USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 655 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 35 GLN : amide:sc= 0.943 K(o=1.1,f=-3.8!) USER MOD Set 1.2: A 40 HIS : no HD1:sc= 0.182 K(o=1.1,f=-3.7!) USER MOD Single : A 15 ASN : amide:sc= -0.0337 X(o=-0.034,f=-0.089) USER MOD Single : A 16 TYR OH : rot 53:sc= -1.67! USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0.0135 USER MOD Single : A 22 LYS NZ :NH3+ -174:sc= 1.09 (180deg=1.05) USER MOD Single : A 23 THR OG1 : rot 149:sc= 1.73 USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 166:sc= 1.24 USER MOD Single : A 30 GLN : amide:sc= 1.8 K(o=1.8,f=-7.6!) USER MOD Single : A 34 SER OG : rot -114:sc= 0.327 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 HIS :FLIP no HD1:sc= -1.11 F(o=-1.7!,f=-1.1) USER MOD Single : A 42 TYR OH : rot 166:sc= 1.27 USER MOD Single : A 45 SER OG : rot 180:sc= -0.277 USER MOD Single : A 46 LYS NZ :NH3+ -174:sc= 0.0748 (180deg=-0.0465) USER MOD Single : A 49 ASN : amide:sc= -0.257 X(o=-0.26,f=-0.66) USER MOD Single : A 50 LYS NZ :NH3+ -175:sc= 2.32 (180deg=2.29) USER MOD Single : A 51 ASN : amide:sc= -1.07! K(o=-1.1!,f=-3.1) USER MOD Single : A 53 LYS NZ :NH3+ 167:sc= -0.0201 (180deg=-0.19) USER MOD Single : A 54 LYS NZ :NH3+ -153:sc= -1.36 (180deg=-2.4!) USER MOD Single : A 55 ASN : amide:sc= -0.648 K(o=-0.65,f=-3.5!) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0.973 K(o=0.97,f=-8.4!) USER MOD Single : A 70 THR OG1 : rot -80:sc= -0.0279 USER MOD Single : A 71 THR OG1 : rot -37:sc= 0.124 USER MOD Single : A 74 ASN :FLIP amide:sc= 0 F(o=-0.6,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 0:sc= 1.28 USER MOD Single : B 111 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 114 LYS NZ :NH3+ 169:sc= 2.08 (180deg=1.69) USER MOD Single : B 115 ASN : amide:sc= -0.487 X(o=-0.49,f=0) USER MOD Single : B 118 HIS : no HD1:sc= -0.444 K(o=-0.44,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 179 N GLY A 13 -3.816 9.542 3.276 1.00 0.00 N ATOM 180 CA GLY A 13 -4.032 8.883 2.009 1.00 0.00 C ATOM 181 C GLY A 13 -4.746 7.566 2.194 1.00 0.00 C ATOM 182 O GLY A 13 -4.887 6.777 1.264 1.00 0.00 O ATOM 0 HA2 GLY A 13 -4.618 9.529 1.355 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -3.075 8.715 1.516 1.00 0.00 H new ATOM 186 N GLU A 14 -5.173 7.338 3.407 1.00 0.00 N ATOM 187 CA GLU A 14 -5.942 6.167 3.781 1.00 0.00 C ATOM 188 C GLU A 14 -7.356 6.262 3.185 1.00 0.00 C ATOM 189 O GLU A 14 -8.028 5.255 2.948 1.00 0.00 O ATOM 190 CB GLU A 14 -6.006 6.077 5.317 1.00 0.00 C ATOM 191 CG GLU A 14 -6.729 4.848 5.857 1.00 0.00 C ATOM 192 CD GLU A 14 -6.781 4.806 7.364 1.00 0.00 C ATOM 193 OE1 GLU A 14 -6.461 5.817 8.023 1.00 0.00 O ATOM 194 OE2 GLU A 14 -7.153 3.761 7.928 1.00 0.00 O ATOM 0 H GLU A 14 -4.995 7.972 4.186 1.00 0.00 H new ATOM 0 HA GLU A 14 -5.464 5.268 3.391 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.989 6.085 5.710 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -6.502 6.970 5.699 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -7.745 4.830 5.464 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.230 3.951 5.492 1.00 0.00 H new ATOM 201 N ASN A 15 -7.804 7.483 2.947 1.00 0.00 N ATOM 202 CA ASN A 15 -9.123 7.712 2.385 1.00 0.00 C ATOM 203 C ASN A 15 -9.031 7.924 0.856 1.00 0.00 C ATOM 204 O ASN A 15 -10.045 8.090 0.179 1.00 0.00 O ATOM 205 CB ASN A 15 -9.753 8.931 3.089 1.00 0.00 C ATOM 206 CG ASN A 15 -11.217 9.162 2.765 1.00 0.00 C ATOM 207 OD1 ASN A 15 -11.560 9.884 1.840 1.00 0.00 O ATOM 208 ND2 ASN A 15 -12.086 8.573 3.538 1.00 0.00 N ATOM 0 H ASN A 15 -7.272 8.333 3.135 1.00 0.00 H new ATOM 0 HA ASN A 15 -9.756 6.840 2.549 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -9.649 8.805 4.167 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -9.189 9.823 2.816 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -13.084 8.709 3.379 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -11.768 7.976 4.302 1.00 0.00 H new ATOM 215 N TYR A 16 -7.798 7.855 0.323 1.00 0.00 N ATOM 216 CA TYR A 16 -7.518 8.114 -1.105 1.00 0.00 C ATOM 217 C TYR A 16 -8.332 7.189 -2.014 1.00 0.00 C ATOM 218 O TYR A 16 -8.287 5.964 -1.885 1.00 0.00 O ATOM 219 CB TYR A 16 -5.995 8.010 -1.394 1.00 0.00 C ATOM 220 CG TYR A 16 -5.567 8.248 -2.846 1.00 0.00 C ATOM 221 CD1 TYR A 16 -5.540 9.522 -3.399 1.00 0.00 C ATOM 222 CD2 TYR A 16 -5.181 7.193 -3.649 1.00 0.00 C ATOM 223 CE1 TYR A 16 -5.151 9.728 -4.708 1.00 0.00 C ATOM 224 CE2 TYR A 16 -4.784 7.385 -4.959 1.00 0.00 C ATOM 225 CZ TYR A 16 -4.775 8.658 -5.483 1.00 0.00 C ATOM 226 OH TYR A 16 -4.404 8.856 -6.788 1.00 0.00 O ATOM 0 H TYR A 16 -6.968 7.619 0.867 1.00 0.00 H new ATOM 0 HA TYR A 16 -7.830 9.134 -1.330 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -5.476 8.729 -0.761 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -5.656 7.018 -1.094 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -5.829 10.368 -2.793 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -5.190 6.192 -3.243 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -5.142 10.726 -5.121 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -4.484 6.544 -5.566 1.00 0.00 H new ATOM 0 HH TYR A 16 -3.705 9.541 -6.829 1.00 0.00 H new ATOM 236 N ASP A 17 -9.087 7.797 -2.907 1.00 0.00 N ATOM 237 CA ASP A 17 -9.963 7.075 -3.831 1.00 0.00 C ATOM 238 C ASP A 17 -9.480 7.243 -5.261 1.00 0.00 C ATOM 239 O ASP A 17 -10.069 6.692 -6.193 1.00 0.00 O ATOM 240 CB ASP A 17 -11.413 7.594 -3.733 1.00 0.00 C ATOM 241 CG ASP A 17 -11.613 8.973 -4.360 1.00 0.00 C ATOM 242 OD1 ASP A 17 -11.041 9.968 -3.862 1.00 0.00 O ATOM 243 OD2 ASP A 17 -12.347 9.089 -5.371 1.00 0.00 O ATOM 0 H ASP A 17 -9.116 8.810 -3.019 1.00 0.00 H new ATOM 0 HA ASP A 17 -9.937 6.021 -3.554 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -12.079 6.882 -4.221 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -11.705 7.635 -2.684 1.00 0.00 H new ATOM 248 N GLY A 18 -8.378 7.949 -5.416 1.00 0.00 N ATOM 249 CA GLY A 18 -7.855 8.265 -6.735 1.00 0.00 C ATOM 250 C GLY A 18 -7.341 7.053 -7.490 1.00 0.00 C ATOM 251 O GLY A 18 -7.127 5.974 -6.909 1.00 0.00 O ATOM 0 H GLY A 18 -7.824 8.317 -4.643 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -8.639 8.743 -7.323 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.046 8.989 -6.632 1.00 0.00 H new ATOM 255 N LYS A 19 -7.116 7.241 -8.762 1.00 0.00 N ATOM 256 CA LYS A 19 -6.789 6.172 -9.678 1.00 0.00 C ATOM 257 C LYS A 19 -5.291 6.035 -9.946 1.00 0.00 C ATOM 258 O LYS A 19 -4.902 5.408 -10.937 1.00 0.00 O ATOM 259 CB LYS A 19 -7.516 6.428 -10.988 1.00 0.00 C ATOM 260 CG LYS A 19 -9.013 6.601 -10.819 1.00 0.00 C ATOM 261 CD LYS A 19 -9.701 6.955 -12.129 1.00 0.00 C ATOM 262 CE LYS A 19 -9.476 5.905 -13.204 1.00 0.00 C ATOM 263 NZ LYS A 19 -10.226 6.225 -14.428 1.00 0.00 N ATOM 0 H LYS A 19 -7.155 8.159 -9.204 1.00 0.00 H new ATOM 0 HA LYS A 19 -7.104 5.236 -9.217 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -7.104 7.323 -11.455 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -7.328 5.598 -11.668 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -9.441 5.680 -10.423 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -9.206 7.384 -10.086 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -10.771 7.069 -11.955 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -9.331 7.918 -12.482 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -8.413 5.838 -13.433 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -9.784 4.928 -12.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -10.053 5.490 -15.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -11.243 6.265 -14.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -9.914 7.147 -14.795 1.00 0.00 H new ATOM 277 N ILE A 20 -4.454 6.602 -9.101 1.00 0.00 N ATOM 278 CA ILE A 20 -3.036 6.434 -9.275 1.00 0.00 C ATOM 279 C ILE A 20 -2.596 5.029 -8.964 1.00 0.00 C ATOM 280 O ILE A 20 -2.778 4.523 -7.862 1.00 0.00 O ATOM 281 CB ILE A 20 -2.192 7.539 -8.577 1.00 0.00 C ATOM 282 CG1 ILE A 20 -1.952 8.647 -9.584 1.00 0.00 C ATOM 283 CG2 ILE A 20 -0.871 7.020 -8.014 1.00 0.00 C ATOM 284 CD1 ILE A 20 -1.376 9.919 -9.002 1.00 0.00 C ATOM 0 H ILE A 20 -4.730 7.173 -8.302 1.00 0.00 H new ATOM 0 HA ILE A 20 -2.830 6.580 -10.335 1.00 0.00 H new ATOM 0 HB ILE A 20 -2.749 7.909 -7.716 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -1.276 8.278 -10.355 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -2.896 8.884 -10.075 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -0.330 7.839 -7.541 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -1.070 6.243 -7.276 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -0.268 6.607 -8.823 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -1.239 10.653 -9.796 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -2.059 10.318 -8.253 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.414 9.703 -8.537 1.00 0.00 H new ATOM 296 N SER A 21 -2.097 4.406 -9.979 1.00 0.00 N ATOM 297 CA SER A 21 -1.648 3.037 -9.941 1.00 0.00 C ATOM 298 C SER A 21 -0.143 2.933 -10.196 1.00 0.00 C ATOM 299 O SER A 21 0.417 1.834 -10.282 1.00 0.00 O ATOM 300 CB SER A 21 -2.416 2.296 -11.010 1.00 0.00 C ATOM 301 OG SER A 21 -2.468 3.084 -12.195 1.00 0.00 O ATOM 0 H SER A 21 -1.983 4.843 -10.893 1.00 0.00 H new ATOM 0 HA SER A 21 -1.827 2.609 -8.955 1.00 0.00 H new ATOM 0 HB2 SER A 21 -1.937 1.339 -11.218 1.00 0.00 H new ATOM 0 HB3 SER A 21 -3.426 2.078 -10.662 1.00 0.00 H new ATOM 0 HG SER A 21 -2.965 2.601 -12.888 1.00 0.00 H new ATOM 307 N LYS A 22 0.500 4.075 -10.340 1.00 0.00 N ATOM 308 CA LYS A 22 1.910 4.131 -10.583 1.00 0.00 C ATOM 309 C LYS A 22 2.585 4.702 -9.346 1.00 0.00 C ATOM 310 O LYS A 22 2.075 5.653 -8.749 1.00 0.00 O ATOM 311 CB LYS A 22 2.225 4.998 -11.819 1.00 0.00 C ATOM 312 CG LYS A 22 1.789 4.447 -13.196 1.00 0.00 C ATOM 313 CD LYS A 22 0.278 4.285 -13.356 1.00 0.00 C ATOM 314 CE LYS A 22 -0.164 4.179 -14.824 1.00 0.00 C ATOM 315 NZ LYS A 22 0.457 3.057 -15.567 1.00 0.00 N ATOM 0 H LYS A 22 0.049 4.988 -10.290 1.00 0.00 H new ATOM 0 HA LYS A 22 2.286 3.128 -10.786 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.753 5.970 -11.679 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.301 5.167 -11.848 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.156 5.115 -13.975 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.266 3.480 -13.355 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.045 3.392 -12.820 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -0.224 5.134 -12.892 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.248 4.067 -14.858 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.076 5.113 -15.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.188 3.114 -16.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.492 3.115 -15.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.127 2.154 -15.171 1.00 0.00 H new ATOM 329 N THR A 23 3.728 4.148 -8.985 1.00 0.00 N ATOM 330 CA THR A 23 4.395 4.472 -7.734 1.00 0.00 C ATOM 331 C THR A 23 5.158 5.797 -7.827 1.00 0.00 C ATOM 332 O THR A 23 5.033 6.531 -8.816 1.00 0.00 O ATOM 333 CB THR A 23 5.382 3.344 -7.377 1.00 0.00 C ATOM 334 OG1 THR A 23 6.327 3.178 -8.458 1.00 0.00 O ATOM 335 CG2 THR A 23 4.641 2.028 -7.138 1.00 0.00 C ATOM 0 H THR A 23 4.222 3.459 -9.551 1.00 0.00 H new ATOM 0 HA THR A 23 3.633 4.573 -6.961 1.00 0.00 H new ATOM 0 HB THR A 23 5.907 3.615 -6.461 1.00 0.00 H new ATOM 0 HG1 THR A 23 7.187 2.876 -8.097 1.00 0.00 H new ATOM 0 HG21 THR A 23 5.359 1.247 -6.888 1.00 0.00 H new ATOM 0 HG22 THR A 23 3.937 2.151 -6.315 1.00 0.00 H new ATOM 0 HG23 THR A 23 4.099 1.747 -8.041 1.00 0.00 H new ATOM 343 N MET A 24 5.961 6.097 -6.807 1.00 0.00 N ATOM 344 CA MET A 24 6.808 7.275 -6.802 1.00 0.00 C ATOM 345 C MET A 24 7.925 7.139 -7.844 1.00 0.00 C ATOM 346 O MET A 24 8.566 8.123 -8.212 1.00 0.00 O ATOM 347 CB MET A 24 7.399 7.513 -5.403 1.00 0.00 C ATOM 348 CG MET A 24 8.342 6.447 -4.906 1.00 0.00 C ATOM 349 SD MET A 24 8.949 6.785 -3.243 1.00 0.00 S ATOM 350 CE MET A 24 10.041 5.382 -2.995 1.00 0.00 C ATOM 0 H MET A 24 6.038 5.527 -5.965 1.00 0.00 H new ATOM 0 HA MET A 24 6.196 8.138 -7.065 1.00 0.00 H new ATOM 0 HB2 MET A 24 7.927 8.467 -5.408 1.00 0.00 H new ATOM 0 HB3 MET A 24 6.578 7.607 -4.692 1.00 0.00 H new ATOM 0 HG2 MET A 24 7.833 5.483 -4.915 1.00 0.00 H new ATOM 0 HG3 MET A 24 9.188 6.367 -5.589 1.00 0.00 H new ATOM 0 HE1 MET A 24 10.496 5.446 -2.007 1.00 0.00 H new ATOM 0 HE2 MET A 24 9.469 4.457 -3.072 1.00 0.00 H new ATOM 0 HE3 MET A 24 10.822 5.390 -3.755 1.00 0.00 H new ATOM 360 N SER A 25 8.167 5.910 -8.279 1.00 0.00 N ATOM 361 CA SER A 25 9.107 5.625 -9.312 1.00 0.00 C ATOM 362 C SER A 25 8.371 5.470 -10.644 1.00 0.00 C ATOM 363 O SER A 25 8.973 5.276 -11.703 1.00 0.00 O ATOM 364 CB SER A 25 9.834 4.365 -8.967 1.00 0.00 C ATOM 365 OG SER A 25 10.419 4.462 -7.670 1.00 0.00 O ATOM 0 H SER A 25 7.700 5.083 -7.908 1.00 0.00 H new ATOM 0 HA SER A 25 9.824 6.441 -9.405 1.00 0.00 H new ATOM 0 HB2 SER A 25 9.145 3.521 -8.999 1.00 0.00 H new ATOM 0 HB3 SER A 25 10.610 4.172 -9.708 1.00 0.00 H new ATOM 0 HG SER A 25 10.690 3.571 -7.366 1.00 0.00 H new ATOM 371 N GLY A 26 7.057 5.555 -10.571 1.00 0.00 N ATOM 372 CA GLY A 26 6.218 5.454 -11.729 1.00 0.00 C ATOM 373 C GLY A 26 6.028 4.048 -12.200 1.00 0.00 C ATOM 374 O GLY A 26 5.648 3.823 -13.335 1.00 0.00 O ATOM 0 H GLY A 26 6.548 5.697 -9.699 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.244 5.889 -11.503 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.651 6.045 -12.536 1.00 0.00 H new ATOM 378 N LEU A 27 6.283 3.107 -11.340 1.00 0.00 N ATOM 379 CA LEU A 27 6.099 1.727 -11.667 1.00 0.00 C ATOM 380 C LEU A 27 4.676 1.372 -11.418 1.00 0.00 C ATOM 381 O LEU A 27 3.996 2.065 -10.698 1.00 0.00 O ATOM 382 CB LEU A 27 6.982 0.859 -10.810 1.00 0.00 C ATOM 383 CG LEU A 27 8.495 0.975 -11.046 1.00 0.00 C ATOM 384 CD1 LEU A 27 9.267 0.126 -10.049 1.00 0.00 C ATOM 385 CD2 LEU A 27 8.834 0.544 -12.455 1.00 0.00 C ATOM 0 H LEU A 27 6.624 3.276 -10.394 1.00 0.00 H new ATOM 0 HA LEU A 27 6.361 1.565 -12.713 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.781 1.095 -9.765 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.692 -0.180 -10.964 1.00 0.00 H new ATOM 0 HG LEU A 27 8.782 2.017 -10.907 1.00 0.00 H new ATOM 0 HD11 LEU A 27 10.336 0.225 -10.237 1.00 0.00 H new ATOM 0 HD12 LEU A 27 9.044 0.461 -9.036 1.00 0.00 H new ATOM 0 HD13 LEU A 27 8.975 -0.919 -10.158 1.00 0.00 H new ATOM 0 HD21 LEU A 27 9.909 0.630 -12.613 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.527 -0.491 -12.603 1.00 0.00 H new ATOM 0 HD23 LEU A 27 8.311 1.183 -13.167 1.00 0.00 H new ATOM 397 N GLU A 28 4.226 0.321 -11.986 1.00 0.00 N ATOM 398 CA GLU A 28 2.874 -0.053 -11.793 1.00 0.00 C ATOM 399 C GLU A 28 2.689 -0.913 -10.604 1.00 0.00 C ATOM 400 O GLU A 28 3.516 -1.798 -10.276 1.00 0.00 O ATOM 401 CB GLU A 28 2.227 -0.670 -13.004 1.00 0.00 C ATOM 402 CG GLU A 28 2.071 0.294 -14.131 1.00 0.00 C ATOM 403 CD GLU A 28 1.132 -0.208 -15.176 1.00 0.00 C ATOM 404 OE1 GLU A 28 1.474 -1.140 -15.915 1.00 0.00 O ATOM 405 OE2 GLU A 28 0.000 0.341 -15.277 1.00 0.00 O ATOM 0 H GLU A 28 4.769 -0.297 -12.588 1.00 0.00 H new ATOM 0 HA GLU A 28 2.356 0.889 -11.616 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.825 -1.518 -13.338 1.00 0.00 H new ATOM 0 HB3 GLU A 28 1.247 -1.060 -12.728 1.00 0.00 H new ATOM 0 HG2 GLU A 28 1.707 1.246 -13.745 1.00 0.00 H new ATOM 0 HG3 GLU A 28 3.045 0.484 -14.581 1.00 0.00 H new ATOM 412 N CYS A 29 1.638 -0.634 -9.946 1.00 0.00 N ATOM 413 CA CYS A 29 1.250 -1.372 -8.823 1.00 0.00 C ATOM 414 C CYS A 29 0.590 -2.654 -9.237 1.00 0.00 C ATOM 415 O CYS A 29 -0.012 -2.769 -10.334 1.00 0.00 O ATOM 416 CB CYS A 29 0.339 -0.558 -7.922 1.00 0.00 C ATOM 417 SG CYS A 29 -0.326 -1.454 -6.478 1.00 0.00 S ATOM 0 H CYS A 29 1.009 0.134 -10.181 1.00 0.00 H new ATOM 0 HA CYS A 29 2.146 -1.618 -8.253 1.00 0.00 H new ATOM 0 HB2 CYS A 29 0.889 0.313 -7.567 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -0.496 -0.187 -8.516 1.00 0.00 H new ATOM 422 N GLN A 30 0.752 -3.597 -8.394 1.00 0.00 N ATOM 423 CA GLN A 30 0.174 -4.883 -8.497 1.00 0.00 C ATOM 424 C GLN A 30 -1.177 -4.815 -7.817 1.00 0.00 C ATOM 425 O GLN A 30 -1.280 -4.282 -6.720 1.00 0.00 O ATOM 426 CB GLN A 30 1.063 -5.890 -7.776 1.00 0.00 C ATOM 427 CG GLN A 30 0.443 -7.263 -7.637 1.00 0.00 C ATOM 428 CD GLN A 30 1.209 -8.161 -6.707 1.00 0.00 C ATOM 429 OE1 GLN A 30 2.434 -8.074 -6.579 1.00 0.00 O ATOM 430 NE2 GLN A 30 0.500 -9.004 -6.027 1.00 0.00 N ATOM 0 H GLN A 30 1.328 -3.488 -7.559 1.00 0.00 H new ATOM 0 HA GLN A 30 0.070 -5.191 -9.538 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.006 -5.980 -8.316 1.00 0.00 H new ATOM 0 HB3 GLN A 30 1.300 -5.506 -6.784 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -0.579 -7.159 -7.273 1.00 0.00 H new ATOM 0 HG3 GLN A 30 0.385 -7.731 -8.620 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -0.510 -9.046 -6.161 1.00 0.00 H new ATOM 0 HE22 GLN A 30 0.952 -9.627 -5.357 1.00 0.00 H new ATOM 439 N ALA A 31 -2.180 -5.353 -8.452 1.00 0.00 N ATOM 440 CA ALA A 31 -3.520 -5.319 -7.935 1.00 0.00 C ATOM 441 C ALA A 31 -3.600 -5.953 -6.555 1.00 0.00 C ATOM 442 O ALA A 31 -3.034 -7.024 -6.316 1.00 0.00 O ATOM 443 CB ALA A 31 -4.460 -6.036 -8.894 1.00 0.00 C ATOM 0 H ALA A 31 -2.091 -5.831 -9.349 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.821 -4.276 -7.841 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.475 -6.008 -8.498 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.436 -5.542 -9.865 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.143 -7.073 -9.007 1.00 0.00 H new ATOM 449 N TRP A 32 -4.305 -5.279 -5.650 1.00 0.00 N ATOM 450 CA TRP A 32 -4.519 -5.742 -4.282 1.00 0.00 C ATOM 451 C TRP A 32 -5.223 -7.101 -4.283 1.00 0.00 C ATOM 452 O TRP A 32 -5.073 -7.909 -3.372 1.00 0.00 O ATOM 453 CB TRP A 32 -5.380 -4.733 -3.520 1.00 0.00 C ATOM 454 CG TRP A 32 -4.782 -3.365 -3.386 1.00 0.00 C ATOM 455 CD1 TRP A 32 -5.117 -2.252 -4.097 1.00 0.00 C ATOM 456 CD2 TRP A 32 -3.748 -2.959 -2.480 1.00 0.00 C ATOM 457 NE1 TRP A 32 -4.367 -1.187 -3.678 1.00 0.00 N ATOM 458 CE2 TRP A 32 -3.514 -1.591 -2.703 1.00 0.00 C ATOM 459 CE3 TRP A 32 -3.001 -3.615 -1.508 1.00 0.00 C ATOM 460 CZ2 TRP A 32 -2.562 -0.869 -1.990 1.00 0.00 C ATOM 461 CZ3 TRP A 32 -2.060 -2.897 -0.804 1.00 0.00 C ATOM 462 CH2 TRP A 32 -1.848 -1.537 -1.050 1.00 0.00 C ATOM 0 H TRP A 32 -4.750 -4.383 -5.849 1.00 0.00 H new ATOM 0 HA TRP A 32 -3.549 -5.840 -3.795 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -6.342 -4.645 -4.024 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -5.578 -5.126 -2.523 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -5.864 -2.216 -4.876 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -4.438 -0.237 -4.042 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -3.155 -4.665 -1.309 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -2.398 0.182 -2.178 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -1.474 -3.395 -0.046 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -1.100 -1.007 -0.479 1.00 0.00 H new ATOM 473 N ASP A 33 -5.947 -7.334 -5.338 1.00 0.00 N ATOM 474 CA ASP A 33 -6.722 -8.545 -5.546 1.00 0.00 C ATOM 475 C ASP A 33 -5.825 -9.685 -6.063 1.00 0.00 C ATOM 476 O ASP A 33 -6.194 -10.864 -6.016 1.00 0.00 O ATOM 477 CB ASP A 33 -7.819 -8.220 -6.564 1.00 0.00 C ATOM 478 CG ASP A 33 -8.693 -9.391 -6.955 1.00 0.00 C ATOM 479 OD1 ASP A 33 -9.653 -9.699 -6.218 1.00 0.00 O ATOM 480 OD2 ASP A 33 -8.482 -9.961 -8.054 1.00 0.00 O ATOM 0 H ASP A 33 -6.024 -6.671 -6.109 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.160 -8.880 -4.606 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.453 -7.433 -6.155 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.352 -7.818 -7.463 1.00 0.00 H new ATOM 485 N SER A 34 -4.639 -9.335 -6.488 1.00 0.00 N ATOM 486 CA SER A 34 -3.730 -10.274 -7.081 1.00 0.00 C ATOM 487 C SER A 34 -2.638 -10.660 -6.089 1.00 0.00 C ATOM 488 O SER A 34 -2.142 -9.821 -5.323 1.00 0.00 O ATOM 489 CB SER A 34 -3.119 -9.646 -8.341 1.00 0.00 C ATOM 490 OG SER A 34 -2.241 -10.537 -9.022 1.00 0.00 O ATOM 0 H SER A 34 -4.277 -8.383 -6.431 1.00 0.00 H new ATOM 0 HA SER A 34 -4.269 -11.182 -7.353 1.00 0.00 H new ATOM 0 HB2 SER A 34 -3.919 -9.342 -9.016 1.00 0.00 H new ATOM 0 HB3 SER A 34 -2.574 -8.743 -8.066 1.00 0.00 H new ATOM 0 HG SER A 34 -1.325 -10.192 -8.976 1.00 0.00 H new ATOM 496 N GLN A 35 -2.264 -11.921 -6.118 1.00 0.00 N ATOM 497 CA GLN A 35 -1.222 -12.460 -5.262 1.00 0.00 C ATOM 498 C GLN A 35 0.007 -12.755 -6.112 1.00 0.00 C ATOM 499 O GLN A 35 0.875 -13.532 -5.732 1.00 0.00 O ATOM 500 CB GLN A 35 -1.716 -13.755 -4.601 1.00 0.00 C ATOM 501 CG GLN A 35 -2.930 -13.572 -3.712 1.00 0.00 C ATOM 502 CD GLN A 35 -2.611 -12.823 -2.442 1.00 0.00 C ATOM 503 OE1 GLN A 35 -2.650 -11.601 -2.395 1.00 0.00 O ATOM 504 NE2 GLN A 35 -2.312 -13.549 -1.399 1.00 0.00 N ATOM 0 H GLN A 35 -2.679 -12.612 -6.744 1.00 0.00 H new ATOM 0 HA GLN A 35 -0.970 -11.738 -4.485 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -1.955 -14.479 -5.380 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -0.906 -14.180 -4.008 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -3.701 -13.034 -4.263 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -3.342 -14.549 -3.460 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -2.289 -14.566 -1.475 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -2.101 -13.099 -0.508 1.00 0.00 H new ATOM 513 N SER A 36 0.068 -12.150 -7.272 1.00 0.00 N ATOM 514 CA SER A 36 1.167 -12.351 -8.173 1.00 0.00 C ATOM 515 C SER A 36 1.568 -11.030 -8.830 1.00 0.00 C ATOM 516 O SER A 36 0.720 -10.330 -9.408 1.00 0.00 O ATOM 517 CB SER A 36 0.785 -13.396 -9.218 1.00 0.00 C ATOM 518 OG SER A 36 0.379 -14.605 -8.573 1.00 0.00 O ATOM 0 H SER A 36 -0.644 -11.505 -7.615 1.00 0.00 H new ATOM 0 HA SER A 36 2.030 -12.717 -7.616 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.024 -13.018 -9.844 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.632 -13.591 -9.876 1.00 0.00 H new ATOM 0 HG SER A 36 0.134 -15.270 -9.250 1.00 0.00 H new ATOM 524 N PRO A 37 2.846 -10.642 -8.716 1.00 0.00 N ATOM 525 CA PRO A 37 3.935 -11.583 -8.340 1.00 0.00 C ATOM 526 C PRO A 37 4.061 -11.739 -6.816 1.00 0.00 C ATOM 527 O PRO A 37 4.380 -12.812 -6.304 1.00 0.00 O ATOM 528 CB PRO A 37 5.181 -10.872 -8.889 1.00 0.00 C ATOM 529 CG PRO A 37 4.804 -9.445 -8.821 1.00 0.00 C ATOM 530 CD PRO A 37 3.406 -9.418 -9.313 1.00 0.00 C ATOM 0 HA PRO A 37 3.772 -12.589 -8.726 1.00 0.00 H new ATOM 0 HB2 PRO A 37 6.065 -11.085 -8.288 1.00 0.00 H new ATOM 0 HB3 PRO A 37 5.406 -11.182 -9.909 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.876 -9.061 -7.803 1.00 0.00 H new ATOM 0 HG3 PRO A 37 5.457 -8.830 -9.440 1.00 0.00 H new ATOM 0 HD2 PRO A 37 2.875 -8.524 -8.984 1.00 0.00 H new ATOM 0 HD3 PRO A 37 3.356 -9.436 -10.402 1.00 0.00 H new ATOM 538 N HIS A 38 3.771 -10.677 -6.110 1.00 0.00 N ATOM 539 CA HIS A 38 3.923 -10.652 -4.681 1.00 0.00 C ATOM 540 C HIS A 38 2.665 -11.102 -3.968 1.00 0.00 C ATOM 541 O HIS A 38 1.601 -10.504 -4.127 1.00 0.00 O ATOM 542 CB HIS A 38 4.345 -9.260 -4.224 1.00 0.00 C ATOM 543 CG HIS A 38 5.701 -8.876 -4.707 1.00 0.00 C ATOM 544 ND1 HIS A 38 6.912 -9.386 -4.404 1.00 0.00 N flip ATOM 545 CD2 HIS A 38 5.930 -7.883 -5.636 1.00 0.00 C flip ATOM 546 CE1 HIS A 38 7.829 -8.714 -5.146 1.00 0.00 C flip ATOM 547 NE2 HIS A 38 7.214 -7.819 -5.877 1.00 0.00 N flip ATOM 0 H HIS A 38 3.423 -9.806 -6.511 1.00 0.00 H new ATOM 0 HA HIS A 38 4.706 -11.362 -4.415 1.00 0.00 H new ATOM 0 HB2 HIS A 38 3.618 -8.530 -4.581 1.00 0.00 H new ATOM 0 HB3 HIS A 38 4.328 -9.220 -3.135 1.00 0.00 H new ATOM 0 HD2 HIS A 38 5.173 -7.260 -6.090 1.00 0.00 H new ATOM 0 HE1 HIS A 38 8.895 -8.890 -5.135 1.00 0.00 H new ATOM 0 HE2 HIS A 38 7.663 -7.176 -6.529 1.00 0.00 H new ATOM 556 N ALA A 39 2.791 -12.123 -3.169 1.00 0.00 N ATOM 557 CA ALA A 39 1.666 -12.665 -2.446 1.00 0.00 C ATOM 558 C ALA A 39 1.516 -11.884 -1.168 1.00 0.00 C ATOM 559 O ALA A 39 2.509 -11.604 -0.488 1.00 0.00 O ATOM 560 CB ALA A 39 1.869 -14.146 -2.161 1.00 0.00 C ATOM 0 H ALA A 39 3.673 -12.606 -2.998 1.00 0.00 H new ATOM 0 HA ALA A 39 0.758 -12.577 -3.043 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.008 -14.533 -1.615 1.00 0.00 H new ATOM 0 HB2 ALA A 39 1.975 -14.686 -3.102 1.00 0.00 H new ATOM 0 HB3 ALA A 39 2.769 -14.281 -1.562 1.00 0.00 H new ATOM 566 N HIS A 40 0.316 -11.508 -0.831 1.00 0.00 N ATOM 567 CA HIS A 40 0.140 -10.649 0.329 1.00 0.00 C ATOM 568 C HIS A 40 -1.130 -10.953 1.095 1.00 0.00 C ATOM 569 O HIS A 40 -1.947 -11.733 0.652 1.00 0.00 O ATOM 570 CB HIS A 40 0.176 -9.161 -0.090 1.00 0.00 C ATOM 571 CG HIS A 40 -0.885 -8.729 -1.086 1.00 0.00 C ATOM 572 ND1 HIS A 40 -0.613 -7.931 -2.161 1.00 0.00 N ATOM 573 CD2 HIS A 40 -2.227 -8.909 -1.102 1.00 0.00 C ATOM 574 CE1 HIS A 40 -1.733 -7.641 -2.768 1.00 0.00 C ATOM 575 NE2 HIS A 40 -2.710 -8.224 -2.149 1.00 0.00 N ATOM 0 H HIS A 40 -0.541 -11.768 -1.320 1.00 0.00 H new ATOM 0 HA HIS A 40 0.972 -10.854 1.003 1.00 0.00 H new ATOM 0 HB2 HIS A 40 0.077 -8.548 0.806 1.00 0.00 H new ATOM 0 HB3 HIS A 40 1.156 -8.947 -0.516 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -2.802 -9.496 -0.401 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -1.829 -7.016 -3.644 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -3.693 -8.171 -2.416 1.00 0.00 H new ATOM 584 N GLY A 41 -1.296 -10.286 2.212 1.00 0.00 N ATOM 585 CA GLY A 41 -2.472 -10.428 3.004 1.00 0.00 C ATOM 586 C GLY A 41 -3.358 -9.204 2.910 1.00 0.00 C ATOM 587 O GLY A 41 -4.349 -9.085 3.630 1.00 0.00 O ATOM 0 H GLY A 41 -0.612 -9.630 2.589 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.028 -11.306 2.677 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.193 -10.597 4.044 1.00 0.00 H new ATOM 591 N TYR A 42 -3.031 -8.292 1.986 1.00 0.00 N ATOM 592 CA TYR A 42 -3.809 -7.089 1.812 1.00 0.00 C ATOM 593 C TYR A 42 -4.904 -7.388 0.817 1.00 0.00 C ATOM 594 O TYR A 42 -4.819 -7.025 -0.353 1.00 0.00 O ATOM 595 CB TYR A 42 -2.952 -5.912 1.309 1.00 0.00 C ATOM 596 CG TYR A 42 -1.888 -5.374 2.261 1.00 0.00 C ATOM 597 CD1 TYR A 42 -0.676 -6.028 2.437 1.00 0.00 C ATOM 598 CD2 TYR A 42 -2.084 -4.180 2.941 1.00 0.00 C ATOM 599 CE1 TYR A 42 0.306 -5.510 3.263 1.00 0.00 C ATOM 600 CE2 TYR A 42 -1.101 -3.652 3.759 1.00 0.00 C ATOM 601 CZ TYR A 42 0.090 -4.319 3.914 1.00 0.00 C ATOM 602 OH TYR A 42 1.081 -3.787 4.714 1.00 0.00 O ATOM 0 H TYR A 42 -2.233 -8.376 1.356 1.00 0.00 H new ATOM 0 HA TYR A 42 -4.221 -6.791 2.776 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -2.457 -6.222 0.388 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -3.621 -5.092 1.050 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -0.496 -6.959 1.919 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -3.020 -3.654 2.830 1.00 0.00 H new ATOM 0 HE1 TYR A 42 1.238 -6.039 3.396 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -1.270 -2.718 4.274 1.00 0.00 H new ATOM 0 HH TYR A 42 0.869 -2.852 4.919 1.00 0.00 H new ATOM 612 N ILE A 43 -5.834 -8.171 1.257 1.00 0.00 N ATOM 613 CA ILE A 43 -6.940 -8.589 0.438 1.00 0.00 C ATOM 614 C ILE A 43 -8.066 -7.532 0.529 1.00 0.00 C ATOM 615 O ILE A 43 -8.465 -7.148 1.630 1.00 0.00 O ATOM 616 CB ILE A 43 -7.450 -9.975 0.920 1.00 0.00 C ATOM 617 CG1 ILE A 43 -6.267 -10.959 1.082 1.00 0.00 C ATOM 618 CG2 ILE A 43 -8.478 -10.544 -0.042 1.00 0.00 C ATOM 619 CD1 ILE A 43 -5.507 -11.276 -0.200 1.00 0.00 C ATOM 0 H ILE A 43 -5.853 -8.546 2.205 1.00 0.00 H new ATOM 0 HA ILE A 43 -6.622 -8.679 -0.601 1.00 0.00 H new ATOM 0 HB ILE A 43 -7.930 -9.838 1.889 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.567 -10.544 1.807 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -6.645 -11.891 1.501 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.817 -11.514 0.320 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -9.328 -9.865 -0.110 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -8.028 -10.662 -1.028 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.698 -11.973 0.019 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -6.187 -11.725 -0.924 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.091 -10.357 -0.613 1.00 0.00 H new ATOM 631 N PRO A 44 -8.594 -7.052 -0.615 1.00 0.00 N ATOM 632 CA PRO A 44 -9.608 -5.982 -0.634 1.00 0.00 C ATOM 633 C PRO A 44 -10.941 -6.366 0.015 1.00 0.00 C ATOM 634 O PRO A 44 -11.722 -5.498 0.389 1.00 0.00 O ATOM 635 CB PRO A 44 -9.832 -5.694 -2.126 1.00 0.00 C ATOM 636 CG PRO A 44 -8.705 -6.353 -2.844 1.00 0.00 C ATOM 637 CD PRO A 44 -8.241 -7.487 -1.978 1.00 0.00 C ATOM 0 HA PRO A 44 -9.253 -5.129 -0.056 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -10.792 -6.089 -2.460 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -9.844 -4.621 -2.319 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -9.029 -6.719 -3.818 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -7.895 -5.646 -3.022 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -8.737 -8.421 -2.241 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -7.169 -7.656 -2.080 1.00 0.00 H new ATOM 645 N SER A 45 -11.189 -7.642 0.176 1.00 0.00 N ATOM 646 CA SER A 45 -12.448 -8.091 0.707 1.00 0.00 C ATOM 647 C SER A 45 -12.472 -7.968 2.227 1.00 0.00 C ATOM 648 O SER A 45 -13.517 -7.708 2.832 1.00 0.00 O ATOM 649 CB SER A 45 -12.682 -9.533 0.270 1.00 0.00 C ATOM 650 OG SER A 45 -11.562 -10.340 0.598 1.00 0.00 O ATOM 0 H SER A 45 -10.533 -8.388 -0.054 1.00 0.00 H new ATOM 0 HA SER A 45 -13.250 -7.463 0.320 1.00 0.00 H new ATOM 0 HB2 SER A 45 -13.575 -9.926 0.756 1.00 0.00 H new ATOM 0 HB3 SER A 45 -12.861 -9.569 -0.805 1.00 0.00 H new ATOM 0 HG SER A 45 -11.729 -11.263 0.313 1.00 0.00 H new ATOM 656 N LYS A 46 -11.309 -8.121 2.832 1.00 0.00 N ATOM 657 CA LYS A 46 -11.188 -8.101 4.247 1.00 0.00 C ATOM 658 C LYS A 46 -10.864 -6.706 4.750 1.00 0.00 C ATOM 659 O LYS A 46 -10.970 -6.423 5.942 1.00 0.00 O ATOM 660 CB LYS A 46 -10.133 -9.096 4.676 1.00 0.00 C ATOM 661 CG LYS A 46 -8.720 -8.748 4.249 1.00 0.00 C ATOM 662 CD LYS A 46 -7.710 -9.781 4.718 1.00 0.00 C ATOM 663 CE LYS A 46 -7.590 -9.788 6.231 1.00 0.00 C ATOM 664 NZ LYS A 46 -6.608 -10.771 6.697 1.00 0.00 N ATOM 0 H LYS A 46 -10.428 -8.262 2.338 1.00 0.00 H new ATOM 0 HA LYS A 46 -12.143 -8.387 4.688 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -10.158 -9.185 5.762 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -10.390 -10.074 4.270 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.679 -8.669 3.163 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -8.451 -7.771 4.650 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -8.010 -10.770 4.370 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -6.737 -9.569 4.275 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -7.302 -8.795 6.577 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -8.562 -10.009 6.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -6.629 -10.817 7.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -6.839 -11.706 6.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -5.658 -10.489 6.382 1.00 0.00 H new ATOM 678 N PHE A 47 -10.446 -5.846 3.848 1.00 0.00 N ATOM 679 CA PHE A 47 -10.173 -4.462 4.195 1.00 0.00 C ATOM 680 C PHE A 47 -10.999 -3.523 3.302 1.00 0.00 C ATOM 681 O PHE A 47 -10.455 -2.858 2.411 1.00 0.00 O ATOM 682 CB PHE A 47 -8.668 -4.123 4.084 1.00 0.00 C ATOM 683 CG PHE A 47 -7.759 -4.994 4.916 1.00 0.00 C ATOM 684 CD1 PHE A 47 -7.908 -5.060 6.291 1.00 0.00 C ATOM 685 CD2 PHE A 47 -6.766 -5.755 4.318 1.00 0.00 C ATOM 686 CE1 PHE A 47 -7.083 -5.865 7.053 1.00 0.00 C ATOM 687 CE2 PHE A 47 -5.938 -6.561 5.078 1.00 0.00 C ATOM 688 CZ PHE A 47 -6.099 -6.615 6.447 1.00 0.00 C ATOM 0 H PHE A 47 -10.287 -6.077 2.867 1.00 0.00 H new ATOM 0 HA PHE A 47 -10.462 -4.319 5.236 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -8.368 -4.203 3.039 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -8.522 -3.084 4.379 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -8.678 -4.476 6.773 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -6.638 -5.718 3.246 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -7.210 -5.906 8.125 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -5.167 -7.147 4.601 1.00 0.00 H new ATOM 0 HZ PHE A 47 -5.455 -7.244 7.043 1.00 0.00 H new ATOM 698 N PRO A 48 -12.331 -3.455 3.513 1.00 0.00 N ATOM 699 CA PRO A 48 -13.212 -2.665 2.652 1.00 0.00 C ATOM 700 C PRO A 48 -13.063 -1.160 2.893 1.00 0.00 C ATOM 701 O PRO A 48 -12.900 -0.380 1.953 1.00 0.00 O ATOM 702 CB PRO A 48 -14.611 -3.152 3.045 1.00 0.00 C ATOM 703 CG PRO A 48 -14.472 -3.573 4.468 1.00 0.00 C ATOM 704 CD PRO A 48 -13.089 -4.142 4.596 1.00 0.00 C ATOM 0 HA PRO A 48 -12.987 -2.797 1.594 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -15.352 -2.360 2.936 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -14.934 -3.981 2.415 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -14.610 -2.727 5.141 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -15.226 -4.315 4.731 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -12.660 -3.939 5.577 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -13.086 -5.224 4.464 1.00 0.00 H new ATOM 712 N ASN A 49 -13.016 -0.790 4.163 1.00 0.00 N ATOM 713 CA ASN A 49 -12.933 0.602 4.618 1.00 0.00 C ATOM 714 C ASN A 49 -11.551 1.198 4.373 1.00 0.00 C ATOM 715 O ASN A 49 -11.306 2.367 4.647 1.00 0.00 O ATOM 716 CB ASN A 49 -13.285 0.669 6.112 1.00 0.00 C ATOM 717 CG ASN A 49 -12.297 -0.086 7.005 1.00 0.00 C ATOM 718 OD1 ASN A 49 -12.404 -1.302 7.159 1.00 0.00 O ATOM 719 ND2 ASN A 49 -11.381 0.615 7.645 1.00 0.00 N ATOM 0 H ASN A 49 -13.035 -1.461 4.931 1.00 0.00 H new ATOM 0 HA ASN A 49 -13.645 1.193 4.042 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -13.319 1.713 6.423 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -14.284 0.259 6.261 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -10.739 0.150 8.287 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -11.315 1.622 7.498 1.00 0.00 H new ATOM 726 N LYS A 50 -10.655 0.395 3.866 1.00 0.00 N ATOM 727 CA LYS A 50 -9.327 0.834 3.570 1.00 0.00 C ATOM 728 C LYS A 50 -9.211 1.169 2.079 1.00 0.00 C ATOM 729 O LYS A 50 -8.141 1.522 1.587 1.00 0.00 O ATOM 730 CB LYS A 50 -8.353 -0.241 3.982 1.00 0.00 C ATOM 731 CG LYS A 50 -8.333 -0.538 5.481 1.00 0.00 C ATOM 732 CD LYS A 50 -7.778 0.632 6.287 1.00 0.00 C ATOM 733 CE LYS A 50 -7.762 0.345 7.788 1.00 0.00 C ATOM 734 NZ LYS A 50 -6.829 1.245 8.495 1.00 0.00 N ATOM 0 H LYS A 50 -10.831 -0.586 3.647 1.00 0.00 H new ATOM 0 HA LYS A 50 -9.092 1.741 4.127 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -8.596 -1.158 3.446 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.351 0.055 3.670 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -9.344 -0.764 5.819 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.728 -1.426 5.667 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -6.765 0.854 5.951 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.380 1.520 6.095 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -8.766 0.466 8.195 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -7.471 -0.691 7.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -6.775 0.972 9.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -5.885 1.173 8.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -7.169 2.225 8.421 1.00 0.00 H new ATOM 748 N ASN A 51 -10.342 1.008 1.387 1.00 0.00 N ATOM 749 CA ASN A 51 -10.548 1.385 -0.023 1.00 0.00 C ATOM 750 C ASN A 51 -9.558 0.688 -0.982 1.00 0.00 C ATOM 751 O ASN A 51 -9.108 1.282 -1.960 1.00 0.00 O ATOM 752 CB ASN A 51 -10.456 2.921 -0.191 1.00 0.00 C ATOM 753 CG ASN A 51 -11.179 3.406 -1.443 1.00 0.00 C ATOM 754 OD1 ASN A 51 -12.216 2.877 -1.813 1.00 0.00 O ATOM 755 ND2 ASN A 51 -10.633 4.368 -2.117 1.00 0.00 N ATOM 0 H ASN A 51 -11.175 0.595 1.806 1.00 0.00 H new ATOM 0 HA ASN A 51 -11.548 1.045 -0.293 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -10.884 3.407 0.686 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -9.408 3.218 -0.240 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -11.069 4.700 -2.977 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -9.767 4.794 -1.787 1.00 0.00 H new ATOM 762 N LEU A 52 -9.267 -0.577 -0.742 1.00 0.00 N ATOM 763 CA LEU A 52 -8.359 -1.333 -1.614 1.00 0.00 C ATOM 764 C LEU A 52 -8.991 -1.613 -2.968 1.00 0.00 C ATOM 765 O LEU A 52 -9.772 -2.551 -3.114 1.00 0.00 O ATOM 766 CB LEU A 52 -7.912 -2.658 -0.972 1.00 0.00 C ATOM 767 CG LEU A 52 -6.700 -2.626 -0.032 1.00 0.00 C ATOM 768 CD1 LEU A 52 -6.916 -1.702 1.127 1.00 0.00 C ATOM 769 CD2 LEU A 52 -6.381 -4.021 0.465 1.00 0.00 C ATOM 0 H LEU A 52 -9.640 -1.110 0.044 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.479 -0.705 -1.756 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.757 -3.062 -0.415 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -7.694 -3.362 -1.775 1.00 0.00 H new ATOM 0 HG LEU A 52 -5.854 -2.246 -0.604 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -6.034 -1.709 1.767 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -7.089 -0.691 0.759 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -7.783 -2.033 1.699 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.519 -3.982 1.131 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -7.239 -4.420 1.006 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -6.155 -4.667 -0.384 1.00 0.00 H new ATOM 781 N LYS A 53 -8.703 -0.773 -3.941 1.00 0.00 N ATOM 782 CA LYS A 53 -9.228 -0.964 -5.277 1.00 0.00 C ATOM 783 C LYS A 53 -8.144 -1.187 -6.256 1.00 0.00 C ATOM 784 O LYS A 53 -7.066 -0.601 -6.158 1.00 0.00 O ATOM 785 CB LYS A 53 -10.115 0.172 -5.794 1.00 0.00 C ATOM 786 CG LYS A 53 -11.552 0.235 -5.282 1.00 0.00 C ATOM 787 CD LYS A 53 -11.667 0.359 -3.792 1.00 0.00 C ATOM 788 CE LYS A 53 -13.115 0.419 -3.362 1.00 0.00 C ATOM 789 NZ LYS A 53 -13.847 -0.830 -3.642 1.00 0.00 N ATOM 0 H LYS A 53 -8.108 0.048 -3.832 1.00 0.00 H new ATOM 0 HA LYS A 53 -9.860 -1.847 -5.182 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.629 1.116 -5.548 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -10.148 0.104 -6.881 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -12.055 1.084 -5.746 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -12.080 -0.663 -5.603 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -11.177 -0.490 -3.314 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -11.147 1.257 -3.457 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -13.163 0.631 -2.294 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -13.607 1.246 -3.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -14.757 -0.820 -3.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -14.019 -0.910 -4.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -13.283 -1.643 -3.321 1.00 0.00 H new ATOM 803 N LYS A 54 -8.513 -1.955 -7.237 1.00 0.00 N ATOM 804 CA LYS A 54 -7.695 -2.425 -8.337 1.00 0.00 C ATOM 805 C LYS A 54 -6.220 -2.606 -7.981 1.00 0.00 C ATOM 806 O LYS A 54 -5.858 -3.531 -7.259 1.00 0.00 O ATOM 807 CB LYS A 54 -7.904 -1.561 -9.582 1.00 0.00 C ATOM 808 CG LYS A 54 -9.374 -1.315 -9.881 1.00 0.00 C ATOM 809 CD LYS A 54 -9.621 -0.793 -11.278 1.00 0.00 C ATOM 810 CE LYS A 54 -9.635 -1.921 -12.308 1.00 0.00 C ATOM 811 NZ LYS A 54 -8.322 -2.571 -12.533 1.00 0.00 N ATOM 0 H LYS A 54 -9.470 -2.302 -7.302 1.00 0.00 H new ATOM 0 HA LYS A 54 -8.040 -3.432 -8.570 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.400 -0.604 -9.445 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -7.439 -2.047 -10.440 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -9.926 -2.245 -9.745 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -9.770 -0.601 -9.159 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -10.573 -0.263 -11.306 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.847 -0.071 -11.539 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -10.350 -2.679 -11.987 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -9.996 -1.524 -13.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -8.289 -2.964 -13.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -7.563 -1.869 -12.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -8.191 -3.337 -11.842 1.00 0.00 H new ATOM 825 N ASN A 55 -5.414 -1.694 -8.438 1.00 0.00 N ATOM 826 CA ASN A 55 -3.993 -1.661 -8.186 1.00 0.00 C ATOM 827 C ASN A 55 -3.665 -0.223 -7.865 1.00 0.00 C ATOM 828 O ASN A 55 -2.585 0.285 -8.138 1.00 0.00 O ATOM 829 CB ASN A 55 -3.213 -2.111 -9.445 1.00 0.00 C ATOM 830 CG ASN A 55 -3.349 -1.154 -10.636 1.00 0.00 C ATOM 831 OD1 ASN A 55 -4.395 -0.512 -10.842 1.00 0.00 O ATOM 832 ND2 ASN A 55 -2.304 -1.030 -11.409 1.00 0.00 N ATOM 0 H ASN A 55 -5.735 -0.920 -9.020 1.00 0.00 H new ATOM 0 HA ASN A 55 -3.717 -2.332 -7.372 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -2.158 -2.211 -9.190 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -3.563 -3.099 -9.744 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -2.332 -0.394 -12.206 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -1.460 -1.569 -11.216 1.00 0.00 H new ATOM 839 N TYR A 56 -4.628 0.429 -7.291 1.00 0.00 N ATOM 840 CA TYR A 56 -4.516 1.812 -6.982 1.00 0.00 C ATOM 841 C TYR A 56 -3.796 2.004 -5.677 1.00 0.00 C ATOM 842 O TYR A 56 -4.067 1.289 -4.717 1.00 0.00 O ATOM 843 CB TYR A 56 -5.893 2.451 -6.934 1.00 0.00 C ATOM 844 CG TYR A 56 -6.637 2.509 -8.255 1.00 0.00 C ATOM 845 CD1 TYR A 56 -5.967 2.445 -9.475 1.00 0.00 C ATOM 846 CD2 TYR A 56 -8.016 2.665 -8.280 1.00 0.00 C ATOM 847 CE1 TYR A 56 -6.644 2.537 -10.668 1.00 0.00 C ATOM 848 CE2 TYR A 56 -8.700 2.750 -9.474 1.00 0.00 C ATOM 849 CZ TYR A 56 -8.007 2.687 -10.662 1.00 0.00 C ATOM 850 OH TYR A 56 -8.679 2.787 -11.850 1.00 0.00 O ATOM 0 H TYR A 56 -5.518 0.009 -7.024 1.00 0.00 H new ATOM 0 HA TYR A 56 -3.935 2.299 -7.765 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -6.504 1.901 -6.218 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -5.789 3.466 -6.551 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -4.894 2.321 -9.484 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -8.562 2.721 -7.350 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -6.106 2.491 -11.603 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -9.774 2.865 -9.477 1.00 0.00 H new ATOM 0 HH TYR A 56 -9.638 2.888 -11.676 1.00 0.00 H new ATOM 860 N CYS A 57 -2.906 2.977 -5.646 1.00 0.00 N ATOM 861 CA CYS A 57 -2.116 3.279 -4.474 1.00 0.00 C ATOM 862 C CYS A 57 -3.013 3.623 -3.327 1.00 0.00 C ATOM 863 O CYS A 57 -3.903 4.475 -3.450 1.00 0.00 O ATOM 864 CB CYS A 57 -1.152 4.424 -4.741 1.00 0.00 C ATOM 865 SG CYS A 57 0.126 4.065 -5.982 1.00 0.00 S ATOM 0 H CYS A 57 -2.711 3.584 -6.442 1.00 0.00 H new ATOM 0 HA CYS A 57 -1.531 2.394 -4.223 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -1.723 5.293 -5.068 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -0.664 4.696 -3.805 1.00 0.00 H new ATOM 870 N ARG A 58 -2.816 2.958 -2.238 1.00 0.00 N ATOM 871 CA ARG A 58 -3.640 3.129 -1.085 1.00 0.00 C ATOM 872 C ARG A 58 -2.769 3.206 0.132 1.00 0.00 C ATOM 873 O ARG A 58 -1.563 2.979 0.045 1.00 0.00 O ATOM 874 CB ARG A 58 -4.640 1.954 -0.957 1.00 0.00 C ATOM 875 CG ARG A 58 -5.698 1.879 -2.048 1.00 0.00 C ATOM 876 CD ARG A 58 -6.473 3.180 -2.143 1.00 0.00 C ATOM 877 NE ARG A 58 -7.559 3.120 -3.126 1.00 0.00 N ATOM 878 CZ ARG A 58 -7.640 3.878 -4.214 1.00 0.00 C ATOM 879 NH1 ARG A 58 -6.584 4.558 -4.630 1.00 0.00 N ATOM 880 NH2 ARG A 58 -8.771 3.925 -4.920 1.00 0.00 N ATOM 0 H ARG A 58 -2.070 2.272 -2.121 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.212 4.052 -1.182 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.079 1.020 -0.953 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.141 2.029 0.008 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -5.224 1.663 -3.005 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -6.383 1.058 -1.839 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -6.887 3.424 -1.165 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -5.790 3.986 -2.410 1.00 0.00 H new ATOM 0 HE ARG A 58 -8.308 2.447 -2.963 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -5.705 4.501 -4.115 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -6.649 5.139 -5.466 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -9.579 3.377 -4.625 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -8.827 4.509 -5.755 1.00 0.00 H new ATOM 894 N ASN A 59 -3.354 3.551 1.235 1.00 0.00 N ATOM 895 CA ASN A 59 -2.649 3.565 2.497 1.00 0.00 C ATOM 896 C ASN A 59 -3.543 2.940 3.552 1.00 0.00 C ATOM 897 O ASN A 59 -4.181 3.629 4.326 1.00 0.00 O ATOM 898 CB ASN A 59 -2.190 4.989 2.902 1.00 0.00 C ATOM 899 CG ASN A 59 -1.334 4.986 4.160 1.00 0.00 C ATOM 900 OD1 ASN A 59 -0.740 3.973 4.518 1.00 0.00 O ATOM 901 ND2 ASN A 59 -1.193 6.122 4.787 1.00 0.00 N ATOM 0 H ASN A 59 -4.333 3.832 1.296 1.00 0.00 H new ATOM 0 HA ASN A 59 -1.733 2.982 2.399 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -1.625 5.433 2.082 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -3.065 5.618 3.063 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -0.576 6.184 5.597 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -1.699 6.948 4.467 1.00 0.00 H new ATOM 908 N PRO A 60 -3.666 1.605 3.540 1.00 0.00 N ATOM 909 CA PRO A 60 -4.578 0.909 4.430 1.00 0.00 C ATOM 910 C PRO A 60 -4.004 0.707 5.811 1.00 0.00 C ATOM 911 O PRO A 60 -4.678 0.893 6.827 1.00 0.00 O ATOM 912 CB PRO A 60 -4.760 -0.443 3.755 1.00 0.00 C ATOM 913 CG PRO A 60 -3.498 -0.676 2.982 1.00 0.00 C ATOM 914 CD PRO A 60 -2.919 0.676 2.657 1.00 0.00 C ATOM 0 HA PRO A 60 -5.500 1.472 4.577 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -4.921 -1.231 4.491 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -5.629 -0.439 3.097 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -2.792 -1.266 3.566 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -3.703 -1.236 2.070 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -1.848 0.710 2.856 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -3.056 0.927 1.605 1.00 0.00 H new ATOM 922 N ASP A 61 -2.772 0.344 5.835 1.00 0.00 N ATOM 923 CA ASP A 61 -2.076 0.007 7.033 1.00 0.00 C ATOM 924 C ASP A 61 -1.615 1.216 7.783 1.00 0.00 C ATOM 925 O ASP A 61 -1.208 1.099 8.938 1.00 0.00 O ATOM 926 CB ASP A 61 -0.924 -0.936 6.739 1.00 0.00 C ATOM 927 CG ASP A 61 0.073 -0.426 5.725 1.00 0.00 C ATOM 928 OD1 ASP A 61 -0.160 0.632 5.100 1.00 0.00 O ATOM 929 OD2 ASP A 61 1.086 -1.113 5.525 1.00 0.00 O ATOM 0 H ASP A 61 -2.198 0.270 4.995 1.00 0.00 H new ATOM 0 HA ASP A 61 -2.783 -0.509 7.683 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -0.398 -1.145 7.671 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.330 -1.883 6.383 1.00 0.00 H new ATOM 934 N ARG A 62 -1.682 2.363 7.133 1.00 0.00 N ATOM 935 CA ARG A 62 -1.364 3.642 7.735 1.00 0.00 C ATOM 936 C ARG A 62 0.125 3.837 7.912 1.00 0.00 C ATOM 937 O ARG A 62 0.660 3.854 9.034 1.00 0.00 O ATOM 938 CB ARG A 62 -2.176 3.896 9.011 1.00 0.00 C ATOM 939 CG ARG A 62 -3.660 3.940 8.727 1.00 0.00 C ATOM 940 CD ARG A 62 -4.503 3.837 9.977 1.00 0.00 C ATOM 941 NE ARG A 62 -4.199 4.863 10.968 1.00 0.00 N ATOM 942 CZ ARG A 62 -5.072 5.751 11.431 1.00 0.00 C ATOM 943 NH1 ARG A 62 -6.202 5.998 10.762 1.00 0.00 N ATOM 944 NH2 ARG A 62 -4.765 6.457 12.508 1.00 0.00 N ATOM 0 H ARG A 62 -1.964 2.432 6.155 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.674 4.416 7.033 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -1.967 3.111 9.738 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -1.863 4.838 9.461 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -3.898 4.870 8.210 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -3.920 3.125 8.052 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -5.556 3.908 9.703 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -4.356 2.854 10.425 1.00 0.00 H new ATOM 0 HE ARG A 62 -3.247 4.902 11.332 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -6.398 5.504 9.891 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -6.869 6.681 11.122 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -3.867 6.316 12.972 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -5.426 7.142 12.874 1.00 0.00 H new ATOM 958 N ASP A 63 0.795 3.824 6.791 1.00 0.00 N ATOM 959 CA ASP A 63 2.204 4.127 6.685 1.00 0.00 C ATOM 960 C ASP A 63 2.312 5.681 6.645 1.00 0.00 C ATOM 961 O ASP A 63 1.351 6.383 7.017 1.00 0.00 O ATOM 962 CB ASP A 63 2.739 3.505 5.367 1.00 0.00 C ATOM 963 CG ASP A 63 4.239 3.249 5.351 1.00 0.00 C ATOM 964 OD1 ASP A 63 5.043 4.181 5.578 1.00 0.00 O ATOM 965 OD2 ASP A 63 4.640 2.101 5.106 1.00 0.00 O ATOM 0 H ASP A 63 0.364 3.595 5.895 1.00 0.00 H new ATOM 0 HA ASP A 63 2.785 3.726 7.515 1.00 0.00 H new ATOM 0 HB2 ASP A 63 2.221 2.563 5.189 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.488 4.168 4.539 1.00 0.00 H new ATOM 970 N LEU A 64 3.421 6.222 6.206 1.00 0.00 N ATOM 971 CA LEU A 64 3.592 7.685 6.164 1.00 0.00 C ATOM 972 C LEU A 64 2.754 8.334 5.065 1.00 0.00 C ATOM 973 O LEU A 64 2.280 9.475 5.213 1.00 0.00 O ATOM 974 CB LEU A 64 5.069 8.107 6.014 1.00 0.00 C ATOM 975 CG LEU A 64 5.993 7.966 7.246 1.00 0.00 C ATOM 976 CD1 LEU A 64 6.196 6.519 7.665 1.00 0.00 C ATOM 977 CD2 LEU A 64 7.326 8.632 6.975 1.00 0.00 C ATOM 0 H LEU A 64 4.224 5.690 5.871 1.00 0.00 H new ATOM 0 HA LEU A 64 3.235 8.045 7.129 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.503 7.522 5.203 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.088 9.151 5.700 1.00 0.00 H new ATOM 0 HG LEU A 64 5.498 8.467 8.078 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.853 6.481 8.534 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.233 6.075 7.918 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.648 5.962 6.844 1.00 0.00 H new ATOM 0 HD21 LEU A 64 7.969 8.527 7.849 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.801 8.159 6.116 1.00 0.00 H new ATOM 0 HD23 LEU A 64 7.168 9.690 6.766 1.00 0.00 H new ATOM 989 N ARG A 65 2.582 7.622 3.991 1.00 0.00 N ATOM 990 CA ARG A 65 1.826 8.067 2.849 1.00 0.00 C ATOM 991 C ARG A 65 1.459 6.838 2.056 1.00 0.00 C ATOM 992 O ARG A 65 2.026 5.774 2.327 1.00 0.00 O ATOM 993 CB ARG A 65 2.653 9.031 1.968 1.00 0.00 C ATOM 994 CG ARG A 65 3.987 8.471 1.501 1.00 0.00 C ATOM 995 CD ARG A 65 4.603 9.324 0.407 1.00 0.00 C ATOM 996 NE ARG A 65 4.724 10.740 0.784 1.00 0.00 N ATOM 997 CZ ARG A 65 4.965 11.732 -0.087 1.00 0.00 C ATOM 998 NH1 ARG A 65 5.266 11.440 -1.361 1.00 0.00 N ATOM 999 NH2 ARG A 65 4.949 13.001 0.322 1.00 0.00 N ATOM 0 H ARG A 65 2.974 6.687 3.878 1.00 0.00 H new ATOM 0 HA ARG A 65 0.940 8.610 3.178 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.061 9.302 1.094 1.00 0.00 H new ATOM 0 HB3 ARG A 65 2.834 9.949 2.527 1.00 0.00 H new ATOM 0 HG2 ARG A 65 4.673 8.412 2.346 1.00 0.00 H new ATOM 0 HG3 ARG A 65 3.846 7.454 1.134 1.00 0.00 H new ATOM 0 HD2 ARG A 65 5.590 8.933 0.161 1.00 0.00 H new ATOM 0 HD3 ARG A 65 3.995 9.244 -0.494 1.00 0.00 H new ATOM 0 HE ARG A 65 4.618 10.983 1.769 1.00 0.00 H new ATOM 0 HH11 ARG A 65 5.311 10.467 -1.664 1.00 0.00 H new ATOM 0 HH12 ARG A 65 5.450 12.191 -2.027 1.00 0.00 H new ATOM 0 HH21 ARG A 65 4.753 13.220 1.299 1.00 0.00 H new ATOM 0 HH22 ARG A 65 5.133 13.753 -0.342 1.00 0.00 H new ATOM 1013 N PRO A 66 0.505 6.937 1.096 1.00 0.00 N ATOM 1014 CA PRO A 66 0.133 5.815 0.244 1.00 0.00 C ATOM 1015 C PRO A 66 1.305 5.208 -0.486 1.00 0.00 C ATOM 1016 O PRO A 66 2.332 5.855 -0.758 1.00 0.00 O ATOM 1017 CB PRO A 66 -0.869 6.421 -0.730 1.00 0.00 C ATOM 1018 CG PRO A 66 -1.483 7.491 0.071 1.00 0.00 C ATOM 1019 CD PRO A 66 -0.331 8.116 0.793 1.00 0.00 C ATOM 0 HA PRO A 66 -0.272 4.987 0.826 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -0.382 6.811 -1.623 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -1.605 5.689 -1.063 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -1.998 8.215 -0.560 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.221 7.093 0.768 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.195 8.843 0.174 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.648 8.637 1.697 1.00 0.00 H new ATOM 1027 N TRP A 67 1.118 4.005 -0.842 1.00 0.00 N ATOM 1028 CA TRP A 67 2.111 3.179 -1.388 1.00 0.00 C ATOM 1029 C TRP A 67 1.384 2.118 -2.148 1.00 0.00 C ATOM 1030 O TRP A 67 0.136 2.141 -2.184 1.00 0.00 O ATOM 1031 CB TRP A 67 2.965 2.566 -0.239 1.00 0.00 C ATOM 1032 CG TRP A 67 2.153 1.829 0.799 1.00 0.00 C ATOM 1033 CD1 TRP A 67 1.610 2.346 1.946 1.00 0.00 C ATOM 1034 CD2 TRP A 67 1.789 0.447 0.777 1.00 0.00 C ATOM 1035 NE1 TRP A 67 0.927 1.370 2.616 1.00 0.00 N ATOM 1036 CE2 TRP A 67 1.019 0.202 1.919 1.00 0.00 C ATOM 1037 CE3 TRP A 67 2.033 -0.604 -0.105 1.00 0.00 C ATOM 1038 CZ2 TRP A 67 0.497 -1.047 2.200 1.00 0.00 C ATOM 1039 CZ3 TRP A 67 1.517 -1.838 0.176 1.00 0.00 C ATOM 1040 CH2 TRP A 67 0.753 -2.050 1.316 1.00 0.00 C ATOM 0 H TRP A 67 0.214 3.541 -0.756 1.00 0.00 H new ATOM 0 HA TRP A 67 2.794 3.723 -2.041 1.00 0.00 H new ATOM 0 HB2 TRP A 67 3.696 1.881 -0.668 1.00 0.00 H new ATOM 0 HB3 TRP A 67 3.524 3.363 0.250 1.00 0.00 H new ATOM 0 HD1 TRP A 67 1.707 3.371 2.272 1.00 0.00 H new ATOM 0 HE1 TRP A 67 0.428 1.495 3.497 1.00 0.00 H new ATOM 0 HE3 TRP A 67 2.621 -0.446 -0.997 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -0.092 -1.221 3.088 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 1.706 -2.660 -0.498 1.00 0.00 H new ATOM 0 HH2 TRP A 67 0.352 -3.035 1.506 1.00 0.00 H new ATOM 1051 N CYS A 68 2.089 1.216 -2.745 1.00 0.00 N ATOM 1052 CA CYS A 68 1.447 0.160 -3.439 1.00 0.00 C ATOM 1053 C CYS A 68 2.442 -0.956 -3.660 1.00 0.00 C ATOM 1054 O CYS A 68 3.664 -0.734 -3.553 1.00 0.00 O ATOM 1055 CB CYS A 68 0.886 0.671 -4.759 1.00 0.00 C ATOM 1056 SG CYS A 68 -0.744 -0.008 -5.160 1.00 0.00 S ATOM 0 H CYS A 68 3.109 1.192 -2.764 1.00 0.00 H new ATOM 0 HA CYS A 68 0.613 -0.224 -2.851 1.00 0.00 H new ATOM 0 HB2 CYS A 68 0.819 1.758 -4.720 1.00 0.00 H new ATOM 0 HB3 CYS A 68 1.582 0.423 -5.561 1.00 0.00 H new ATOM 1061 N PHE A 69 1.944 -2.151 -3.911 1.00 0.00 N ATOM 1062 CA PHE A 69 2.803 -3.276 -4.201 1.00 0.00 C ATOM 1063 C PHE A 69 3.291 -3.162 -5.601 1.00 0.00 C ATOM 1064 O PHE A 69 2.514 -2.906 -6.497 1.00 0.00 O ATOM 1065 CB PHE A 69 2.073 -4.602 -4.020 1.00 0.00 C ATOM 1066 CG PHE A 69 1.957 -5.040 -2.605 1.00 0.00 C ATOM 1067 CD1 PHE A 69 3.004 -5.713 -2.010 1.00 0.00 C ATOM 1068 CD2 PHE A 69 0.824 -4.788 -1.869 1.00 0.00 C ATOM 1069 CE1 PHE A 69 2.930 -6.127 -0.710 1.00 0.00 C ATOM 1070 CE2 PHE A 69 0.740 -5.203 -0.560 1.00 0.00 C ATOM 1071 CZ PHE A 69 1.797 -5.874 0.021 1.00 0.00 C ATOM 0 H PHE A 69 0.947 -2.365 -3.919 1.00 0.00 H new ATOM 0 HA PHE A 69 3.640 -3.260 -3.503 1.00 0.00 H new ATOM 0 HB2 PHE A 69 1.073 -4.516 -4.446 1.00 0.00 H new ATOM 0 HB3 PHE A 69 2.595 -5.373 -4.587 1.00 0.00 H new ATOM 0 HD1 PHE A 69 3.898 -5.916 -2.582 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -0.004 -4.262 -2.320 1.00 0.00 H new ATOM 0 HE1 PHE A 69 3.760 -6.651 -0.260 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -0.153 -5.004 0.013 1.00 0.00 H new ATOM 0 HZ PHE A 69 1.732 -6.199 1.049 1.00 0.00 H new ATOM 1081 N THR A 70 4.545 -3.327 -5.806 1.00 0.00 N ATOM 1082 CA THR A 70 5.066 -3.197 -7.101 1.00 0.00 C ATOM 1083 C THR A 70 4.943 -4.528 -7.844 1.00 0.00 C ATOM 1084 O THR A 70 5.052 -5.616 -7.239 1.00 0.00 O ATOM 1085 CB THR A 70 6.532 -2.790 -7.028 1.00 0.00 C ATOM 1086 OG1 THR A 70 6.730 -1.966 -5.877 1.00 0.00 O ATOM 1087 CG2 THR A 70 6.897 -1.980 -8.242 1.00 0.00 C ATOM 0 H THR A 70 5.228 -3.554 -5.083 1.00 0.00 H new ATOM 0 HA THR A 70 4.504 -2.431 -7.636 1.00 0.00 H new ATOM 0 HB THR A 70 7.148 -3.688 -6.975 1.00 0.00 H new ATOM 0 HG1 THR A 70 6.441 -1.051 -6.076 1.00 0.00 H new ATOM 0 HG21 THR A 70 7.947 -1.691 -8.185 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.733 -2.576 -9.140 1.00 0.00 H new ATOM 0 HG23 THR A 70 6.276 -1.085 -8.282 1.00 0.00 H new ATOM 1095 N THR A 71 4.688 -4.452 -9.134 1.00 0.00 N ATOM 1096 CA THR A 71 4.646 -5.633 -9.958 1.00 0.00 C ATOM 1097 C THR A 71 6.097 -5.997 -10.384 1.00 0.00 C ATOM 1098 O THR A 71 6.351 -6.984 -11.083 1.00 0.00 O ATOM 1099 CB THR A 71 3.688 -5.434 -11.186 1.00 0.00 C ATOM 1100 OG1 THR A 71 3.498 -6.664 -11.913 1.00 0.00 O ATOM 1101 CG2 THR A 71 4.206 -4.356 -12.131 1.00 0.00 C ATOM 0 H THR A 71 4.507 -3.580 -9.632 1.00 0.00 H new ATOM 0 HA THR A 71 4.234 -6.468 -9.391 1.00 0.00 H new ATOM 0 HB THR A 71 2.727 -5.113 -10.784 1.00 0.00 H new ATOM 0 HG1 THR A 71 4.338 -7.168 -11.929 1.00 0.00 H new ATOM 0 HG21 THR A 71 3.518 -4.246 -12.969 1.00 0.00 H new ATOM 0 HG22 THR A 71 4.282 -3.409 -11.596 1.00 0.00 H new ATOM 0 HG23 THR A 71 5.190 -4.641 -12.504 1.00 0.00 H new ATOM 1109 N ASP A 72 7.039 -5.177 -9.935 1.00 0.00 N ATOM 1110 CA ASP A 72 8.467 -5.398 -10.134 1.00 0.00 C ATOM 1111 C ASP A 72 8.946 -6.382 -9.086 1.00 0.00 C ATOM 1112 O ASP A 72 8.676 -6.191 -7.923 1.00 0.00 O ATOM 1113 CB ASP A 72 9.229 -4.071 -9.997 1.00 0.00 C ATOM 1114 CG ASP A 72 10.730 -4.240 -10.003 1.00 0.00 C ATOM 1115 OD1 ASP A 72 11.334 -4.322 -11.101 1.00 0.00 O ATOM 1116 OD2 ASP A 72 11.330 -4.273 -8.927 1.00 0.00 O ATOM 0 H ASP A 72 6.829 -4.326 -9.414 1.00 0.00 H new ATOM 0 HA ASP A 72 8.649 -5.796 -11.132 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.942 -3.409 -10.814 1.00 0.00 H new ATOM 0 HB3 ASP A 72 8.929 -3.582 -9.070 1.00 0.00 H new ATOM 1121 N PRO A 73 9.643 -7.452 -9.481 1.00 0.00 N ATOM 1122 CA PRO A 73 10.077 -8.498 -8.546 1.00 0.00 C ATOM 1123 C PRO A 73 11.097 -8.036 -7.495 1.00 0.00 C ATOM 1124 O PRO A 73 11.242 -8.679 -6.444 1.00 0.00 O ATOM 1125 CB PRO A 73 10.680 -9.588 -9.427 1.00 0.00 C ATOM 1126 CG PRO A 73 10.911 -8.967 -10.766 1.00 0.00 C ATOM 1127 CD PRO A 73 10.052 -7.740 -10.866 1.00 0.00 C ATOM 0 HA PRO A 73 9.224 -8.831 -7.955 1.00 0.00 H new ATOM 0 HB2 PRO A 73 11.614 -9.957 -9.004 1.00 0.00 H new ATOM 0 HB3 PRO A 73 10.006 -10.441 -9.505 1.00 0.00 H new ATOM 0 HG2 PRO A 73 11.962 -8.706 -10.888 1.00 0.00 H new ATOM 0 HG3 PRO A 73 10.663 -9.671 -11.560 1.00 0.00 H new ATOM 0 HD2 PRO A 73 10.604 -6.905 -11.297 1.00 0.00 H new ATOM 0 HD3 PRO A 73 9.187 -7.914 -11.506 1.00 0.00 H new ATOM 1135 N ASN A 74 11.767 -6.930 -7.740 1.00 0.00 N ATOM 1136 CA ASN A 74 12.759 -6.450 -6.801 1.00 0.00 C ATOM 1137 C ASN A 74 12.054 -5.704 -5.707 1.00 0.00 C ATOM 1138 O ASN A 74 12.360 -5.855 -4.528 1.00 0.00 O ATOM 1139 CB ASN A 74 13.798 -5.534 -7.476 1.00 0.00 C ATOM 1140 CG ASN A 74 14.914 -5.070 -6.531 1.00 0.00 C ATOM 1141 OD1 ASN A 74 15.369 -5.938 -5.653 1.00 0.00 O flip ATOM 1142 ND2 ASN A 74 15.401 -3.939 -6.635 1.00 0.00 N flip ATOM 0 H ASN A 74 11.645 -6.352 -8.571 1.00 0.00 H new ATOM 0 HA ASN A 74 13.300 -7.306 -6.399 1.00 0.00 H new ATOM 0 HB2 ASN A 74 14.243 -6.063 -8.319 1.00 0.00 H new ATOM 0 HB3 ASN A 74 13.290 -4.659 -7.882 1.00 0.00 H new ATOM 0 HD21 ASN A 74 15.029 -3.285 -7.324 1.00 0.00 H new ATOM 0 HD22 ASN A 74 16.174 -3.659 -6.032 1.00 0.00 H new ATOM 1149 N LYS A 75 11.089 -4.915 -6.084 1.00 0.00 N ATOM 1150 CA LYS A 75 10.345 -4.164 -5.140 1.00 0.00 C ATOM 1151 C LYS A 75 9.140 -4.867 -4.664 1.00 0.00 C ATOM 1152 O LYS A 75 8.204 -5.089 -5.409 1.00 0.00 O ATOM 1153 CB LYS A 75 9.952 -2.824 -5.671 1.00 0.00 C ATOM 1154 CG LYS A 75 11.042 -1.821 -5.640 1.00 0.00 C ATOM 1155 CD LYS A 75 11.466 -1.477 -4.226 1.00 0.00 C ATOM 1156 CE LYS A 75 12.477 -0.367 -4.241 1.00 0.00 C ATOM 1157 NZ LYS A 75 12.984 -0.032 -2.893 1.00 0.00 N ATOM 0 H LYS A 75 10.804 -4.781 -7.054 1.00 0.00 H new ATOM 0 HA LYS A 75 11.018 -4.031 -4.293 1.00 0.00 H new ATOM 0 HB2 LYS A 75 9.607 -2.939 -6.698 1.00 0.00 H new ATOM 0 HB3 LYS A 75 9.109 -2.448 -5.091 1.00 0.00 H new ATOM 0 HG2 LYS A 75 11.901 -2.204 -6.192 1.00 0.00 H new ATOM 0 HG3 LYS A 75 10.714 -0.915 -6.149 1.00 0.00 H new ATOM 0 HD2 LYS A 75 10.596 -1.178 -3.641 1.00 0.00 H new ATOM 0 HD3 LYS A 75 11.889 -2.357 -3.742 1.00 0.00 H new ATOM 0 HE2 LYS A 75 13.314 -0.653 -4.878 1.00 0.00 H new ATOM 0 HE3 LYS A 75 12.028 0.521 -4.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 13.678 0.740 -2.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 12.192 0.269 -2.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 13.439 -0.869 -2.475 1.00 0.00 H new ATOM 1171 N ARG A 76 9.167 -5.196 -3.408 1.00 0.00 N ATOM 1172 CA ARG A 76 8.017 -5.742 -2.719 1.00 0.00 C ATOM 1173 C ARG A 76 6.933 -4.686 -2.809 1.00 0.00 C ATOM 1174 O ARG A 76 5.774 -4.972 -3.094 1.00 0.00 O ATOM 1175 CB ARG A 76 8.379 -5.959 -1.242 1.00 0.00 C ATOM 1176 CG ARG A 76 7.319 -6.658 -0.368 1.00 0.00 C ATOM 1177 CD ARG A 76 7.142 -8.139 -0.706 1.00 0.00 C ATOM 1178 NE ARG A 76 6.190 -8.799 0.222 1.00 0.00 N ATOM 1179 CZ ARG A 76 6.322 -10.044 0.739 1.00 0.00 C ATOM 1180 NH1 ARG A 76 7.374 -10.803 0.424 1.00 0.00 N ATOM 1181 NH2 ARG A 76 5.407 -10.509 1.593 1.00 0.00 N ATOM 0 H ARG A 76 9.993 -5.095 -2.818 1.00 0.00 H new ATOM 0 HA ARG A 76 7.697 -6.690 -3.152 1.00 0.00 H new ATOM 0 HB2 ARG A 76 9.297 -6.545 -1.199 1.00 0.00 H new ATOM 0 HB3 ARG A 76 8.600 -4.988 -0.799 1.00 0.00 H new ATOM 0 HG2 ARG A 76 7.601 -6.562 0.680 1.00 0.00 H new ATOM 0 HG3 ARG A 76 6.364 -6.148 -0.489 1.00 0.00 H new ATOM 0 HD2 ARG A 76 6.782 -8.239 -1.730 1.00 0.00 H new ATOM 0 HD3 ARG A 76 8.108 -8.642 -0.657 1.00 0.00 H new ATOM 0 HE ARG A 76 5.363 -8.268 0.495 1.00 0.00 H new ATOM 0 HH11 ARG A 76 8.088 -10.447 -0.211 1.00 0.00 H new ATOM 0 HH12 ARG A 76 7.464 -11.739 0.819 1.00 0.00 H new ATOM 0 HH21 ARG A 76 4.611 -9.927 1.854 1.00 0.00 H new ATOM 0 HH22 ARG A 76 5.504 -11.446 1.984 1.00 0.00 H new ATOM 1195 N TRP A 77 7.368 -3.454 -2.633 1.00 0.00 N ATOM 1196 CA TRP A 77 6.500 -2.303 -2.662 1.00 0.00 C ATOM 1197 C TRP A 77 7.308 -1.051 -2.817 1.00 0.00 C ATOM 1198 O TRP A 77 8.538 -1.063 -2.644 1.00 0.00 O ATOM 1199 CB TRP A 77 5.648 -2.199 -1.374 1.00 0.00 C ATOM 1200 CG TRP A 77 6.465 -2.153 -0.098 1.00 0.00 C ATOM 1201 CD1 TRP A 77 6.877 -3.211 0.647 1.00 0.00 C ATOM 1202 CD2 TRP A 77 6.963 -0.985 0.574 1.00 0.00 C ATOM 1203 NE1 TRP A 77 7.625 -2.781 1.709 1.00 0.00 N ATOM 1204 CE2 TRP A 77 7.680 -1.427 1.696 1.00 0.00 C ATOM 1205 CE3 TRP A 77 6.875 0.385 0.334 1.00 0.00 C ATOM 1206 CZ2 TRP A 77 8.303 -0.558 2.573 1.00 0.00 C ATOM 1207 CZ3 TRP A 77 7.494 1.247 1.206 1.00 0.00 C ATOM 1208 CH2 TRP A 77 8.198 0.775 2.314 1.00 0.00 C ATOM 0 H TRP A 77 8.348 -3.226 -2.464 1.00 0.00 H new ATOM 0 HA TRP A 77 5.829 -2.422 -3.513 1.00 0.00 H new ATOM 0 HB2 TRP A 77 5.030 -1.303 -1.430 1.00 0.00 H new ATOM 0 HB3 TRP A 77 4.970 -3.051 -1.329 1.00 0.00 H new ATOM 0 HD1 TRP A 77 6.647 -4.244 0.432 1.00 0.00 H new ATOM 0 HE1 TRP A 77 8.071 -3.384 2.401 1.00 0.00 H new ATOM 0 HE3 TRP A 77 6.331 0.761 -0.520 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 8.851 -0.922 3.429 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 7.435 2.311 1.030 1.00 0.00 H new ATOM 0 HH2 TRP A 77 8.670 1.482 2.981 1.00 0.00 H new ATOM 1219 N GLU A 78 6.620 0.003 -3.116 1.00 0.00 N ATOM 1220 CA GLU A 78 7.172 1.338 -3.174 1.00 0.00 C ATOM 1221 C GLU A 78 6.127 2.288 -2.679 1.00 0.00 C ATOM 1222 O GLU A 78 4.947 1.927 -2.598 1.00 0.00 O ATOM 1223 CB GLU A 78 7.560 1.784 -4.584 1.00 0.00 C ATOM 1224 CG GLU A 78 8.637 0.990 -5.272 1.00 0.00 C ATOM 1225 CD GLU A 78 9.097 1.685 -6.517 1.00 0.00 C ATOM 1226 OE1 GLU A 78 8.289 1.874 -7.433 1.00 0.00 O ATOM 1227 OE2 GLU A 78 10.275 2.078 -6.582 1.00 0.00 O ATOM 0 H GLU A 78 5.625 -0.032 -3.336 1.00 0.00 H new ATOM 0 HA GLU A 78 8.079 1.335 -2.569 1.00 0.00 H new ATOM 0 HB2 GLU A 78 6.666 1.757 -5.207 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.883 2.824 -4.535 1.00 0.00 H new ATOM 0 HG2 GLU A 78 9.480 0.850 -4.596 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.261 -0.002 -5.522 1.00 0.00 H new ATOM 1234 N TYR A 79 6.541 3.483 -2.355 1.00 0.00 N ATOM 1235 CA TYR A 79 5.632 4.510 -1.969 1.00 0.00 C ATOM 1236 C TYR A 79 5.031 5.139 -3.199 1.00 0.00 C ATOM 1237 O TYR A 79 5.575 5.028 -4.303 1.00 0.00 O ATOM 1238 CB TYR A 79 6.317 5.588 -1.130 1.00 0.00 C ATOM 1239 CG TYR A 79 6.621 5.204 0.297 1.00 0.00 C ATOM 1240 CD1 TYR A 79 5.630 5.273 1.262 1.00 0.00 C ATOM 1241 CD2 TYR A 79 7.890 4.802 0.687 1.00 0.00 C ATOM 1242 CE1 TYR A 79 5.885 4.952 2.574 1.00 0.00 C ATOM 1243 CE2 TYR A 79 8.156 4.483 2.006 1.00 0.00 C ATOM 1244 CZ TYR A 79 7.147 4.557 2.945 1.00 0.00 C ATOM 1245 OH TYR A 79 7.412 4.258 4.272 1.00 0.00 O ATOM 0 H TYR A 79 7.521 3.765 -2.354 1.00 0.00 H new ATOM 0 HA TYR A 79 4.853 4.054 -1.359 1.00 0.00 H new ATOM 0 HB2 TYR A 79 7.250 5.867 -1.620 1.00 0.00 H new ATOM 0 HB3 TYR A 79 5.684 6.475 -1.122 1.00 0.00 H new ATOM 0 HD1 TYR A 79 4.636 5.586 0.978 1.00 0.00 H new ATOM 0 HD2 TYR A 79 8.679 4.737 -0.048 1.00 0.00 H new ATOM 0 HE1 TYR A 79 5.097 5.010 3.310 1.00 0.00 H new ATOM 0 HE2 TYR A 79 9.149 4.177 2.300 1.00 0.00 H new ATOM 0 HH TYR A 79 6.598 4.380 4.804 1.00 0.00 H new ATOM 1255 N CYS A 80 3.926 5.754 -3.022 1.00 0.00 N ATOM 1256 CA CYS A 80 3.263 6.452 -4.067 1.00 0.00 C ATOM 1257 C CYS A 80 3.284 7.929 -3.731 1.00 0.00 C ATOM 1258 O CYS A 80 2.989 8.325 -2.595 1.00 0.00 O ATOM 1259 CB CYS A 80 1.852 5.888 -4.241 1.00 0.00 C ATOM 1260 SG CYS A 80 1.845 4.183 -4.911 1.00 0.00 S ATOM 0 H CYS A 80 3.440 5.791 -2.126 1.00 0.00 H new ATOM 0 HA CYS A 80 3.765 6.321 -5.025 1.00 0.00 H new ATOM 0 HB2 CYS A 80 1.341 5.897 -3.278 1.00 0.00 H new ATOM 0 HB3 CYS A 80 1.286 6.538 -4.908 1.00 0.00 H new ATOM 1265 N ASP A 81 3.659 8.738 -4.682 1.00 0.00 N ATOM 1266 CA ASP A 81 3.834 10.152 -4.442 1.00 0.00 C ATOM 1267 C ASP A 81 2.535 10.877 -4.663 1.00 0.00 C ATOM 1268 O ASP A 81 2.201 11.286 -5.772 1.00 0.00 O ATOM 1269 CB ASP A 81 4.948 10.723 -5.326 1.00 0.00 C ATOM 1270 CG ASP A 81 5.217 12.194 -5.084 1.00 0.00 C ATOM 1271 OD1 ASP A 81 5.709 12.551 -3.975 1.00 0.00 O ATOM 1272 OD2 ASP A 81 4.969 13.012 -5.986 1.00 0.00 O ATOM 0 H ASP A 81 3.852 8.444 -5.639 1.00 0.00 H new ATOM 0 HA ASP A 81 4.135 10.297 -3.404 1.00 0.00 H new ATOM 0 HB2 ASP A 81 5.865 10.160 -5.150 1.00 0.00 H new ATOM 0 HB3 ASP A 81 4.681 10.578 -6.373 1.00 0.00 H new ATOM 1277 N ILE A 82 1.766 10.934 -3.619 1.00 0.00 N ATOM 1278 CA ILE A 82 0.493 11.579 -3.636 1.00 0.00 C ATOM 1279 C ILE A 82 0.498 12.673 -2.593 1.00 0.00 C ATOM 1280 O ILE A 82 0.698 12.384 -1.411 1.00 0.00 O ATOM 1281 CB ILE A 82 -0.629 10.571 -3.291 1.00 0.00 C ATOM 1282 CG1 ILE A 82 -0.472 9.315 -4.158 1.00 0.00 C ATOM 1283 CG2 ILE A 82 -2.005 11.216 -3.498 1.00 0.00 C ATOM 1284 CD1 ILE A 82 -1.525 8.257 -3.935 1.00 0.00 C ATOM 0 H ILE A 82 2.011 10.526 -2.717 1.00 0.00 H new ATOM 0 HA ILE A 82 0.310 11.987 -4.630 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.550 10.283 -2.243 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -0.490 9.610 -5.207 1.00 0.00 H new ATOM 0 HG13 ILE A 82 0.508 8.878 -3.966 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -2.785 10.496 -3.252 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -2.099 12.088 -2.851 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -2.110 11.523 -4.539 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.332 7.408 -4.591 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.495 7.927 -2.896 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.509 8.671 -4.157 1.00 0.00 H new ATOM 1494 N ALA B 108 -4.626 -3.670 13.103 1.00 0.00 N ATOM 1495 CA ALA B 108 -3.528 -4.319 13.807 1.00 0.00 C ATOM 1496 C ALA B 108 -2.883 -5.385 12.932 1.00 0.00 C ATOM 1497 O ALA B 108 -1.662 -5.566 12.954 1.00 0.00 O ATOM 1498 CB ALA B 108 -3.995 -4.912 15.119 1.00 0.00 C ATOM 0 HA ALA B 108 -2.778 -3.560 14.031 1.00 0.00 H new ATOM 0 HB1 ALA B 108 -3.154 -5.390 15.622 1.00 0.00 H new ATOM 0 HB2 ALA B 108 -4.396 -4.121 15.753 1.00 0.00 H new ATOM 0 HB3 ALA B 108 -4.772 -5.653 14.928 1.00 0.00 H new ATOM 1504 N GLU B 109 -3.700 -6.086 12.158 1.00 0.00 N ATOM 1505 CA GLU B 109 -3.196 -7.070 11.224 1.00 0.00 C ATOM 1506 C GLU B 109 -2.414 -6.342 10.154 1.00 0.00 C ATOM 1507 O GLU B 109 -1.296 -6.733 9.794 1.00 0.00 O ATOM 1508 CB GLU B 109 -4.336 -7.881 10.596 1.00 0.00 C ATOM 1509 CG GLU B 109 -3.835 -8.943 9.640 1.00 0.00 C ATOM 1510 CD GLU B 109 -4.893 -9.890 9.159 1.00 0.00 C ATOM 1511 OE1 GLU B 109 -6.087 -9.544 9.127 1.00 0.00 O ATOM 1512 OE2 GLU B 109 -4.547 -11.011 8.753 1.00 0.00 O ATOM 0 H GLU B 109 -4.715 -5.988 12.162 1.00 0.00 H new ATOM 0 HA GLU B 109 -2.554 -7.776 11.751 1.00 0.00 H new ATOM 0 HB2 GLU B 109 -4.919 -8.354 11.386 1.00 0.00 H new ATOM 0 HB3 GLU B 109 -5.008 -7.206 10.065 1.00 0.00 H new ATOM 0 HG2 GLU B 109 -3.382 -8.454 8.777 1.00 0.00 H new ATOM 0 HG3 GLU B 109 -3.048 -9.515 10.131 1.00 0.00 H new ATOM 1519 N LEU B 110 -2.996 -5.254 9.695 1.00 0.00 N ATOM 1520 CA LEU B 110 -2.385 -4.371 8.737 1.00 0.00 C ATOM 1521 C LEU B 110 -1.054 -3.855 9.233 1.00 0.00 C ATOM 1522 O LEU B 110 -0.120 -3.766 8.474 1.00 0.00 O ATOM 1523 CB LEU B 110 -3.325 -3.216 8.419 1.00 0.00 C ATOM 1524 CG LEU B 110 -4.456 -3.515 7.447 1.00 0.00 C ATOM 1525 CD1 LEU B 110 -5.423 -2.359 7.396 1.00 0.00 C ATOM 1526 CD2 LEU B 110 -3.903 -3.781 6.059 1.00 0.00 C ATOM 0 H LEU B 110 -3.927 -4.957 9.987 1.00 0.00 H new ATOM 0 HA LEU B 110 -2.198 -4.936 7.824 1.00 0.00 H new ATOM 0 HB2 LEU B 110 -3.761 -2.863 9.353 1.00 0.00 H new ATOM 0 HB3 LEU B 110 -2.733 -2.395 8.013 1.00 0.00 H new ATOM 0 HG LEU B 110 -4.982 -4.403 7.796 1.00 0.00 H new ATOM 0 HD11 LEU B 110 -6.227 -2.588 6.696 1.00 0.00 H new ATOM 0 HD12 LEU B 110 -5.842 -2.191 8.388 1.00 0.00 H new ATOM 0 HD13 LEU B 110 -4.900 -1.461 7.067 1.00 0.00 H new ATOM 0 HD21 LEU B 110 -4.724 -3.993 5.375 1.00 0.00 H new ATOM 0 HD22 LEU B 110 -3.358 -2.904 5.710 1.00 0.00 H new ATOM 0 HD23 LEU B 110 -3.229 -4.637 6.094 1.00 0.00 H new ATOM 1538 N GLN B 111 -0.975 -3.552 10.511 1.00 0.00 N ATOM 1539 CA GLN B 111 0.253 -3.081 11.124 1.00 0.00 C ATOM 1540 C GLN B 111 1.330 -4.167 11.075 1.00 0.00 C ATOM 1541 O GLN B 111 2.488 -3.886 10.806 1.00 0.00 O ATOM 1542 CB GLN B 111 0.006 -2.653 12.563 1.00 0.00 C ATOM 1543 CG GLN B 111 1.213 -2.030 13.237 1.00 0.00 C ATOM 1544 CD GLN B 111 0.930 -1.649 14.660 1.00 0.00 C ATOM 1545 OE1 GLN B 111 1.131 -2.440 15.579 1.00 0.00 O ATOM 1546 NE2 GLN B 111 0.460 -0.451 14.867 1.00 0.00 N ATOM 0 H GLN B 111 -1.761 -3.625 11.157 1.00 0.00 H new ATOM 0 HA GLN B 111 0.603 -2.216 10.560 1.00 0.00 H new ATOM 0 HB2 GLN B 111 -0.817 -1.939 12.583 1.00 0.00 H new ATOM 0 HB3 GLN B 111 -0.312 -3.521 13.140 1.00 0.00 H new ATOM 0 HG2 GLN B 111 2.046 -2.732 13.209 1.00 0.00 H new ATOM 0 HG3 GLN B 111 1.523 -1.146 12.680 1.00 0.00 H new ATOM 0 HE21 GLN B 111 0.306 0.179 14.080 1.00 0.00 H new ATOM 0 HE22 GLN B 111 0.247 -0.144 15.816 1.00 0.00 H new ATOM 1555 N ARG B 112 0.932 -5.399 11.301 1.00 0.00 N ATOM 1556 CA ARG B 112 1.855 -6.536 11.274 1.00 0.00 C ATOM 1557 C ARG B 112 2.312 -6.754 9.836 1.00 0.00 C ATOM 1558 O ARG B 112 3.467 -7.058 9.579 1.00 0.00 O ATOM 1559 CB ARG B 112 1.131 -7.772 11.830 1.00 0.00 C ATOM 1560 CG ARG B 112 2.038 -8.863 12.365 1.00 0.00 C ATOM 1561 CD ARG B 112 2.607 -9.718 11.277 1.00 0.00 C ATOM 1562 NE ARG B 112 3.702 -10.567 11.759 1.00 0.00 N ATOM 1563 CZ ARG B 112 4.133 -11.693 11.167 1.00 0.00 C ATOM 1564 NH1 ARG B 112 3.433 -12.254 10.179 1.00 0.00 N ATOM 1565 NH2 ARG B 112 5.241 -12.281 11.598 1.00 0.00 N ATOM 0 H ARG B 112 -0.034 -5.651 11.509 1.00 0.00 H new ATOM 0 HA ARG B 112 2.734 -6.348 11.891 1.00 0.00 H new ATOM 0 HB2 ARG B 112 0.462 -7.453 12.629 1.00 0.00 H new ATOM 0 HB3 ARG B 112 0.507 -8.194 11.042 1.00 0.00 H new ATOM 0 HG2 ARG B 112 2.852 -8.410 12.930 1.00 0.00 H new ATOM 0 HG3 ARG B 112 1.478 -9.489 13.060 1.00 0.00 H new ATOM 0 HD2 ARG B 112 1.819 -10.345 10.860 1.00 0.00 H new ATOM 0 HD3 ARG B 112 2.970 -9.082 10.469 1.00 0.00 H new ATOM 0 HE ARG B 112 4.175 -10.278 12.615 1.00 0.00 H new ATOM 0 HH11 ARG B 112 2.561 -11.828 9.866 1.00 0.00 H new ATOM 0 HH12 ARG B 112 3.770 -13.109 9.737 1.00 0.00 H new ATOM 0 HH21 ARG B 112 5.763 -11.878 12.376 1.00 0.00 H new ATOM 0 HH22 ARG B 112 5.571 -13.136 11.151 1.00 0.00 H new ATOM 1579 N LEU B 113 1.400 -6.571 8.908 1.00 0.00 N ATOM 1580 CA LEU B 113 1.716 -6.658 7.482 1.00 0.00 C ATOM 1581 C LEU B 113 2.611 -5.474 7.062 1.00 0.00 C ATOM 1582 O LEU B 113 3.500 -5.612 6.219 1.00 0.00 O ATOM 1583 CB LEU B 113 0.432 -6.691 6.645 1.00 0.00 C ATOM 1584 CG LEU B 113 -0.547 -7.841 6.928 1.00 0.00 C ATOM 1585 CD1 LEU B 113 -1.774 -7.725 6.043 1.00 0.00 C ATOM 1586 CD2 LEU B 113 0.124 -9.196 6.737 1.00 0.00 C ATOM 0 H LEU B 113 0.423 -6.359 9.108 1.00 0.00 H new ATOM 0 HA LEU B 113 2.261 -7.585 7.302 1.00 0.00 H new ATOM 0 HB2 LEU B 113 -0.096 -5.750 6.795 1.00 0.00 H new ATOM 0 HB3 LEU B 113 0.713 -6.734 5.593 1.00 0.00 H new ATOM 0 HG LEU B 113 -0.860 -7.766 7.969 1.00 0.00 H new ATOM 0 HD11 LEU B 113 -2.456 -8.548 6.257 1.00 0.00 H new ATOM 0 HD12 LEU B 113 -2.276 -6.777 6.239 1.00 0.00 H new ATOM 0 HD13 LEU B 113 -1.473 -7.767 4.996 1.00 0.00 H new ATOM 0 HD21 LEU B 113 -0.594 -9.990 6.944 1.00 0.00 H new ATOM 0 HD22 LEU B 113 0.477 -9.285 5.710 1.00 0.00 H new ATOM 0 HD23 LEU B 113 0.969 -9.283 7.420 1.00 0.00 H new ATOM 1598 N LYS B 114 2.370 -4.326 7.676 1.00 0.00 N ATOM 1599 CA LYS B 114 3.145 -3.116 7.476 1.00 0.00 C ATOM 1600 C LYS B 114 4.556 -3.397 7.950 1.00 0.00 C ATOM 1601 O LYS B 114 5.529 -3.109 7.262 1.00 0.00 O ATOM 1602 CB LYS B 114 2.490 -1.993 8.307 1.00 0.00 C ATOM 1603 CG LYS B 114 2.866 -0.568 7.939 1.00 0.00 C ATOM 1604 CD LYS B 114 1.864 0.417 8.536 1.00 0.00 C ATOM 1605 CE LYS B 114 2.086 0.707 10.016 1.00 0.00 C ATOM 1606 NZ LYS B 114 1.027 1.608 10.559 1.00 0.00 N ATOM 0 H LYS B 114 1.609 -4.209 8.345 1.00 0.00 H new ATOM 0 HA LYS B 114 3.174 -2.808 6.431 1.00 0.00 H new ATOM 0 HB2 LYS B 114 1.408 -2.093 8.222 1.00 0.00 H new ATOM 0 HB3 LYS B 114 2.743 -2.153 9.355 1.00 0.00 H new ATOM 0 HG2 LYS B 114 3.868 -0.344 8.304 1.00 0.00 H new ATOM 0 HG3 LYS B 114 2.890 -0.460 6.855 1.00 0.00 H new ATOM 0 HD2 LYS B 114 1.916 1.354 7.981 1.00 0.00 H new ATOM 0 HD3 LYS B 114 0.857 0.022 8.401 1.00 0.00 H new ATOM 0 HE2 LYS B 114 2.091 -0.229 10.575 1.00 0.00 H new ATOM 0 HE3 LYS B 114 3.064 1.167 10.155 1.00 0.00 H new ATOM 0 HZ1 LYS B 114 1.095 1.638 11.596 1.00 0.00 H new ATOM 0 HZ2 LYS B 114 1.157 2.566 10.176 1.00 0.00 H new ATOM 0 HZ3 LYS B 114 0.091 1.249 10.283 1.00 0.00 H new ATOM 1620 N ASN B 115 4.634 -4.013 9.117 1.00 0.00 N ATOM 1621 CA ASN B 115 5.883 -4.467 9.723 1.00 0.00 C ATOM 1622 C ASN B 115 6.578 -5.455 8.808 1.00 0.00 C ATOM 1623 O ASN B 115 7.749 -5.335 8.584 1.00 0.00 O ATOM 1624 CB ASN B 115 5.622 -5.093 11.122 1.00 0.00 C ATOM 1625 CG ASN B 115 5.526 -4.088 12.273 1.00 0.00 C ATOM 1626 OD1 ASN B 115 5.916 -4.387 13.410 1.00 0.00 O ATOM 1627 ND2 ASN B 115 4.983 -2.927 12.017 1.00 0.00 N ATOM 0 H ASN B 115 3.813 -4.218 9.687 1.00 0.00 H new ATOM 0 HA ASN B 115 6.537 -3.606 9.861 1.00 0.00 H new ATOM 0 HB2 ASN B 115 4.695 -5.665 11.080 1.00 0.00 H new ATOM 0 HB3 ASN B 115 6.422 -5.799 11.342 1.00 0.00 H new ATOM 0 HD21 ASN B 115 4.872 -2.240 12.763 1.00 0.00 H new ATOM 0 HD22 ASN B 115 4.671 -2.707 11.071 1.00 0.00 H new ATOM 1634 N GLU B 116 5.816 -6.389 8.252 1.00 0.00 N ATOM 1635 CA GLU B 116 6.310 -7.377 7.281 1.00 0.00 C ATOM 1636 C GLU B 116 6.990 -6.669 6.122 1.00 0.00 C ATOM 1637 O GLU B 116 8.152 -6.922 5.810 1.00 0.00 O ATOM 1638 CB GLU B 116 5.132 -8.201 6.754 1.00 0.00 C ATOM 1639 CG GLU B 116 5.462 -9.077 5.562 1.00 0.00 C ATOM 1640 CD GLU B 116 4.267 -9.834 5.037 1.00 0.00 C ATOM 1641 OE1 GLU B 116 3.848 -10.840 5.666 1.00 0.00 O ATOM 1642 OE2 GLU B 116 3.729 -9.455 3.975 1.00 0.00 O ATOM 0 H GLU B 116 4.823 -6.489 8.461 1.00 0.00 H new ATOM 0 HA GLU B 116 7.030 -8.033 7.770 1.00 0.00 H new ATOM 0 HB2 GLU B 116 4.757 -8.832 7.560 1.00 0.00 H new ATOM 0 HB3 GLU B 116 4.325 -7.523 6.478 1.00 0.00 H new ATOM 0 HG2 GLU B 116 5.871 -8.457 4.765 1.00 0.00 H new ATOM 0 HG3 GLU B 116 6.239 -9.787 5.844 1.00 0.00 H new ATOM 1649 N ARG B 117 6.246 -5.783 5.500 1.00 0.00 N ATOM 1650 CA ARG B 117 6.751 -4.969 4.400 1.00 0.00 C ATOM 1651 C ARG B 117 7.999 -4.214 4.800 1.00 0.00 C ATOM 1652 O ARG B 117 8.932 -4.085 4.017 1.00 0.00 O ATOM 1653 CB ARG B 117 5.745 -3.936 3.935 1.00 0.00 C ATOM 1654 CG ARG B 117 4.481 -4.445 3.309 1.00 0.00 C ATOM 1655 CD ARG B 117 3.739 -3.280 2.672 1.00 0.00 C ATOM 1656 NE ARG B 117 3.370 -2.237 3.646 1.00 0.00 N ATOM 1657 CZ ARG B 117 3.811 -0.959 3.689 1.00 0.00 C ATOM 1658 NH1 ARG B 117 4.786 -0.543 2.907 1.00 0.00 N ATOM 1659 NH2 ARG B 117 3.252 -0.109 4.500 1.00 0.00 N ATOM 0 H ARG B 117 5.271 -5.601 5.737 1.00 0.00 H new ATOM 0 HA ARG B 117 6.960 -5.674 3.595 1.00 0.00 H new ATOM 0 HB2 ARG B 117 5.473 -3.319 4.792 1.00 0.00 H new ATOM 0 HB3 ARG B 117 6.239 -3.283 3.216 1.00 0.00 H new ATOM 0 HG2 ARG B 117 4.711 -5.201 2.558 1.00 0.00 H new ATOM 0 HG3 ARG B 117 3.855 -4.924 4.062 1.00 0.00 H new ATOM 0 HD2 ARG B 117 4.363 -2.840 1.894 1.00 0.00 H new ATOM 0 HD3 ARG B 117 2.837 -3.652 2.186 1.00 0.00 H new ATOM 0 HE ARG B 117 2.706 -2.510 4.371 1.00 0.00 H new ATOM 0 HH11 ARG B 117 5.225 -1.189 2.251 1.00 0.00 H new ATOM 0 HH12 ARG B 117 5.102 0.426 2.957 1.00 0.00 H new ATOM 0 HH21 ARG B 117 2.484 -0.407 5.101 1.00 0.00 H new ATOM 0 HH22 ARG B 117 3.582 0.855 4.535 1.00 0.00 H new ATOM 1673 N HIS B 118 7.976 -3.687 5.988 1.00 0.00 N ATOM 1674 CA HIS B 118 9.072 -2.934 6.537 1.00 0.00 C ATOM 1675 C HIS B 118 10.268 -3.800 6.818 1.00 0.00 C ATOM 1676 O HIS B 118 11.388 -3.382 6.611 1.00 0.00 O ATOM 1677 CB HIS B 118 8.613 -2.122 7.748 1.00 0.00 C ATOM 1678 CG HIS B 118 7.817 -0.923 7.338 1.00 0.00 C ATOM 1679 ND1 HIS B 118 8.071 -0.232 6.169 1.00 0.00 N ATOM 1680 CD2 HIS B 118 6.678 -0.394 7.831 1.00 0.00 C ATOM 1681 CE1 HIS B 118 7.116 0.635 5.965 1.00 0.00 C ATOM 1682 NE2 HIS B 118 6.268 0.563 6.952 1.00 0.00 N ATOM 0 H HIS B 118 7.179 -3.769 6.619 1.00 0.00 H new ATOM 0 HA HIS B 118 9.407 -2.219 5.785 1.00 0.00 H new ATOM 0 HB2 HIS B 118 8.011 -2.752 8.403 1.00 0.00 H new ATOM 0 HB3 HIS B 118 9.482 -1.803 8.323 1.00 0.00 H new ATOM 0 HD2 HIS B 118 6.184 -0.676 8.749 1.00 0.00 H new ATOM 0 HE1 HIS B 118 7.041 1.301 5.118 1.00 0.00 H new ATOM 0 HE2 HIS B 118 5.429 1.134 7.051 1.00 0.00 H new ATOM 1691 N GLU B 119 10.035 -5.001 7.259 1.00 0.00 N ATOM 1692 CA GLU B 119 11.107 -5.941 7.441 1.00 0.00 C ATOM 1693 C GLU B 119 11.713 -6.290 6.104 1.00 0.00 C ATOM 1694 O GLU B 119 12.905 -6.240 5.956 1.00 0.00 O ATOM 1695 CB GLU B 119 10.666 -7.201 8.186 1.00 0.00 C ATOM 1696 CG GLU B 119 10.191 -6.959 9.600 1.00 0.00 C ATOM 1697 CD GLU B 119 11.183 -6.200 10.446 1.00 0.00 C ATOM 1698 OE1 GLU B 119 12.142 -6.808 10.959 1.00 0.00 O ATOM 1699 OE2 GLU B 119 11.003 -4.985 10.640 1.00 0.00 O ATOM 0 H GLU B 119 9.110 -5.356 7.501 1.00 0.00 H new ATOM 0 HA GLU B 119 11.861 -5.463 8.067 1.00 0.00 H new ATOM 0 HB2 GLU B 119 9.864 -7.678 7.623 1.00 0.00 H new ATOM 0 HB3 GLU B 119 11.499 -7.903 8.211 1.00 0.00 H new ATOM 0 HG2 GLU B 119 9.252 -6.405 9.570 1.00 0.00 H new ATOM 0 HG3 GLU B 119 9.980 -7.918 10.073 1.00 0.00 H new ATOM 1706 N GLU B 120 10.873 -6.585 5.123 1.00 0.00 N ATOM 1707 CA GLU B 120 11.342 -6.904 3.774 1.00 0.00 C ATOM 1708 C GLU B 120 12.153 -5.764 3.192 1.00 0.00 C ATOM 1709 O GLU B 120 13.245 -5.979 2.707 1.00 0.00 O ATOM 1710 CB GLU B 120 10.172 -7.234 2.839 1.00 0.00 C ATOM 1711 CG GLU B 120 9.461 -8.533 3.151 1.00 0.00 C ATOM 1712 CD GLU B 120 10.367 -9.720 2.990 1.00 0.00 C ATOM 1713 OE1 GLU B 120 10.597 -10.160 1.838 1.00 0.00 O ATOM 1714 OE2 GLU B 120 10.878 -10.240 3.997 1.00 0.00 O ATOM 0 H GLU B 120 9.859 -6.611 5.232 1.00 0.00 H new ATOM 0 HA GLU B 120 11.980 -7.783 3.858 1.00 0.00 H new ATOM 0 HB2 GLU B 120 9.449 -6.420 2.883 1.00 0.00 H new ATOM 0 HB3 GLU B 120 10.543 -7.276 1.815 1.00 0.00 H new ATOM 0 HG2 GLU B 120 9.081 -8.502 4.172 1.00 0.00 H new ATOM 0 HG3 GLU B 120 8.599 -8.642 2.493 1.00 0.00 H new ATOM 1721 N ALA B 121 11.629 -4.561 3.292 1.00 0.00 N ATOM 1722 CA ALA B 121 12.289 -3.389 2.745 1.00 0.00 C ATOM 1723 C ALA B 121 13.588 -3.093 3.459 1.00 0.00 C ATOM 1724 O ALA B 121 14.596 -2.819 2.824 1.00 0.00 O ATOM 1725 CB ALA B 121 11.374 -2.188 2.774 1.00 0.00 C ATOM 0 H ALA B 121 10.739 -4.366 3.751 1.00 0.00 H new ATOM 0 HA ALA B 121 12.530 -3.609 1.705 1.00 0.00 H new ATOM 0 HB1 ALA B 121 11.894 -1.325 2.359 1.00 0.00 H new ATOM 0 HB2 ALA B 121 10.483 -2.395 2.181 1.00 0.00 H new ATOM 0 HB3 ALA B 121 11.084 -1.976 3.803 1.00 0.00 H new