 -4.890 1.00 1.47 O ATOM 0 H SER A 338 -3.525 2.631 -3.807 1.00 0.53 H new ATOM 0 HA SER A 338 -6.170 3.436 -3.705 1.00 0.63 H new ATOM 0 HB2 SER A 338 -4.524 3.160 -6.250 1.00 0.81 H new ATOM 0 HB3 SER A 338 -5.716 4.388 -5.870 1.00 0.81 H new ATOM 0 HG SER A 338 -3.541 5.159 -5.592 1.00 1.47 H new ATOM 715 N SER A 339 -5.731 0.746 -5.549 1.00 0.64 N ATOM 716 CA SER A 339 -6.393 -0.369 -6.211 1.00 0.69 C ATOM 717 C SER A 339 -7.428 -1.026 -5.293 1.00 0.59 C ATOM 718 O SER A 339 -8.538 -1.341 -5.717 1.00 0.63 O ATOM 719 CB SER A 339 -5.340 -1.395 -6.625 1.00 0.79 C ATOM 720 OG SER A 339 -4.171 -0.745 -7.097 1.00 1.67 O ATOM 0 H SER A 339 -4.714 0.670 -5.534 1.00 0.64 H new ATOM 0 HA SER A 339 -6.918 0.007 -7.089 1.00 0.69 H new ATOM 0 HB2 SER A 339 -5.091 -2.032 -5.776 1.00 0.79 H new ATOM 0 HB3 SER A 339 -5.742 -2.043 -7.403 1.00 0.79 H new ATOM 0 HG SER A 339 -3.506 -1.416 -7.357 1.00 1.67 H new ATOM 726 N CYS A 340 -7.050 -1.218 -4.036 1.00 0.51 N ATOM 727 CA CYS A 340 -7.920 -1.849 -3.049 1.00 0.48 C ATOM 728 C CYS A 340 -9.139 -0.982 -2.758 1.00 0.48 C ATOM 729 O CYS A 340 -10.263 -1.478 -2.676 1.00 0.57 O ATOM 730 CB CYS A 340 -7.145 -2.115 -1.756 1.00 0.45 C ATOM 731 SG CYS A 340 -5.829 -3.363 -1.920 1.00 0.55 S ATOM 0 H CYS A 340 -6.138 -0.943 -3.672 1.00 0.51 H new ATOM 0 HA CYS A 340 -8.267 -2.797 -3.460 1.00 0.48 H new ATOM 0 HB2 CYS A 340 -6.703 -1.180 -1.411 1.00 0.45 H new ATOM 0 HB3 CYS A 340 -7.845 -2.440 -0.986 1.00 0.45 H new ATOM 736 N LEU A 341 -8.914 0.319 -2.626 1.00 0.48 N ATOM 737 CA LEU A 341 -9.974 1.242 -2.252 1.00 0.59 C ATOM 738 C LEU A 341 -10.945 1.451 -3.409 1.00 0.69 C ATOM 739 O LEU A 341 -12.159 1.566 -3.207 1.00 0.85 O ATOM 740 CB LEU A 341 -9.372 2.581 -1.820 1.00 0.66 C ATOM 741 CG LEU A 341 -8.340 2.493 -0.692 1.00 0.62 C ATOM 742 CD1 LEU A 341 -7.790 3.871 -0.364 1.00 0.78 C ATOM 743 CD2 LEU A 341 -8.950 1.853 0.546 1.00 0.65 C ATOM 0 H LEU A 341 -8.005 0.758 -2.773 1.00 0.48 H new ATOM 0 HA LEU A 341 -10.527 0.812 -1.417 1.00 0.59 H new ATOM 0 HB2 LEU A 341 -8.902 3.047 -2.686 1.00 0.66 H new ATOM 0 HB3 LEU A 341 -10.180 3.240 -1.502 1.00 0.66 H new ATOM 0 HG LEU A 341 -7.516 1.865 -1.031 1.00 0.62 H new ATOM 0 HD11 LEU A 341 -7.058 3.789 0.440 1.00 0.78 H new ATOM 0 HD12 LEU A 341 -7.312 4.292 -1.248 1.00 0.78 H new ATOM 0 HD13 LEU A 341 -8.605 4.522 -0.048 1.00 0.78 H new ATOM 0 HD21 LEU A 341 -8.200 1.800 1.335 1.00 0.65 H new ATOM 0 HD22 LEU A 341 -9.794 2.452 0.887 1.00 0.65 H new ATOM 0 HD23 LEU A 341 -9.294 0.847 0.304 1.00 0.65 H new ATOM 755 N GLN A 342 -10.411 1.477 -4.620 1.00 0.68 N ATOM 756 CA GLN A 342 -11.217 1.709 -5.809 1.00 0.81 C ATOM 757 C GLN A 342 -12.024 0.460 -6.173 1.00 0.87 C ATOM 758 O GLN A 342 -12.963 0.520 -6.966 1.00 1.05 O ATOM 759 CB GLN A 342 -10.317 2.108 -6.979 1.00 0.92 C ATOM 760 CG GLN A 342 -11.079 2.685 -8.157 1.00 1.13 C ATOM 761 CD GLN A 342 -10.192 2.961 -9.356 1.00 1.37 C ATOM 762 OE1 GLN A 342 -10.432 3.899 -10.119 1.00 1.79 O ATOM 763 NE2 GLN A 342 -9.175 2.134 -9.547 1.00 1.93 N ATOM 0 H GLN A 342 -9.418 1.340 -4.806 1.00 0.68 H new ATOM 0 HA GLN A 342 -11.915 2.519 -5.598 1.00 0.81 H new ATOM 0 HB2 GLN A 342 -9.588 2.841 -6.633 1.00 0.92 H new ATOM 0 HB3 GLN A 342 -9.757 1.234 -7.311 1.00 0.92 H new ATOM 0 HG2 GLN A 342 -11.868 1.992 -8.447 1.00 1.13 H new ATOM 0 HG3 GLN A 342 -11.565 3.611 -7.850 1.00 1.13 H new ATOM 0 HE21 GLN A 342 -9.010 1.369 -8.893 1.00 1.93 H new ATOM 0 HE22 GLN A 342 -8.557 2.262 -10.349 1.00 1.93 H new ATOM 772 N ALA A 343 -11.667 -0.671 -5.579 1.00 0.84 N ATOM 773 CA ALA A 343 -12.327 -1.930 -5.893 1.00 1.01 C ATOM 774 C ALA A 343 -13.484 -2.206 -4.941 1.00 1.11 C ATOM 775 O ALA A 343 -14.080 -3.282 -4.971 1.00 1.31 O ATOM 776 CB ALA A 343 -11.329 -3.074 -5.855 1.00 1.06 C ATOM 0 H ALA A 343 -10.927 -0.742 -4.880 1.00 0.84 H new ATOM 0 HA ALA A 343 -12.736 -1.849 -6.900 1.00 1.01 H new ATOM 0 HB1 ALA A 343 -11.838 -4.009 -6.092 1.00 1.06 H new ATOM 0 HB2 ALA A 343 -10.541 -2.894 -6.587 1.00 1.06 H new ATOM 0 HB3 ALA A 343 -10.891 -3.142 -4.859 1.00 1.06 H new ATOM 782 N THR A 344 -13.807 -1.232 -4.102 1.00 1.11 N ATOM 783 CA THR A 344 -14.902 -1.381 -3.157 1.00 1.35 C ATOM 784 C THR A 344 -15.964 -0.306 -3.376 1.00 1.98 C ATOM 785 O THR A 344 -16.491 0.272 -2.426 1.00 2.69 O ATOM 786 CB THR A 344 -14.401 -1.333 -1.699 1.00 1.92 C ATOM 787 OG1 THR A 344 -13.438 -0.278 -1.531 1.00 2.52 O ATOM 788 CG2 THR A 344 -13.776 -2.660 -1.294 1.00 2.43 C ATOM 0 H THR A 344 -13.327 -0.333 -4.057 1.00 1.11 H new ATOM 0 HA THR A 344 -15.349 -2.359 -3.334 1.00 1.35 H new ATOM 0 HB THR A 344 -15.262 -1.140 -1.058 1.00 1.92 H new ATOM 0 HG1 THR A 344 -13.131 -0.260 -0.600 1.00 2.52 H new ATOM 0 HG21 THR A 344 -13.431 -2.600 -0.262 1.00 2.43 H new ATOM 0 HG22 THR A 344 -14.518 -3.454 -1.383 1.00 2.43 H new ATOM 0 HG23 THR A 344 -12.931 -2.879 -1.947 1.00 2.43 H new ATOM 796 N VAL A 345 -16.279 -0.053 -4.638 1.00 2.46 N ATOM 797 CA VAL A 345 -17.254 0.972 -4.996 1.00 3.48 C ATOM 798 C VAL A 345 -18.571 0.329 -5.417 1.00 3.77 C ATOM 799 O VAL A 345 -19.639 0.925 -5.290 1.00 4.41 O ATOM 800 CB VAL A 345 -16.725 1.872 -6.137 1.00 4.43 C ATOM 801 CG1 VAL A 345 -17.709 2.989 -6.462 1.00 5.52 C ATOM 802 CG2 VAL A 345 -15.367 2.449 -5.770 1.00 4.61 C ATOM 0 H VAL A 345 -15.873 -0.544 -5.435 1.00 2.46 H new ATOM 0 HA VAL A 345 -17.422 1.593 -4.116 1.00 3.48 H new ATOM 0 HB VAL A 345 -16.615 1.254 -7.028 1.00 4.43 H new ATOM 0 HG11 VAL A 345 -17.308 3.604 -7.268 1.00 5.52 H new ATOM 0 HG12 VAL A 345 -18.660 2.557 -6.774 1.00 5.52 H new ATOM 0 HG13 VAL A 345 -17.864 3.606 -5.577 1.00 5.52 H new ATOM 0 HG21 VAL A 345 -15.008 3.080 -6.583 1.00 4.61 H new ATOM 0 HG22 VAL A 345 -15.458 3.044 -4.862 1.00 4.61 H new ATOM 0 HG23 VAL A 345 -14.660 1.637 -5.602 1.00 4.61 H new ATOM 812 N GLN A 346 -18.477 -0.902 -5.905 1.00 3.72 N ATOM 813 CA GLN A 346 -19.638 -1.640 -6.391 1.00 4.43 C ATOM 814 C GLN A 346 -20.647 -1.864 -5.269 1.00 4.64 C ATOM 815 O GLN A 346 -20.270 -2.108 -4.122 1.00 4.85 O ATOM 816 CB GLN A 346 -19.224 -3.005 -6.961 1.00 4.92 C ATOM 817 CG GLN A 346 -18.042 -2.971 -7.923 1.00 5.36 C ATOM 818 CD GLN A 346 -16.701 -2.937 -7.208 1.00 6.22 C ATOM 819 OE1 GLN A 346 -16.144 -1.870 -6.941 1.00 6.73 O ATOM 820 NE2 GLN A 346 -16.182 -4.105 -6.872 1.00 6.73 N ATOM 0 H GLN A 346 -17.598 -1.415 -5.975 1.00 3.72 H new ATOM 0 HA GLN A 346 -20.094 -1.041 -7.179 1.00 4.43 H new ATOM 0 HB2 GLN A 346 -18.979 -3.669 -6.132 1.00 4.92 H new ATOM 0 HB3 GLN A 346 -20.080 -3.441 -7.476 1.00 4.92 H new ATOM 0 HG2 GLN A 346 -18.081 -3.847 -8.570 1.00 5.36 H new ATOM 0 HG3 GLN A 346 -18.128 -2.095 -8.566 1.00 5.36 H new ATOM 0 HE21 GLN A 346 -16.671 -4.968 -7.110 1.00 6.73 H new ATOM 0 HE22 GLN A 346 -15.292 -4.144 -6.375 1.00 6.73 H new ATOM 829 N GLU A 347 -21.929 -1.769 -5.606 1.00 5.05 N ATOM 830 CA GLU A 347 -22.994 -2.045 -4.652 1.00 5.69 C ATOM 831 C GLU A 347 -22.922 -3.488 -4.173 1.00 6.30 C ATOM 832 O GLU A 347 -22.944 -4.426 -4.976 1.00 6.66 O ATOM 833 CB GLU A 347 -24.370 -1.783 -5.271 1.00 6.27 C ATOM 834 CG GLU A 347 -24.804 -0.324 -5.253 1.00 6.68 C ATOM 835 CD GLU A 347 -23.847 0.596 -5.982 1.00 7.28 C ATOM 836 OE1 GLU A 347 -23.600 0.377 -7.185 1.00 7.60 O ATOM 837 OE2 GLU A 347 -23.354 1.556 -5.359 1.00 7.68 O ATOM 0 H GLU A 347 -22.255 -1.502 -6.535 1.00 5.05 H new ATOM 0 HA GLU A 347 -22.857 -1.375 -3.803 1.00 5.69 H new ATOM 0 HB2 GLU A 347 -24.363 -2.134 -6.303 1.00 6.27 H new ATOM 0 HB3 GLU A 347 -25.113 -2.376 -4.738 1.00 6.27 H new ATOM 0 HG2 GLU A 347 -25.792 -0.241 -5.705 1.00 6.68 H new ATOM 0 HG3 GLU A 347 -24.898 0.007 -4.219 1.00 6.68 H new ATOM 844 N VAL A 348 -22.838 -3.659 -2.863 1.00 6.79 N ATOM 845 CA VAL A 348 -22.798 -4.986 -2.267 1.00 7.69 C ATOM 846 C VAL A 348 -24.213 -5.443 -1.975 1.00 8.41 C ATOM 847 O VAL A 348 -24.498 -6.628 -1.803 1.00 9.19 O ATOM 848 CB VAL A 348 -21.951 -5.015 -0.978 1.00 8.24 C ATOM 849 CG1 VAL A 348 -21.787 -6.438 -0.458 1.00 8.98 C ATOM 850 CG2 VAL A 348 -20.591 -4.375 -1.217 1.00 8.51 C ATOM 0 H VAL A 348 -22.796 -2.893 -2.190 1.00 6.79 H new ATOM 0 HA VAL A 348 -22.325 -5.665 -2.977 1.00 7.69 H new ATOM 0 HB VAL A 348 -22.478 -4.438 -0.218 1.00 8.24 H new ATOM 0 HG11 VAL A 348 -21.186 -6.426 0.451 1.00 8.98 H new ATOM 0 HG12 VAL A 348 -22.768 -6.861 -0.239 1.00 8.98 H new ATOM 0 HG13 VAL A 348 -21.290 -7.047 -1.214 1.00 8.98 H new ATOM 0 HG21 VAL A 348 -20.008 -4.405 -0.296 1.00 8.51 H new ATOM 0 HG22 VAL A 348 -20.064 -4.922 -1.998 1.00 8.51 H new ATOM 0 HG23 VAL A 348 -20.726 -3.339 -1.528 1.00 8.51 H new ATOM 860 N GLN A 349 -25.093 -4.472 -1.949 1.00 8.35 N ATOM 861 CA GLN A 349 -26.515 -4.720 -1.787 1.00 9.25 C ATOM 862 C GLN A 349 -27.165 -4.933 -3.153 1.00 9.81 C ATOM 863 O GLN A 349 -27.113 -4.061 -4.023 1.00 9.85 O ATOM 864 CB GLN A 349 -27.192 -3.563 -1.039 1.00 9.50 C ATOM 865 CG GLN A 349 -26.944 -2.190 -1.648 1.00 9.64 C ATOM 866 CD GLN A 349 -27.806 -1.110 -1.026 1.00 10.09 C ATOM 867 OE1 GLN A 349 -28.915 -0.842 -1.491 1.00 10.30 O ATOM 868 NE2 GLN A 349 -27.300 -0.470 0.016 1.00 10.48 N ATOM 0 H GLN A 349 -24.849 -3.486 -2.039 1.00 8.35 H new ATOM 0 HA GLN A 349 -26.644 -5.623 -1.191 1.00 9.25 H new ATOM 0 HB2 GLN A 349 -28.266 -3.745 -1.009 1.00 9.50 H new ATOM 0 HB3 GLN A 349 -26.840 -3.558 -0.007 1.00 9.50 H new ATOM 0 HG2 GLN A 349 -25.894 -1.927 -1.525 1.00 9.64 H new ATOM 0 HG3 GLN A 349 -27.138 -2.232 -2.720 1.00 9.64 H new ATOM 0 HE21 GLN A 349 -26.378 -0.722 0.371 1.00 10.48 H new ATOM 0 HE22 GLN A 349 -27.832 0.276 0.464 1.00 10.48 H new ATOM 877 N PRO A 350 -27.743 -6.118 -3.375 1.00 10.46 N ATOM 878 CA PRO A 350 -28.421 -6.444 -4.629 1.00 11.22 C ATOM 879 C PRO A 350 -29.778 -5.753 -4.729 1.00 12.02 C ATOM 880 O PRO A 350 -30.250 -5.153 -3.762 1.00 12.51 O ATOM 881 CB PRO A 350 -28.588 -7.960 -4.546 1.00 11.80 C ATOM 882 CG PRO A 350 -28.670 -8.248 -3.093 1.00 11.63 C ATOM 883 CD PRO A 350 -27.786 -7.236 -2.416 1.00 10.74 C ATOM 0 HA PRO A 350 -27.866 -6.115 -5.507 1.00 11.22 H new ATOM 0 HB2 PRO A 350 -29.487 -8.289 -5.067 1.00 11.80 H new ATOM 0 HB3 PRO A 350 -27.746 -8.477 -5.006 1.00 11.80 H new ATOM 0 HG2 PRO A 350 -29.697 -8.168 -2.737 1.00 11.63 H new ATOM 0 HG3 PRO A 350 -28.336 -9.263 -2.878 1.00 11.63 H new ATOM 0 HD2 PRO A 350 -28.196 -6.925 -1.455 1.00 10.74 H new ATOM 0 HD3 PRO A 350 -26.791 -7.638 -2.223 1.00 10.74 H new ATOM 891 N ARG A 351 -30.403 -5.829 -5.894 1.00 12.32 N ATOM 892 CA ARG A 351 -31.704 -5.218 -6.081 1.00 13.21 C ATOM 893 C ARG A 351 -32.813 -6.219 -5.813 1.00 14.01 C ATOM 894 O ARG A 351 -32.934 -7.233 -6.500 1.00 14.62 O ATOM 895 CB ARG A 351 -31.858 -4.637 -7.481 1.00 13.33 C ATOM 896 CG ARG A 351 -31.152 -3.309 -7.647 1.00 13.46 C ATOM 897 CD ARG A 351 -31.672 -2.265 -6.671 1.00 13.60 C ATOM 898 NE ARG A 351 -33.133 -2.168 -6.670 1.00 14.02 N ATOM 899 CZ ARG A 351 -33.804 -1.151 -6.126 1.00 14.33 C ATOM 900 NH1 ARG A 351 -33.143 -0.123 -5.606 1.00 14.26 N ATOM 901 NH2 ARG A 351 -35.132 -1.165 -6.094 1.00 14.87 N ATOM 0 H ARG A 351 -30.032 -6.304 -6.716 1.00 12.32 H new ATOM 0 HA ARG A 351 -31.781 -4.400 -5.364 1.00 13.21 H new ATOM 0 HB2 ARG A 351 -31.464 -5.346 -8.209 1.00 13.33 H new ATOM 0 HB3 ARG A 351 -32.918 -4.510 -7.702 1.00 13.33 H new ATOM 0 HG2 ARG A 351 -30.081 -3.446 -7.496 1.00 13.46 H new ATOM 0 HG3 ARG A 351 -31.287 -2.951 -8.668 1.00 13.46 H new ATOM 0 HD2 ARG A 351 -31.328 -2.510 -5.666 1.00 13.60 H new ATOM 0 HD3 ARG A 351 -31.248 -1.294 -6.925 1.00 13.60 H new ATOM 0 HE ARG A 351 -33.667 -2.918 -7.109 1.00 14.02 H new ATOM 0 HH11 ARG A 351 -32.123 -0.111 -5.623 1.00 14.26 H new ATOM 0 HH12 ARG A 351 -33.655 0.655 -5.190 1.00 14.26 H new ATOM 0 HH21 ARG A 351 -35.643 -1.956 -6.486 1.00 14.87 H new ATOM 0 HH22 ARG A 351 -35.640 -0.385 -5.677 1.00 14.87 H new ATOM 915 N ALA A 352 -33.621 -5.919 -4.816 1.00 14.16 N ATOM 916 CA ALA A 352 -34.764 -6.742 -4.477 1.00 15.05 C ATOM 917 C ALA A 352 -36.022 -5.939 -4.740 1.00 15.58 C ATOM 918 O ALA A 352 -36.345 -5.027 -3.976 1.00 15.81 O ATOM 919 CB ALA A 352 -34.689 -7.188 -3.022 1.00 15.21 C ATOM 0 H ALA A 352 -33.504 -5.100 -4.219 1.00 14.16 H new ATOM 0 HA ALA A 352 -34.773 -7.643 -5.090 1.00 15.05 H new ATOM 0 HB1 ALA A 352 -35.556 -7.805 -2.785 1.00 15.21 H new ATOM 0 HB2 ALA A 352 -33.778 -7.766 -2.865 1.00 15.21 H new ATOM 0 HB3 ALA A 352 -34.679 -6.312 -2.373 1.00 15.21 H new ATOM 925 N GLU A 353 -36.699 -6.263 -5.841 1.00 15.90 N ATOM 926 CA GLU A 353 -37.839 -5.486 -6.321 1.00 16.56 C ATOM 927 C GLU A 353 -37.373 -4.111 -6.789 1.00 17.16 C ATOM 928 O GLU A 353 -37.269 -3.167 -6.008 1.00 17.69 O ATOM 929 CB GLU A 353 -38.931 -5.362 -5.253 1.00 16.64 C ATOM 930 CG GLU A 353 -39.487 -6.701 -4.802 1.00 17.13 C ATOM 931 CD GLU A 353 -40.693 -6.559 -3.902 1.00 17.09 C ATOM 932 OE1 GLU A 353 -40.509 -6.308 -2.695 1.00 17.21 O ATOM 933 OE2 GLU A 353 -41.832 -6.677 -4.395 1.00 17.07 O ATOM 0 H GLU A 353 -36.473 -7.069 -6.423 1.00 15.90 H new ATOM 0 HA GLU A 353 -38.278 -6.016 -7.166 1.00 16.56 H new ATOM 0 HB2 GLU A 353 -38.526 -4.835 -4.389 1.00 16.64 H new ATOM 0 HB3 GLU A 353 -39.745 -4.752 -5.645 1.00 16.64 H new ATOM 0 HG2 GLU A 353 -39.760 -7.290 -5.678 1.00 17.13 H new ATOM 0 HG3 GLU A 353 -38.709 -7.254 -4.276 1.00 17.13 H new ATOM 940 N GLU A 354 -37.070 -4.013 -8.073 1.00 17.19 N ATOM 941 CA GLU A 354 -36.552 -2.783 -8.647 1.00 17.88 C ATOM 942 C GLU A 354 -37.673 -1.771 -8.835 1.00 18.30 C ATOM 943 O GLU A 354 -38.498 -1.953 -9.754 1.00 18.38 O ATOM 944 CB GLU A 354 -35.855 -3.072 -9.976 1.00 17.97 C ATOM 945 CG GLU A 354 -34.645 -3.983 -9.829 1.00 18.18 C ATOM 946 CD GLU A 354 -34.105 -4.460 -11.160 1.00 18.58 C ATOM 947 OE1 GLU A 354 -34.740 -5.338 -11.778 1.00 18.79 O ATOM 948 OE2 GLU A 354 -33.038 -3.977 -11.588 1.00 18.81 O ATOM 949 OXT GLU A 354 -37.728 -0.801 -8.057 1.00 18.67 O ATOM 0 H GLU A 354 -37.175 -4.776 -8.741 1.00 17.19 H new ATOM 0 HA GLU A 354 -35.820 -2.357 -7.960 1.00 17.88 H new ATOM 0 HB2 GLU A 354 -36.568 -3.532 -10.661 1.00 17.97 H new ATOM 0 HB3 GLU A 354 -35.541 -2.131 -10.427 1.00 17.97 H new ATOM 0 HG2 GLU A 354 -33.859 -3.452 -9.293 1.00 18.18 H new ATOM 0 HG3 GLU A 354 -34.918 -4.846 -9.222 1.00 18.18 H new TER 956 GLU A 354 ATOM 957 N ALA B 1 0.532 -1.278 9.112 1.00 0.29 N ATOM 958 CA ALA B 1 0.898 -1.358 7.681 1.00 0.21 C ATOM 959 C ALA B 1 2.131 -2.235 7.508 1.00 0.20 C ATOM 960 O ALA B 1 2.939 -2.363 8.427 1.00 0.28 O ATOM 961 CB ALA B 1 1.133 0.039 7.123 1.00 0.21 C ATOM 0 H1 ALA B 1 -0.468 -1.538 9.230 1.00 0.29 H new ATOM 0 H2 ALA B 1 1.127 -1.932 9.660 1.00 0.29 H new ATOM 0 H3 ALA B 1 0.679 -0.307 9.454 1.00 0.29 H new ATOM 0 HA ALA B 1 0.078 -1.811 7.123 1.00 0.21 H new ATOM 0 HB1 ALA B 1 1.402 -0.031 6.069 1.00 0.21 H new ATOM 0 HB2 ALA B 1 0.223 0.630 7.227 1.00 0.21 H new ATOM 0 HB3 ALA B 1 1.942 0.519 7.673 1.00 0.21 H new ATOM 969 N ARG B 2 2.273 -2.844 6.335 1.00 0.18 N ATOM 970 CA ARG B 2 3.373 -3.767 6.083 1.00 0.19 C ATOM 971 C ARG B 2 4.632 -2.986 5.712 1.00 0.23 C ATOM 972 O ARG B 2 5.049 -2.965 4.557 1.00 0.61 O ATOM 973 CB ARG B 2 2.989 -4.740 4.962 1.00 0.21 C ATOM 974 CG ARG B 2 3.849 -5.989 4.905 1.00 0.24 C ATOM 975 CD ARG B 2 3.445 -6.906 3.758 1.00 0.33 C ATOM 976 NE ARG B 2 1.993 -7.075 3.640 1.00 0.32 N ATOM 977 CZ ARG B 2 1.241 -7.803 4.474 1.00 0.44 C ATOM 978 NH1 ARG B 2 1.781 -8.380 5.541 1.00 0.54 N ATOM 979 NH2 ARG B 2 -0.057 -7.942 4.242 1.00 0.69 N ATOM 0 H ARG B 2 1.641 -2.715 5.545 1.00 0.18 H new ATOM 0 HA ARG B 2 3.577 -4.342 6.986 1.00 0.19 H new ATOM 0 HB2 ARG B 2 1.948 -5.034 5.092 1.00 0.21 H new ATOM 0 HB3 ARG B 2 3.057 -4.221 4.006 1.00 0.21 H new ATOM 0 HG2 ARG B 2 4.895 -5.704 4.791 1.00 0.24 H new ATOM 0 HG3 ARG B 2 3.767 -6.530 5.848 1.00 0.24 H new ATOM 0 HD2 ARG B 2 3.835 -6.502 2.824 1.00 0.33 H new ATOM 0 HD3 ARG B 2 3.908 -7.882 3.901 1.00 0.33 H new ATOM 0 HE ARG B 2 1.523 -6.604 2.867 1.00 0.32 H new ATOM 0 HH11 ARG B 2 2.777 -8.270 5.731 1.00 0.54 H new ATOM 0 HH12 ARG B 2 1.200 -8.933 6.171 1.00 0.54 H new ATOM 0 HH21 ARG B 2 -0.481 -7.495 3.429 1.00 0.69 H new ATOM 0 HH22 ARG B 2 -0.632 -8.496 4.876 1.00 0.69 H new ATOM 993 N THR B 3 5.221 -2.330 6.697 1.00 0.29 N ATOM 994 CA THR B 3 6.341 -1.433 6.460 1.00 0.30 C ATOM 995 C THR B 3 7.653 -2.177 6.242 1.00 0.31 C ATOM 996 O THR B 3 7.857 -3.273 6.766 1.00 0.38 O ATOM 997 CB THR B 3 6.502 -0.452 7.631 1.00 0.33 C ATOM 998 OG1 THR B 3 6.383 -1.153 8.876 1.00 0.95 O ATOM 999 CG2 THR B 3 5.454 0.642 7.555 1.00 0.70 C ATOM 0 H THR B 3 4.940 -2.402 7.675 1.00 0.29 H new ATOM 0 HA THR B 3 6.112 -0.887 5.545 1.00 0.30 H new ATOM 0 HB THR B 3 7.490 0.005 7.568 1.00 0.33 H new ATOM 0 HG1 THR B 3 6.488 -0.522 9.618 1.00 0.95 H new ATOM 0 HG21 THR B 3 5.583 1.328 8.392 1.00 0.70 H new ATOM 0 HG22 THR B 3 5.565 1.188 6.618 1.00 0.70 H new ATOM 0 HG23 THR B 3 4.460 0.197 7.600 1.00 0.70 H new ATOM 1007 N LYS B 4 8.534 -1.566 5.459 1.00 0.28 N ATOM 1008 CA LYS B 4 9.858 -2.112 5.200 1.00 0.30 C ATOM 1009 C LYS B 4 10.879 -0.987 5.208 1.00 0.34 C ATOM 1010 O LYS B 4 10.529 0.177 5.011 1.00 0.37 O ATOM 1011 CB LYS B 4 9.913 -2.816 3.842 1.00 0.30 C ATOM 1012 CG LYS B 4 8.846 -3.875 3.641 1.00 0.34 C ATOM 1013 CD LYS B 4 8.983 -4.547 2.287 1.00 0.40 C ATOM 1014 CE LYS B 4 10.281 -5.334 2.172 1.00 0.54 C ATOM 1015 NZ LYS B 4 10.332 -6.129 0.920 1.00 0.75 N ATOM 0 H LYS B 4 8.350 -0.680 4.987 1.00 0.28 H new ATOM 0 HA LYS B 4 10.082 -2.839 5.981 1.00 0.30 H new ATOM 0 HB2 LYS B 4 9.818 -2.068 3.055 1.00 0.30 H new ATOM 0 HB3 LYS B 4 10.893 -3.279 3.726 1.00 0.30 H new ATOM 0 HG2 LYS B 4 8.921 -4.623 4.430 1.00 0.34 H new ATOM 0 HG3 LYS B 4 7.859 -3.420 3.725 1.00 0.34 H new ATOM 0 HD2 LYS B 4 8.138 -5.216 2.127 1.00 0.40 H new ATOM 0 HD3 LYS B 4 8.945 -3.792 1.502 1.00 0.40 H new ATOM 0 HE2 LYS B 4 11.127 -4.647 2.202 1.00 0.54 H new ATOM 0 HE3 LYS B 4 10.380 -5.999 3.030 1.00 0.54 H new ATOM 0 HZ1 LYS B 4 11.257 -6.598 0.844 1.00 0.75 H new ATOM 0 HZ2 LYS B 4 9.580 -6.847 0.934 1.00 0.75 H new ATOM 0 HZ3 LYS B 4 10.195 -5.500 0.103 1.00 0.75 H new ATOM 1029 N GLN B 5 12.132 -1.336 5.432 1.00 0.46 N ATOM 1030 CA GLN B 5 13.212 -0.371 5.366 1.00 0.52 C ATOM 1031 C GLN B 5 14.349 -0.965 4.548 1.00 0.57 C ATOM 1032 O GLN B 5 15.340 -1.454 5.089 1.00 1.35 O ATOM 1033 CB GLN B 5 13.688 0.013 6.768 1.00 0.73 C ATOM 1034 CG GLN B 5 14.492 1.304 6.792 1.00 1.45 C ATOM 1035 CD GLN B 5 14.917 1.702 8.189 1.00 2.10 C ATOM 1036 OE1 GLN B 5 14.243 1.393 9.173 1.00 2.62 O ATOM 1037 NE2 GLN B 5 16.020 2.422 8.284 1.00 2.88 N ATOM 0 H GLN B 5 12.427 -2.285 5.662 1.00 0.46 H new ATOM 0 HA GLN B 5 12.857 0.541 4.885 1.00 0.52 H new ATOM 0 HB2 GLN B 5 12.823 0.118 7.423 1.00 0.73 H new ATOM 0 HB3 GLN B 5 14.297 -0.795 7.172 1.00 0.73 H new ATOM 0 HG2 GLN B 5 15.377 1.187 6.167 1.00 1.45 H new ATOM 0 HG3 GLN B 5 13.897 2.106 6.355 1.00 1.45 H new ATOM 0 HE21 GLN B 5 16.550 2.657 7.445 1.00 2.88 H new ATOM 0 HE22 GLN B 5 16.342 2.743 9.197 1.00 2.88 H new ATOM 1046 N THR B 6 14.181 -0.939 3.237 1.00 0.67 N ATOM 1047 CA THR B 6 15.121 -1.572 2.330 1.00 0.58 C ATOM 1048 C THR B 6 16.182 -0.583 1.860 1.00 0.67 C ATOM 1049 O THR B 6 16.111 0.610 2.166 1.00 0.88 O ATOM 1050 CB THR B 6 14.380 -2.152 1.108 1.00 0.57 C ATOM 1051 OG1 THR B 6 13.617 -1.126 0.456 1.00 1.03 O ATOM 1052 CG2 THR B 6 13.455 -3.282 1.526 1.00 0.70 C ATOM 0 H THR B 6 13.395 -0.482 2.775 1.00 0.67 H new ATOM 0 HA THR B 6 15.613 -2.379 2.872 1.00 0.58 H new ATOM 0 HB THR B 6 15.125 -2.544 0.416 1.00 0.57 H new ATOM 0 HG1 THR B 6 13.280 -1.463 -0.401 1.00 1.03 H new ATOM 0 HG21 THR B 6 12.943 -3.676 0.648 1.00 0.70 H new ATOM 0 HG22 THR B 6 14.038 -4.076 1.993 1.00 0.70 H new ATOM 0 HG23 THR B 6 12.720 -2.906 2.237 1.00 0.70 H new ATOM 1060 N ALA B 7 17.165 -1.086 1.126 1.00 0.68 N ATOM 1061 CA ALA B 7 18.177 -0.234 0.527 1.00 0.75 C ATOM 1062 C ALA B 7 17.590 0.481 -0.680 1.00 0.70 C ATOM 1063 O ALA B 7 16.937 -0.141 -1.520 1.00 0.67 O ATOM 1064 CB ALA B 7 19.397 -1.053 0.124 1.00 0.90 C ATOM 0 H ALA B 7 17.281 -2.081 0.932 1.00 0.68 H new ATOM 0 HA ALA B 7 18.497 0.508 1.259 1.00 0.75 H new ATOM 0 HB1 ALA B 7 20.144 -0.397 -0.323 1.00 0.90 H new ATOM 0 HB2 ALA B 7 19.819 -1.536 1.006 1.00 0.90 H new ATOM 0 HB3 ALA B 7 19.102 -1.813 -0.600 1.00 0.90 H new ATOM 1070 N ARG B 8 17.815 1.783 -0.756 1.00 0.74 N ATOM 1071 CA ARG B 8 17.270 2.588 -1.839 1.00 0.74 C ATOM 1072 C ARG B 8 17.883 2.175 -3.166 1.00 0.82 C ATOM 1073 O ARG B 8 19.062 1.828 -3.237 1.00 1.15 O ATOM 1074 CB ARG B 8 17.510 4.074 -1.586 1.00 0.81 C ATOM 1075 CG ARG B 8 16.873 4.582 -0.302 1.00 0.86 C ATOM 1076 CD ARG B 8 16.771 6.098 -0.291 1.00 1.10 C ATOM 1077 NE ARG B 8 18.073 6.741 -0.456 1.00 1.72 N ATOM 1078 CZ ARG B 8 18.411 7.480 -1.514 1.00 2.18 C ATOM 1079 NH1 ARG B 8 17.564 7.633 -2.523 1.00 2.19 N ATOM 1080 NH2 ARG B 8 19.609 8.050 -1.574 1.00 3.09 N ATOM 0 H ARG B 8 18.372 2.306 -0.080 1.00 0.74 H new ATOM 0 HA ARG B 8 16.194 2.417 -1.881 1.00 0.74 H new ATOM 0 HB2 ARG B 8 18.583 4.259 -1.547 1.00 0.81 H new ATOM 0 HB3 ARG B 8 17.118 4.646 -2.427 1.00 0.81 H new ATOM 0 HG2 ARG B 8 15.879 4.149 -0.192 1.00 0.86 H new ATOM 0 HG3 ARG B 8 17.462 4.250 0.553 1.00 0.86 H new ATOM 0 HD2 ARG B 8 16.104 6.421 -1.091 1.00 1.10 H new ATOM 0 HD3 ARG B 8 16.324 6.423 0.648 1.00 1.10 H new ATOM 0 HE ARG B 8 18.765 6.617 0.283 1.00 1.72 H new ATOM 0 HH11 ARG B 8 16.648 7.184 -2.493 1.00 2.19 H new ATOM 0 HH12 ARG B 8 17.828 8.199 -3.329 1.00 2.19 H new ATOM 0 HH21 ARG B 8 20.273 7.923 -0.810 1.00 3.09 H new ATOM 0 HH22 ARG B 8 19.865 8.615 -2.384 1.00 3.09 H new ATOM 1094 N LYS B 9 17.088 2.238 -4.218 1.00 0.77 N ATOM 1095 CA LYS B 9 17.505 1.746 -5.520 1.00 0.91 C ATOM 1096 C LYS B 9 17.943 2.900 -6.408 1.00 1.52 C ATOM 1097 O LYS B 9 18.042 2.755 -7.626 1.00 1.96 O ATOM 1098 CB LYS B 9 16.373 0.964 -6.191 1.00 1.00 C ATOM 1099 CG LYS B 9 15.935 -0.267 -5.411 1.00 1.52 C ATOM 1100 CD LYS B 9 17.115 -1.165 -5.069 1.00 2.37 C ATOM 1101 CE LYS B 9 16.665 -2.450 -4.392 1.00 3.15 C ATOM 1102 NZ LYS B 9 15.941 -3.342 -5.332 1.00 3.53 N ATOM 0 H LYS B 9 16.145 2.627 -4.197 1.00 0.77 H new ATOM 0 HA LYS B 9 18.351 1.074 -5.375 1.00 0.91 H new ATOM 0 HB2 LYS B 9 15.516 1.624 -6.323 1.00 1.00 H new ATOM 0 HB3 LYS B 9 16.695 0.657 -7.186 1.00 1.00 H new ATOM 0 HG2 LYS B 9 15.435 0.042 -4.493 1.00 1.52 H new ATOM 0 HG3 LYS B 9 15.207 -0.829 -5.996 1.00 1.52 H new ATOM 0 HD2 LYS B 9 17.665 -1.406 -5.979 1.00 2.37 H new ATOM 0 HD3 LYS B 9 17.802 -0.630 -4.414 1.00 2.37 H new ATOM 0 HE2 LYS B 9 17.533 -2.973 -3.990 1.00 3.15 H new ATOM 0 HE3 LYS B 9 16.019 -2.209 -3.548 1.00 3.15 H new ATOM 0 HZ1 LYS B 9 15.165 -3.818 -4.830 1.00 3.53 H new ATOM 0 HZ2 LYS B 9 15.553 -2.779 -6.116 1.00 3.53 H new ATOM 0 HZ3 LYS B 9 16.598 -4.055 -5.710 1.00 3.53 H new ATOM 1116 N SER B 10 18.186 4.044 -5.790 1.00 2.30 N ATOM 1117 CA SER B 10 18.688 5.200 -6.505 1.00 3.23 C ATOM 1118 C SER B 10 20.197 5.074 -6.693 1.00 3.61 C ATOM 1119 O SER B 10 20.643 4.770 -7.822 1.00 4.10 O ATOM 1120 CB SER B 10 18.354 6.481 -5.740 1.00 4.17 C ATOM 1121 OG SER B 10 16.961 6.582 -5.486 1.00 4.45 O ATOM 1122 OXT SER B 10 20.931 5.235 -5.696 1.00 3.81 O ATOM 0 H SER B 10 18.042 4.195 -4.791 1.00 2.30 H new ATOM 0 HA SER B 10 18.211 5.248 -7.484 1.00 3.23 H new ATOM 0 HB2 SER B 10 18.900 6.496 -4.797 1.00 4.17 H new ATOM 0 HB3 SER B 10 18.685 7.347 -6.314 1.00 4.17 H new ATOM 0 HG SER B 10 16.483 5.908 -6.013 1.00 4.45 H new TER 1128 SER B 10 HETATM 1129 ZN ZN A 355 8.098 5.647 -4.659 1.00 0.18 ZN HETATM 1130 ZN ZN A 356 -3.415 -3.555 -2.276 1.00 0.71 ZN