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= -1.05 K(o=0.65,f=-3) USER MOD Set 1.2: B 4 LYS NZ :NH3+ 178:sc= 1.7 (180deg=1.16) USER MOD Single : A 291 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 293 GLN : amide:sc= -1.65! C(o=-1.7!,f=-6.6!) USER MOD Single : A 294 LYS NZ :NH3+ -161:sc= -0.144 (180deg=-0.616) USER MOD Single : A 310 CYS SG : rot 104:sc= 1.81 USER MOD Single : A 319 HIS : no HD1:sc= -3.04! C(o=-3!,f=-5.7!) USER MOD Single : A 324 SER OG : rot 180:sc= 0 USER MOD Single : A 332 SER OG : rot 180:sc= 0.017 USER MOD Single : A 334 THR OG1 : rot 39:sc= 0.395 USER MOD Single : A 338 SER OG : rot 180:sc= 0.0265 USER MOD Single : A 339 SER OG : rot 180:sc= 0 USER MOD Single : A 342 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : A 344 THR OG1 : rot -78:sc= 1.26 USER MOD Single : A 346 GLN : amide:sc= -0.402 X(o=-0.4,f=-0.69) USER MOD Single : A 349 GLN : amide:sc= -0.658 X(o=-0.66,f=-0.32) USER MOD Single : B 1 ALA N :NH3+ -123:sc= 1.39 (180deg=0.737) USER MOD Single : B 3 THR OG1 : rot 180:sc= 0.0751 USER MOD Single : B 5 GLN : amide:sc= -0.173 K(o=-0.17,f=-0.98) USER MOD Single : B 6 THR OG1 : rot -10:sc= 1.31 USER MOD Single : B 9 LYS NZ :NH3+ 174:sc= 0.934 (180deg=0.766) USER MOD Single : B 10 SER OG : rot 42:sc= 0.316 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 289 -2.277 -18.874 5.758 1.00 7.93 N ATOM 2 CA GLY A 289 -2.149 -19.621 7.030 1.00 7.32 C ATOM 3 C GLY A 289 -0.830 -19.349 7.721 1.00 6.42 C ATOM 4 O GLY A 289 -0.770 -18.551 8.657 1.00 6.32 O ATOM 0 HA2 GLY A 289 -2.969 -19.348 7.694 1.00 7.32 H new ATOM 0 HA3 GLY A 289 -2.241 -20.689 6.833 1.00 7.32 H new ATOM 10 N ALA A 290 0.232 -19.994 7.257 1.00 6.11 N ATOM 11 CA ALA A 290 1.541 -19.842 7.876 1.00 5.56 C ATOM 12 C ALA A 290 2.495 -19.042 6.994 1.00 4.65 C ATOM 13 O ALA A 290 3.233 -19.615 6.195 1.00 4.88 O ATOM 14 CB ALA A 290 2.134 -21.205 8.192 1.00 6.29 C ATOM 0 H ALA A 290 0.213 -20.626 6.456 1.00 6.11 H new ATOM 0 HA ALA A 290 1.405 -19.286 8.803 1.00 5.56 H new ATOM 0 HB1 ALA A 290 3.113 -21.078 8.654 1.00 6.29 H new ATOM 0 HB2 ALA A 290 1.475 -21.738 8.878 1.00 6.29 H new ATOM 0 HB3 ALA A 290 2.240 -21.778 7.271 1.00 6.29 H new ATOM 20 N MET A 291 2.456 -17.717 7.145 1.00 4.01 N ATOM 21 CA MET A 291 3.393 -16.810 6.477 1.00 3.50 C ATOM 22 C MET A 291 3.465 -17.065 4.970 1.00 2.71 C ATOM 23 O MET A 291 4.444 -17.613 4.462 1.00 3.00 O ATOM 24 CB MET A 291 4.786 -16.929 7.105 1.00 4.13 C ATOM 25 CG MET A 291 5.775 -15.886 6.606 1.00 4.78 C ATOM 26 SD MET A 291 5.217 -14.198 6.911 1.00 5.58 S ATOM 27 CE MET A 291 6.585 -13.265 6.228 1.00 6.45 C ATOM 0 H MET A 291 1.773 -17.241 7.735 1.00 4.01 H new ATOM 0 HA MET A 291 3.021 -15.795 6.617 1.00 3.50 H new ATOM 0 HB2 MET A 291 4.695 -16.841 8.188 1.00 4.13 H new ATOM 0 HB3 MET A 291 5.184 -17.922 6.898 1.00 4.13 H new ATOM 0 HG2 MET A 291 6.737 -16.040 7.094 1.00 4.78 H new ATOM 0 HG3 MET A 291 5.934 -16.024 5.537 1.00 4.78 H new ATOM 0 HE1 MET A 291 6.390 -12.198 6.341 1.00 6.45 H new ATOM 0 HE2 MET A 291 7.502 -13.524 6.757 1.00 6.45 H new ATOM 0 HE3 MET A 291 6.696 -13.504 5.170 1.00 6.45 H new ATOM 37 N ALA A 292 2.421 -16.675 4.260 1.00 2.40 N ATOM 38 CA ALA A 292 2.391 -16.833 2.814 1.00 2.26 C ATOM 39 C ALA A 292 2.295 -15.479 2.121 1.00 1.90 C ATOM 40 O ALA A 292 2.036 -15.406 0.920 1.00 2.49 O ATOM 41 CB ALA A 292 1.230 -17.723 2.404 1.00 3.16 C ATOM 0 H ALA A 292 1.585 -16.248 4.658 1.00 2.40 H new ATOM 0 HA ALA A 292 3.322 -17.308 2.503 1.00 2.26 H new ATOM 0 HB1 ALA A 292 1.220 -17.832 1.320 1.00 3.16 H new ATOM 0 HB2 ALA A 292 1.342 -18.704 2.866 1.00 3.16 H new ATOM 0 HB3 ALA A 292 0.293 -17.273 2.732 1.00 3.16 H new ATOM 47 N GLN A 293 2.509 -14.411 2.882 1.00 1.56 N ATOM 48 CA GLN A 293 2.441 -13.062 2.339 1.00 1.58 C ATOM 49 C GLN A 293 3.837 -12.533 2.047 1.00 1.07 C ATOM 50 O GLN A 293 4.822 -12.991 2.629 1.00 1.32 O ATOM 51 CB GLN A 293 1.712 -12.120 3.303 1.00 2.27 C ATOM 52 CG GLN A 293 0.221 -12.398 3.437 1.00 3.06 C ATOM 53 CD GLN A 293 -0.559 -12.128 2.161 1.00 4.01 C ATOM 54 OE1 GLN A 293 -0.043 -12.269 1.053 1.00 4.60 O ATOM 55 NE2 GLN A 293 -1.810 -11.722 2.309 1.00 4.62 N ATOM 0 H GLN A 293 2.731 -14.455 3.877 1.00 1.56 H new ATOM 0 HA GLN A 293 1.878 -13.103 1.406 1.00 1.58 H new ATOM 0 HB2 GLN A 293 2.174 -12.196 4.287 1.00 2.27 H new ATOM 0 HB3 GLN A 293 1.850 -11.093 2.964 1.00 2.27 H new ATOM 0 HG2 GLN A 293 0.077 -13.438 3.729 1.00 3.06 H new ATOM 0 HG3 GLN A 293 -0.185 -11.783 4.240 1.00 3.06 H new ATOM 0 HE21 GLN A 293 -2.205 -11.616 3.244 1.00 4.62 H new ATOM 0 HE22 GLN A 293 -2.379 -11.515 1.488 1.00 4.62 H new ATOM 64 N LYS A 294 3.913 -11.559 1.158 1.00 0.91 N ATOM 65 CA LYS A 294 5.182 -11.006 0.726 1.00 0.64 C ATOM 66 C LYS A 294 5.039 -9.507 0.508 1.00 0.53 C ATOM 67 O LYS A 294 3.945 -9.017 0.229 1.00 0.75 O ATOM 68 CB LYS A 294 5.627 -11.697 -0.568 1.00 1.16 C ATOM 69 CG LYS A 294 6.861 -11.095 -1.212 1.00 1.84 C ATOM 70 CD LYS A 294 8.118 -11.367 -0.402 1.00 1.95 C ATOM 71 CE LYS A 294 9.362 -10.872 -1.124 1.00 2.86 C ATOM 72 NZ LYS A 294 9.459 -11.429 -2.500 1.00 3.40 N ATOM 0 H LYS A 294 3.099 -11.131 0.717 1.00 0.91 H new ATOM 0 HA LYS A 294 5.937 -11.176 1.493 1.00 0.64 H new ATOM 0 HB2 LYS A 294 5.820 -12.748 -0.355 1.00 1.16 H new ATOM 0 HB3 LYS A 294 4.806 -11.662 -1.284 1.00 1.16 H new ATOM 0 HG2 LYS A 294 6.981 -11.503 -2.216 1.00 1.84 H new ATOM 0 HG3 LYS A 294 6.725 -10.019 -1.320 1.00 1.84 H new ATOM 0 HD2 LYS A 294 8.040 -10.877 0.569 1.00 1.95 H new ATOM 0 HD3 LYS A 294 8.207 -12.437 -0.213 1.00 1.95 H new ATOM 0 HE2 LYS A 294 9.345 -9.783 -1.173 1.00 2.86 H new ATOM 0 HE3 LYS A 294 10.248 -11.152 -0.555 1.00 2.86 H new ATOM 0 HZ1 LYS A 294 10.438 -11.345 -2.840 1.00 3.40 H new ATOM 0 HZ2 LYS A 294 9.181 -12.431 -2.489 1.00 3.40 H new ATOM 0 HZ3 LYS A 294 8.826 -10.901 -3.134 1.00 3.40 H new ATOM 86 N ASN A 295 6.132 -8.782 0.665 1.00 0.40 N ATOM 87 CA ASN A 295 6.150 -7.357 0.412 1.00 0.28 C ATOM 88 C ASN A 295 7.202 -7.017 -0.636 1.00 0.27 C ATOM 89 O ASN A 295 8.309 -7.555 -0.611 1.00 0.33 O ATOM 90 CB ASN A 295 6.433 -6.578 1.700 1.00 0.26 C ATOM 91 CG ASN A 295 7.464 -7.242 2.607 1.00 0.37 C ATOM 92 OD1 ASN A 295 8.354 -7.952 2.146 1.00 1.07 O ATOM 93 ND2 ASN A 295 7.367 -6.995 3.906 1.00 1.25 N ATOM 0 H ASN A 295 7.027 -9.164 0.970 1.00 0.40 H new ATOM 0 HA ASN A 295 5.167 -7.069 0.039 1.00 0.28 H new ATOM 0 HB2 ASN A 295 6.782 -5.579 1.440 1.00 0.26 H new ATOM 0 HB3 ASN A 295 5.501 -6.457 2.252 1.00 0.26 H new ATOM 0 HD21 ASN A 295 8.043 -7.399 4.554 1.00 1.25 H new ATOM 0 HD22 ASN A 295 6.616 -6.401 4.257 1.00 1.25 H new ATOM 100 N GLU A 296 6.847 -6.137 -1.560 1.00 0.26 N ATOM 101 CA GLU A 296 7.788 -5.679 -2.573 1.00 0.31 C ATOM 102 C GLU A 296 8.840 -4.795 -1.935 1.00 0.23 C ATOM 103 O GLU A 296 8.517 -3.914 -1.139 1.00 0.31 O ATOM 104 CB GLU A 296 7.092 -4.884 -3.685 1.00 0.47 C ATOM 105 CG GLU A 296 6.153 -5.692 -4.561 1.00 0.63 C ATOM 106 CD GLU A 296 5.894 -5.002 -5.886 1.00 0.83 C ATOM 107 OE1 GLU A 296 5.256 -3.928 -5.885 1.00 1.11 O ATOM 108 OE2 GLU A 296 6.305 -5.535 -6.938 1.00 0.98 O ATOM 0 H GLU A 296 5.916 -5.726 -1.630 1.00 0.26 H new ATOM 0 HA GLU A 296 8.244 -6.565 -3.014 1.00 0.31 H new ATOM 0 HB2 GLU A 296 6.529 -4.069 -3.230 1.00 0.47 H new ATOM 0 HB3 GLU A 296 7.855 -4.430 -4.318 1.00 0.47 H new ATOM 0 HG2 GLU A 296 6.581 -6.678 -4.741 1.00 0.63 H new ATOM 0 HG3 GLU A 296 5.208 -5.845 -4.039 1.00 0.63 H new ATOM 115 N ASP A 297 10.094 -5.028 -2.276 1.00 0.22 N ATOM 116 CA ASP A 297 11.173 -4.176 -1.795 1.00 0.20 C ATOM 117 C ASP A 297 11.341 -2.993 -2.734 1.00 0.19 C ATOM 118 O ASP A 297 12.302 -2.233 -2.627 1.00 0.30 O ATOM 119 CB ASP A 297 12.496 -4.935 -1.692 1.00 0.28 C ATOM 120 CG ASP A 297 12.369 -6.253 -0.956 1.00 0.37 C ATOM 121 OD1 ASP A 297 12.511 -6.266 0.285 1.00 0.45 O ATOM 122 OD2 ASP A 297 12.129 -7.283 -1.620 1.00 0.49 O ATOM 0 H ASP A 297 10.392 -5.794 -2.880 1.00 0.22 H new ATOM 0 HA ASP A 297 10.906 -3.832 -0.796 1.00 0.20 H new ATOM 0 HB2 ASP A 297 12.880 -5.121 -2.695 1.00 0.28 H new ATOM 0 HB3 ASP A 297 13.228 -4.309 -1.181 1.00 0.28 H new ATOM 127 N GLU A 298 10.391 -2.844 -3.647 1.00 0.21 N ATOM 128 CA GLU A 298 10.401 -1.753 -4.597 1.00 0.25 C ATOM 129 C GLU A 298 9.052 -1.050 -4.536 1.00 0.25 C ATOM 130 O GLU A 298 8.008 -1.701 -4.499 1.00 0.40 O ATOM 131 CB GLU A 298 10.618 -2.248 -6.023 1.00 0.42 C ATOM 132 CG GLU A 298 11.504 -3.480 -6.159 1.00 0.89 C ATOM 133 CD GLU A 298 12.966 -3.209 -5.870 1.00 1.81 C ATOM 134 OE1 GLU A 298 13.567 -2.361 -6.559 1.00 2.25 O ATOM 135 OE2 GLU A 298 13.520 -3.826 -4.936 1.00 2.53 O ATOM 0 H GLU A 298 9.597 -3.476 -3.746 1.00 0.21 H new ATOM 0 HA GLU A 298 11.219 -1.081 -4.337 1.00 0.25 H new ATOM 0 HB2 GLU A 298 9.646 -2.470 -6.465 1.00 0.42 H new ATOM 0 HB3 GLU A 298 11.057 -1.439 -6.607 1.00 0.42 H new ATOM 0 HG2 GLU A 298 11.145 -4.253 -5.479 1.00 0.89 H new ATOM 0 HG3 GLU A 298 11.409 -3.876 -7.170 1.00 0.89 H new ATOM 142 N CYS A 299 9.077 0.265 -4.516 1.00 0.18 N ATOM 143 CA CYS A 299 7.855 1.056 -4.487 1.00 0.17 C ATOM 144 C CYS A 299 7.078 0.903 -5.792 1.00 0.18 C ATOM 145 O CYS A 299 7.654 0.908 -6.869 1.00 0.21 O ATOM 146 CB CYS A 299 8.203 2.523 -4.255 1.00 0.17 C ATOM 147 SG CYS A 299 6.776 3.653 -4.281 1.00 0.17 S ATOM 0 H CYS A 299 9.935 0.817 -4.519 1.00 0.18 H new ATOM 0 HA CYS A 299 7.226 0.697 -3.672 1.00 0.17 H new ATOM 0 HB2 CYS A 299 8.706 2.616 -3.292 1.00 0.17 H new ATOM 0 HB3 CYS A 299 8.914 2.839 -5.018 1.00 0.17 H new ATOM 152 N ALA A 300 5.764 0.774 -5.694 1.00 0.21 N ATOM 153 CA ALA A 300 4.912 0.647 -6.873 1.00 0.26 C ATOM 154 C ALA A 300 4.870 1.950 -7.674 1.00 0.26 C ATOM 155 O ALA A 300 4.452 1.965 -8.829 1.00 0.31 O ATOM 156 CB ALA A 300 3.513 0.228 -6.466 1.00 0.31 C ATOM 0 H ALA A 300 5.260 0.754 -4.808 1.00 0.21 H new ATOM 0 HA ALA A 300 5.339 -0.123 -7.516 1.00 0.26 H new ATOM 0 HB1 ALA A 300 2.888 0.137 -7.354 1.00 0.31 H new ATOM 0 HB2 ALA A 300 3.556 -0.732 -5.952 1.00 0.31 H new ATOM 0 HB3 ALA A 300 3.088 0.978 -5.799 1.00 0.31 H new ATOM 162 N VAL A 301 5.304 3.035 -7.048 1.00 0.22 N ATOM 163 CA VAL A 301 5.330 4.340 -7.699 1.00 0.23 C ATOM 164 C VAL A 301 6.537 4.475 -8.634 1.00 0.25 C ATOM 165 O VAL A 301 6.379 4.615 -9.843 1.00 0.31 O ATOM 166 CB VAL A 301 5.343 5.486 -6.657 1.00 0.20 C ATOM 167 CG1 VAL A 301 5.519 6.842 -7.326 1.00 0.22 C ATOM 168 CG2 VAL A 301 4.067 5.471 -5.829 1.00 0.22 C ATOM 0 H VAL A 301 5.644 3.038 -6.086 1.00 0.22 H new ATOM 0 HA VAL A 301 4.420 4.418 -8.294 1.00 0.23 H new ATOM 0 HB VAL A 301 6.194 5.322 -5.996 1.00 0.20 H new ATOM 0 HG11 VAL A 301 5.524 7.624 -6.567 1.00 0.22 H new ATOM 0 HG12 VAL A 301 6.463 6.859 -7.871 1.00 0.22 H new ATOM 0 HG13 VAL A 301 4.696 7.015 -8.020 1.00 0.22 H new ATOM 0 HG21 VAL A 301 4.095 6.283 -5.103 1.00 0.22 H new ATOM 0 HG22 VAL A 301 3.206 5.600 -6.485 1.00 0.22 H new ATOM 0 HG23 VAL A 301 3.984 4.519 -5.305 1.00 0.22 H new ATOM 178 N CYS A 302 7.741 4.411 -8.076 1.00 0.25 N ATOM 179 CA CYS A 302 8.953 4.662 -8.858 1.00 0.31 C ATOM 180 C CYS A 302 9.879 3.445 -8.887 1.00 0.29 C ATOM 181 O CYS A 302 10.982 3.501 -9.430 1.00 0.33 O ATOM 182 CB CYS A 302 9.694 5.870 -8.282 1.00 0.34 C ATOM 183 SG CYS A 302 9.943 5.780 -6.478 1.00 0.29 S ATOM 0 H CYS A 302 7.907 4.190 -7.094 1.00 0.25 H new ATOM 0 HA CYS A 302 8.651 4.866 -9.885 1.00 0.31 H new ATOM 0 HB2 CYS A 302 10.664 5.957 -8.771 1.00 0.34 H new ATOM 0 HB3 CYS A 302 9.135 6.775 -8.519 1.00 0.34 H new ATOM 188 N ARG A 303 9.401 2.346 -8.307 1.00 0.27 N ATOM 189 CA ARG A 303 10.168 1.101 -8.185 1.00 0.30 C ATOM 190 C ARG A 303 11.510 1.339 -7.495 1.00 0.26 C ATOM 191 O ARG A 303 12.514 0.718 -7.828 1.00 0.29 O ATOM 192 CB ARG A 303 10.369 0.433 -9.552 1.00 0.41 C ATOM 193 CG ARG A 303 9.069 0.196 -10.309 1.00 0.54 C ATOM 194 CD ARG A 303 8.048 -0.583 -9.491 1.00 0.66 C ATOM 195 NE ARG A 303 8.426 -1.982 -9.274 1.00 1.24 N ATOM 196 CZ ARG A 303 7.743 -2.823 -8.486 1.00 1.48 C ATOM 197 NH1 ARG A 303 6.709 -2.385 -7.775 1.00 1.13 N ATOM 198 NH2 ARG A 303 8.093 -4.099 -8.406 1.00 2.38 N ATOM 0 H ARG A 303 8.465 2.291 -7.905 1.00 0.27 H new ATOM 0 HA ARG A 303 9.587 0.422 -7.561 1.00 0.30 H new ATOM 0 HB2 ARG A 303 11.025 1.056 -10.159 1.00 0.41 H new ATOM 0 HB3 ARG A 303 10.877 -0.521 -9.410 1.00 0.41 H new ATOM 0 HG2 ARG A 303 8.641 1.156 -10.598 1.00 0.54 H new ATOM 0 HG3 ARG A 303 9.283 -0.348 -11.229 1.00 0.54 H new ATOM 0 HD2 ARG A 303 7.918 -0.095 -8.525 1.00 0.66 H new ATOM 0 HD3 ARG A 303 7.084 -0.549 -9.998 1.00 0.66 H new ATOM 0 HE ARG A 303 9.256 -2.335 -9.750 1.00 1.24 H new ATOM 0 HH11 ARG A 303 6.432 -1.405 -7.828 1.00 1.13 H new ATOM 0 HH12 ARG A 303 6.192 -3.029 -7.176 1.00 1.13 H new ATOM 0 HH21 ARG A 303 8.886 -4.445 -8.946 1.00 2.38 H new ATOM 0 HH22 ARG A 303 7.569 -4.735 -7.804 1.00 2.38 H new ATOM 212 N ASP A 304 11.511 2.245 -6.528 1.00 0.24 N ATOM 213 CA ASP A 304 12.699 2.524 -5.728 1.00 0.27 C ATOM 214 C ASP A 304 12.545 1.842 -4.373 1.00 0.24 C ATOM 215 O ASP A 304 11.491 1.283 -4.080 1.00 0.31 O ATOM 216 CB ASP A 304 12.864 4.032 -5.544 1.00 0.34 C ATOM 217 CG ASP A 304 14.295 4.448 -5.257 1.00 0.77 C ATOM 218 OD1 ASP A 304 14.780 4.171 -4.142 1.00 1.21 O ATOM 219 OD2 ASP A 304 14.947 5.041 -6.145 1.00 1.54 O ATOM 0 H ASP A 304 10.696 2.804 -6.276 1.00 0.24 H new ATOM 0 HA ASP A 304 13.585 2.141 -6.234 1.00 0.27 H new ATOM 0 HB2 ASP A 304 12.518 4.541 -6.444 1.00 0.34 H new ATOM 0 HB3 ASP A 304 12.225 4.363 -4.725 1.00 0.34 H new ATOM 224 N GLY A 305 13.570 1.911 -3.542 1.00 0.27 N ATOM 225 CA GLY A 305 13.526 1.237 -2.262 1.00 0.31 C ATOM 226 C GLY A 305 13.713 2.203 -1.108 1.00 0.35 C ATOM 227 O GLY A 305 13.807 3.414 -1.317 1.00 0.70 O ATOM 0 H GLY A 305 14.433 2.422 -3.730 1.00 0.27 H new ATOM 0 HA2 GLY A 305 12.570 0.724 -2.155 1.00 0.31 H new ATOM 0 HA3 GLY A 305 14.304 0.474 -2.226 1.00 0.31 H new ATOM 231 N GLY A 306 13.773 1.679 0.105 1.00 0.33 N ATOM 232 CA GLY A 306 13.975 2.522 1.267 1.00 0.35 C ATOM 233 C GLY A 306 12.855 2.385 2.274 1.00 0.34 C ATOM 234 O GLY A 306 12.510 1.270 2.681 1.00 0.40 O ATOM 0 H GLY A 306 13.685 0.683 0.308 1.00 0.33 H new ATOM 0 HA2 GLY A 306 14.922 2.263 1.741 1.00 0.35 H new ATOM 0 HA3 GLY A 306 14.051 3.562 0.950 1.00 0.35 H new ATOM 238 N GLU A 307 12.300 3.517 2.681 1.00 0.37 N ATOM 239 CA GLU A 307 11.190 3.544 3.619 1.00 0.42 C ATOM 240 C GLU A 307 9.895 3.146 2.917 1.00 0.33 C ATOM 241 O GLU A 307 9.192 3.986 2.356 1.00 0.39 O ATOM 242 CB GLU A 307 11.051 4.940 4.237 1.00 0.59 C ATOM 243 CG GLU A 307 12.365 5.514 4.747 1.00 0.74 C ATOM 244 CD GLU A 307 13.061 6.398 3.730 1.00 1.17 C ATOM 245 OE1 GLU A 307 13.519 5.888 2.681 1.00 1.91 O ATOM 246 OE2 GLU A 307 13.141 7.620 3.967 1.00 1.51 O ATOM 0 H GLU A 307 12.606 4.439 2.371 1.00 0.37 H new ATOM 0 HA GLU A 307 11.389 2.828 4.416 1.00 0.42 H new ATOM 0 HB2 GLU A 307 10.633 5.618 3.493 1.00 0.59 H new ATOM 0 HB3 GLU A 307 10.340 4.894 5.062 1.00 0.59 H new ATOM 0 HG2 GLU A 307 12.176 6.091 5.652 1.00 0.74 H new ATOM 0 HG3 GLU A 307 13.029 4.695 5.024 1.00 0.74 H new ATOM 253 N LEU A 308 9.587 1.861 2.962 1.00 0.24 N ATOM 254 CA LEU A 308 8.455 1.321 2.228 1.00 0.16 C ATOM 255 C LEU A 308 7.273 1.031 3.144 1.00 0.15 C ATOM 256 O LEU A 308 7.441 0.668 4.309 1.00 0.21 O ATOM 257 CB LEU A 308 8.872 0.041 1.504 1.00 0.16 C ATOM 258 CG LEU A 308 9.844 0.232 0.339 1.00 0.15 C ATOM 259 CD1 LEU A 308 10.404 -1.106 -0.101 1.00 0.18 C ATOM 260 CD2 LEU A 308 9.160 0.923 -0.832 1.00 0.14 C ATOM 0 H LEU A 308 10.108 1.169 3.502 1.00 0.24 H new ATOM 0 HA LEU A 308 8.139 2.072 1.504 1.00 0.16 H new ATOM 0 HB2 LEU A 308 9.328 -0.634 2.228 1.00 0.16 H new ATOM 0 HB3 LEU A 308 7.975 -0.453 1.129 1.00 0.16 H new ATOM 0 HG LEU A 308 10.663 0.866 0.680 1.00 0.15 H new ATOM 0 HD11 LEU A 308 11.095 -0.956 -0.931 1.00 0.18 H new ATOM 0 HD12 LEU A 308 10.932 -1.571 0.731 1.00 0.18 H new ATOM 0 HD13 LEU A 308 9.588 -1.755 -0.420 1.00 0.18 H new ATOM 0 HD21 LEU A 308 9.872 1.047 -1.648 1.00 0.14 H new ATOM 0 HD22 LEU A 308 8.321 0.317 -1.172 1.00 0.14 H new ATOM 0 HD23 LEU A 308 8.797 1.901 -0.516 1.00 0.14 H new ATOM 272 N ILE A 309 6.080 1.208 2.600 1.00 0.12 N ATOM 273 CA ILE A 309 4.850 0.807 3.262 1.00 0.12 C ATOM 274 C ILE A 309 4.051 -0.104 2.329 1.00 0.11 C ATOM 275 O ILE A 309 3.617 0.309 1.256 1.00 0.15 O ATOM 276 CB ILE A 309 3.999 2.027 3.700 1.00 0.13 C ATOM 277 CG1 ILE A 309 2.647 1.571 4.261 1.00 0.15 C ATOM 278 CG2 ILE A 309 3.807 3.010 2.551 1.00 0.14 C ATOM 279 CD1 ILE A 309 1.723 2.715 4.620 1.00 0.21 C ATOM 0 H ILE A 309 5.937 1.635 1.685 1.00 0.12 H new ATOM 0 HA ILE A 309 5.111 0.265 4.171 1.00 0.12 H new ATOM 0 HB ILE A 309 4.541 2.545 4.491 1.00 0.13 H new ATOM 0 HG12 ILE A 309 2.154 0.934 3.526 1.00 0.15 H new ATOM 0 HG13 ILE A 309 2.818 0.961 5.148 1.00 0.15 H new ATOM 0 HG21 ILE A 309 3.206 3.854 2.891 1.00 0.14 H new ATOM 0 HG22 ILE A 309 4.779 3.369 2.213 1.00 0.14 H new ATOM 0 HG23 ILE A 309 3.298 2.511 1.726 1.00 0.14 H new ATOM 0 HD11 ILE A 309 0.786 2.317 5.010 1.00 0.21 H new ATOM 0 HD12 ILE A 309 2.195 3.340 5.378 1.00 0.21 H new ATOM 0 HD13 ILE A 309 1.521 3.312 3.731 1.00 0.21 H new ATOM 291 N CYS A 310 3.895 -1.354 2.728 1.00 0.12 N ATOM 292 CA CYS A 310 3.291 -2.359 1.871 1.00 0.12 C ATOM 293 C CYS A 310 1.831 -2.605 2.234 1.00 0.11 C ATOM 294 O CYS A 310 1.449 -2.599 3.413 1.00 0.12 O ATOM 295 CB CYS A 310 4.089 -3.660 1.965 1.00 0.14 C ATOM 296 SG CYS A 310 3.386 -5.046 1.046 1.00 1.36 S ATOM 0 H CYS A 310 4.180 -1.699 3.645 1.00 0.12 H new ATOM 0 HA CYS A 310 3.314 -1.990 0.846 1.00 0.12 H new ATOM 0 HB2 CYS A 310 5.100 -3.477 1.602 1.00 0.14 H new ATOM 0 HB3 CYS A 310 4.174 -3.943 3.014 1.00 0.14 H new ATOM 0 HG CYS A 310 4.067 -5.233 -0.045 1.00 1.36 H new ATOM 302 N CYS A 311 1.026 -2.823 1.200 1.00 0.11 N ATOM 303 CA CYS A 311 -0.390 -3.113 1.350 1.00 0.12 C ATOM 304 C CYS A 311 -0.581 -4.533 1.847 1.00 0.14 C ATOM 305 O CYS A 311 0.158 -5.429 1.459 1.00 0.17 O ATOM 306 CB CYS A 311 -1.103 -2.932 0.008 1.00 0.16 C ATOM 307 SG CYS A 311 -2.865 -3.398 0.022 1.00 0.20 S ATOM 0 H CYS A 311 1.342 -2.803 0.230 1.00 0.11 H new ATOM 0 HA CYS A 311 -0.817 -2.423 2.078 1.00 0.12 H new ATOM 0 HB2 CYS A 311 -1.018 -1.889 -0.297 1.00 0.16 H new ATOM 0 HB3 CYS A 311 -0.588 -3.527 -0.746 1.00 0.16 H new ATOM 312 N ASP A 312 -1.544 -4.727 2.729 1.00 0.19 N ATOM 313 CA ASP A 312 -1.864 -6.060 3.223 1.00 0.26 C ATOM 314 C ASP A 312 -2.310 -6.975 2.078 1.00 0.27 C ATOM 315 O ASP A 312 -1.662 -7.978 1.779 1.00 0.31 O ATOM 316 CB ASP A 312 -2.920 -6.025 4.324 1.00 0.35 C ATOM 317 CG ASP A 312 -3.111 -7.393 4.957 1.00 0.53 C ATOM 318 OD1 ASP A 312 -2.096 -8.084 5.213 1.00 0.66 O ATOM 319 OD2 ASP A 312 -4.271 -7.781 5.209 1.00 0.64 O ATOM 0 H ASP A 312 -2.120 -3.981 3.120 1.00 0.19 H new ATOM 0 HA ASP A 312 -0.952 -6.467 3.659 1.00 0.26 H new ATOM 0 HB2 ASP A 312 -2.625 -5.307 5.089 1.00 0.35 H new ATOM 0 HB3 ASP A 312 -3.867 -5.679 3.910 1.00 0.35 H new ATOM 324 N GLY A 313 -3.438 -6.634 1.467 1.00 0.29 N ATOM 325 CA GLY A 313 -4.009 -7.460 0.414 1.00 0.37 C ATOM 326 C GLY A 313 -3.134 -7.587 -0.828 1.00 0.28 C ATOM 327 O GLY A 313 -3.289 -8.534 -1.600 1.00 0.31 O ATOM 0 H GLY A 313 -3.973 -5.793 1.683 1.00 0.29 H new ATOM 0 HA2 GLY A 313 -4.200 -8.456 0.813 1.00 0.37 H new ATOM 0 HA3 GLY A 313 -4.973 -7.043 0.124 1.00 0.37 H new ATOM 331 N CYS A 314 -2.212 -6.651 -1.031 1.00 0.25 N ATOM 332 CA CYS A 314 -1.359 -6.673 -2.215 1.00 0.24 C ATOM 333 C CYS A 314 0.092 -6.379 -1.846 1.00 0.18 C ATOM 334 O CYS A 314 0.374 -5.408 -1.153 1.00 0.17 O ATOM 335 CB CYS A 314 -1.839 -5.667 -3.261 1.00 0.35 C ATOM 336 SG CYS A 314 -3.534 -5.960 -3.863 1.00 1.34 S ATOM 0 H CYS A 314 -2.037 -5.872 -0.396 1.00 0.25 H new ATOM 0 HA CYS A 314 -1.420 -7.674 -2.641 1.00 0.24 H new ATOM 0 HB2 CYS A 314 -1.786 -4.665 -2.835 1.00 0.35 H new ATOM 0 HB3 CYS A 314 -1.156 -5.690 -4.110 1.00 0.35 H new ATOM 341 N PRO A 315 1.026 -7.203 -2.347 1.00 0.22 N ATOM 342 CA PRO A 315 2.448 -7.156 -1.961 1.00 0.23 C ATOM 343 C PRO A 315 3.138 -5.822 -2.266 1.00 0.19 C ATOM 344 O PRO A 315 4.226 -5.559 -1.753 1.00 0.22 O ATOM 345 CB PRO A 315 3.092 -8.270 -2.795 1.00 0.33 C ATOM 346 CG PRO A 315 1.964 -9.143 -3.232 1.00 0.52 C ATOM 347 CD PRO A 315 0.764 -8.250 -3.344 1.00 0.31 C ATOM 0 HA PRO A 315 2.549 -7.276 -0.882 1.00 0.23 H new ATOM 0 HB2 PRO A 315 3.626 -7.860 -3.652 1.00 0.33 H new ATOM 0 HB3 PRO A 315 3.818 -8.831 -2.206 1.00 0.33 H new ATOM 0 HG2 PRO A 315 2.187 -9.618 -4.188 1.00 0.52 H new ATOM 0 HG3 PRO A 315 1.789 -9.942 -2.512 1.00 0.52 H new ATOM 0 HD2 PRO A 315 0.664 -7.834 -4.347 1.00 0.31 H new ATOM 0 HD3 PRO A 315 -0.159 -8.788 -3.129 1.00 0.31 H new ATOM 355 N ARG A 316 2.508 -4.990 -3.089 1.00 0.18 N ATOM 356 CA ARG A 316 3.093 -3.712 -3.486 1.00 0.18 C ATOM 357 C ARG A 316 3.392 -2.838 -2.277 1.00 0.14 C ATOM 358 O ARG A 316 2.553 -2.680 -1.382 1.00 0.17 O ATOM 359 CB ARG A 316 2.169 -2.946 -4.433 1.00 0.22 C ATOM 360 CG ARG A 316 1.958 -3.625 -5.770 1.00 0.32 C ATOM 361 CD ARG A 316 1.144 -2.751 -6.709 1.00 0.39 C ATOM 362 NE ARG A 316 0.802 -3.461 -7.938 1.00 0.67 N ATOM 363 CZ ARG A 316 0.456 -2.873 -9.082 1.00 0.87 C ATOM 364 NH1 ARG A 316 0.437 -1.550 -9.176 1.00 1.30 N ATOM 365 NH2 ARG A 316 0.130 -3.616 -10.131 1.00 1.11 N ATOM 0 H ARG A 316 1.591 -5.177 -3.495 1.00 0.18 H new ATOM 0 HA ARG A 316 4.025 -3.943 -4.001 1.00 0.18 H new ATOM 0 HB2 ARG A 316 1.202 -2.810 -3.949 1.00 0.22 H new ATOM 0 HB3 ARG A 316 2.583 -1.952 -4.603 1.00 0.22 H new ATOM 0 HG2 ARG A 316 2.924 -3.849 -6.223 1.00 0.32 H new ATOM 0 HG3 ARG A 316 1.448 -4.576 -5.621 1.00 0.32 H new ATOM 0 HD2 ARG A 316 0.231 -2.428 -6.208 1.00 0.39 H new ATOM 0 HD3 ARG A 316 1.709 -1.851 -6.952 1.00 0.39 H new ATOM 0 HE ARG A 316 0.830 -4.480 -7.919 1.00 0.67 H new ATOM 0 HH11 ARG A 316 0.688 -0.978 -8.370 1.00 1.30 H new ATOM 0 HH12 ARG A 316 0.171 -1.105 -10.054 1.00 1.30 H new ATOM 0 HH21 ARG A 316 0.145 -4.633 -10.060 1.00 1.11 H new ATOM 0 HH22 ARG A 316 -0.136 -3.170 -11.009 1.00 1.11 H new ATOM 379 N ALA A 317 4.588 -2.279 -2.260 1.00 0.12 N ATOM 380 CA ALA A 317 4.980 -1.335 -1.232 1.00 0.11 C ATOM 381 C ALA A 317 5.166 0.038 -1.860 1.00 0.10 C ATOM 382 O ALA A 317 5.455 0.144 -3.050 1.00 0.14 O ATOM 383 CB ALA A 317 6.247 -1.798 -0.533 1.00 0.14 C ATOM 0 H ALA A 317 5.311 -2.466 -2.955 1.00 0.12 H new ATOM 0 HA ALA A 317 4.197 -1.274 -0.476 1.00 0.11 H new ATOM 0 HB1 ALA A 317 6.524 -1.075 0.235 1.00 0.14 H new ATOM 0 HB2 ALA A 317 6.073 -2.770 -0.071 1.00 0.14 H new ATOM 0 HB3 ALA A 317 7.054 -1.881 -1.261 1.00 0.14 H new ATOM 389 N PHE A 318 4.968 1.082 -1.082 1.00 0.11 N ATOM 390 CA PHE A 318 5.026 2.440 -1.600 1.00 0.10 C ATOM 391 C PHE A 318 5.879 3.322 -0.704 1.00 0.11 C ATOM 392 O PHE A 318 6.150 2.973 0.443 1.00 0.14 O ATOM 393 CB PHE A 318 3.616 3.035 -1.690 1.00 0.12 C ATOM 394 CG PHE A 318 2.667 2.280 -2.586 1.00 0.13 C ATOM 395 CD1 PHE A 318 2.114 1.078 -2.177 1.00 0.15 C ATOM 396 CD2 PHE A 318 2.313 2.785 -3.826 1.00 0.18 C ATOM 397 CE1 PHE A 318 1.232 0.392 -2.986 1.00 0.19 C ATOM 398 CE2 PHE A 318 1.425 2.103 -4.640 1.00 0.21 C ATOM 399 CZ PHE A 318 0.883 0.904 -4.217 1.00 0.21 C ATOM 0 H PHE A 318 4.765 1.019 -0.084 1.00 0.11 H new ATOM 0 HA PHE A 318 5.472 2.401 -2.594 1.00 0.10 H new ATOM 0 HB2 PHE A 318 3.190 3.078 -0.687 1.00 0.12 H new ATOM 0 HB3 PHE A 318 3.692 4.062 -2.048 1.00 0.12 H new ATOM 0 HD1 PHE A 318 2.377 0.672 -1.211 1.00 0.15 H new ATOM 0 HD2 PHE A 318 2.734 3.721 -4.162 1.00 0.18 H new ATOM 0 HE1 PHE A 318 0.815 -0.547 -2.654 1.00 0.19 H new ATOM 0 HE2 PHE A 318 1.156 2.507 -5.605 1.00 0.21 H new ATOM 0 HZ PHE A 318 0.189 0.370 -4.849 1.00 0.21 H new ATOM 409 N HIS A 319 6.308 4.455 -1.238 1.00 0.11 N ATOM 410 CA HIS A 319 6.959 5.476 -0.433 1.00 0.12 C ATOM 411 C HIS A 319 5.919 6.479 0.032 1.00 0.12 C ATOM 412 O HIS A 319 4.967 6.761 -0.704 1.00 0.13 O ATOM 413 CB HIS A 319 8.058 6.208 -1.215 1.00 0.14 C ATOM 414 CG HIS A 319 9.264 5.369 -1.508 1.00 0.14 C ATOM 415 ND1 HIS A 319 9.560 4.958 -2.784 1.00 0.16 N ATOM 416 CD2 HIS A 319 10.215 4.906 -0.663 1.00 0.17 C ATOM 417 CE1 HIS A 319 10.675 4.256 -2.689 1.00 0.18 C ATOM 418 NE2 HIS A 319 11.111 4.199 -1.425 1.00 0.18 N ATOM 0 H HIS A 319 6.217 4.691 -2.226 1.00 0.11 H new ATOM 0 HA HIS A 319 7.428 4.985 0.420 1.00 0.12 H new ATOM 0 HB2 HIS A 319 7.641 6.567 -2.156 1.00 0.14 H new ATOM 0 HB3 HIS A 319 8.369 7.086 -0.648 1.00 0.14 H new ATOM 0 HD2 HIS A 319 10.260 5.063 0.405 1.00 0.17 H new ATOM 0 HE1 HIS A 319 11.172 3.787 -3.526 1.00 0.18 H new ATOM 0 HE2 HIS A 319 11.949 3.722 -1.092 1.00 0.18 H new ATOM 426 N LEU A 320 6.097 7.021 1.225 1.00 0.14 N ATOM 427 CA LEU A 320 5.092 7.888 1.825 1.00 0.15 C ATOM 428 C LEU A 320 4.770 9.072 0.916 1.00 0.14 C ATOM 429 O LEU A 320 3.613 9.286 0.545 1.00 0.15 O ATOM 430 CB LEU A 320 5.566 8.385 3.189 1.00 0.18 C ATOM 431 CG LEU A 320 5.785 7.295 4.245 1.00 0.22 C ATOM 432 CD1 LEU A 320 6.268 7.909 5.551 1.00 0.27 C ATOM 433 CD2 LEU A 320 4.503 6.503 4.473 1.00 0.23 C ATOM 0 H LEU A 320 6.928 6.877 1.799 1.00 0.14 H new ATOM 0 HA LEU A 320 4.181 7.304 1.957 1.00 0.15 H new ATOM 0 HB2 LEU A 320 6.500 8.930 3.054 1.00 0.18 H new ATOM 0 HB3 LEU A 320 4.835 9.097 3.572 1.00 0.18 H new ATOM 0 HG LEU A 320 6.551 6.612 3.878 1.00 0.22 H new ATOM 0 HD11 LEU A 320 6.418 7.122 6.290 1.00 0.27 H new ATOM 0 HD12 LEU A 320 7.209 8.432 5.381 1.00 0.27 H new ATOM 0 HD13 LEU A 320 5.523 8.614 5.919 1.00 0.27 H new ATOM 0 HD21 LEU A 320 4.679 5.734 5.226 1.00 0.23 H new ATOM 0 HD22 LEU A 320 3.717 7.175 4.817 1.00 0.23 H new ATOM 0 HD23 LEU A 320 4.195 6.033 3.539 1.00 0.23 H new ATOM 445 N ALA A 321 5.804 9.806 0.528 1.00 0.15 N ATOM 446 CA ALA A 321 5.641 11.006 -0.286 1.00 0.16 C ATOM 447 C ALA A 321 5.302 10.674 -1.740 1.00 0.16 C ATOM 448 O ALA A 321 4.844 11.536 -2.488 1.00 0.20 O ATOM 449 CB ALA A 321 6.908 11.843 -0.223 1.00 0.19 C ATOM 0 H ALA A 321 6.772 9.590 0.765 1.00 0.15 H new ATOM 0 HA ALA A 321 4.803 11.572 0.121 1.00 0.16 H new ATOM 0 HB1 ALA A 321 6.783 12.738 -0.832 1.00 0.19 H new ATOM 0 HB2 ALA A 321 7.103 12.131 0.810 1.00 0.19 H new ATOM 0 HB3 ALA A 321 7.748 11.261 -0.602 1.00 0.19 H new ATOM 455 N CYS A 322 5.545 9.438 -2.147 1.00 0.15 N ATOM 456 CA CYS A 322 5.238 9.018 -3.512 1.00 0.16 C ATOM 457 C CYS A 322 3.754 8.712 -3.669 1.00 0.14 C ATOM 458 O CYS A 322 3.223 8.714 -4.778 1.00 0.18 O ATOM 459 CB CYS A 322 6.074 7.802 -3.906 1.00 0.17 C ATOM 460 SG CYS A 322 7.868 8.124 -3.958 1.00 0.21 S ATOM 0 H CYS A 322 5.951 8.710 -1.559 1.00 0.15 H new ATOM 0 HA CYS A 322 5.490 9.843 -4.179 1.00 0.16 H new ATOM 0 HB2 CYS A 322 5.880 6.995 -3.199 1.00 0.17 H new ATOM 0 HB3 CYS A 322 5.749 7.452 -4.886 1.00 0.17 H new ATOM 465 N LEU A 323 3.090 8.442 -2.556 1.00 0.13 N ATOM 466 CA LEU A 323 1.654 8.210 -2.571 1.00 0.15 C ATOM 467 C LEU A 323 0.876 9.506 -2.749 1.00 0.19 C ATOM 468 O LEU A 323 1.361 10.592 -2.436 1.00 0.20 O ATOM 469 CB LEU A 323 1.212 7.528 -1.281 1.00 0.15 C ATOM 470 CG LEU A 323 1.494 6.031 -1.216 1.00 0.15 C ATOM 471 CD1 LEU A 323 1.278 5.504 0.191 1.00 0.19 C ATOM 472 CD2 LEU A 323 0.596 5.299 -2.196 1.00 0.20 C ATOM 0 H LEU A 323 3.521 8.378 -1.634 1.00 0.13 H new ATOM 0 HA LEU A 323 1.440 7.562 -3.421 1.00 0.15 H new ATOM 0 HB2 LEU A 323 1.710 8.013 -0.442 1.00 0.15 H new ATOM 0 HB3 LEU A 323 0.141 7.687 -1.152 1.00 0.15 H new ATOM 0 HG LEU A 323 2.536 5.858 -1.486 1.00 0.15 H new ATOM 0 HD11 LEU A 323 1.485 4.434 0.215 1.00 0.19 H new ATOM 0 HD12 LEU A 323 1.949 6.018 0.879 1.00 0.19 H new ATOM 0 HD13 LEU A 323 0.245 5.681 0.491 1.00 0.19 H new ATOM 0 HD21 LEU A 323 0.800 4.229 -2.147 1.00 0.20 H new ATOM 0 HD22 LEU A 323 -0.448 5.482 -1.940 1.00 0.20 H new ATOM 0 HD23 LEU A 323 0.790 5.660 -3.206 1.00 0.20 H new ATOM 484 N SER A 324 -0.322 9.372 -3.282 1.00 0.24 N ATOM 485 CA SER A 324 -1.262 10.470 -3.375 1.00 0.30 C ATOM 486 C SER A 324 -2.656 9.949 -3.058 1.00 0.33 C ATOM 487 O SER A 324 -3.249 9.224 -3.860 1.00 0.38 O ATOM 488 CB SER A 324 -1.219 11.098 -4.765 1.00 0.39 C ATOM 489 OG SER A 324 -2.039 12.252 -4.834 1.00 0.93 O ATOM 0 H SER A 324 -0.672 8.494 -3.665 1.00 0.24 H new ATOM 0 HA SER A 324 -0.993 11.245 -2.657 1.00 0.30 H new ATOM 0 HB2 SER A 324 -0.192 11.364 -5.015 1.00 0.39 H new ATOM 0 HB3 SER A 324 -1.549 10.370 -5.506 1.00 0.39 H new ATOM 0 HG SER A 324 -1.991 12.634 -5.735 1.00 0.93 H new ATOM 495 N PRO A 325 -3.202 10.291 -1.883 1.00 0.33 N ATOM 496 CA PRO A 325 -2.574 11.223 -0.938 1.00 0.30 C ATOM 497 C PRO A 325 -1.424 10.587 -0.157 1.00 0.26 C ATOM 498 O PRO A 325 -1.465 9.405 0.186 1.00 0.31 O ATOM 499 CB PRO A 325 -3.732 11.584 -0.011 1.00 0.35 C ATOM 500 CG PRO A 325 -4.581 10.363 0.013 1.00 0.61 C ATOM 501 CD PRO A 325 -4.477 9.764 -1.364 1.00 0.40 C ATOM 0 HA PRO A 325 -2.118 12.078 -1.436 1.00 0.30 H new ATOM 0 HB2 PRO A 325 -3.377 11.841 0.987 1.00 0.35 H new ATOM 0 HB3 PRO A 325 -4.286 12.446 -0.384 1.00 0.35 H new ATOM 0 HG2 PRO A 325 -4.235 9.661 0.772 1.00 0.61 H new ATOM 0 HG3 PRO A 325 -5.615 10.610 0.255 1.00 0.61 H new ATOM 0 HD2 PRO A 325 -4.474 8.675 -1.327 1.00 0.40 H new ATOM 0 HD3 PRO A 325 -5.317 10.059 -1.993 1.00 0.40 H new ATOM 509 N PRO A 326 -0.373 11.372 0.111 1.00 0.22 N ATOM 510 CA PRO A 326 0.807 10.897 0.819 1.00 0.20 C ATOM 511 C PRO A 326 0.556 10.738 2.313 1.00 0.21 C ATOM 512 O PRO A 326 -0.185 11.518 2.917 1.00 0.28 O ATOM 513 CB PRO A 326 1.867 11.983 0.569 1.00 0.20 C ATOM 514 CG PRO A 326 1.220 13.027 -0.290 1.00 0.42 C ATOM 515 CD PRO A 326 -0.262 12.785 -0.255 1.00 0.27 C ATOM 0 HA PRO A 326 1.111 9.911 0.466 1.00 0.20 H new ATOM 0 HB2 PRO A 326 2.209 12.414 1.510 1.00 0.20 H new ATOM 0 HB3 PRO A 326 2.742 11.563 0.074 1.00 0.20 H new ATOM 0 HG2 PRO A 326 1.454 14.026 0.078 1.00 0.42 H new ATOM 0 HG3 PRO A 326 1.594 12.968 -1.312 1.00 0.42 H new ATOM 0 HD2 PRO A 326 -0.756 13.428 0.474 1.00 0.27 H new ATOM 0 HD3 PRO A 326 -0.724 12.986 -1.222 1.00 0.27 H new ATOM 523 N LEU A 327 1.165 9.719 2.897 1.00 0.23 N ATOM 524 CA LEU A 327 1.051 9.471 4.328 1.00 0.25 C ATOM 525 C LEU A 327 2.238 10.082 5.057 1.00 0.25 C ATOM 526 O LEU A 327 3.381 9.910 4.645 1.00 0.32 O ATOM 527 CB LEU A 327 0.992 7.963 4.623 1.00 0.29 C ATOM 528 CG LEU A 327 -0.358 7.273 4.378 1.00 0.35 C ATOM 529 CD1 LEU A 327 -1.448 7.926 5.209 1.00 1.03 C ATOM 530 CD2 LEU A 327 -0.729 7.279 2.902 1.00 0.81 C ATOM 0 H LEU A 327 1.747 9.045 2.400 1.00 0.23 H new ATOM 0 HA LEU A 327 0.127 9.931 4.678 1.00 0.25 H new ATOM 0 HB2 LEU A 327 1.746 7.466 4.013 1.00 0.29 H new ATOM 0 HB3 LEU A 327 1.272 7.807 5.665 1.00 0.29 H new ATOM 0 HG LEU A 327 -0.261 6.232 4.688 1.00 0.35 H new ATOM 0 HD11 LEU A 327 -2.398 7.424 5.023 1.00 1.03 H new ATOM 0 HD12 LEU A 327 -1.197 7.846 6.267 1.00 1.03 H new ATOM 0 HD13 LEU A 327 -1.534 8.978 4.935 1.00 1.03 H new ATOM 0 HD21 LEU A 327 -1.690 6.783 2.766 1.00 0.81 H new ATOM 0 HD22 LEU A 327 -0.799 8.308 2.549 1.00 0.81 H new ATOM 0 HD23 LEU A 327 0.036 6.751 2.332 1.00 0.81 H new ATOM 542 N ARG A 328 1.962 10.801 6.132 1.00 0.25 N ATOM 543 CA ARG A 328 3.022 11.401 6.927 1.00 0.29 C ATOM 544 C ARG A 328 3.490 10.419 7.995 1.00 0.28 C ATOM 545 O ARG A 328 4.637 10.463 8.443 1.00 0.34 O ATOM 546 CB ARG A 328 2.547 12.702 7.576 1.00 0.38 C ATOM 547 CG ARG A 328 1.459 12.514 8.617 1.00 0.50 C ATOM 548 CD ARG A 328 1.043 13.840 9.227 1.00 0.93 C ATOM 549 NE ARG A 328 0.423 14.726 8.243 1.00 1.56 N ATOM 550 CZ ARG A 328 0.066 15.980 8.496 1.00 2.11 C ATOM 551 NH1 ARG A 328 0.353 16.530 9.668 1.00 2.14 N ATOM 552 NH2 ARG A 328 -0.548 16.687 7.560 1.00 3.15 N ATOM 0 H ARG A 328 1.018 10.983 6.474 1.00 0.25 H new ATOM 0 HA ARG A 328 3.857 11.636 6.267 1.00 0.29 H new ATOM 0 HB2 ARG A 328 3.400 13.195 8.042 1.00 0.38 H new ATOM 0 HB3 ARG A 328 2.179 13.370 6.798 1.00 0.38 H new ATOM 0 HG2 ARG A 328 0.594 12.035 8.159 1.00 0.50 H new ATOM 0 HG3 ARG A 328 1.815 11.846 9.402 1.00 0.50 H new ATOM 0 HD2 ARG A 328 0.344 13.660 10.044 1.00 0.93 H new ATOM 0 HD3 ARG A 328 1.916 14.331 9.657 1.00 0.93 H new ATOM 0 HE ARG A 328 0.255 14.359 7.306 1.00 1.56 H new ATOM 0 HH11 ARG A 328 0.849 15.990 10.377 1.00 2.14 H new ATOM 0 HH12 ARG A 328 0.078 17.493 9.860 1.00 2.14 H new ATOM 0 HH21 ARG A 328 -0.744 16.268 6.651 1.00 3.15 H new ATOM 0 HH22 ARG A 328 -0.825 17.651 7.748 1.00 3.15 H new ATOM 566 N GLU A 329 2.592 9.528 8.385 1.00 0.26 N ATOM 567 CA GLU A 329 2.890 8.519 9.388 1.00 0.30 C ATOM 568 C GLU A 329 2.332 7.173 8.950 1.00 0.22 C ATOM 569 O GLU A 329 1.454 7.107 8.088 1.00 0.27 O ATOM 570 CB GLU A 329 2.309 8.919 10.748 1.00 0.47 C ATOM 571 CG GLU A 329 0.800 9.098 10.751 1.00 0.71 C ATOM 572 CD GLU A 329 0.260 9.387 12.136 1.00 1.11 C ATOM 573 OE1 GLU A 329 0.262 10.567 12.547 1.00 1.57 O ATOM 574 OE2 GLU A 329 -0.177 8.439 12.819 1.00 1.23 O ATOM 0 H GLU A 329 1.642 9.484 8.017 1.00 0.26 H new ATOM 0 HA GLU A 329 3.972 8.439 9.491 1.00 0.30 H new ATOM 0 HB2 GLU A 329 2.575 8.159 11.482 1.00 0.47 H new ATOM 0 HB3 GLU A 329 2.775 9.850 11.070 1.00 0.47 H new ATOM 0 HG2 GLU A 329 0.532 9.915 10.081 1.00 0.71 H new ATOM 0 HG3 GLU A 329 0.328 8.197 10.360 1.00 0.71 H new ATOM 581 N ILE A 330 2.858 6.110 9.534 1.00 0.21 N ATOM 582 CA ILE A 330 2.459 4.761 9.168 1.00 0.19 C ATOM 583 C ILE A 330 1.150 4.358 9.836 1.00 0.20 C ATOM 584 O ILE A 330 1.028 4.377 11.063 1.00 0.27 O ATOM 585 CB ILE A 330 3.574 3.748 9.506 1.00 0.25 C ATOM 586 CG1 ILE A 330 4.790 4.032 8.622 1.00 0.28 C ATOM 587 CG2 ILE A 330 3.090 2.314 9.321 1.00 0.26 C ATOM 588 CD1 ILE A 330 4.462 4.037 7.142 1.00 0.26 C ATOM 0 H ILE A 330 3.566 6.155 10.267 1.00 0.21 H new ATOM 0 HA ILE A 330 2.296 4.752 8.090 1.00 0.19 H new ATOM 0 HB ILE A 330 3.853 3.861 10.554 1.00 0.25 H new ATOM 0 HG12 ILE A 330 5.214 4.998 8.897 1.00 0.28 H new ATOM 0 HG13 ILE A 330 5.556 3.281 8.816 1.00 0.28 H new ATOM 0 HG21 ILE A 330 3.897 1.623 9.566 1.00 0.26 H new ATOM 0 HG22 ILE A 330 2.241 2.129 9.979 1.00 0.26 H new ATOM 0 HG23 ILE A 330 2.786 2.163 8.285 1.00 0.26 H new ATOM 0 HD11 ILE A 330 5.366 4.244 6.570 1.00 0.26 H new ATOM 0 HD12 ILE A 330 4.065 3.063 6.854 1.00 0.26 H new ATOM 0 HD13 ILE A 330 3.718 4.807 6.937 1.00 0.26 H new ATOM 600 N PRO A 331 0.154 4.005 9.009 1.00 0.19 N ATOM 601 CA PRO A 331 -1.174 3.592 9.473 1.00 0.23 C ATOM 602 C PRO A 331 -1.124 2.390 10.413 1.00 0.24 C ATOM 603 O PRO A 331 -0.400 1.416 10.169 1.00 0.29 O ATOM 604 CB PRO A 331 -1.930 3.232 8.192 1.00 0.29 C ATOM 605 CG PRO A 331 -0.907 3.154 7.109 1.00 0.27 C ATOM 606 CD PRO A 331 0.256 3.999 7.542 1.00 0.19 C ATOM 0 HA PRO A 331 -1.650 4.385 10.049 1.00 0.23 H new ATOM 0 HB2 PRO A 331 -2.452 2.282 8.303 1.00 0.29 H new ATOM 0 HB3 PRO A 331 -2.684 3.985 7.961 1.00 0.29 H new ATOM 0 HG2 PRO A 331 -0.595 2.122 6.947 1.00 0.27 H new ATOM 0 HG3 PRO A 331 -1.316 3.515 6.165 1.00 0.27 H new ATOM 0 HD2 PRO A 331 1.204 3.577 7.208 1.00 0.19 H new ATOM 0 HD3 PRO A 331 0.194 5.007 7.132 1.00 0.19 H new ATOM 614 N SER A 332 -1.947 2.443 11.453 1.00 0.34 N ATOM 615 CA SER A 332 -1.909 1.464 12.531 1.00 0.45 C ATOM 616 C SER A 332 -2.822 0.274 12.236 1.00 0.37 C ATOM 617 O SER A 332 -3.485 -0.256 13.129 1.00 0.60 O ATOM 618 CB SER A 332 -2.327 2.140 13.840 1.00 0.67 C ATOM 619 OG SER A 332 -3.545 2.854 13.675 1.00 1.66 O ATOM 0 H SER A 332 -2.658 3.164 11.572 1.00 0.34 H new ATOM 0 HA SER A 332 -0.891 1.084 12.620 1.00 0.45 H new ATOM 0 HB2 SER A 332 -2.444 1.389 14.621 1.00 0.67 H new ATOM 0 HB3 SER A 332 -1.543 2.822 14.169 1.00 0.67 H new ATOM 0 HG SER A 332 -3.794 3.276 14.524 1.00 1.66 H new ATOM 625 N GLY A 333 -2.855 -0.138 10.983 1.00 0.41 N ATOM 626 CA GLY A 333 -3.677 -1.260 10.587 1.00 0.34 C ATOM 627 C GLY A 333 -3.313 -1.752 9.212 1.00 0.36 C ATOM 628 O GLY A 333 -2.307 -1.320 8.643 1.00 0.46 O ATOM 0 H GLY A 333 -2.322 0.288 10.225 1.00 0.41 H new ATOM 0 HA2 GLY A 333 -3.560 -2.070 11.307 1.00 0.34 H new ATOM 0 HA3 GLY A 333 -4.727 -0.967 10.604 1.00 0.34 H new ATOM 632 N THR A 334 -4.122 -2.650 8.680 1.00 0.33 N ATOM 633 CA THR A 334 -3.894 -3.195 7.355 1.00 0.34 C ATOM 634 C THR A 334 -4.060 -2.110 6.300 1.00 0.29 C ATOM 635 O THR A 334 -5.162 -1.610 6.078 1.00 0.35 O ATOM 636 CB THR A 334 -4.865 -4.357 7.064 1.00 0.41 C ATOM 637 OG1 THR A 334 -6.216 -3.936 7.302 1.00 0.58 O ATOM 638 CG2 THR A 334 -4.545 -5.559 7.937 1.00 0.48 C ATOM 0 H THR A 334 -4.949 -3.019 9.150 1.00 0.33 H new ATOM 0 HA THR A 334 -2.874 -3.576 7.319 1.00 0.34 H new ATOM 0 HB THR A 334 -4.751 -4.645 6.019 1.00 0.41 H new ATOM 0 HG1 THR A 334 -6.330 -3.012 6.995 1.00 0.58 H new ATOM 0 HG21 THR A 334 -5.243 -6.366 7.714 1.00 0.48 H new ATOM 0 HG22 THR A 334 -3.527 -5.893 7.737 1.00 0.48 H new ATOM 0 HG23 THR A 334 -4.635 -5.281 8.987 1.00 0.48 H new ATOM 646 N TRP A 335 -2.961 -1.743 5.658 1.00 0.23 N ATOM 647 CA TRP A 335 -2.985 -0.661 4.691 1.00 0.20 C ATOM 648 C TRP A 335 -3.411 -1.187 3.328 1.00 0.17 C ATOM 649 O TRP A 335 -3.095 -2.323 2.966 1.00 0.18 O ATOM 650 CB TRP A 335 -1.618 0.024 4.602 1.00 0.21 C ATOM 651 CG TRP A 335 -1.615 1.195 3.667 1.00 0.20 C ATOM 652 CD1 TRP A 335 -2.056 2.459 3.929 1.00 0.23 C ATOM 653 CD2 TRP A 335 -1.164 1.201 2.312 1.00 0.20 C ATOM 654 NE1 TRP A 335 -1.912 3.248 2.814 1.00 0.24 N ATOM 655 CE2 TRP A 335 -1.368 2.496 1.807 1.00 0.23 C ATOM 656 CE3 TRP A 335 -0.611 0.233 1.477 1.00 0.21 C ATOM 657 CZ2 TRP A 335 -1.034 2.844 0.502 1.00 0.27 C ATOM 658 CZ3 TRP A 335 -0.283 0.577 0.185 1.00 0.26 C ATOM 659 CH2 TRP A 335 -0.496 1.874 -0.293 1.00 0.29 C ATOM 0 H TRP A 335 -2.047 -2.177 5.789 1.00 0.23 H new ATOM 0 HA TRP A 335 -3.711 0.082 5.023 1.00 0.20 H new ATOM 0 HB2 TRP A 335 -1.318 0.357 5.596 1.00 0.21 H new ATOM 0 HB3 TRP A 335 -0.874 -0.701 4.271 1.00 0.21 H new ATOM 0 HD1 TRP A 335 -2.459 2.791 4.874 1.00 0.23 H new ATOM 0 HE1 TRP A 335 -2.168 4.233 2.747 1.00 0.24 H new ATOM 0 HE3 TRP A 335 -0.442 -0.771 1.837 1.00 0.21 H new ATOM 0 HZ2 TRP A 335 -1.195 3.846 0.132 1.00 0.27 H new ATOM 0 HZ3 TRP A 335 0.146 -0.167 -0.470 1.00 0.26 H new ATOM 0 HH2 TRP A 335 -0.229 2.113 -1.312 1.00 0.29 H new ATOM 670 N ARG A 336 -4.131 -0.362 2.583 1.00 0.18 N ATOM 671 CA ARG A 336 -4.646 -0.751 1.283 1.00 0.19 C ATOM 672 C ARG A 336 -4.099 0.160 0.195 1.00 0.21 C ATOM 673 O ARG A 336 -4.109 1.380 0.333 1.00 0.27 O ATOM 674 CB ARG A 336 -6.172 -0.689 1.278 1.00 0.28 C ATOM 675 CG ARG A 336 -6.826 -1.652 2.246 1.00 0.43 C ATOM 676 CD ARG A 336 -8.328 -1.442 2.284 1.00 0.63 C ATOM 677 NE ARG A 336 -8.978 -2.215 3.340 1.00 1.09 N ATOM 678 CZ ARG A 336 -10.158 -1.893 3.873 1.00 1.55 C ATOM 679 NH1 ARG A 336 -10.843 -0.860 3.400 1.00 1.85 N ATOM 680 NH2 ARG A 336 -10.668 -2.617 4.862 1.00 1.99 N ATOM 0 H ARG A 336 -4.372 0.589 2.862 1.00 0.18 H new ATOM 0 HA ARG A 336 -4.325 -1.773 1.084 1.00 0.19 H new ATOM 0 HB2 ARG A 336 -6.486 0.326 1.522 1.00 0.28 H new ATOM 0 HB3 ARG A 336 -6.532 -0.900 0.271 1.00 0.28 H new ATOM 0 HG2 ARG A 336 -6.605 -2.678 1.950 1.00 0.43 H new ATOM 0 HG3 ARG A 336 -6.409 -1.511 3.243 1.00 0.43 H new ATOM 0 HD2 ARG A 336 -8.539 -0.383 2.432 1.00 0.63 H new ATOM 0 HD3 ARG A 336 -8.754 -1.721 1.320 1.00 0.63 H new ATOM 0 HE ARG A 336 -8.503 -3.047 3.689 1.00 1.09 H new ATOM 0 HH11 ARG A 336 -10.468 -0.310 2.627 1.00 1.85 H new ATOM 0 HH12 ARG A 336 -11.745 -0.616 3.809 1.00 1.85 H new ATOM 0 HH21 ARG A 336 -10.157 -3.425 5.219 1.00 1.99 H new ATOM 0 HH22 ARG A 336 -11.571 -2.366 5.265 1.00 1.99 H new ATOM 694 N CYS A 337 -3.617 -0.444 -0.881 1.00 0.24 N ATOM 695 CA CYS A 337 -3.116 0.310 -2.023 1.00 0.32 C ATOM 696 C CYS A 337 -4.275 0.804 -2.880 1.00 0.40 C ATOM 697 O CYS A 337 -5.436 0.492 -2.596 1.00 0.37 O ATOM 698 CB CYS A 337 -2.177 -0.561 -2.860 1.00 0.37 C ATOM 699 SG CYS A 337 -2.932 -2.106 -3.462 1.00 0.63 S ATOM 0 H CYS A 337 -3.562 -1.457 -0.988 1.00 0.24 H new ATOM 0 HA CYS A 337 -2.561 1.173 -1.654 1.00 0.32 H new ATOM 0 HB2 CYS A 337 -1.829 0.018 -3.716 1.00 0.37 H new ATOM 0 HB3 CYS A 337 -1.299 -0.807 -2.263 1.00 0.37 H new ATOM 704 N SER A 338 -3.963 1.556 -3.928 1.00 0.53 N ATOM 705 CA SER A 338 -4.979 2.138 -4.799 1.00 0.63 C ATOM 706 C SER A 338 -5.949 1.068 -5.315 1.00 0.62 C ATOM 707 O SER A 338 -7.165 1.272 -5.310 1.00 0.63 O ATOM 708 CB SER A 338 -4.293 2.844 -5.965 1.00 0.81 C ATOM 709 OG SER A 338 -3.181 3.599 -5.507 1.00 1.47 O ATOM 0 H SER A 338 -3.005 1.779 -4.198 1.00 0.53 H new ATOM 0 HA SER A 338 -5.563 2.859 -4.226 1.00 0.63 H new ATOM 0 HB2 SER A 338 -3.963 2.109 -6.699 1.00 0.81 H new ATOM 0 HB3 SER A 338 -5.003 3.500 -6.468 1.00 0.81 H new ATOM 0 HG SER A 338 -2.752 4.044 -6.268 1.00 1.47 H new ATOM 715 N SER A 339 -5.408 -0.077 -5.734 1.00 0.64 N ATOM 716 CA SER A 339 -6.223 -1.186 -6.228 1.00 0.69 C ATOM 717 C SER A 339 -7.262 -1.608 -5.189 1.00 0.59 C ATOM 718 O SER A 339 -8.457 -1.678 -5.481 1.00 0.63 O ATOM 719 CB SER A 339 -5.329 -2.377 -6.592 1.00 0.79 C ATOM 720 OG SER A 339 -6.096 -3.488 -7.027 1.00 1.67 O ATOM 0 H SER A 339 -4.405 -0.260 -5.741 1.00 0.64 H new ATOM 0 HA SER A 339 -6.750 -0.849 -7.120 1.00 0.69 H new ATOM 0 HB2 SER A 339 -4.633 -2.084 -7.378 1.00 0.79 H new ATOM 0 HB3 SER A 339 -4.731 -2.663 -5.727 1.00 0.79 H new ATOM 0 HG SER A 339 -5.497 -4.230 -7.253 1.00 1.67 H new ATOM 726 N CYS A 340 -6.802 -1.852 -3.968 1.00 0.51 N ATOM 727 CA CYS A 340 -7.673 -2.296 -2.889 1.00 0.48 C ATOM 728 C CYS A 340 -8.755 -1.263 -2.597 1.00 0.48 C ATOM 729 O CYS A 340 -9.918 -1.610 -2.406 1.00 0.57 O ATOM 730 CB CYS A 340 -6.853 -2.571 -1.631 1.00 0.45 C ATOM 731 SG CYS A 340 -5.693 -3.963 -1.796 1.00 0.55 S ATOM 0 H CYS A 340 -5.823 -1.749 -3.700 1.00 0.51 H new ATOM 0 HA CYS A 340 -8.162 -3.218 -3.204 1.00 0.48 H new ATOM 0 HB2 CYS A 340 -6.293 -1.673 -1.371 1.00 0.45 H new ATOM 0 HB3 CYS A 340 -7.533 -2.773 -0.803 1.00 0.45 H new ATOM 736 N LEU A 341 -8.366 0.006 -2.582 1.00 0.48 N ATOM 737 CA LEU A 341 -9.296 1.092 -2.293 1.00 0.59 C ATOM 738 C LEU A 341 -10.344 1.209 -3.395 1.00 0.69 C ATOM 739 O LEU A 341 -11.535 1.354 -3.124 1.00 0.85 O ATOM 740 CB LEU A 341 -8.542 2.421 -2.156 1.00 0.66 C ATOM 741 CG LEU A 341 -7.466 2.455 -1.070 1.00 0.62 C ATOM 742 CD1 LEU A 341 -6.733 3.785 -1.092 1.00 0.78 C ATOM 743 CD2 LEU A 341 -8.083 2.209 0.298 1.00 0.65 C ATOM 0 H LEU A 341 -7.410 0.310 -2.767 1.00 0.48 H new ATOM 0 HA LEU A 341 -9.797 0.867 -1.351 1.00 0.59 H new ATOM 0 HB2 LEU A 341 -8.076 2.655 -3.113 1.00 0.66 H new ATOM 0 HB3 LEU A 341 -9.265 3.210 -1.952 1.00 0.66 H new ATOM 0 HG LEU A 341 -6.747 1.661 -1.271 1.00 0.62 H new ATOM 0 HD11 LEU A 341 -5.971 3.793 -0.313 1.00 0.78 H new ATOM 0 HD12 LEU A 341 -6.260 3.924 -2.064 1.00 0.78 H new ATOM 0 HD13 LEU A 341 -7.442 4.594 -0.914 1.00 0.78 H new ATOM 0 HD21 LEU A 341 -7.303 2.237 1.059 1.00 0.65 H new ATOM 0 HD22 LEU A 341 -8.822 2.982 0.508 1.00 0.65 H new ATOM 0 HD23 LEU A 341 -8.566 1.232 0.309 1.00 0.65 H new ATOM 755 N GLN A 342 -9.891 1.113 -4.637 1.00 0.68 N ATOM 756 CA GLN A 342 -10.755 1.305 -5.793 1.00 0.81 C ATOM 757 C GLN A 342 -11.710 0.133 -5.988 1.00 0.87 C ATOM 758 O GLN A 342 -12.803 0.295 -6.532 1.00 1.05 O ATOM 759 CB GLN A 342 -9.897 1.503 -7.042 1.00 0.92 C ATOM 760 CG GLN A 342 -10.691 1.779 -8.308 1.00 1.13 C ATOM 761 CD GLN A 342 -9.798 2.029 -9.508 1.00 1.37 C ATOM 762 OE1 GLN A 342 -8.626 2.595 -9.266 1.00 1.79 O flip ATOM 763 NE2 GLN A 342 -10.162 1.727 -10.644 1.00 1.93 N flip ATOM 0 H GLN A 342 -8.921 0.901 -4.871 1.00 0.68 H new ATOM 0 HA GLN A 342 -11.363 2.193 -5.619 1.00 0.81 H new ATOM 0 HB2 GLN A 342 -9.211 2.332 -6.869 1.00 0.92 H new ATOM 0 HB3 GLN A 342 -9.288 0.612 -7.196 1.00 0.92 H new ATOM 0 HG2 GLN A 342 -11.345 0.932 -8.515 1.00 1.13 H new ATOM 0 HG3 GLN A 342 -11.333 2.646 -8.149 1.00 1.13 H new ATOM 0 HE21 GLN A 342 -11.073 1.292 -10.789 1.00 1.93 H new ATOM 0 HE22 GLN A 342 -9.553 1.912 -11.441 1.00 1.93 H new ATOM 772 N ALA A 343 -11.312 -1.044 -5.534 1.00 0.84 N ATOM 773 CA ALA A 343 -12.117 -2.241 -5.729 1.00 1.01 C ATOM 774 C ALA A 343 -13.097 -2.451 -4.578 1.00 1.11 C ATOM 775 O ALA A 343 -13.855 -3.421 -4.564 1.00 1.31 O ATOM 776 CB ALA A 343 -11.220 -3.458 -5.885 1.00 1.06 C ATOM 0 H ALA A 343 -10.439 -1.197 -5.029 1.00 0.84 H new ATOM 0 HA ALA A 343 -12.699 -2.106 -6.641 1.00 1.01 H new ATOM 0 HB1 ALA A 343 -11.834 -4.347 -6.030 1.00 1.06 H new ATOM 0 HB2 ALA A 343 -10.569 -3.322 -6.749 1.00 1.06 H new ATOM 0 HB3 ALA A 343 -10.612 -3.580 -4.988 1.00 1.06 H new ATOM 782 N THR A 344 -13.101 -1.523 -3.629 1.00 1.11 N ATOM 783 CA THR A 344 -13.960 -1.636 -2.459 1.00 1.35 C ATOM 784 C THR A 344 -14.884 -0.429 -2.348 1.00 1.98 C ATOM 785 O THR A 344 -15.069 0.139 -1.272 1.00 2.69 O ATOM 786 CB THR A 344 -13.137 -1.785 -1.162 1.00 1.92 C ATOM 787 OG1 THR A 344 -12.084 -0.813 -1.130 1.00 2.52 O ATOM 788 CG2 THR A 344 -12.544 -3.182 -1.052 1.00 2.43 C ATOM 0 H THR A 344 -12.520 -0.685 -3.647 1.00 1.11 H new ATOM 0 HA THR A 344 -14.562 -2.536 -2.587 1.00 1.35 H new ATOM 0 HB THR A 344 -13.806 -1.623 -0.317 1.00 1.92 H new ATOM 0 HG1 THR A 344 -11.349 -1.108 -1.707 1.00 2.52 H new ATOM 0 HG21 THR A 344 -11.969 -3.261 -0.130 1.00 2.43 H new ATOM 0 HG22 THR A 344 -13.347 -3.919 -1.043 1.00 2.43 H new ATOM 0 HG23 THR A 344 -11.891 -3.368 -1.904 1.00 2.43 H new ATOM 796 N VAL A 345 -15.450 -0.033 -3.476 1.00 2.46 N ATOM 797 CA VAL A 345 -16.357 1.102 -3.512 1.00 3.48 C ATOM 798 C VAL A 345 -17.793 0.639 -3.306 1.00 3.77 C ATOM 799 O VAL A 345 -18.389 0.919 -2.266 1.00 4.41 O ATOM 800 CB VAL A 345 -16.253 1.877 -4.841 1.00 4.43 C ATOM 801 CG1 VAL A 345 -17.181 3.084 -4.828 1.00 5.52 C ATOM 802 CG2 VAL A 345 -14.818 2.313 -5.092 1.00 4.61 C ATOM 0 H VAL A 345 -15.297 -0.481 -4.379 1.00 2.46 H new ATOM 0 HA VAL A 345 -16.067 1.773 -2.703 1.00 3.48 H new ATOM 0 HB VAL A 345 -16.559 1.215 -5.651 1.00 4.43 H new ATOM 0 HG11 VAL A 345 -17.095 3.619 -5.774 1.00 5.52 H new ATOM 0 HG12 VAL A 345 -18.210 2.751 -4.692 1.00 5.52 H new ATOM 0 HG13 VAL A 345 -16.904 3.747 -4.009 1.00 5.52 H new ATOM 0 HG21 VAL A 345 -14.763 2.859 -6.034 1.00 4.61 H new ATOM 0 HG22 VAL A 345 -14.486 2.959 -4.279 1.00 4.61 H new ATOM 0 HG23 VAL A 345 -14.175 1.435 -5.143 1.00 4.61 H new ATOM 812 N GLN A 346 -18.324 -0.088 -4.294 1.00 3.72 N ATOM 813 CA GLN A 346 -19.703 -0.589 -4.264 1.00 4.43 C ATOM 814 C GLN A 346 -20.717 0.542 -4.396 1.00 4.64 C ATOM 815 O GLN A 346 -20.650 1.551 -3.693 1.00 4.85 O ATOM 816 CB GLN A 346 -19.985 -1.398 -2.994 1.00 4.92 C ATOM 817 CG GLN A 346 -19.362 -2.782 -2.996 1.00 5.36 C ATOM 818 CD GLN A 346 -19.780 -3.592 -4.208 1.00 6.22 C ATOM 819 OE1 GLN A 346 -19.100 -3.591 -5.233 1.00 6.73 O ATOM 820 NE2 GLN A 346 -20.917 -4.261 -4.111 1.00 6.73 N ATOM 0 H GLN A 346 -17.811 -0.346 -5.137 1.00 3.72 H new ATOM 0 HA GLN A 346 -19.811 -1.250 -5.124 1.00 4.43 H new ATOM 0 HB2 GLN A 346 -19.613 -0.844 -2.132 1.00 4.92 H new ATOM 0 HB3 GLN A 346 -21.063 -1.496 -2.869 1.00 4.92 H new ATOM 0 HG2 GLN A 346 -18.276 -2.691 -2.978 1.00 5.36 H new ATOM 0 HG3 GLN A 346 -19.652 -3.311 -2.089 1.00 5.36 H new ATOM 0 HE21 GLN A 346 -21.451 -4.236 -3.242 1.00 6.73 H new ATOM 0 HE22 GLN A 346 -21.260 -4.802 -4.905 1.00 6.73 H new ATOM 829 N GLU A 347 -21.657 0.364 -5.310 1.00 5.05 N ATOM 830 CA GLU A 347 -22.705 1.347 -5.525 1.00 5.69 C ATOM 831 C GLU A 347 -23.700 1.362 -4.367 1.00 6.30 C ATOM 832 O GLU A 347 -24.040 0.319 -3.801 1.00 6.66 O ATOM 833 CB GLU A 347 -23.436 1.088 -6.841 1.00 6.27 C ATOM 834 CG GLU A 347 -23.816 -0.363 -7.043 1.00 6.68 C ATOM 835 CD GLU A 347 -24.684 -0.574 -8.264 1.00 7.28 C ATOM 836 OE1 GLU A 347 -24.151 -0.535 -9.391 1.00 7.60 O ATOM 837 OE2 GLU A 347 -25.905 -0.778 -8.099 1.00 7.68 O ATOM 0 H GLU A 347 -21.715 -0.454 -5.916 1.00 5.05 H new ATOM 0 HA GLU A 347 -22.227 2.325 -5.577 1.00 5.69 H new ATOM 0 HB2 GLU A 347 -24.338 1.700 -6.874 1.00 6.27 H new ATOM 0 HB3 GLU A 347 -22.803 1.409 -7.669 1.00 6.27 H new ATOM 0 HG2 GLU A 347 -22.910 -0.962 -7.138 1.00 6.68 H new ATOM 0 HG3 GLU A 347 -24.344 -0.722 -6.160 1.00 6.68 H new ATOM 844 N VAL A 348 -24.139 2.556 -4.007 1.00 6.79 N ATOM 845 CA VAL A 348 -25.151 2.728 -2.979 1.00 7.69 C ATOM 846 C VAL A 348 -26.351 3.481 -3.568 1.00 8.41 C ATOM 847 O VAL A 348 -26.991 4.309 -2.909 1.00 9.19 O ATOM 848 CB VAL A 348 -24.563 3.462 -1.744 1.00 8.24 C ATOM 849 CG1 VAL A 348 -24.181 4.897 -2.077 1.00 8.98 C ATOM 850 CG2 VAL A 348 -25.518 3.409 -0.557 1.00 8.51 C ATOM 0 H VAL A 348 -23.806 3.429 -4.416 1.00 6.79 H new ATOM 0 HA VAL A 348 -25.490 1.750 -2.637 1.00 7.69 H new ATOM 0 HB VAL A 348 -23.652 2.936 -1.459 1.00 8.24 H new ATOM 0 HG11 VAL A 348 -23.773 5.380 -1.189 1.00 8.98 H new ATOM 0 HG12 VAL A 348 -23.432 4.900 -2.868 1.00 8.98 H new ATOM 0 HG13 VAL A 348 -25.065 5.440 -2.412 1.00 8.98 H new ATOM 0 HG21 VAL A 348 -25.075 3.932 0.290 1.00 8.51 H new ATOM 0 HG22 VAL A 348 -26.460 3.887 -0.826 1.00 8.51 H new ATOM 0 HG23 VAL A 348 -25.703 2.370 -0.285 1.00 8.51 H new ATOM 860 N GLN A 349 -26.639 3.168 -4.835 1.00 8.35 N ATOM 861 CA GLN A 349 -27.713 3.816 -5.596 1.00 9.25 C ATOM 862 C GLN A 349 -27.353 5.262 -5.949 1.00 9.81 C ATOM 863 O GLN A 349 -26.548 5.902 -5.266 1.00 9.85 O ATOM 864 CB GLN A 349 -29.052 3.751 -4.842 1.00 9.50 C ATOM 865 CG GLN A 349 -29.662 2.355 -4.799 1.00 9.64 C ATOM 866 CD GLN A 349 -29.894 1.781 -6.185 1.00 10.09 C ATOM 867 OE1 GLN A 349 -30.943 1.991 -6.792 1.00 10.30 O ATOM 868 NE2 GLN A 349 -28.922 1.042 -6.690 1.00 10.48 N ATOM 0 H GLN A 349 -26.133 2.457 -5.363 1.00 8.35 H new ATOM 0 HA GLN A 349 -27.829 3.264 -6.529 1.00 9.25 H new ATOM 0 HB2 GLN A 349 -28.902 4.104 -3.822 1.00 9.50 H new ATOM 0 HB3 GLN A 349 -29.759 4.433 -5.315 1.00 9.50 H new ATOM 0 HG2 GLN A 349 -29.003 1.691 -4.239 1.00 9.64 H new ATOM 0 HG3 GLN A 349 -30.609 2.392 -4.261 1.00 9.64 H new ATOM 0 HE21 GLN A 349 -28.066 0.891 -6.156 1.00 10.48 H new ATOM 0 HE22 GLN A 349 -29.027 0.623 -7.614 1.00 10.48 H new ATOM 877 N PRO A 350 -27.928 5.784 -7.048 1.00 10.46 N ATOM 878 CA PRO A 350 -27.647 7.140 -7.532 1.00 11.22 C ATOM 879 C PRO A 350 -28.220 8.232 -6.631 1.00 12.02 C ATOM 880 O PRO A 350 -29.160 8.935 -7.004 1.00 12.51 O ATOM 881 CB PRO A 350 -28.320 7.176 -8.904 1.00 11.80 C ATOM 882 CG PRO A 350 -29.404 6.163 -8.820 1.00 11.63 C ATOM 883 CD PRO A 350 -28.895 5.081 -7.914 1.00 10.74 C ATOM 0 HA PRO A 350 -26.575 7.338 -7.556 1.00 11.22 H new ATOM 0 HB2 PRO A 350 -28.720 8.166 -9.123 1.00 11.80 H new ATOM 0 HB3 PRO A 350 -27.613 6.935 -9.698 1.00 11.80 H new ATOM 0 HG2 PRO A 350 -30.319 6.604 -8.424 1.00 11.63 H new ATOM 0 HG3 PRO A 350 -29.642 5.765 -9.806 1.00 11.63 H new ATOM 0 HD2 PRO A 350 -29.701 4.631 -7.334 1.00 10.74 H new ATOM 0 HD3 PRO A 350 -28.420 4.277 -8.476 1.00 10.74 H new ATOM 891 N ARG A 351 -27.639 8.376 -5.453 1.00 12.32 N ATOM 892 CA ARG A 351 -28.032 9.417 -4.522 1.00 13.21 C ATOM 893 C ARG A 351 -26.787 10.071 -3.942 1.00 14.01 C ATOM 894 O ARG A 351 -26.385 11.146 -4.385 1.00 14.62 O ATOM 895 CB ARG A 351 -28.923 8.860 -3.413 1.00 13.33 C ATOM 896 CG ARG A 351 -30.291 8.450 -3.919 1.00 13.46 C ATOM 897 CD ARG A 351 -31.085 9.647 -4.421 1.00 13.60 C ATOM 898 NE ARG A 351 -32.342 9.244 -5.048 1.00 14.02 N ATOM 899 CZ ARG A 351 -32.668 9.531 -6.309 1.00 14.33 C ATOM 900 NH1 ARG A 351 -31.823 10.214 -7.075 1.00 14.26 N ATOM 901 NH2 ARG A 351 -33.822 9.120 -6.813 1.00 14.87 N ATOM 0 H ARG A 351 -26.885 7.777 -5.117 1.00 12.32 H new ATOM 0 HA ARG A 351 -28.614 10.167 -5.057 1.00 13.21 H new ATOM 0 HB2 ARG A 351 -28.435 7.999 -2.957 1.00 13.33 H new ATOM 0 HB3 ARG A 351 -29.038 9.612 -2.632 1.00 13.33 H new ATOM 0 HG2 ARG A 351 -30.179 7.724 -4.724 1.00 13.46 H new ATOM 0 HG3 ARG A 351 -30.843 7.957 -3.119 1.00 13.46 H new ATOM 0 HD2 ARG A 351 -31.294 10.319 -3.588 1.00 13.60 H new ATOM 0 HD3 ARG A 351 -30.484 10.206 -5.139 1.00 13.60 H new ATOM 0 HE ARG A 351 -33.009 8.712 -4.489 1.00 14.02 H new ATOM 0 HH11 ARG A 351 -30.925 10.519 -6.698 1.00 14.26 H new ATOM 0 HH12 ARG A 351 -32.072 10.433 -8.039 1.00 14.26 H new ATOM 0 HH21 ARG A 351 -34.467 8.581 -6.236 1.00 14.87 H new ATOM 0 HH22 ARG A 351 -34.065 9.343 -7.778 1.00 14.87 H new ATOM 915 N ALA A 352 -26.176 9.388 -2.970 1.00 14.16 N ATOM 916 CA ALA A 352 -24.884 9.781 -2.403 1.00 15.05 C ATOM 917 C ALA A 352 -24.838 11.256 -2.004 1.00 15.58 C ATOM 918 O ALA A 352 -24.291 12.089 -2.729 1.00 15.81 O ATOM 919 CB ALA A 352 -23.763 9.459 -3.382 1.00 15.21 C ATOM 0 H ALA A 352 -26.566 8.543 -2.553 1.00 14.16 H new ATOM 0 HA ALA A 352 -24.746 9.204 -1.488 1.00 15.05 H new ATOM 0 HB1 ALA A 352 -22.807 9.755 -2.951 1.00 15.21 H new ATOM 0 HB2 ALA A 352 -23.753 8.388 -3.585 1.00 15.21 H new ATOM 0 HB3 ALA A 352 -23.925 10.003 -4.313 1.00 15.21 H new ATOM 925 N GLU A 353 -25.388 11.565 -0.839 1.00 15.90 N ATOM 926 CA GLU A 353 -25.376 12.930 -0.312 1.00 16.56 C ATOM 927 C GLU A 353 -24.018 13.272 0.311 1.00 17.16 C ATOM 928 O GLU A 353 -23.926 14.129 1.193 1.00 17.69 O ATOM 929 CB GLU A 353 -26.494 13.102 0.717 1.00 16.64 C ATOM 930 CG GLU A 353 -26.386 12.170 1.916 1.00 17.13 C ATOM 931 CD GLU A 353 -27.689 12.058 2.673 1.00 17.09 C ATOM 932 OE1 GLU A 353 -28.547 11.247 2.273 1.00 17.07 O ATOM 933 OE2 GLU A 353 -27.856 12.783 3.678 1.00 17.21 O ATOM 0 H GLU A 353 -25.852 10.887 -0.234 1.00 15.90 H new ATOM 0 HA GLU A 353 -25.545 13.618 -1.140 1.00 16.56 H new ATOM 0 HB2 GLU A 353 -26.492 14.133 1.071 1.00 16.64 H new ATOM 0 HB3 GLU A 353 -27.453 12.935 0.226 1.00 16.64 H new ATOM 0 HG2 GLU A 353 -26.078 11.180 1.578 1.00 17.13 H new ATOM 0 HG3 GLU A 353 -25.608 12.534 2.587 1.00 17.13 H new ATOM 940 N GLU A 354 -22.977 12.592 -0.174 1.00 17.19 N ATOM 941 CA GLU A 354 -21.601 12.787 0.278 1.00 17.88 C ATOM 942 C GLU A 354 -21.455 12.399 1.745 1.00 18.30 C ATOM 943 O GLU A 354 -21.352 11.186 2.021 1.00 18.38 O ATOM 944 CB GLU A 354 -21.135 14.229 0.036 1.00 17.97 C ATOM 945 CG GLU A 354 -21.240 14.657 -1.420 1.00 18.18 C ATOM 946 CD GLU A 354 -20.614 16.010 -1.687 1.00 18.58 C ATOM 947 OE1 GLU A 354 -21.186 17.029 -1.243 1.00 18.79 O ATOM 948 OE2 GLU A 354 -19.549 16.063 -2.336 1.00 18.81 O ATOM 949 OXT GLU A 354 -21.438 13.296 2.612 1.00 18.67 O ATOM 0 H GLU A 354 -23.069 11.882 -0.901 1.00 17.19 H new ATOM 0 HA GLU A 354 -20.958 12.132 -0.310 1.00 17.88 H new ATOM 0 HB2 GLU A 354 -21.731 14.904 0.650 1.00 17.97 H new ATOM 0 HB3 GLU A 354 -20.100 14.329 0.364 1.00 17.97 H new ATOM 0 HG2 GLU A 354 -20.756 13.909 -2.048 1.00 18.18 H new ATOM 0 HG3 GLU A 354 -22.290 14.686 -1.709 1.00 18.18 H new TER 956 GLU A 354 ATOM 957 N ALA B 1 0.286 -1.455 9.060 1.00 0.29 N ATOM 958 CA ALA B 1 0.811 -1.478 7.680 1.00 0.21 C ATOM 959 C ALA B 1 2.084 -2.305 7.616 1.00 0.20 C ATOM 960 O ALA B 1 2.857 -2.334 8.572 1.00 0.28 O ATOM 961 CB ALA B 1 1.065 -0.060 7.188 1.00 0.21 C ATOM 0 H1 ALA B 1 -0.689 -1.816 9.066 1.00 0.29 H new ATOM 0 H2 ALA B 1 0.881 -2.054 9.668 1.00 0.29 H new ATOM 0 H3 ALA B 1 0.296 -0.479 9.419 1.00 0.29 H new ATOM 0 HA ALA B 1 0.068 -1.939 7.029 1.00 0.21 H new ATOM 0 HB1 ALA B 1 1.452 -0.092 6.169 1.00 0.21 H new ATOM 0 HB2 ALA B 1 0.132 0.503 7.204 1.00 0.21 H new ATOM 0 HB3 ALA B 1 1.793 0.426 7.838 1.00 0.21 H new ATOM 969 N ARG B 2 2.294 -2.983 6.495 1.00 0.18 N ATOM 970 CA ARG B 2 3.471 -3.822 6.325 1.00 0.19 C ATOM 971 C ARG B 2 4.668 -2.969 5.908 1.00 0.23 C ATOM 972 O ARG B 2 5.010 -2.876 4.733 1.00 0.61 O ATOM 973 CB ARG B 2 3.185 -4.942 5.309 1.00 0.21 C ATOM 974 CG ARG B 2 4.398 -5.794 4.958 1.00 0.24 C ATOM 975 CD ARG B 2 4.002 -7.123 4.337 1.00 0.33 C ATOM 976 NE ARG B 2 2.879 -7.023 3.407 1.00 0.32 N ATOM 977 CZ ARG B 2 1.742 -7.708 3.544 1.00 0.44 C ATOM 978 NH1 ARG B 2 1.486 -8.377 4.662 1.00 0.54 N ATOM 979 NH2 ARG B 2 0.839 -7.678 2.585 1.00 0.69 N ATOM 0 H ARG B 2 1.665 -2.968 5.692 1.00 0.18 H new ATOM 0 HA ARG B 2 3.717 -4.296 7.275 1.00 0.19 H new ATOM 0 HB2 ARG B 2 2.405 -5.589 5.709 1.00 0.21 H new ATOM 0 HB3 ARG B 2 2.792 -4.496 4.395 1.00 0.21 H new ATOM 0 HG2 ARG B 2 5.037 -5.246 4.265 1.00 0.24 H new ATOM 0 HG3 ARG B 2 4.986 -5.976 5.858 1.00 0.24 H new ATOM 0 HD2 ARG B 2 4.862 -7.540 3.812 1.00 0.33 H new ATOM 0 HD3 ARG B 2 3.744 -7.823 5.131 1.00 0.33 H new ATOM 0 HE ARG B 2 2.969 -6.395 2.609 1.00 0.32 H new ATOM 0 HH11 ARG B 2 2.161 -8.370 5.426 1.00 0.54 H new ATOM 0 HH12 ARG B 2 0.614 -8.897 4.757 1.00 0.54 H new ATOM 0 HH21 ARG B 2 1.010 -7.132 1.740 1.00 0.69 H new ATOM 0 HH22 ARG B 2 -0.031 -8.201 2.687 1.00 0.69 H new ATOM 993 N THR B 3 5.281 -2.327 6.885 1.00 0.29 N ATOM 994 CA THR B 3 6.399 -1.435 6.638 1.00 0.30 C ATOM 995 C THR B 3 7.676 -2.197 6.308 1.00 0.31 C ATOM 996 O THR B 3 7.863 -3.333 6.740 1.00 0.38 O ATOM 997 CB THR B 3 6.636 -0.533 7.857 1.00 0.33 C ATOM 998 OG1 THR B 3 6.198 -1.205 9.048 1.00 0.95 O ATOM 999 CG2 THR B 3 5.889 0.779 7.704 1.00 0.70 C ATOM 0 H THR B 3 5.020 -2.408 7.868 1.00 0.29 H new ATOM 0 HA THR B 3 6.141 -0.825 5.772 1.00 0.30 H new ATOM 0 HB THR B 3 7.702 -0.319 7.931 1.00 0.33 H new ATOM 0 HG1 THR B 3 6.352 -0.628 9.825 1.00 0.95 H new ATOM 0 HG21 THR B 3 6.070 1.405 8.578 1.00 0.70 H new ATOM 0 HG22 THR B 3 6.239 1.295 6.810 1.00 0.70 H new ATOM 0 HG23 THR B 3 4.821 0.581 7.614 1.00 0.70 H new ATOM 1007 N LYS B 4 8.541 -1.566 5.524 1.00 0.28 N ATOM 1008 CA LYS B 4 9.824 -2.146 5.154 1.00 0.30 C ATOM 1009 C LYS B 4 10.928 -1.112 5.295 1.00 0.34 C ATOM 1010 O LYS B 4 10.796 0.015 4.818 1.00 0.37 O ATOM 1011 CB LYS B 4 9.809 -2.645 3.708 1.00 0.30 C ATOM 1012 CG LYS B 4 8.792 -3.735 3.427 1.00 0.34 C ATOM 1013 CD LYS B 4 8.776 -4.101 1.951 1.00 0.40 C ATOM 1014 CE LYS B 4 10.130 -4.603 1.467 1.00 0.54 C ATOM 1015 NZ LYS B 4 10.450 -5.975 1.949 1.00 0.75 N ATOM 0 H LYS B 4 8.373 -0.641 5.128 1.00 0.28 H new ATOM 0 HA LYS B 4 10.008 -2.987 5.822 1.00 0.30 H new ATOM 0 HB2 LYS B 4 9.609 -1.801 3.048 1.00 0.30 H new ATOM 0 HB3 LYS B 4 10.802 -3.018 3.456 1.00 0.30 H new ATOM 0 HG2 LYS B 4 9.027 -4.618 4.021 1.00 0.34 H new ATOM 0 HG3 LYS B 4 7.801 -3.400 3.733 1.00 0.34 H new ATOM 0 HD2 LYS B 4 8.023 -4.869 1.777 1.00 0.40 H new ATOM 0 HD3 LYS B 4 8.483 -3.229 1.366 1.00 0.40 H new ATOM 0 HE2 LYS B 4 10.146 -4.594 0.377 1.00 0.54 H new ATOM 0 HE3 LYS B 4 10.907 -3.916 1.803 1.00 0.54 H new ATOM 0 HZ1 LYS B 4 11.367 -6.275 1.560 1.00 0.75 H new ATOM 0 HZ2 LYS B 4 10.498 -5.976 2.988 1.00 0.75 H new ATOM 0 HZ3 LYS B 4 9.709 -6.634 1.636 1.00 0.75 H new ATOM 1029 N GLN B 5 12.007 -1.496 5.946 1.00 0.46 N ATOM 1030 CA GLN B 5 13.178 -0.644 6.039 1.00 0.52 C ATOM 1031 C GLN B 5 14.266 -1.189 5.129 1.00 0.57 C ATOM 1032 O GLN B 5 15.133 -1.951 5.560 1.00 1.35 O ATOM 1033 CB GLN B 5 13.677 -0.558 7.485 1.00 0.73 C ATOM 1034 CG GLN B 5 12.623 -0.061 8.463 1.00 1.45 C ATOM 1035 CD GLN B 5 12.021 1.278 8.061 1.00 2.10 C ATOM 1036 OE1 GLN B 5 12.664 2.098 7.405 1.00 2.62 O ATOM 1037 NE2 GLN B 5 10.780 1.512 8.460 1.00 2.88 N ATOM 0 H GLN B 5 12.099 -2.395 6.420 1.00 0.46 H new ATOM 0 HA GLN B 5 12.912 0.364 5.721 1.00 0.52 H new ATOM 0 HB2 GLN B 5 14.019 -1.543 7.802 1.00 0.73 H new ATOM 0 HB3 GLN B 5 14.540 0.107 7.524 1.00 0.73 H new ATOM 0 HG2 GLN B 5 11.828 -0.802 8.539 1.00 1.45 H new ATOM 0 HG3 GLN B 5 13.069 0.030 9.453 1.00 1.45 H new ATOM 0 HE21 GLN B 5 10.278 0.809 9.002 1.00 2.88 H new ATOM 0 HE22 GLN B 5 10.327 2.395 8.225 1.00 2.88 H new ATOM 1046 N THR B 6 14.195 -0.815 3.860 1.00 0.67 N ATOM 1047 CA THR B 6 15.107 -1.338 2.855 1.00 0.58 C ATOM 1048 C THR B 6 16.115 -0.279 2.428 1.00 0.67 C ATOM 1049 O THR B 6 16.082 0.857 2.907 1.00 0.88 O ATOM 1050 CB THR B 6 14.340 -1.841 1.613 1.00 0.57 C ATOM 1051 OG1 THR B 6 13.410 -0.846 1.162 1.00 1.03 O ATOM 1052 CG2 THR B 6 13.597 -3.133 1.913 1.00 0.70 C ATOM 0 H THR B 6 13.512 -0.148 3.501 1.00 0.67 H new ATOM 0 HA THR B 6 15.638 -2.176 3.307 1.00 0.58 H new ATOM 0 HB THR B 6 15.071 -2.035 0.828 1.00 0.57 H new ATOM 0 HG1 THR B 6 13.343 -0.133 1.832 1.00 1.03 H new ATOM 0 HG21 THR B 6 13.066 -3.463 1.020 1.00 0.70 H new ATOM 0 HG22 THR B 6 14.309 -3.900 2.216 1.00 0.70 H new ATOM 0 HG23 THR B 6 12.882 -2.963 2.718 1.00 0.70 H new ATOM 1060 N ALA B 7 17.014 -0.661 1.532 1.00 0.68 N ATOM 1061 CA ALA B 7 17.998 0.258 0.991 1.00 0.75 C ATOM 1062 C ALA B 7 17.468 0.902 -0.283 1.00 0.70 C ATOM 1063 O ALA B 7 16.942 0.217 -1.164 1.00 0.67 O ATOM 1064 CB ALA B 7 19.302 -0.473 0.723 1.00 0.90 C ATOM 0 H ALA B 7 17.080 -1.610 1.164 1.00 0.68 H new ATOM 0 HA ALA B 7 18.189 1.046 1.720 1.00 0.75 H new ATOM 0 HB1 ALA B 7 20.034 0.225 0.317 1.00 0.90 H new ATOM 0 HB2 ALA B 7 19.681 -0.895 1.654 1.00 0.90 H new ATOM 0 HB3 ALA B 7 19.129 -1.275 0.005 1.00 0.90 H new ATOM 1070 N ARG B 8 17.610 2.217 -0.367 1.00 0.74 N ATOM 1071 CA ARG B 8 17.083 2.986 -1.486 1.00 0.74 C ATOM 1072 C ARG B 8 17.798 2.630 -2.785 1.00 0.82 C ATOM 1073 O ARG B 8 18.944 2.176 -2.773 1.00 1.15 O ATOM 1074 CB ARG B 8 17.220 4.481 -1.211 1.00 0.81 C ATOM 1075 CG ARG B 8 16.429 4.953 -0.003 1.00 0.86 C ATOM 1076 CD ARG B 8 16.493 6.461 0.132 1.00 1.10 C ATOM 1077 NE ARG B 8 15.812 6.952 1.333 1.00 1.72 N ATOM 1078 CZ ARG B 8 16.235 8.000 2.042 1.00 2.18 C ATOM 1079 NH1 ARG B 8 17.347 8.638 1.689 1.00 2.19 N ATOM 1080 NH2 ARG B 8 15.556 8.406 3.102 1.00 3.09 N ATOM 0 H ARG B 8 18.091 2.779 0.335 1.00 0.74 H new ATOM 0 HA ARG B 8 16.028 2.736 -1.597 1.00 0.74 H new ATOM 0 HB2 ARG B 8 18.273 4.719 -1.061 1.00 0.81 H new ATOM 0 HB3 ARG B 8 16.890 5.035 -2.090 1.00 0.81 H new ATOM 0 HG2 ARG B 8 15.390 4.636 -0.098 1.00 0.86 H new ATOM 0 HG3 ARG B 8 16.824 4.486 0.900 1.00 0.86 H new ATOM 0 HD2 ARG B 8 17.536 6.775 0.157 1.00 1.10 H new ATOM 0 HD3 ARG B 8 16.043 6.920 -0.749 1.00 1.10 H new ATOM 0 HE ARG B 8 14.970 6.467 1.643 1.00 1.72 H new ATOM 0 HH11 ARG B 8 17.877 8.326 0.875 1.00 2.19 H new ATOM 0 HH12 ARG B 8 17.669 9.439 2.232 1.00 2.19 H new ATOM 0 HH21 ARG B 8 14.705 7.917 3.380 1.00 3.09 H new ATOM 0 HH22 ARG B 8 15.883 9.208 3.641 1.00 3.09 H new ATOM 1094 N LYS B 9 17.120 2.848 -3.901 1.00 0.77 N ATOM 1095 CA LYS B 9 17.680 2.550 -5.214 1.00 0.91 C ATOM 1096 C LYS B 9 18.125 3.839 -5.890 1.00 1.52 C ATOM 1097 O LYS B 9 18.478 3.854 -7.072 1.00 1.96 O ATOM 1098 CB LYS B 9 16.653 1.817 -6.088 1.00 1.00 C ATOM 1099 CG LYS B 9 16.256 0.449 -5.550 1.00 1.52 C ATOM 1100 CD LYS B 9 17.457 -0.476 -5.443 1.00 2.37 C ATOM 1101 CE LYS B 9 17.073 -1.840 -4.890 1.00 3.15 C ATOM 1102 NZ LYS B 9 16.155 -2.581 -5.795 1.00 3.53 N ATOM 0 H LYS B 9 16.176 3.232 -3.925 1.00 0.77 H new ATOM 0 HA LYS B 9 18.544 1.898 -5.085 1.00 0.91 H new ATOM 0 HB2 LYS B 9 15.760 2.435 -6.179 1.00 1.00 H new ATOM 0 HB3 LYS B 9 17.062 1.698 -7.091 1.00 1.00 H new ATOM 0 HG2 LYS B 9 15.794 0.562 -4.569 1.00 1.52 H new ATOM 0 HG3 LYS B 9 15.508 0.002 -6.205 1.00 1.52 H new ATOM 0 HD2 LYS B 9 17.911 -0.597 -6.427 1.00 2.37 H new ATOM 0 HD3 LYS B 9 18.209 -0.021 -4.799 1.00 2.37 H new ATOM 0 HE2 LYS B 9 17.975 -2.431 -4.729 1.00 3.15 H new ATOM 0 HE3 LYS B 9 16.597 -1.714 -3.918 1.00 3.15 H new ATOM 0 HZ1 LYS B 9 16.003 -3.541 -5.425 1.00 3.53 H new ATOM 0 HZ2 LYS B 9 15.244 -2.083 -5.849 1.00 3.53 H new ATOM 0 HZ3 LYS B 9 16.575 -2.638 -6.745 1.00 3.53 H new ATOM 1116 N SER B 10 18.092 4.915 -5.120 1.00 2.30 N ATOM 1117 CA SER B 10 18.494 6.225 -5.590 1.00 3.23 C ATOM 1118 C SER B 10 19.971 6.234 -5.972 1.00 3.61 C ATOM 1119 O SER B 10 20.823 6.158 -5.062 1.00 4.10 O ATOM 1120 CB SER B 10 18.207 7.261 -4.501 1.00 4.17 C ATOM 1121 OG SER B 10 18.724 6.837 -3.247 1.00 4.45 O ATOM 1122 OXT SER B 10 20.276 6.315 -7.179 1.00 3.81 O ATOM 0 H SER B 10 17.784 4.901 -4.148 1.00 2.30 H new ATOM 0 HA SER B 10 17.922 6.477 -6.483 1.00 3.23 H new ATOM 0 HB2 SER B 10 18.651 8.217 -4.777 1.00 4.17 H new ATOM 0 HB3 SER B 10 17.132 7.421 -4.420 1.00 4.17 H new ATOM 0 HG SER B 10 19.615 6.450 -3.375 1.00 4.45 H new TER 1128 SER B 10 HETATM 1129 ZN ZN A 355 8.153 5.721 -4.703 1.00 0.18 ZN HETATM 1130 ZN ZN A 356 -3.327 -4.120 -2.173 1.00 0.71 ZN