USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=21 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 23 THR OG1 : rot 102:sc= 1.25 USER MOD Set 1.2: A 25 SER OG : rot -170:sc= 2.39 USER MOD Single : A 15 ASN : amide:sc= -0.0369 X(o=-0.037,f=0.18) USER MOD Single : A 16 TYR OH : rot 70:sc= -0.705 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 107:sc= 1.21 USER MOD Single : A 22 LYS NZ :NH3+ -163:sc= 1.24 (180deg=1.01) USER MOD Single : A 24 MET CE :methyl 163:sc= -0.0821 (180deg=-0.491) USER MOD Single : A 30 GLN : amide:sc= -2.11! C(o=-2.1!,f=-9.5!) USER MOD Single : A 34 SER OG : rot -103:sc= 0.762 USER MOD Single : A 35 GLN :FLIP amide:sc= -0.0866 F(o=-1.3!,f=-0.087) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 HIS : +bothHN:sc= -1.19 K(o=-1.2,f=-6.3!) USER MOD Single : A 40 HIS :FLIP no HD1:sc= -1.26 F(o=-3.6!,f=-1.3) USER MOD Single : A 42 TYR OH : rot 164:sc= 2.22 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= -0.0809 K(o=-0.081,f=-2.5!) USER MOD Single : A 50 LYS NZ :NH3+ -162:sc= 2.46 (180deg=1.9) USER MOD Single : A 51 ASN : amide:sc= 0.824 K(o=0.82,f=-1.8!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN :FLIP amide:sc= -2.86! C(o=-4.3!,f=-2.9!) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 1.01 K(o=1,f=-8.6!) USER MOD Single : A 70 THR OG1 : rot -160:sc= 0.00748 USER MOD Single : A 71 THR OG1 : rot 66:sc= 1.07 USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 177:sc= -0.895 (180deg=-1.02) USER MOD Single : A 79 TYR OH : rot 10:sc= 1.22 USER MOD Single : B 111 GLN : amide:sc= -0.0492 K(o=-0.049,f=-1.3!) USER MOD Single : B 114 LYS NZ :NH3+ 173:sc= 2.21 (180deg=2.07) USER MOD Single : B 115 ASN : amide:sc= -0.397 X(o=-0.4,f=-0.72) USER MOD Single : B 118 HIS : no HD1:sc= -0.295 K(o=-0.3,f=-3.8!) USER MOD ----------------------------------------------------------------- ATOM 179 N GLY A 13 -4.109 9.570 3.774 1.00 0.00 N ATOM 180 CA GLY A 13 -4.443 8.773 2.591 1.00 0.00 C ATOM 181 C GLY A 13 -5.354 7.544 2.764 1.00 0.00 C ATOM 182 O GLY A 13 -5.596 6.836 1.793 1.00 0.00 O ATOM 0 HA2 GLY A 13 -4.916 9.437 1.867 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -3.508 8.432 2.147 1.00 0.00 H new ATOM 186 N GLU A 14 -5.832 7.265 3.955 1.00 0.00 N ATOM 187 CA GLU A 14 -6.841 6.201 4.121 1.00 0.00 C ATOM 188 C GLU A 14 -8.136 6.675 3.484 1.00 0.00 C ATOM 189 O GLU A 14 -8.901 5.909 2.904 1.00 0.00 O ATOM 190 CB GLU A 14 -7.123 5.916 5.586 1.00 0.00 C ATOM 191 CG GLU A 14 -5.961 5.399 6.384 1.00 0.00 C ATOM 192 CD GLU A 14 -6.355 5.169 7.805 1.00 0.00 C ATOM 193 OE1 GLU A 14 -6.959 4.113 8.107 1.00 0.00 O ATOM 194 OE2 GLU A 14 -6.091 6.048 8.642 1.00 0.00 O ATOM 0 H GLU A 14 -5.557 7.738 4.816 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.460 5.292 3.656 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.482 6.833 6.053 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.933 5.190 5.646 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.599 4.468 5.947 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -5.138 6.113 6.341 1.00 0.00 H new ATOM 201 N ASN A 15 -8.326 7.972 3.579 1.00 0.00 N ATOM 202 CA ASN A 15 -9.490 8.683 3.066 1.00 0.00 C ATOM 203 C ASN A 15 -9.187 9.116 1.620 1.00 0.00 C ATOM 204 O ASN A 15 -9.762 10.053 1.089 1.00 0.00 O ATOM 205 CB ASN A 15 -9.757 9.916 3.966 1.00 0.00 C ATOM 206 CG ASN A 15 -11.166 10.526 3.849 1.00 0.00 C ATOM 207 OD1 ASN A 15 -11.842 10.442 2.825 1.00 0.00 O ATOM 208 ND2 ASN A 15 -11.604 11.171 4.896 1.00 0.00 N ATOM 0 H ASN A 15 -7.652 8.590 4.032 1.00 0.00 H new ATOM 0 HA ASN A 15 -10.376 8.049 3.073 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -9.588 9.630 5.004 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -9.025 10.686 3.724 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -12.521 11.616 4.874 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -11.029 11.230 5.736 1.00 0.00 H new ATOM 215 N TYR A 16 -8.216 8.473 1.023 1.00 0.00 N ATOM 216 CA TYR A 16 -7.889 8.719 -0.348 1.00 0.00 C ATOM 217 C TYR A 16 -8.551 7.668 -1.206 1.00 0.00 C ATOM 218 O TYR A 16 -8.366 6.458 -0.994 1.00 0.00 O ATOM 219 CB TYR A 16 -6.365 8.734 -0.580 1.00 0.00 C ATOM 220 CG TYR A 16 -5.976 8.778 -2.042 1.00 0.00 C ATOM 221 CD1 TYR A 16 -6.201 9.909 -2.801 1.00 0.00 C ATOM 222 CD2 TYR A 16 -5.419 7.669 -2.669 1.00 0.00 C ATOM 223 CE1 TYR A 16 -5.880 9.946 -4.134 1.00 0.00 C ATOM 224 CE2 TYR A 16 -5.103 7.691 -4.014 1.00 0.00 C ATOM 225 CZ TYR A 16 -5.329 8.835 -4.737 1.00 0.00 C ATOM 226 OH TYR A 16 -5.067 8.851 -6.082 1.00 0.00 O ATOM 0 H TYR A 16 -7.635 7.768 1.476 1.00 0.00 H new ATOM 0 HA TYR A 16 -8.259 9.707 -0.623 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -5.937 9.598 -0.072 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -5.927 7.847 -0.123 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -6.638 10.781 -2.337 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -5.230 6.774 -2.094 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -6.058 10.842 -4.709 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -4.683 6.818 -4.491 1.00 0.00 H new ATOM 0 HH TYR A 16 -4.320 9.459 -6.263 1.00 0.00 H new ATOM 236 N ASP A 17 -9.341 8.109 -2.147 1.00 0.00 N ATOM 237 CA ASP A 17 -9.971 7.193 -3.048 1.00 0.00 C ATOM 238 C ASP A 17 -9.826 7.711 -4.461 1.00 0.00 C ATOM 239 O ASP A 17 -10.776 8.176 -5.096 1.00 0.00 O ATOM 240 CB ASP A 17 -11.428 6.948 -2.675 1.00 0.00 C ATOM 241 CG ASP A 17 -11.925 5.664 -3.258 1.00 0.00 C ATOM 242 OD1 ASP A 17 -11.398 4.604 -2.873 1.00 0.00 O ATOM 243 OD2 ASP A 17 -12.837 5.672 -4.117 1.00 0.00 O ATOM 0 H ASP A 17 -9.561 9.092 -2.307 1.00 0.00 H new ATOM 0 HA ASP A 17 -9.476 6.224 -2.977 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -11.529 6.921 -1.590 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -12.042 7.775 -3.032 1.00 0.00 H new ATOM 248 N GLY A 18 -8.600 7.772 -4.868 1.00 0.00 N ATOM 249 CA GLY A 18 -8.220 8.232 -6.177 1.00 0.00 C ATOM 250 C GLY A 18 -7.696 7.096 -7.003 1.00 0.00 C ATOM 251 O GLY A 18 -7.582 5.972 -6.508 1.00 0.00 O ATOM 0 H GLY A 18 -7.808 7.497 -4.287 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -9.079 8.684 -6.673 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.458 9.007 -6.089 1.00 0.00 H new ATOM 255 N LYS A 19 -7.372 7.367 -8.234 1.00 0.00 N ATOM 256 CA LYS A 19 -6.904 6.333 -9.125 1.00 0.00 C ATOM 257 C LYS A 19 -5.434 6.470 -9.516 1.00 0.00 C ATOM 258 O LYS A 19 -5.042 6.054 -10.617 1.00 0.00 O ATOM 259 CB LYS A 19 -7.809 6.178 -10.363 1.00 0.00 C ATOM 260 CG LYS A 19 -8.322 7.461 -10.956 1.00 0.00 C ATOM 261 CD LYS A 19 -9.007 7.258 -12.311 1.00 0.00 C ATOM 262 CE LYS A 19 -8.050 6.698 -13.370 1.00 0.00 C ATOM 263 NZ LYS A 19 -8.681 6.603 -14.712 1.00 0.00 N ATOM 0 H LYS A 19 -7.422 8.297 -8.649 1.00 0.00 H new ATOM 0 HA LYS A 19 -6.971 5.411 -8.548 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -7.254 5.639 -11.131 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -8.663 5.557 -10.092 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -9.027 7.920 -10.263 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.492 8.158 -11.074 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -9.850 6.578 -12.191 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -9.412 8.209 -12.657 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -7.168 7.335 -13.431 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -7.709 5.710 -13.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.994 6.219 -15.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -9.508 5.974 -14.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -8.983 7.549 -15.021 1.00 0.00 H new ATOM 277 N ILE A 20 -4.603 7.011 -8.630 1.00 0.00 N ATOM 278 CA ILE A 20 -3.182 7.015 -8.900 1.00 0.00 C ATOM 279 C ILE A 20 -2.694 5.568 -8.748 1.00 0.00 C ATOM 280 O ILE A 20 -3.086 4.873 -7.808 1.00 0.00 O ATOM 281 CB ILE A 20 -2.379 7.987 -7.964 1.00 0.00 C ATOM 282 CG1 ILE A 20 -0.967 8.206 -8.507 1.00 0.00 C ATOM 283 CG2 ILE A 20 -2.314 7.469 -6.531 1.00 0.00 C ATOM 284 CD1 ILE A 20 -0.143 9.209 -7.720 1.00 0.00 C ATOM 0 H ILE A 20 -4.883 7.438 -7.747 1.00 0.00 H new ATOM 0 HA ILE A 20 -3.007 7.389 -9.909 1.00 0.00 H new ATOM 0 HB ILE A 20 -2.910 8.939 -7.950 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -0.442 7.251 -8.517 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -1.036 8.543 -9.541 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -1.750 8.170 -5.916 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.324 7.369 -6.134 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -1.821 6.497 -6.518 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.844 9.304 -8.173 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -0.642 10.178 -7.731 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.038 8.866 -6.691 1.00 0.00 H new ATOM 296 N SER A 21 -1.919 5.094 -9.672 1.00 0.00 N ATOM 297 CA SER A 21 -1.544 3.707 -9.638 1.00 0.00 C ATOM 298 C SER A 21 -0.051 3.538 -9.815 1.00 0.00 C ATOM 299 O SER A 21 0.437 2.447 -10.123 1.00 0.00 O ATOM 300 CB SER A 21 -2.288 3.009 -10.756 1.00 0.00 C ATOM 301 OG SER A 21 -1.918 3.536 -12.027 1.00 0.00 O ATOM 0 H SER A 21 -1.536 5.632 -10.449 1.00 0.00 H new ATOM 0 HA SER A 21 -1.802 3.276 -8.671 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.076 1.940 -10.726 1.00 0.00 H new ATOM 0 HB3 SER A 21 -3.362 3.125 -10.610 1.00 0.00 H new ATOM 0 HG SER A 21 -1.359 2.885 -12.501 1.00 0.00 H new ATOM 307 N LYS A 22 0.673 4.598 -9.594 1.00 0.00 N ATOM 308 CA LYS A 22 2.089 4.607 -9.839 1.00 0.00 C ATOM 309 C LYS A 22 2.808 5.091 -8.599 1.00 0.00 C ATOM 310 O LYS A 22 2.297 5.973 -7.888 1.00 0.00 O ATOM 311 CB LYS A 22 2.392 5.474 -11.068 1.00 0.00 C ATOM 312 CG LYS A 22 1.685 4.971 -12.335 1.00 0.00 C ATOM 313 CD LYS A 22 1.836 5.929 -13.488 1.00 0.00 C ATOM 314 CE LYS A 22 1.007 5.502 -14.698 1.00 0.00 C ATOM 315 NZ LYS A 22 1.519 4.282 -15.352 1.00 0.00 N ATOM 0 H LYS A 22 0.300 5.479 -9.240 1.00 0.00 H new ATOM 0 HA LYS A 22 2.447 3.601 -10.056 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.085 6.501 -10.868 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.468 5.491 -11.240 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.093 4.000 -12.616 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.626 4.823 -12.124 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.531 6.927 -13.173 1.00 0.00 H new ATOM 0 HD3 LYS A 22 2.886 5.992 -13.772 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.023 5.333 -14.383 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.989 6.315 -15.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 1.112 4.203 -16.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 2.555 4.334 -15.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 1.251 3.449 -14.791 1.00 0.00 H new ATOM 329 N THR A 23 3.989 4.553 -8.349 1.00 0.00 N ATOM 330 CA THR A 23 4.693 4.807 -7.114 1.00 0.00 C ATOM 331 C THR A 23 5.447 6.128 -7.191 1.00 0.00 C ATOM 332 O THR A 23 5.327 6.861 -8.178 1.00 0.00 O ATOM 333 CB THR A 23 5.667 3.648 -6.845 1.00 0.00 C ATOM 334 OG1 THR A 23 6.428 3.420 -8.036 1.00 0.00 O ATOM 335 CG2 THR A 23 4.906 2.375 -6.480 1.00 0.00 C ATOM 0 H THR A 23 4.480 3.933 -8.994 1.00 0.00 H new ATOM 0 HA THR A 23 3.976 4.877 -6.296 1.00 0.00 H new ATOM 0 HB THR A 23 6.319 3.908 -6.011 1.00 0.00 H new ATOM 0 HG1 THR A 23 7.320 3.812 -7.934 1.00 0.00 H new ATOM 0 HG21 THR A 23 5.615 1.568 -6.294 1.00 0.00 H new ATOM 0 HG22 THR A 23 4.312 2.551 -5.583 1.00 0.00 H new ATOM 0 HG23 THR A 23 4.247 2.097 -7.302 1.00 0.00 H new ATOM 343 N MET A 24 6.204 6.455 -6.165 1.00 0.00 N ATOM 344 CA MET A 24 7.021 7.647 -6.168 1.00 0.00 C ATOM 345 C MET A 24 8.120 7.564 -7.233 1.00 0.00 C ATOM 346 O MET A 24 8.607 8.580 -7.724 1.00 0.00 O ATOM 347 CB MET A 24 7.562 7.967 -4.755 1.00 0.00 C ATOM 348 CG MET A 24 8.338 6.846 -4.033 1.00 0.00 C ATOM 349 SD MET A 24 9.908 6.397 -4.794 1.00 0.00 S ATOM 350 CE MET A 24 10.814 7.922 -4.613 1.00 0.00 C ATOM 0 H MET A 24 6.269 5.904 -5.309 1.00 0.00 H new ATOM 0 HA MET A 24 6.391 8.492 -6.446 1.00 0.00 H new ATOM 0 HB2 MET A 24 8.215 8.837 -4.831 1.00 0.00 H new ATOM 0 HB3 MET A 24 6.719 8.255 -4.127 1.00 0.00 H new ATOM 0 HG2 MET A 24 8.525 7.158 -3.005 1.00 0.00 H new ATOM 0 HG3 MET A 24 7.707 5.959 -3.987 1.00 0.00 H new ATOM 0 HE1 MET A 24 11.878 7.731 -4.751 1.00 0.00 H new ATOM 0 HE2 MET A 24 10.474 8.638 -5.361 1.00 0.00 H new ATOM 0 HE3 MET A 24 10.645 8.330 -3.616 1.00 0.00 H new ATOM 360 N SER A 25 8.484 6.346 -7.595 1.00 0.00 N ATOM 361 CA SER A 25 9.408 6.090 -8.658 1.00 0.00 C ATOM 362 C SER A 25 8.675 6.129 -10.006 1.00 0.00 C ATOM 363 O SER A 25 9.287 6.218 -11.077 1.00 0.00 O ATOM 364 CB SER A 25 10.042 4.736 -8.399 1.00 0.00 C ATOM 365 OG SER A 25 9.050 3.826 -7.926 1.00 0.00 O ATOM 0 H SER A 25 8.133 5.501 -7.144 1.00 0.00 H new ATOM 0 HA SER A 25 10.188 6.851 -8.697 1.00 0.00 H new ATOM 0 HB2 SER A 25 10.494 4.354 -9.314 1.00 0.00 H new ATOM 0 HB3 SER A 25 10.842 4.832 -7.665 1.00 0.00 H new ATOM 0 HG SER A 25 9.483 3.005 -7.612 1.00 0.00 H new ATOM 371 N GLY A 26 7.357 6.090 -9.925 1.00 0.00 N ATOM 372 CA GLY A 26 6.507 6.132 -11.077 1.00 0.00 C ATOM 373 C GLY A 26 6.309 4.784 -11.678 1.00 0.00 C ATOM 374 O GLY A 26 5.888 4.662 -12.829 1.00 0.00 O ATOM 0 H GLY A 26 6.851 6.027 -9.041 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.540 6.549 -10.798 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.940 6.800 -11.822 1.00 0.00 H new ATOM 378 N LEU A 27 6.607 3.778 -10.913 1.00 0.00 N ATOM 379 CA LEU A 27 6.422 2.429 -11.337 1.00 0.00 C ATOM 380 C LEU A 27 4.977 2.076 -11.176 1.00 0.00 C ATOM 381 O LEU A 27 4.275 2.701 -10.401 1.00 0.00 O ATOM 382 CB LEU A 27 7.269 1.501 -10.497 1.00 0.00 C ATOM 383 CG LEU A 27 8.796 1.642 -10.644 1.00 0.00 C ATOM 384 CD1 LEU A 27 9.521 0.787 -9.623 1.00 0.00 C ATOM 385 CD2 LEU A 27 9.233 1.246 -12.043 1.00 0.00 C ATOM 0 H LEU A 27 6.988 3.874 -9.972 1.00 0.00 H new ATOM 0 HA LEU A 27 6.721 2.325 -12.380 1.00 0.00 H new ATOM 0 HB2 LEU A 27 7.011 1.658 -9.450 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.996 0.475 -10.742 1.00 0.00 H new ATOM 0 HG LEU A 27 9.053 2.687 -10.470 1.00 0.00 H new ATOM 0 HD11 LEU A 27 10.597 0.905 -9.748 1.00 0.00 H new ATOM 0 HD12 LEU A 27 9.236 1.100 -8.618 1.00 0.00 H new ATOM 0 HD13 LEU A 27 9.251 -0.259 -9.767 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.314 1.351 -12.130 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.953 0.210 -12.232 1.00 0.00 H new ATOM 0 HD23 LEU A 27 8.746 1.892 -12.773 1.00 0.00 H new ATOM 397 N GLU A 28 4.544 1.094 -11.881 1.00 0.00 N ATOM 398 CA GLU A 28 3.160 0.703 -11.837 1.00 0.00 C ATOM 399 C GLU A 28 2.942 -0.136 -10.586 1.00 0.00 C ATOM 400 O GLU A 28 3.786 -0.995 -10.240 1.00 0.00 O ATOM 401 CB GLU A 28 2.792 -0.105 -13.088 1.00 0.00 C ATOM 402 CG GLU A 28 1.289 -0.223 -13.353 1.00 0.00 C ATOM 403 CD GLU A 28 0.649 1.120 -13.676 1.00 0.00 C ATOM 404 OE1 GLU A 28 1.113 1.797 -14.614 1.00 0.00 O ATOM 405 OE2 GLU A 28 -0.354 1.504 -13.039 1.00 0.00 O ATOM 0 H GLU A 28 5.126 0.534 -12.505 1.00 0.00 H new ATOM 0 HA GLU A 28 2.525 1.588 -11.811 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.265 0.357 -13.955 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.210 -1.107 -12.993 1.00 0.00 H new ATOM 0 HG2 GLU A 28 1.122 -0.911 -14.182 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.801 -0.654 -12.478 1.00 0.00 H new ATOM 412 N CYS A 29 1.876 0.117 -9.903 1.00 0.00 N ATOM 413 CA CYS A 29 1.537 -0.620 -8.720 1.00 0.00 C ATOM 414 C CYS A 29 0.902 -1.950 -9.054 1.00 0.00 C ATOM 415 O CYS A 29 0.293 -2.114 -10.107 1.00 0.00 O ATOM 416 CB CYS A 29 0.622 0.198 -7.806 1.00 0.00 C ATOM 417 SG CYS A 29 -0.158 -0.751 -6.454 1.00 0.00 S ATOM 0 H CYS A 29 1.206 0.846 -10.148 1.00 0.00 H new ATOM 0 HA CYS A 29 2.466 -0.820 -8.187 1.00 0.00 H new ATOM 0 HB2 CYS A 29 1.201 1.013 -7.372 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -0.162 0.651 -8.412 1.00 0.00 H new ATOM 422 N GLN A 30 1.091 -2.884 -8.171 1.00 0.00 N ATOM 423 CA GLN A 30 0.502 -4.197 -8.238 1.00 0.00 C ATOM 424 C GLN A 30 -0.885 -4.153 -7.608 1.00 0.00 C ATOM 425 O GLN A 30 -1.050 -3.616 -6.516 1.00 0.00 O ATOM 426 CB GLN A 30 1.383 -5.210 -7.489 1.00 0.00 C ATOM 427 CG GLN A 30 0.643 -6.488 -7.103 1.00 0.00 C ATOM 428 CD GLN A 30 1.446 -7.435 -6.253 1.00 0.00 C ATOM 429 OE1 GLN A 30 2.343 -7.040 -5.518 1.00 0.00 O ATOM 430 NE2 GLN A 30 1.089 -8.682 -6.294 1.00 0.00 N ATOM 0 H GLN A 30 1.682 -2.752 -7.350 1.00 0.00 H new ATOM 0 HA GLN A 30 0.423 -4.507 -9.280 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.238 -5.469 -8.114 1.00 0.00 H new ATOM 0 HB3 GLN A 30 1.777 -4.741 -6.588 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -0.267 -6.219 -6.567 1.00 0.00 H new ATOM 0 HG3 GLN A 30 0.336 -7.005 -8.012 1.00 0.00 H new ATOM 0 HE21 GLN A 30 0.338 -8.977 -6.918 1.00 0.00 H new ATOM 0 HE22 GLN A 30 1.560 -9.367 -5.702 1.00 0.00 H new ATOM 439 N ALA A 31 -1.856 -4.705 -8.298 1.00 0.00 N ATOM 440 CA ALA A 31 -3.218 -4.750 -7.820 1.00 0.00 C ATOM 441 C ALA A 31 -3.307 -5.467 -6.487 1.00 0.00 C ATOM 442 O ALA A 31 -2.782 -6.579 -6.325 1.00 0.00 O ATOM 443 CB ALA A 31 -4.117 -5.422 -8.846 1.00 0.00 C ATOM 0 H ALA A 31 -1.722 -5.138 -9.212 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.558 -3.725 -7.673 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.140 -5.448 -8.471 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.087 -4.860 -9.780 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.769 -6.440 -9.023 1.00 0.00 H new ATOM 449 N TRP A 32 -3.978 -4.828 -5.541 1.00 0.00 N ATOM 450 CA TRP A 32 -4.165 -5.343 -4.198 1.00 0.00 C ATOM 451 C TRP A 32 -4.855 -6.700 -4.246 1.00 0.00 C ATOM 452 O TRP A 32 -4.586 -7.595 -3.426 1.00 0.00 O ATOM 453 CB TRP A 32 -5.038 -4.382 -3.387 1.00 0.00 C ATOM 454 CG TRP A 32 -4.519 -2.974 -3.284 1.00 0.00 C ATOM 455 CD1 TRP A 32 -5.025 -1.868 -3.900 1.00 0.00 C ATOM 456 CD2 TRP A 32 -3.413 -2.519 -2.507 1.00 0.00 C ATOM 457 NE1 TRP A 32 -4.305 -0.761 -3.551 1.00 0.00 N ATOM 458 CE2 TRP A 32 -3.309 -1.128 -2.708 1.00 0.00 C ATOM 459 CE3 TRP A 32 -2.502 -3.143 -1.667 1.00 0.00 C ATOM 460 CZ2 TRP A 32 -2.331 -0.358 -2.096 1.00 0.00 C ATOM 461 CZ3 TRP A 32 -1.537 -2.377 -1.065 1.00 0.00 C ATOM 462 CH2 TRP A 32 -1.457 -0.999 -1.281 1.00 0.00 C ATOM 0 H TRP A 32 -4.416 -3.919 -5.691 1.00 0.00 H new ATOM 0 HA TRP A 32 -3.186 -5.444 -3.730 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -6.031 -4.354 -3.835 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -5.154 -4.784 -2.380 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -5.874 -1.867 -4.568 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -4.488 0.189 -3.873 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -2.552 -4.207 -1.491 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -2.268 0.707 -2.262 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -0.822 -2.850 -0.408 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -0.682 -0.432 -0.788 1.00 0.00 H new ATOM 473 N ASP A 33 -5.699 -6.854 -5.239 1.00 0.00 N ATOM 474 CA ASP A 33 -6.489 -8.047 -5.441 1.00 0.00 C ATOM 475 C ASP A 33 -5.737 -9.111 -6.236 1.00 0.00 C ATOM 476 O ASP A 33 -6.292 -10.163 -6.569 1.00 0.00 O ATOM 477 CB ASP A 33 -7.821 -7.693 -6.126 1.00 0.00 C ATOM 478 CG ASP A 33 -7.668 -6.978 -7.460 1.00 0.00 C ATOM 479 OD1 ASP A 33 -7.572 -5.737 -7.463 1.00 0.00 O ATOM 480 OD2 ASP A 33 -7.690 -7.651 -8.522 1.00 0.00 O ATOM 0 H ASP A 33 -5.860 -6.136 -5.946 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.696 -8.473 -4.459 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.391 -8.609 -6.281 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.405 -7.064 -5.455 1.00 0.00 H new ATOM 485 N SER A 34 -4.484 -8.874 -6.509 1.00 0.00 N ATOM 486 CA SER A 34 -3.701 -9.817 -7.232 1.00 0.00 C ATOM 487 C SER A 34 -2.521 -10.262 -6.378 1.00 0.00 C ATOM 488 O SER A 34 -1.776 -9.442 -5.848 1.00 0.00 O ATOM 489 CB SER A 34 -3.220 -9.196 -8.540 1.00 0.00 C ATOM 490 OG SER A 34 -2.535 -10.146 -9.349 1.00 0.00 O ATOM 0 H SER A 34 -3.987 -8.026 -6.236 1.00 0.00 H new ATOM 0 HA SER A 34 -4.308 -10.691 -7.470 1.00 0.00 H new ATOM 0 HB2 SER A 34 -4.073 -8.797 -9.089 1.00 0.00 H new ATOM 0 HB3 SER A 34 -2.559 -8.357 -8.324 1.00 0.00 H new ATOM 0 HG SER A 34 -1.570 -9.987 -9.293 1.00 0.00 H new ATOM 496 N GLN A 35 -2.336 -11.559 -6.259 1.00 0.00 N ATOM 497 CA GLN A 35 -1.247 -12.104 -5.467 1.00 0.00 C ATOM 498 C GLN A 35 -0.017 -12.296 -6.386 1.00 0.00 C ATOM 499 O GLN A 35 1.010 -12.846 -5.997 1.00 0.00 O ATOM 500 CB GLN A 35 -1.673 -13.447 -4.821 1.00 0.00 C ATOM 501 CG GLN A 35 -0.717 -13.959 -3.742 1.00 0.00 C ATOM 502 CD GLN A 35 -0.901 -13.307 -2.362 1.00 0.00 C ATOM 503 OE1 GLN A 35 -1.491 -12.134 -2.293 1.00 0.00 O flip ATOM 504 NE2 GLN A 35 -0.574 -13.913 -1.343 1.00 0.00 N flip ATOM 0 H GLN A 35 -2.928 -12.262 -6.702 1.00 0.00 H new ATOM 0 HA GLN A 35 -0.991 -11.417 -4.661 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -2.665 -13.328 -4.384 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -1.757 -14.202 -5.603 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -0.848 -15.036 -3.641 1.00 0.00 H new ATOM 0 HG3 GLN A 35 0.308 -13.792 -4.074 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -0.117 -14.822 -1.415 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -0.760 -13.506 -0.426 1.00 0.00 H new ATOM 513 N SER A 36 -0.131 -11.794 -7.579 1.00 0.00 N ATOM 514 CA SER A 36 0.886 -11.875 -8.561 1.00 0.00 C ATOM 515 C SER A 36 1.214 -10.441 -8.942 1.00 0.00 C ATOM 516 O SER A 36 0.303 -9.619 -9.069 1.00 0.00 O ATOM 517 CB SER A 36 0.370 -12.671 -9.777 1.00 0.00 C ATOM 518 OG SER A 36 1.384 -12.868 -10.754 1.00 0.00 O ATOM 0 H SER A 36 -0.966 -11.302 -7.897 1.00 0.00 H new ATOM 0 HA SER A 36 1.774 -12.389 -8.194 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.005 -13.639 -9.444 1.00 0.00 H new ATOM 0 HB3 SER A 36 -0.469 -12.141 -10.227 1.00 0.00 H new ATOM 0 HG SER A 36 1.018 -13.377 -11.507 1.00 0.00 H new ATOM 524 N PRO A 37 2.499 -10.090 -9.022 1.00 0.00 N ATOM 525 CA PRO A 37 3.614 -11.069 -8.915 1.00 0.00 C ATOM 526 C PRO A 37 3.995 -11.329 -7.456 1.00 0.00 C ATOM 527 O PRO A 37 4.492 -12.396 -7.095 1.00 0.00 O ATOM 528 CB PRO A 37 4.765 -10.313 -9.596 1.00 0.00 C ATOM 529 CG PRO A 37 4.429 -8.898 -9.322 1.00 0.00 C ATOM 530 CD PRO A 37 2.975 -8.817 -9.589 1.00 0.00 C ATOM 0 HA PRO A 37 3.368 -12.038 -9.348 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.734 -10.588 -9.178 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.809 -10.519 -10.665 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.662 -8.625 -8.293 1.00 0.00 H new ATOM 0 HG3 PRO A 37 4.991 -8.222 -9.966 1.00 0.00 H new ATOM 0 HD2 PRO A 37 2.517 -7.955 -9.104 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.758 -8.736 -10.654 1.00 0.00 H new ATOM 538 N HIS A 38 3.741 -10.343 -6.630 1.00 0.00 N ATOM 539 CA HIS A 38 4.162 -10.368 -5.247 1.00 0.00 C ATOM 540 C HIS A 38 3.126 -10.895 -4.298 1.00 0.00 C ATOM 541 O HIS A 38 1.943 -10.488 -4.339 1.00 0.00 O ATOM 542 CB HIS A 38 4.563 -8.989 -4.780 1.00 0.00 C ATOM 543 CG HIS A 38 5.762 -8.441 -5.432 1.00 0.00 C ATOM 544 ND1 HIS A 38 5.736 -7.322 -6.220 1.00 0.00 N ATOM 545 CD2 HIS A 38 7.047 -8.849 -5.398 1.00 0.00 C ATOM 546 CE1 HIS A 38 6.941 -7.075 -6.640 1.00 0.00 C ATOM 547 NE2 HIS A 38 7.756 -7.983 -6.157 1.00 0.00 N ATOM 0 H HIS A 38 3.236 -9.498 -6.897 1.00 0.00 H new ATOM 0 HA HIS A 38 5.009 -11.053 -5.229 1.00 0.00 H new ATOM 0 HB2 HIS A 38 3.730 -8.307 -4.950 1.00 0.00 H new ATOM 0 HB3 HIS A 38 4.734 -9.021 -3.704 1.00 0.00 H new ATOM 0 HD1 HIS A 38 4.906 -6.772 -6.441 1.00 0.00 H new ATOM 0 HD2 HIS A 38 7.436 -9.705 -4.866 1.00 0.00 H new ATOM 0 HE1 HIS A 38 7.226 -6.255 -7.283 1.00 0.00 H new ATOM 0 HE2 HIS A 38 8.761 -8.028 -6.326 1.00 0.00 H new ATOM 556 N ALA A 39 3.573 -11.760 -3.422 1.00 0.00 N ATOM 557 CA ALA A 39 2.763 -12.266 -2.355 1.00 0.00 C ATOM 558 C ALA A 39 2.613 -11.171 -1.319 1.00 0.00 C ATOM 559 O ALA A 39 3.559 -10.399 -1.073 1.00 0.00 O ATOM 560 CB ALA A 39 3.410 -13.494 -1.738 1.00 0.00 C ATOM 0 H ALA A 39 4.522 -12.134 -3.435 1.00 0.00 H new ATOM 0 HA ALA A 39 1.784 -12.560 -2.733 1.00 0.00 H new ATOM 0 HB1 ALA A 39 2.783 -13.868 -0.928 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.521 -14.268 -2.498 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.391 -13.229 -1.344 1.00 0.00 H new ATOM 566 N HIS A 40 1.436 -11.050 -0.769 1.00 0.00 N ATOM 567 CA HIS A 40 1.154 -10.033 0.221 1.00 0.00 C ATOM 568 C HIS A 40 -0.170 -10.362 0.886 1.00 0.00 C ATOM 569 O HIS A 40 -1.067 -10.895 0.227 1.00 0.00 O ATOM 570 CB HIS A 40 1.115 -8.618 -0.431 1.00 0.00 C ATOM 571 CG HIS A 40 -0.070 -8.347 -1.313 1.00 0.00 C ATOM 572 ND1 HIS A 40 -1.214 -7.708 -1.034 1.00 0.00 N flip ATOM 573 CD2 HIS A 40 -0.190 -8.776 -2.606 1.00 0.00 C flip ATOM 574 CE1 HIS A 40 -2.001 -7.760 -2.127 1.00 0.00 C flip ATOM 575 NE2 HIS A 40 -1.372 -8.408 -3.060 1.00 0.00 N flip ATOM 0 H HIS A 40 0.642 -11.651 -0.991 1.00 0.00 H new ATOM 0 HA HIS A 40 1.946 -10.020 0.970 1.00 0.00 H new ATOM 0 HB2 HIS A 40 1.135 -7.871 0.362 1.00 0.00 H new ATOM 0 HB3 HIS A 40 2.023 -8.483 -1.019 1.00 0.00 H new ATOM 0 HD2 HIS A 40 0.557 -9.324 -3.161 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -2.990 -7.334 -2.212 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -1.734 -8.601 -3.994 1.00 0.00 H new ATOM 584 N GLY A 41 -0.315 -10.015 2.137 1.00 0.00 N ATOM 585 CA GLY A 41 -1.515 -10.344 2.859 1.00 0.00 C ATOM 586 C GLY A 41 -2.547 -9.238 2.878 1.00 0.00 C ATOM 587 O GLY A 41 -3.394 -9.193 3.766 1.00 0.00 O ATOM 0 H GLY A 41 0.383 -9.504 2.678 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.960 -11.234 2.415 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.251 -10.597 3.886 1.00 0.00 H new ATOM 591 N TYR A 42 -2.525 -8.365 1.897 1.00 0.00 N ATOM 592 CA TYR A 42 -3.500 -7.300 1.875 1.00 0.00 C ATOM 593 C TYR A 42 -4.558 -7.716 0.927 1.00 0.00 C ATOM 594 O TYR A 42 -4.527 -7.371 -0.256 1.00 0.00 O ATOM 595 CB TYR A 42 -2.929 -5.921 1.475 1.00 0.00 C ATOM 596 CG TYR A 42 -1.856 -5.359 2.384 1.00 0.00 C ATOM 597 CD1 TYR A 42 -0.602 -5.940 2.468 1.00 0.00 C ATOM 598 CD2 TYR A 42 -2.102 -4.229 3.146 1.00 0.00 C ATOM 599 CE1 TYR A 42 0.373 -5.413 3.283 1.00 0.00 C ATOM 600 CE2 TYR A 42 -1.127 -3.694 3.958 1.00 0.00 C ATOM 601 CZ TYR A 42 0.109 -4.291 4.019 1.00 0.00 C ATOM 602 OH TYR A 42 1.085 -3.767 4.819 1.00 0.00 O ATOM 0 H TYR A 42 -1.861 -8.369 1.123 1.00 0.00 H new ATOM 0 HA TYR A 42 -3.878 -7.156 2.887 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -2.521 -5.997 0.467 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -3.752 -5.207 1.432 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -0.386 -6.822 1.884 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -3.074 -3.760 3.103 1.00 0.00 H new ATOM 0 HE1 TYR A 42 1.343 -5.884 3.341 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -1.333 -2.810 4.544 1.00 0.00 H new ATOM 0 HH TYR A 42 0.843 -2.852 5.074 1.00 0.00 H new ATOM 612 N ILE A 43 -5.379 -8.598 1.401 1.00 0.00 N ATOM 613 CA ILE A 43 -6.451 -9.111 0.615 1.00 0.00 C ATOM 614 C ILE A 43 -7.658 -8.178 0.771 1.00 0.00 C ATOM 615 O ILE A 43 -8.133 -7.953 1.894 1.00 0.00 O ATOM 616 CB ILE A 43 -6.832 -10.536 1.102 1.00 0.00 C ATOM 617 CG1 ILE A 43 -5.564 -11.404 1.310 1.00 0.00 C ATOM 618 CG2 ILE A 43 -7.784 -11.201 0.119 1.00 0.00 C ATOM 619 CD1 ILE A 43 -4.722 -11.640 0.069 1.00 0.00 C ATOM 0 H ILE A 43 -5.324 -8.982 2.344 1.00 0.00 H new ATOM 0 HA ILE A 43 -6.148 -9.166 -0.431 1.00 0.00 H new ATOM 0 HB ILE A 43 -7.340 -10.444 2.062 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -4.940 -10.928 2.066 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.869 -12.371 1.710 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.039 -12.198 0.478 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -8.692 -10.604 0.031 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -7.304 -11.278 -0.857 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -3.861 -12.258 0.325 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -5.321 -12.148 -0.686 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -4.378 -10.684 -0.325 1.00 0.00 H new ATOM 631 N PRO A 44 -8.199 -7.655 -0.341 1.00 0.00 N ATOM 632 CA PRO A 44 -9.343 -6.720 -0.319 1.00 0.00 C ATOM 633 C PRO A 44 -10.635 -7.361 0.171 1.00 0.00 C ATOM 634 O PRO A 44 -11.619 -6.673 0.434 1.00 0.00 O ATOM 635 CB PRO A 44 -9.509 -6.317 -1.783 1.00 0.00 C ATOM 636 CG PRO A 44 -8.219 -6.665 -2.429 1.00 0.00 C ATOM 637 CD PRO A 44 -7.719 -7.875 -1.716 1.00 0.00 C ATOM 0 HA PRO A 44 -9.152 -5.892 0.364 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -10.339 -6.850 -2.247 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -9.722 -5.252 -1.877 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -8.356 -6.866 -3.491 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -7.508 -5.843 -2.349 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -8.121 -8.793 -2.144 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -6.633 -7.952 -1.759 1.00 0.00 H new ATOM 645 N SER A 45 -10.634 -8.663 0.288 1.00 0.00 N ATOM 646 CA SER A 45 -11.787 -9.372 0.723 1.00 0.00 C ATOM 647 C SER A 45 -11.899 -9.262 2.231 1.00 0.00 C ATOM 648 O SER A 45 -12.985 -9.130 2.776 1.00 0.00 O ATOM 649 CB SER A 45 -11.656 -10.822 0.303 1.00 0.00 C ATOM 650 OG SER A 45 -11.335 -10.895 -1.073 1.00 0.00 O ATOM 0 H SER A 45 -9.828 -9.253 0.082 1.00 0.00 H new ATOM 0 HA SER A 45 -12.686 -8.951 0.274 1.00 0.00 H new ATOM 0 HB2 SER A 45 -10.882 -11.313 0.893 1.00 0.00 H new ATOM 0 HB3 SER A 45 -12.588 -11.352 0.497 1.00 0.00 H new ATOM 0 HG SER A 45 -11.250 -11.834 -1.340 1.00 0.00 H new ATOM 656 N LYS A 46 -10.760 -9.265 2.899 1.00 0.00 N ATOM 657 CA LYS A 46 -10.747 -9.225 4.310 1.00 0.00 C ATOM 658 C LYS A 46 -10.665 -7.786 4.815 1.00 0.00 C ATOM 659 O LYS A 46 -11.049 -7.494 5.949 1.00 0.00 O ATOM 660 CB LYS A 46 -9.628 -10.104 4.841 1.00 0.00 C ATOM 661 CG LYS A 46 -8.220 -9.616 4.592 1.00 0.00 C ATOM 662 CD LYS A 46 -7.172 -10.526 5.243 1.00 0.00 C ATOM 663 CE LYS A 46 -7.251 -11.973 4.760 1.00 0.00 C ATOM 664 NZ LYS A 46 -6.213 -12.827 5.384 1.00 0.00 N ATOM 0 H LYS A 46 -9.838 -9.295 2.464 1.00 0.00 H new ATOM 0 HA LYS A 46 -11.685 -9.627 4.693 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -9.765 -10.221 5.916 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -9.731 -11.094 4.397 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.039 -9.565 3.518 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -8.113 -8.604 4.982 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -6.177 -10.133 5.033 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -7.301 -10.503 6.325 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -8.237 -12.377 4.988 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -7.138 -12.000 3.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -6.304 -13.800 5.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.270 -12.458 5.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -6.335 -12.824 6.417 1.00 0.00 H new ATOM 678 N PHE A 47 -10.181 -6.883 3.965 1.00 0.00 N ATOM 679 CA PHE A 47 -10.157 -5.459 4.304 1.00 0.00 C ATOM 680 C PHE A 47 -10.830 -4.643 3.182 1.00 0.00 C ATOM 681 O PHE A 47 -10.157 -3.971 2.397 1.00 0.00 O ATOM 682 CB PHE A 47 -8.725 -4.924 4.537 1.00 0.00 C ATOM 683 CG PHE A 47 -7.897 -5.726 5.510 1.00 0.00 C ATOM 684 CD1 PHE A 47 -8.192 -5.729 6.864 1.00 0.00 C ATOM 685 CD2 PHE A 47 -6.813 -6.469 5.064 1.00 0.00 C ATOM 686 CE1 PHE A 47 -7.429 -6.460 7.754 1.00 0.00 C ATOM 687 CE2 PHE A 47 -6.046 -7.203 5.951 1.00 0.00 C ATOM 688 CZ PHE A 47 -6.355 -7.198 7.297 1.00 0.00 C ATOM 0 H PHE A 47 -9.803 -7.107 3.045 1.00 0.00 H new ATOM 0 HA PHE A 47 -10.705 -5.346 5.240 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -8.205 -4.892 3.580 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -8.791 -3.898 4.898 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -9.029 -5.152 7.228 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -6.565 -6.474 4.013 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -7.672 -6.454 8.806 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -5.206 -7.779 5.591 1.00 0.00 H new ATOM 0 HZ PHE A 47 -5.758 -7.770 7.991 1.00 0.00 H new ATOM 698 N PRO A 48 -12.164 -4.749 3.037 1.00 0.00 N ATOM 699 CA PRO A 48 -12.907 -4.009 2.001 1.00 0.00 C ATOM 700 C PRO A 48 -13.144 -2.569 2.439 1.00 0.00 C ATOM 701 O PRO A 48 -13.371 -1.673 1.636 1.00 0.00 O ATOM 702 CB PRO A 48 -14.236 -4.761 1.972 1.00 0.00 C ATOM 703 CG PRO A 48 -14.420 -5.159 3.389 1.00 0.00 C ATOM 704 CD PRO A 48 -13.072 -5.594 3.851 1.00 0.00 C ATOM 0 HA PRO A 48 -12.392 -3.960 1.042 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -15.051 -4.128 1.621 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -14.197 -5.627 1.311 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -14.791 -4.327 3.987 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -15.147 -5.966 3.480 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -12.935 -5.424 4.919 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -12.906 -6.656 3.673 1.00 0.00 H new ATOM 712 N ASN A 49 -13.057 -2.394 3.731 1.00 0.00 N ATOM 713 CA ASN A 49 -13.328 -1.160 4.440 1.00 0.00 C ATOM 714 C ASN A 49 -12.408 0.002 4.061 1.00 0.00 C ATOM 715 O ASN A 49 -12.786 1.155 4.212 1.00 0.00 O ATOM 716 CB ASN A 49 -13.276 -1.403 5.953 1.00 0.00 C ATOM 717 CG ASN A 49 -11.894 -1.784 6.482 1.00 0.00 C ATOM 718 OD1 ASN A 49 -11.078 -2.392 5.783 1.00 0.00 O ATOM 719 ND2 ASN A 49 -11.630 -1.438 7.710 1.00 0.00 N ATOM 0 H ASN A 49 -12.779 -3.149 4.358 1.00 0.00 H new ATOM 0 HA ASN A 49 -14.329 -0.855 4.136 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -13.612 -0.502 6.466 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -13.980 -2.196 6.206 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -10.726 -1.669 8.122 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -12.327 -0.936 8.260 1.00 0.00 H new ATOM 726 N LYS A 50 -11.213 -0.283 3.584 1.00 0.00 N ATOM 727 CA LYS A 50 -10.317 0.773 3.161 1.00 0.00 C ATOM 728 C LYS A 50 -10.399 0.960 1.639 1.00 0.00 C ATOM 729 O LYS A 50 -9.571 1.650 1.035 1.00 0.00 O ATOM 730 CB LYS A 50 -8.883 0.459 3.604 1.00 0.00 C ATOM 731 CG LYS A 50 -8.675 0.373 5.128 1.00 0.00 C ATOM 732 CD LYS A 50 -9.090 1.665 5.848 1.00 0.00 C ATOM 733 CE LYS A 50 -8.938 1.546 7.370 1.00 0.00 C ATOM 734 NZ LYS A 50 -7.523 1.547 7.830 1.00 0.00 N ATOM 0 H LYS A 50 -10.843 -1.228 3.480 1.00 0.00 H new ATOM 0 HA LYS A 50 -10.620 1.708 3.633 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -8.580 -0.488 3.157 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -8.220 1.226 3.205 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -9.252 -0.462 5.524 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.626 0.164 5.338 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.481 2.494 5.486 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -10.126 1.900 5.604 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.466 2.373 7.845 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -9.419 0.627 7.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -7.472 1.166 8.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -6.951 0.956 7.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -7.156 2.520 7.822 1.00 0.00 H new ATOM 748 N ASN A 51 -11.433 0.336 1.052 1.00 0.00 N ATOM 749 CA ASN A 51 -11.727 0.321 -0.401 1.00 0.00 C ATOM 750 C ASN A 51 -10.501 -0.108 -1.161 1.00 0.00 C ATOM 751 O ASN A 51 -10.157 0.464 -2.177 1.00 0.00 O ATOM 752 CB ASN A 51 -12.192 1.689 -0.938 1.00 0.00 C ATOM 753 CG ASN A 51 -13.035 1.520 -2.203 1.00 0.00 C ATOM 754 OD1 ASN A 51 -13.739 0.520 -2.353 1.00 0.00 O ATOM 755 ND2 ASN A 51 -12.984 2.462 -3.103 1.00 0.00 N ATOM 0 H ASN A 51 -12.117 -0.194 1.592 1.00 0.00 H new ATOM 0 HA ASN A 51 -12.546 -0.384 -0.547 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -12.774 2.205 -0.175 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -11.325 2.313 -1.154 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -13.536 2.382 -3.957 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -12.392 3.279 -2.953 1.00 0.00 H new ATOM 762 N LEU A 52 -9.861 -1.135 -0.681 1.00 0.00 N ATOM 763 CA LEU A 52 -8.606 -1.575 -1.233 1.00 0.00 C ATOM 764 C LEU A 52 -8.836 -2.235 -2.603 1.00 0.00 C ATOM 765 O LEU A 52 -9.098 -3.421 -2.690 1.00 0.00 O ATOM 766 CB LEU A 52 -7.948 -2.536 -0.247 1.00 0.00 C ATOM 767 CG LEU A 52 -6.457 -2.730 -0.391 1.00 0.00 C ATOM 768 CD1 LEU A 52 -5.735 -1.421 -0.105 1.00 0.00 C ATOM 769 CD2 LEU A 52 -5.972 -3.827 0.537 1.00 0.00 C ATOM 0 H LEU A 52 -10.193 -1.694 0.105 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.941 -0.726 -1.389 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.150 -2.180 0.763 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.430 -3.509 -0.345 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.236 -3.033 -1.415 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.660 -1.568 -0.211 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -6.068 -0.660 -0.811 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -5.959 -1.097 0.911 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.896 -3.953 0.420 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -6.195 -3.556 1.569 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -6.476 -4.762 0.290 1.00 0.00 H new ATOM 781 N LYS A 53 -8.822 -1.437 -3.661 1.00 0.00 N ATOM 782 CA LYS A 53 -9.136 -1.944 -4.988 1.00 0.00 C ATOM 783 C LYS A 53 -8.066 -1.619 -5.981 1.00 0.00 C ATOM 784 O LYS A 53 -7.352 -0.622 -5.838 1.00 0.00 O ATOM 785 CB LYS A 53 -10.431 -1.319 -5.527 1.00 0.00 C ATOM 786 CG LYS A 53 -11.668 -1.353 -4.603 1.00 0.00 C ATOM 787 CD LYS A 53 -12.485 -2.659 -4.663 1.00 0.00 C ATOM 788 CE LYS A 53 -11.713 -3.893 -4.228 1.00 0.00 C ATOM 789 NZ LYS A 53 -12.575 -5.076 -4.169 1.00 0.00 N ATOM 0 H LYS A 53 -8.598 -0.442 -3.627 1.00 0.00 H new ATOM 0 HA LYS A 53 -9.234 -3.024 -4.874 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -10.225 -0.278 -5.778 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -10.690 -1.826 -6.457 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -11.341 -1.193 -3.576 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -12.321 -0.520 -4.863 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -13.366 -2.553 -4.031 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -12.840 -2.806 -5.683 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -10.893 -4.074 -4.923 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -11.267 -3.718 -3.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -12.015 -5.899 -3.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -13.343 -4.912 -3.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -12.980 -5.258 -5.109 1.00 0.00 H new ATOM 803 N LYS A 54 -8.008 -2.450 -7.016 1.00 0.00 N ATOM 804 CA LYS A 54 -7.147 -2.245 -8.175 1.00 0.00 C ATOM 805 C LYS A 54 -5.702 -2.112 -7.738 1.00 0.00 C ATOM 806 O LYS A 54 -5.296 -2.681 -6.742 1.00 0.00 O ATOM 807 CB LYS A 54 -7.618 -0.976 -8.934 1.00 0.00 C ATOM 808 CG LYS A 54 -9.070 -0.982 -9.457 1.00 0.00 C ATOM 809 CD LYS A 54 -9.278 -1.925 -10.645 1.00 0.00 C ATOM 810 CE LYS A 54 -9.507 -3.381 -10.260 1.00 0.00 C ATOM 811 NZ LYS A 54 -9.488 -4.250 -11.447 1.00 0.00 N ATOM 0 H LYS A 54 -8.568 -3.300 -7.074 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.214 -3.104 -8.842 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.498 -0.119 -8.271 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.951 -0.819 -9.782 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -9.740 -1.274 -8.648 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -9.348 0.030 -9.751 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -10.133 -1.576 -11.225 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.406 -1.867 -11.296 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -8.736 -3.701 -9.559 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -10.464 -3.479 -9.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -9.646 -5.236 -11.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -10.239 -3.957 -12.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -8.565 -4.172 -11.920 1.00 0.00 H new ATOM 825 N ASN A 55 -4.938 -1.408 -8.499 1.00 0.00 N ATOM 826 CA ASN A 55 -3.571 -1.139 -8.172 1.00 0.00 C ATOM 827 C ASN A 55 -3.439 0.351 -7.877 1.00 0.00 C ATOM 828 O ASN A 55 -2.465 1.002 -8.221 1.00 0.00 O ATOM 829 CB ASN A 55 -2.657 -1.635 -9.317 1.00 0.00 C ATOM 830 CG ASN A 55 -2.865 -0.975 -10.667 1.00 0.00 C ATOM 831 OD1 ASN A 55 -2.060 -0.019 -10.978 1.00 0.00 O flip ATOM 832 ND2 ASN A 55 -3.721 -1.387 -11.453 1.00 0.00 N flip ATOM 0 H ASN A 55 -5.245 -0.995 -9.380 1.00 0.00 H new ATOM 0 HA ASN A 55 -3.252 -1.678 -7.280 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -1.620 -1.486 -9.018 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.804 -2.709 -9.433 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -4.344 -2.146 -11.177 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -3.806 -0.969 -12.379 1.00 0.00 H new ATOM 839 N TYR A 56 -4.461 0.856 -7.198 1.00 0.00 N ATOM 840 CA TYR A 56 -4.572 2.244 -6.794 1.00 0.00 C ATOM 841 C TYR A 56 -3.831 2.458 -5.494 1.00 0.00 C ATOM 842 O TYR A 56 -4.052 1.708 -4.541 1.00 0.00 O ATOM 843 CB TYR A 56 -6.058 2.612 -6.619 1.00 0.00 C ATOM 844 CG TYR A 56 -6.890 2.696 -7.900 1.00 0.00 C ATOM 845 CD1 TYR A 56 -6.298 2.666 -9.167 1.00 0.00 C ATOM 846 CD2 TYR A 56 -8.277 2.839 -7.834 1.00 0.00 C ATOM 847 CE1 TYR A 56 -7.065 2.765 -10.315 1.00 0.00 C ATOM 848 CE2 TYR A 56 -9.042 2.945 -8.987 1.00 0.00 C ATOM 849 CZ TYR A 56 -8.433 2.905 -10.218 1.00 0.00 C ATOM 850 OH TYR A 56 -9.197 2.998 -11.367 1.00 0.00 O ATOM 0 H TYR A 56 -5.258 0.290 -6.906 1.00 0.00 H new ATOM 0 HA TYR A 56 -4.133 2.881 -7.562 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -6.518 1.875 -5.960 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -6.115 3.574 -6.110 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -5.226 2.564 -9.251 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -8.763 2.868 -6.870 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -6.592 2.733 -11.286 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -10.114 3.059 -8.917 1.00 0.00 H new ATOM 0 HH TYR A 56 -10.142 3.091 -11.125 1.00 0.00 H new ATOM 860 N CYS A 57 -3.005 3.494 -5.431 1.00 0.00 N ATOM 861 CA CYS A 57 -2.178 3.726 -4.252 1.00 0.00 C ATOM 862 C CYS A 57 -3.031 4.102 -3.092 1.00 0.00 C ATOM 863 O CYS A 57 -3.777 5.064 -3.153 1.00 0.00 O ATOM 864 CB CYS A 57 -1.153 4.807 -4.487 1.00 0.00 C ATOM 865 SG CYS A 57 0.057 4.442 -5.791 1.00 0.00 S ATOM 0 H CYS A 57 -2.889 4.182 -6.175 1.00 0.00 H new ATOM 0 HA CYS A 57 -1.650 2.796 -4.040 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -1.672 5.731 -4.742 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -0.618 4.989 -3.555 1.00 0.00 H new ATOM 870 N ARG A 58 -2.923 3.364 -2.034 1.00 0.00 N ATOM 871 CA ARG A 58 -3.775 3.560 -0.912 1.00 0.00 C ATOM 872 C ARG A 58 -3.022 3.417 0.375 1.00 0.00 C ATOM 873 O ARG A 58 -1.832 3.103 0.369 1.00 0.00 O ATOM 874 CB ARG A 58 -4.967 2.598 -0.972 1.00 0.00 C ATOM 875 CG ARG A 58 -5.978 2.991 -2.025 1.00 0.00 C ATOM 876 CD ARG A 58 -7.263 2.249 -1.878 1.00 0.00 C ATOM 877 NE ARG A 58 -8.350 2.874 -2.659 1.00 0.00 N ATOM 878 CZ ARG A 58 -8.784 2.475 -3.841 1.00 0.00 C ATOM 879 NH1 ARG A 58 -8.111 1.580 -4.516 1.00 0.00 N ATOM 880 NH2 ARG A 58 -9.876 2.997 -4.348 1.00 0.00 N ATOM 0 H ARG A 58 -2.243 2.611 -1.926 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.159 4.580 -0.949 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.606 1.590 -1.178 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.455 2.569 0.002 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -6.170 4.062 -1.960 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -5.562 2.801 -3.014 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -7.127 1.218 -2.205 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -7.545 2.215 -0.826 1.00 0.00 H new ATOM 0 HE ARG A 58 -8.807 3.688 -2.248 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -7.251 1.190 -4.130 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -8.446 1.272 -5.429 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -10.389 3.710 -3.829 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -10.212 2.690 -5.261 1.00 0.00 H new ATOM 894 N ASN A 59 -3.689 3.690 1.456 1.00 0.00 N ATOM 895 CA ASN A 59 -3.122 3.507 2.769 1.00 0.00 C ATOM 896 C ASN A 59 -4.118 2.752 3.619 1.00 0.00 C ATOM 897 O ASN A 59 -5.007 3.336 4.214 1.00 0.00 O ATOM 898 CB ASN A 59 -2.715 4.841 3.436 1.00 0.00 C ATOM 899 CG ASN A 59 -2.047 4.625 4.791 1.00 0.00 C ATOM 900 OD1 ASN A 59 -1.513 3.566 5.063 1.00 0.00 O ATOM 901 ND2 ASN A 59 -2.021 5.641 5.617 1.00 0.00 N ATOM 0 H ASN A 59 -4.644 4.047 1.458 1.00 0.00 H new ATOM 0 HA ASN A 59 -2.200 2.934 2.672 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -2.034 5.382 2.779 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -3.599 5.466 3.563 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -1.544 5.556 6.515 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -2.477 6.517 5.362 1.00 0.00 H new ATOM 908 N PRO A 60 -4.051 1.425 3.593 1.00 0.00 N ATOM 909 CA PRO A 60 -4.978 0.588 4.334 1.00 0.00 C ATOM 910 C PRO A 60 -4.541 0.336 5.769 1.00 0.00 C ATOM 911 O PRO A 60 -5.347 0.393 6.693 1.00 0.00 O ATOM 912 CB PRO A 60 -4.947 -0.718 3.548 1.00 0.00 C ATOM 913 CG PRO A 60 -3.555 -0.795 2.991 1.00 0.00 C ATOM 914 CD PRO A 60 -3.083 0.625 2.800 1.00 0.00 C ATOM 0 HA PRO A 60 -5.961 1.051 4.420 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -5.164 -1.572 4.190 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -5.692 -0.719 2.753 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -2.895 -1.333 3.672 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -3.547 -1.336 2.045 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -2.063 0.760 3.159 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -3.092 0.912 1.749 1.00 0.00 H new ATOM 922 N ASP A 61 -3.272 0.109 5.931 1.00 0.00 N ATOM 923 CA ASP A 61 -2.663 -0.314 7.170 1.00 0.00 C ATOM 924 C ASP A 61 -2.271 0.818 8.075 1.00 0.00 C ATOM 925 O ASP A 61 -1.706 0.584 9.155 1.00 0.00 O ATOM 926 CB ASP A 61 -1.456 -1.205 6.888 1.00 0.00 C ATOM 927 CG ASP A 61 -0.432 -0.631 5.924 1.00 0.00 C ATOM 928 OD1 ASP A 61 -0.636 0.471 5.366 1.00 0.00 O ATOM 929 OD2 ASP A 61 0.579 -1.318 5.692 1.00 0.00 O ATOM 0 H ASP A 61 -2.598 0.217 5.173 1.00 0.00 H new ATOM 0 HA ASP A 61 -3.428 -0.877 7.705 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -0.958 -1.423 7.833 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.812 -2.155 6.489 1.00 0.00 H new ATOM 934 N ARG A 62 -2.568 2.023 7.656 1.00 0.00 N ATOM 935 CA ARG A 62 -2.292 3.230 8.421 1.00 0.00 C ATOM 936 C ARG A 62 -0.798 3.456 8.532 1.00 0.00 C ATOM 937 O ARG A 62 -0.235 3.608 9.637 1.00 0.00 O ATOM 938 CB ARG A 62 -2.964 3.223 9.818 1.00 0.00 C ATOM 939 CG ARG A 62 -4.467 3.045 9.771 1.00 0.00 C ATOM 940 CD ARG A 62 -5.109 3.173 11.142 1.00 0.00 C ATOM 941 NE ARG A 62 -4.870 4.494 11.735 1.00 0.00 N ATOM 942 CZ ARG A 62 -5.804 5.427 11.963 1.00 0.00 C ATOM 943 NH1 ARG A 62 -7.077 5.221 11.618 1.00 0.00 N ATOM 944 NH2 ARG A 62 -5.452 6.578 12.522 1.00 0.00 N ATOM 0 H ARG A 62 -3.017 2.204 6.758 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.734 4.063 7.875 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -2.531 2.421 10.415 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -2.734 4.159 10.327 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -4.897 3.789 9.101 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -4.701 2.066 9.353 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -6.182 3.001 11.058 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -4.713 2.401 11.802 1.00 0.00 H new ATOM 0 HE ARG A 62 -3.910 4.721 11.996 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -7.350 4.344 11.174 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -7.777 5.941 11.798 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -4.478 6.746 12.774 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -6.156 7.295 12.700 1.00 0.00 H new ATOM 958 N ASP A 63 -0.146 3.407 7.398 1.00 0.00 N ATOM 959 CA ASP A 63 1.254 3.717 7.281 1.00 0.00 C ATOM 960 C ASP A 63 1.390 5.250 7.384 1.00 0.00 C ATOM 961 O ASP A 63 0.393 5.955 7.623 1.00 0.00 O ATOM 962 CB ASP A 63 1.790 3.213 5.927 1.00 0.00 C ATOM 963 CG ASP A 63 3.288 2.987 5.919 1.00 0.00 C ATOM 964 OD1 ASP A 63 4.071 3.964 5.934 1.00 0.00 O ATOM 965 OD2 ASP A 63 3.711 1.817 5.914 1.00 0.00 O ATOM 0 H ASP A 63 -0.583 3.145 6.514 1.00 0.00 H new ATOM 0 HA ASP A 63 1.832 3.231 8.067 1.00 0.00 H new ATOM 0 HB2 ASP A 63 1.288 2.280 5.671 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.535 3.936 5.152 1.00 0.00 H new ATOM 970 N LEU A 64 2.558 5.768 7.176 1.00 0.00 N ATOM 971 CA LEU A 64 2.797 7.185 7.364 1.00 0.00 C ATOM 972 C LEU A 64 2.400 7.975 6.129 1.00 0.00 C ATOM 973 O LEU A 64 2.097 9.174 6.211 1.00 0.00 O ATOM 974 CB LEU A 64 4.263 7.430 7.713 1.00 0.00 C ATOM 975 CG LEU A 64 4.790 6.684 8.945 1.00 0.00 C ATOM 976 CD1 LEU A 64 6.271 6.934 9.124 1.00 0.00 C ATOM 977 CD2 LEU A 64 4.030 7.086 10.200 1.00 0.00 C ATOM 0 H LEU A 64 3.374 5.236 6.873 1.00 0.00 H new ATOM 0 HA LEU A 64 2.178 7.530 8.192 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.873 7.150 6.854 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.406 8.499 7.871 1.00 0.00 H new ATOM 0 HG LEU A 64 4.632 5.618 8.782 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.627 6.397 10.003 1.00 0.00 H new ATOM 0 HD12 LEU A 64 6.808 6.584 8.242 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.446 8.002 9.256 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.427 6.540 11.056 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.145 8.157 10.367 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.973 6.849 10.077 1.00 0.00 H new ATOM 989 N ARG A 65 2.385 7.303 5.010 1.00 0.00 N ATOM 990 CA ARG A 65 2.044 7.887 3.743 1.00 0.00 C ATOM 991 C ARG A 65 1.549 6.772 2.845 1.00 0.00 C ATOM 992 O ARG A 65 2.019 5.646 2.980 1.00 0.00 O ATOM 993 CB ARG A 65 3.290 8.573 3.131 1.00 0.00 C ATOM 994 CG ARG A 65 3.096 9.163 1.738 1.00 0.00 C ATOM 995 CD ARG A 65 4.346 9.900 1.279 1.00 0.00 C ATOM 996 NE ARG A 65 4.204 10.527 -0.057 1.00 0.00 N ATOM 997 CZ ARG A 65 3.428 11.598 -0.359 1.00 0.00 C ATOM 998 NH1 ARG A 65 2.611 12.131 0.549 1.00 0.00 N ATOM 999 NH2 ARG A 65 3.506 12.156 -1.558 1.00 0.00 N ATOM 0 H ARG A 65 2.615 6.311 4.954 1.00 0.00 H new ATOM 0 HA ARG A 65 1.269 8.645 3.858 1.00 0.00 H new ATOM 0 HB2 ARG A 65 3.612 9.369 3.802 1.00 0.00 H new ATOM 0 HB3 ARG A 65 4.100 7.845 3.089 1.00 0.00 H new ATOM 0 HG2 ARG A 65 2.859 8.367 1.032 1.00 0.00 H new ATOM 0 HG3 ARG A 65 2.248 9.847 1.744 1.00 0.00 H new ATOM 0 HD2 ARG A 65 4.593 10.671 2.009 1.00 0.00 H new ATOM 0 HD3 ARG A 65 5.183 9.202 1.257 1.00 0.00 H new ATOM 0 HE ARG A 65 4.740 10.114 -0.821 1.00 0.00 H new ATOM 0 HH11 ARG A 65 2.563 11.734 1.487 1.00 0.00 H new ATOM 0 HH12 ARG A 65 2.034 12.936 0.306 1.00 0.00 H new ATOM 0 HH21 ARG A 65 4.150 11.780 -2.254 1.00 0.00 H new ATOM 0 HH22 ARG A 65 2.922 12.961 -1.785 1.00 0.00 H new ATOM 1013 N PRO A 66 0.532 7.031 1.996 1.00 0.00 N ATOM 1014 CA PRO A 66 0.055 6.060 1.011 1.00 0.00 C ATOM 1015 C PRO A 66 1.171 5.500 0.146 1.00 0.00 C ATOM 1016 O PRO A 66 2.190 6.169 -0.148 1.00 0.00 O ATOM 1017 CB PRO A 66 -0.926 6.859 0.186 1.00 0.00 C ATOM 1018 CG PRO A 66 -1.480 7.792 1.175 1.00 0.00 C ATOM 1019 CD PRO A 66 -0.298 8.248 1.971 1.00 0.00 C ATOM 0 HA PRO A 66 -0.384 5.181 1.483 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -0.436 7.381 -0.636 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -1.698 6.227 -0.253 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -1.979 8.631 0.691 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.220 7.304 1.809 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.216 9.085 1.498 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.579 8.572 2.973 1.00 0.00 H new ATOM 1027 N TRP A 67 0.937 4.337 -0.319 1.00 0.00 N ATOM 1028 CA TRP A 67 1.921 3.538 -0.927 1.00 0.00 C ATOM 1029 C TRP A 67 1.207 2.541 -1.793 1.00 0.00 C ATOM 1030 O TRP A 67 -0.032 2.599 -1.907 1.00 0.00 O ATOM 1031 CB TRP A 67 2.751 2.831 0.184 1.00 0.00 C ATOM 1032 CG TRP A 67 1.911 2.003 1.139 1.00 0.00 C ATOM 1033 CD1 TRP A 67 1.256 2.438 2.267 1.00 0.00 C ATOM 1034 CD2 TRP A 67 1.639 0.609 1.040 1.00 0.00 C ATOM 1035 NE1 TRP A 67 0.587 1.391 2.853 1.00 0.00 N ATOM 1036 CE2 TRP A 67 0.806 0.265 2.119 1.00 0.00 C ATOM 1037 CE3 TRP A 67 2.013 -0.381 0.139 1.00 0.00 C ATOM 1038 CZ2 TRP A 67 0.348 -1.023 2.310 1.00 0.00 C ATOM 1039 CZ3 TRP A 67 1.559 -1.655 0.334 1.00 0.00 C ATOM 1040 CH2 TRP A 67 0.732 -1.967 1.412 1.00 0.00 C ATOM 0 H TRP A 67 0.017 3.898 -0.285 1.00 0.00 H new ATOM 0 HA TRP A 67 2.608 4.126 -1.536 1.00 0.00 H new ATOM 0 HB2 TRP A 67 3.494 2.186 -0.285 1.00 0.00 H new ATOM 0 HB3 TRP A 67 3.296 3.584 0.753 1.00 0.00 H new ATOM 0 HD1 TRP A 67 1.266 3.452 2.637 1.00 0.00 H new ATOM 0 HE1 TRP A 67 0.020 1.448 3.699 1.00 0.00 H new ATOM 0 HE3 TRP A 67 2.651 -0.147 -0.700 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -0.293 -1.271 3.143 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 1.846 -2.433 -0.358 1.00 0.00 H new ATOM 0 HH2 TRP A 67 0.388 -2.983 1.536 1.00 0.00 H new ATOM 1051 N CYS A 68 1.942 1.656 -2.395 1.00 0.00 N ATOM 1052 CA CYS A 68 1.365 0.645 -3.207 1.00 0.00 C ATOM 1053 C CYS A 68 2.432 -0.402 -3.454 1.00 0.00 C ATOM 1054 O CYS A 68 3.630 -0.134 -3.215 1.00 0.00 O ATOM 1055 CB CYS A 68 0.891 1.258 -4.519 1.00 0.00 C ATOM 1056 SG CYS A 68 -0.693 0.622 -5.107 1.00 0.00 S ATOM 0 H CYS A 68 2.959 1.620 -2.333 1.00 0.00 H new ATOM 0 HA CYS A 68 0.503 0.189 -2.720 1.00 0.00 H new ATOM 0 HB2 CYS A 68 0.812 2.338 -4.394 1.00 0.00 H new ATOM 0 HB3 CYS A 68 1.647 1.080 -5.284 1.00 0.00 H new ATOM 1061 N PHE A 69 2.038 -1.582 -3.874 1.00 0.00 N ATOM 1062 CA PHE A 69 3.012 -2.615 -4.174 1.00 0.00 C ATOM 1063 C PHE A 69 3.570 -2.419 -5.559 1.00 0.00 C ATOM 1064 O PHE A 69 2.894 -1.900 -6.420 1.00 0.00 O ATOM 1065 CB PHE A 69 2.421 -4.005 -4.028 1.00 0.00 C ATOM 1066 CG PHE A 69 2.315 -4.475 -2.613 1.00 0.00 C ATOM 1067 CD1 PHE A 69 3.449 -4.890 -1.933 1.00 0.00 C ATOM 1068 CD2 PHE A 69 1.103 -4.500 -1.961 1.00 0.00 C ATOM 1069 CE1 PHE A 69 3.373 -5.322 -0.629 1.00 0.00 C ATOM 1070 CE2 PHE A 69 1.018 -4.931 -0.655 1.00 0.00 C ATOM 1071 CZ PHE A 69 2.154 -5.342 0.013 1.00 0.00 C ATOM 0 H PHE A 69 1.065 -1.852 -4.015 1.00 0.00 H new ATOM 0 HA PHE A 69 3.822 -2.528 -3.450 1.00 0.00 H new ATOM 0 HB2 PHE A 69 1.429 -4.016 -4.479 1.00 0.00 H new ATOM 0 HB3 PHE A 69 3.034 -4.710 -4.589 1.00 0.00 H new ATOM 0 HD1 PHE A 69 4.406 -4.874 -2.434 1.00 0.00 H new ATOM 0 HD2 PHE A 69 0.211 -4.179 -2.478 1.00 0.00 H new ATOM 0 HE1 PHE A 69 4.264 -5.644 -0.111 1.00 0.00 H new ATOM 0 HE2 PHE A 69 0.062 -4.947 -0.153 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.087 -5.679 1.037 1.00 0.00 H new ATOM 1081 N THR A 70 4.790 -2.806 -5.779 1.00 0.00 N ATOM 1082 CA THR A 70 5.389 -2.615 -7.056 1.00 0.00 C ATOM 1083 C THR A 70 5.084 -3.795 -7.990 1.00 0.00 C ATOM 1084 O THR A 70 4.935 -4.939 -7.540 1.00 0.00 O ATOM 1085 CB THR A 70 6.905 -2.503 -6.907 1.00 0.00 C ATOM 1086 OG1 THR A 70 7.221 -2.023 -5.597 1.00 0.00 O ATOM 1087 CG2 THR A 70 7.444 -1.521 -7.912 1.00 0.00 C ATOM 0 H THR A 70 5.388 -3.257 -5.086 1.00 0.00 H new ATOM 0 HA THR A 70 4.977 -1.700 -7.482 1.00 0.00 H new ATOM 0 HB THR A 70 7.349 -3.485 -7.069 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.128 -1.653 -5.594 1.00 0.00 H new ATOM 0 HG21 THR A 70 8.526 -1.444 -7.802 1.00 0.00 H new ATOM 0 HG22 THR A 70 7.205 -1.863 -8.919 1.00 0.00 H new ATOM 0 HG23 THR A 70 6.992 -0.543 -7.744 1.00 0.00 H new ATOM 1095 N THR A 71 4.976 -3.511 -9.276 1.00 0.00 N ATOM 1096 CA THR A 71 4.842 -4.520 -10.278 1.00 0.00 C ATOM 1097 C THR A 71 6.249 -5.089 -10.623 1.00 0.00 C ATOM 1098 O THR A 71 6.381 -6.118 -11.279 1.00 0.00 O ATOM 1099 CB THR A 71 4.170 -3.899 -11.531 1.00 0.00 C ATOM 1100 OG1 THR A 71 2.912 -3.345 -11.154 1.00 0.00 O ATOM 1101 CG2 THR A 71 3.924 -4.914 -12.602 1.00 0.00 C ATOM 0 H THR A 71 4.980 -2.560 -9.644 1.00 0.00 H new ATOM 0 HA THR A 71 4.219 -5.338 -9.916 1.00 0.00 H new ATOM 0 HB THR A 71 4.846 -3.139 -11.923 1.00 0.00 H new ATOM 0 HG1 THR A 71 3.056 -2.589 -10.547 1.00 0.00 H new ATOM 0 HG21 THR A 71 3.452 -4.432 -13.459 1.00 0.00 H new ATOM 0 HG22 THR A 71 4.872 -5.355 -12.910 1.00 0.00 H new ATOM 0 HG23 THR A 71 3.268 -5.696 -12.219 1.00 0.00 H new ATOM 1109 N ASP A 72 7.297 -4.414 -10.148 1.00 0.00 N ATOM 1110 CA ASP A 72 8.657 -4.859 -10.389 1.00 0.00 C ATOM 1111 C ASP A 72 9.002 -5.922 -9.375 1.00 0.00 C ATOM 1112 O ASP A 72 9.020 -5.633 -8.197 1.00 0.00 O ATOM 1113 CB ASP A 72 9.637 -3.703 -10.251 1.00 0.00 C ATOM 1114 CG ASP A 72 11.041 -4.122 -10.592 1.00 0.00 C ATOM 1115 OD1 ASP A 72 11.769 -4.633 -9.712 1.00 0.00 O ATOM 1116 OD2 ASP A 72 11.437 -3.967 -11.763 1.00 0.00 O ATOM 0 H ASP A 72 7.223 -3.559 -9.596 1.00 0.00 H new ATOM 0 HA ASP A 72 8.728 -5.254 -11.402 1.00 0.00 H new ATOM 0 HB2 ASP A 72 9.332 -2.887 -10.905 1.00 0.00 H new ATOM 0 HB3 ASP A 72 9.609 -3.321 -9.230 1.00 0.00 H new ATOM 1121 N PRO A 73 9.253 -7.164 -9.815 1.00 0.00 N ATOM 1122 CA PRO A 73 9.538 -8.312 -8.935 1.00 0.00 C ATOM 1123 C PRO A 73 10.618 -8.074 -7.874 1.00 0.00 C ATOM 1124 O PRO A 73 10.492 -8.562 -6.748 1.00 0.00 O ATOM 1125 CB PRO A 73 9.979 -9.402 -9.903 1.00 0.00 C ATOM 1126 CG PRO A 73 9.293 -9.077 -11.152 1.00 0.00 C ATOM 1127 CD PRO A 73 9.246 -7.581 -11.227 1.00 0.00 C ATOM 0 HA PRO A 73 8.657 -8.552 -8.341 1.00 0.00 H new ATOM 0 HB2 PRO A 73 11.061 -9.404 -10.033 1.00 0.00 H new ATOM 0 HB3 PRO A 73 9.699 -10.392 -9.542 1.00 0.00 H new ATOM 0 HG2 PRO A 73 9.825 -9.493 -12.008 1.00 0.00 H new ATOM 0 HG3 PRO A 73 8.288 -9.499 -11.165 1.00 0.00 H new ATOM 0 HD2 PRO A 73 10.103 -7.179 -11.768 1.00 0.00 H new ATOM 0 HD3 PRO A 73 8.351 -7.233 -11.743 1.00 0.00 H new ATOM 1135 N ASN A 74 11.626 -7.306 -8.200 1.00 0.00 N ATOM 1136 CA ASN A 74 12.760 -7.105 -7.289 1.00 0.00 C ATOM 1137 C ASN A 74 12.433 -6.047 -6.232 1.00 0.00 C ATOM 1138 O ASN A 74 13.073 -5.977 -5.180 1.00 0.00 O ATOM 1139 CB ASN A 74 14.012 -6.707 -8.084 1.00 0.00 C ATOM 1140 CG ASN A 74 15.320 -6.849 -7.300 1.00 0.00 C ATOM 1141 OD1 ASN A 74 15.775 -5.924 -6.627 1.00 0.00 O ATOM 1142 ND2 ASN A 74 15.947 -7.995 -7.408 1.00 0.00 N ATOM 0 H ASN A 74 11.699 -6.804 -9.085 1.00 0.00 H new ATOM 0 HA ASN A 74 12.957 -8.044 -6.772 1.00 0.00 H new ATOM 0 HB2 ASN A 74 14.070 -7.322 -8.982 1.00 0.00 H new ATOM 0 HB3 ASN A 74 13.908 -5.673 -8.412 1.00 0.00 H new ATOM 0 HD21 ASN A 74 16.835 -8.138 -6.927 1.00 0.00 H new ATOM 0 HD22 ASN A 74 15.547 -8.744 -7.973 1.00 0.00 H new ATOM 1149 N LYS A 75 11.430 -5.240 -6.502 1.00 0.00 N ATOM 1150 CA LYS A 75 11.023 -4.198 -5.585 1.00 0.00 C ATOM 1151 C LYS A 75 9.812 -4.710 -4.820 1.00 0.00 C ATOM 1152 O LYS A 75 8.921 -5.284 -5.417 1.00 0.00 O ATOM 1153 CB LYS A 75 10.636 -2.940 -6.369 1.00 0.00 C ATOM 1154 CG LYS A 75 10.888 -1.628 -5.629 1.00 0.00 C ATOM 1155 CD LYS A 75 12.369 -1.477 -5.281 1.00 0.00 C ATOM 1156 CE LYS A 75 12.713 -0.092 -4.767 1.00 0.00 C ATOM 1157 NZ LYS A 75 12.569 0.942 -5.820 1.00 0.00 N ATOM 0 H LYS A 75 10.877 -5.287 -7.358 1.00 0.00 H new ATOM 0 HA LYS A 75 11.836 -3.948 -4.904 1.00 0.00 H new ATOM 0 HB2 LYS A 75 11.192 -2.926 -7.306 1.00 0.00 H new ATOM 0 HB3 LYS A 75 9.579 -2.999 -6.627 1.00 0.00 H new ATOM 0 HG2 LYS A 75 10.568 -0.789 -6.247 1.00 0.00 H new ATOM 0 HG3 LYS A 75 10.291 -1.599 -4.718 1.00 0.00 H new ATOM 0 HD2 LYS A 75 12.638 -2.217 -4.527 1.00 0.00 H new ATOM 0 HD3 LYS A 75 12.969 -1.691 -6.165 1.00 0.00 H new ATOM 0 HE2 LYS A 75 12.065 0.154 -3.926 1.00 0.00 H new ATOM 0 HE3 LYS A 75 13.737 -0.088 -4.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 12.764 1.880 -5.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 13.242 0.750 -6.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 11.599 0.922 -6.196 1.00 0.00 H new ATOM 1171 N ARG A 76 9.762 -4.524 -3.528 1.00 0.00 N ATOM 1172 CA ARG A 76 8.627 -5.041 -2.777 1.00 0.00 C ATOM 1173 C ARG A 76 7.480 -4.046 -2.856 1.00 0.00 C ATOM 1174 O ARG A 76 6.401 -4.359 -3.368 1.00 0.00 O ATOM 1175 CB ARG A 76 8.989 -5.323 -1.309 1.00 0.00 C ATOM 1176 CG ARG A 76 7.920 -6.122 -0.541 1.00 0.00 C ATOM 1177 CD ARG A 76 7.804 -7.555 -1.067 1.00 0.00 C ATOM 1178 NE ARG A 76 6.763 -8.346 -0.368 1.00 0.00 N ATOM 1179 CZ ARG A 76 6.977 -9.540 0.244 1.00 0.00 C ATOM 1180 NH1 ARG A 76 8.214 -10.025 0.371 1.00 0.00 N ATOM 1181 NH2 ARG A 76 5.951 -10.235 0.734 1.00 0.00 N ATOM 0 H ARG A 76 10.467 -4.034 -2.977 1.00 0.00 H new ATOM 0 HA ARG A 76 8.328 -5.990 -3.221 1.00 0.00 H new ATOM 0 HB2 ARG A 76 9.930 -5.872 -1.277 1.00 0.00 H new ATOM 0 HB3 ARG A 76 9.155 -4.375 -0.798 1.00 0.00 H new ATOM 0 HG2 ARG A 76 8.171 -6.142 0.519 1.00 0.00 H new ATOM 0 HG3 ARG A 76 6.956 -5.621 -0.631 1.00 0.00 H new ATOM 0 HD2 ARG A 76 7.577 -7.528 -2.133 1.00 0.00 H new ATOM 0 HD3 ARG A 76 8.766 -8.055 -0.959 1.00 0.00 H new ATOM 0 HE ARG A 76 5.817 -7.966 -0.345 1.00 0.00 H new ATOM 0 HH11 ARG A 76 9.008 -9.498 0.007 1.00 0.00 H new ATOM 0 HH12 ARG A 76 8.365 -10.922 0.832 1.00 0.00 H new ATOM 0 HH21 ARG A 76 5.002 -9.871 0.650 1.00 0.00 H new ATOM 0 HH22 ARG A 76 6.115 -11.131 1.193 1.00 0.00 H new ATOM 1195 N TRP A 77 7.736 -2.857 -2.382 1.00 0.00 N ATOM 1196 CA TRP A 77 6.756 -1.783 -2.382 1.00 0.00 C ATOM 1197 C TRP A 77 7.467 -0.472 -2.329 1.00 0.00 C ATOM 1198 O TRP A 77 8.654 -0.415 -1.976 1.00 0.00 O ATOM 1199 CB TRP A 77 5.806 -1.867 -1.156 1.00 0.00 C ATOM 1200 CG TRP A 77 6.523 -1.836 0.180 1.00 0.00 C ATOM 1201 CD1 TRP A 77 6.967 -2.900 0.897 1.00 0.00 C ATOM 1202 CD2 TRP A 77 6.883 -0.671 0.946 1.00 0.00 C ATOM 1203 NE1 TRP A 77 7.609 -2.473 2.031 1.00 0.00 N ATOM 1204 CE2 TRP A 77 7.565 -1.116 2.087 1.00 0.00 C ATOM 1205 CE3 TRP A 77 6.705 0.702 0.766 1.00 0.00 C ATOM 1206 CZ2 TRP A 77 8.066 -0.244 3.043 1.00 0.00 C ATOM 1207 CZ3 TRP A 77 7.200 1.564 1.713 1.00 0.00 C ATOM 1208 CH2 TRP A 77 7.874 1.089 2.839 1.00 0.00 C ATOM 0 H TRP A 77 8.636 -2.595 -1.979 1.00 0.00 H new ATOM 0 HA TRP A 77 6.162 -1.877 -3.291 1.00 0.00 H new ATOM 0 HB2 TRP A 77 5.100 -1.037 -1.198 1.00 0.00 H new ATOM 0 HB3 TRP A 77 5.223 -2.785 -1.223 1.00 0.00 H new ATOM 0 HD1 TRP A 77 6.834 -3.934 0.615 1.00 0.00 H new ATOM 0 HE1 TRP A 77 8.050 -3.079 2.723 1.00 0.00 H new ATOM 0 HE3 TRP A 77 6.187 1.079 -0.103 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 8.588 -0.608 3.915 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 7.066 2.628 1.584 1.00 0.00 H new ATOM 0 HH2 TRP A 77 8.252 1.794 3.565 1.00 0.00 H new ATOM 1219 N GLU A 78 6.741 0.567 -2.621 1.00 0.00 N ATOM 1220 CA GLU A 78 7.223 1.936 -2.515 1.00 0.00 C ATOM 1221 C GLU A 78 6.076 2.844 -2.177 1.00 0.00 C ATOM 1222 O GLU A 78 4.906 2.475 -2.349 1.00 0.00 O ATOM 1223 CB GLU A 78 7.959 2.455 -3.777 1.00 0.00 C ATOM 1224 CG GLU A 78 9.287 1.778 -4.025 1.00 0.00 C ATOM 1225 CD GLU A 78 10.121 2.411 -5.090 1.00 0.00 C ATOM 1226 OE1 GLU A 78 9.986 2.044 -6.263 1.00 0.00 O ATOM 1227 OE2 GLU A 78 11.022 3.202 -4.758 1.00 0.00 O ATOM 0 H GLU A 78 5.777 0.498 -2.947 1.00 0.00 H new ATOM 0 HA GLU A 78 7.969 1.937 -1.720 1.00 0.00 H new ATOM 0 HB2 GLU A 78 7.318 2.309 -4.647 1.00 0.00 H new ATOM 0 HB3 GLU A 78 8.121 3.528 -3.677 1.00 0.00 H new ATOM 0 HG2 GLU A 78 9.855 1.770 -3.095 1.00 0.00 H new ATOM 0 HG3 GLU A 78 9.104 0.738 -4.296 1.00 0.00 H new ATOM 1234 N TYR A 79 6.400 4.009 -1.665 1.00 0.00 N ATOM 1235 CA TYR A 79 5.418 5.004 -1.376 1.00 0.00 C ATOM 1236 C TYR A 79 4.892 5.584 -2.659 1.00 0.00 C ATOM 1237 O TYR A 79 5.543 5.508 -3.703 1.00 0.00 O ATOM 1238 CB TYR A 79 5.991 6.103 -0.475 1.00 0.00 C ATOM 1239 CG TYR A 79 6.150 5.682 0.963 1.00 0.00 C ATOM 1240 CD1 TYR A 79 5.078 5.764 1.826 1.00 0.00 C ATOM 1241 CD2 TYR A 79 7.353 5.201 1.460 1.00 0.00 C ATOM 1242 CE1 TYR A 79 5.180 5.382 3.138 1.00 0.00 C ATOM 1243 CE2 TYR A 79 7.466 4.816 2.787 1.00 0.00 C ATOM 1244 CZ TYR A 79 6.368 4.912 3.618 1.00 0.00 C ATOM 1245 OH TYR A 79 6.451 4.511 4.928 1.00 0.00 O ATOM 0 H TYR A 79 7.356 4.285 -1.440 1.00 0.00 H new ATOM 0 HA TYR A 79 4.596 4.535 -0.835 1.00 0.00 H new ATOM 0 HB2 TYR A 79 6.961 6.411 -0.864 1.00 0.00 H new ATOM 0 HB3 TYR A 79 5.338 6.975 -0.520 1.00 0.00 H new ATOM 0 HD1 TYR A 79 4.134 6.139 1.459 1.00 0.00 H new ATOM 0 HD2 TYR A 79 8.210 5.126 0.807 1.00 0.00 H new ATOM 0 HE1 TYR A 79 4.322 5.453 3.791 1.00 0.00 H new ATOM 0 HE2 TYR A 79 8.406 4.444 3.168 1.00 0.00 H new ATOM 0 HH TYR A 79 5.552 4.478 5.318 1.00 0.00 H new ATOM 1255 N CYS A 80 3.742 6.120 -2.596 1.00 0.00 N ATOM 1256 CA CYS A 80 3.124 6.725 -3.728 1.00 0.00 C ATOM 1257 C CYS A 80 3.074 8.205 -3.531 1.00 0.00 C ATOM 1258 O CYS A 80 2.655 8.679 -2.465 1.00 0.00 O ATOM 1259 CB CYS A 80 1.751 6.117 -3.945 1.00 0.00 C ATOM 1260 SG CYS A 80 1.806 4.496 -4.769 1.00 0.00 S ATOM 0 H CYS A 80 3.182 6.158 -1.745 1.00 0.00 H new ATOM 0 HA CYS A 80 3.705 6.535 -4.630 1.00 0.00 H new ATOM 0 HB2 CYS A 80 1.252 6.011 -2.982 1.00 0.00 H new ATOM 0 HB3 CYS A 80 1.148 6.801 -4.543 1.00 0.00 H new ATOM 1265 N ASP A 81 3.507 8.957 -4.523 1.00 0.00 N ATOM 1266 CA ASP A 81 3.582 10.373 -4.346 1.00 0.00 C ATOM 1267 C ASP A 81 2.289 11.015 -4.722 1.00 0.00 C ATOM 1268 O ASP A 81 2.050 11.380 -5.872 1.00 0.00 O ATOM 1269 CB ASP A 81 4.746 11.027 -5.085 1.00 0.00 C ATOM 1270 CG ASP A 81 4.962 12.453 -4.613 1.00 0.00 C ATOM 1271 OD1 ASP A 81 5.516 12.626 -3.521 1.00 0.00 O ATOM 1272 OD2 ASP A 81 4.563 13.427 -5.297 1.00 0.00 O ATOM 0 H ASP A 81 3.804 8.612 -5.436 1.00 0.00 H new ATOM 0 HA ASP A 81 3.775 10.536 -3.286 1.00 0.00 H new ATOM 0 HB2 ASP A 81 5.654 10.446 -4.925 1.00 0.00 H new ATOM 0 HB3 ASP A 81 4.549 11.022 -6.157 1.00 0.00 H new ATOM 1277 N ILE A 82 1.436 11.078 -3.763 1.00 0.00 N ATOM 1278 CA ILE A 82 0.169 11.691 -3.922 1.00 0.00 C ATOM 1279 C ILE A 82 0.302 13.153 -3.551 1.00 0.00 C ATOM 1280 O ILE A 82 0.980 13.481 -2.547 1.00 0.00 O ATOM 1281 CB ILE A 82 -0.897 10.996 -3.025 1.00 0.00 C ATOM 1282 CG1 ILE A 82 -0.972 9.507 -3.392 1.00 0.00 C ATOM 1283 CG2 ILE A 82 -2.275 11.662 -3.173 1.00 0.00 C ATOM 1284 CD1 ILE A 82 -1.972 8.714 -2.592 1.00 0.00 C ATOM 0 H ILE A 82 1.603 10.698 -2.831 1.00 0.00 H new ATOM 0 HA ILE A 82 -0.161 11.595 -4.956 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.599 11.099 -1.982 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -1.221 9.419 -4.450 1.00 0.00 H new ATOM 0 HG13 ILE A 82 0.015 9.063 -3.258 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -2.996 11.153 -2.534 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -2.206 12.710 -2.880 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -2.601 11.597 -4.211 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.957 7.674 -2.919 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.715 8.766 -1.534 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.969 9.127 -2.744 1.00 0.00 H new ATOM 1494 N ALA B 108 -4.535 -3.427 13.205 1.00 0.00 N ATOM 1495 CA ALA B 108 -3.443 -4.037 13.925 1.00 0.00 C ATOM 1496 C ALA B 108 -2.983 -5.314 13.236 1.00 0.00 C ATOM 1497 O ALA B 108 -1.815 -5.695 13.321 1.00 0.00 O ATOM 1498 CB ALA B 108 -3.824 -4.294 15.347 1.00 0.00 C ATOM 0 HA ALA B 108 -2.604 -3.341 13.925 1.00 0.00 H new ATOM 0 HB1 ALA B 108 -2.986 -4.754 15.871 1.00 0.00 H new ATOM 0 HB2 ALA B 108 -4.081 -3.352 15.831 1.00 0.00 H new ATOM 0 HB3 ALA B 108 -4.683 -4.964 15.378 1.00 0.00 H new ATOM 1504 N GLU B 109 -3.906 -5.980 12.558 1.00 0.00 N ATOM 1505 CA GLU B 109 -3.553 -7.124 11.723 1.00 0.00 C ATOM 1506 C GLU B 109 -2.723 -6.572 10.573 1.00 0.00 C ATOM 1507 O GLU B 109 -1.604 -7.028 10.292 1.00 0.00 O ATOM 1508 CB GLU B 109 -4.825 -7.799 11.188 1.00 0.00 C ATOM 1509 CG GLU B 109 -4.571 -9.024 10.323 1.00 0.00 C ATOM 1510 CD GLU B 109 -3.951 -10.162 11.089 1.00 0.00 C ATOM 1511 OE1 GLU B 109 -2.727 -10.199 11.246 1.00 0.00 O ATOM 1512 OE2 GLU B 109 -4.691 -11.063 11.555 1.00 0.00 O ATOM 0 H GLU B 109 -4.900 -5.752 12.568 1.00 0.00 H new ATOM 0 HA GLU B 109 -2.997 -7.873 12.287 1.00 0.00 H new ATOM 0 HB2 GLU B 109 -5.450 -8.089 12.032 1.00 0.00 H new ATOM 0 HB3 GLU B 109 -5.391 -7.071 10.608 1.00 0.00 H new ATOM 0 HG2 GLU B 109 -5.513 -9.356 9.887 1.00 0.00 H new ATOM 0 HG3 GLU B 109 -3.916 -8.749 9.496 1.00 0.00 H new ATOM 1519 N LEU B 110 -3.264 -5.519 9.979 1.00 0.00 N ATOM 1520 CA LEU B 110 -2.616 -4.748 8.936 1.00 0.00 C ATOM 1521 C LEU B 110 -1.272 -4.218 9.404 1.00 0.00 C ATOM 1522 O LEU B 110 -0.346 -4.124 8.634 1.00 0.00 O ATOM 1523 CB LEU B 110 -3.522 -3.591 8.525 1.00 0.00 C ATOM 1524 CG LEU B 110 -4.692 -3.935 7.605 1.00 0.00 C ATOM 1525 CD1 LEU B 110 -5.671 -2.777 7.527 1.00 0.00 C ATOM 1526 CD2 LEU B 110 -4.173 -4.256 6.216 1.00 0.00 C ATOM 0 H LEU B 110 -4.192 -5.170 10.218 1.00 0.00 H new ATOM 0 HA LEU B 110 -2.440 -5.398 8.079 1.00 0.00 H new ATOM 0 HB2 LEU B 110 -3.922 -3.133 9.430 1.00 0.00 H new ATOM 0 HB3 LEU B 110 -2.909 -2.837 8.031 1.00 0.00 H new ATOM 0 HG LEU B 110 -5.210 -4.803 8.013 1.00 0.00 H new ATOM 0 HD11 LEU B 110 -6.497 -3.042 6.867 1.00 0.00 H new ATOM 0 HD12 LEU B 110 -6.058 -2.560 8.523 1.00 0.00 H new ATOM 0 HD13 LEU B 110 -5.162 -1.896 7.135 1.00 0.00 H new ATOM 0 HD21 LEU B 110 -5.010 -4.501 5.562 1.00 0.00 H new ATOM 0 HD22 LEU B 110 -3.642 -3.392 5.817 1.00 0.00 H new ATOM 0 HD23 LEU B 110 -3.493 -5.106 6.269 1.00 0.00 H new ATOM 1538 N GLN B 111 -1.182 -3.914 10.679 1.00 0.00 N ATOM 1539 CA GLN B 111 0.032 -3.410 11.298 1.00 0.00 C ATOM 1540 C GLN B 111 1.157 -4.414 11.206 1.00 0.00 C ATOM 1541 O GLN B 111 2.281 -4.046 10.939 1.00 0.00 O ATOM 1542 CB GLN B 111 -0.246 -3.050 12.748 1.00 0.00 C ATOM 1543 CG GLN B 111 0.915 -2.501 13.551 1.00 0.00 C ATOM 1544 CD GLN B 111 0.437 -1.979 14.890 1.00 0.00 C ATOM 1545 OE1 GLN B 111 -0.687 -1.488 15.008 1.00 0.00 O ATOM 1546 NE2 GLN B 111 1.242 -2.121 15.901 1.00 0.00 N ATOM 0 H GLN B 111 -1.962 -4.010 11.330 1.00 0.00 H new ATOM 0 HA GLN B 111 0.348 -2.517 10.759 1.00 0.00 H new ATOM 0 HB2 GLN B 111 -1.050 -2.314 12.767 1.00 0.00 H new ATOM 0 HB3 GLN B 111 -0.617 -3.941 13.254 1.00 0.00 H new ATOM 0 HG2 GLN B 111 1.660 -3.282 13.704 1.00 0.00 H new ATOM 0 HG3 GLN B 111 1.402 -1.700 12.995 1.00 0.00 H new ATOM 0 HE21 GLN B 111 2.165 -2.532 15.764 1.00 0.00 H new ATOM 0 HE22 GLN B 111 0.950 -1.821 16.831 1.00 0.00 H new ATOM 1555 N ARG B 112 0.849 -5.679 11.373 1.00 0.00 N ATOM 1556 CA ARG B 112 1.880 -6.700 11.336 1.00 0.00 C ATOM 1557 C ARG B 112 2.303 -6.936 9.899 1.00 0.00 C ATOM 1558 O ARG B 112 3.462 -7.216 9.624 1.00 0.00 O ATOM 1559 CB ARG B 112 1.388 -7.981 11.954 1.00 0.00 C ATOM 1560 CG ARG B 112 2.518 -8.841 12.475 1.00 0.00 C ATOM 1561 CD ARG B 112 2.014 -10.128 13.059 1.00 0.00 C ATOM 1562 NE ARG B 112 3.089 -10.890 13.693 1.00 0.00 N ATOM 1563 CZ ARG B 112 3.292 -12.205 13.556 1.00 0.00 C ATOM 1564 NH1 ARG B 112 2.595 -12.908 12.662 1.00 0.00 N ATOM 1565 NH2 ARG B 112 4.239 -12.798 14.272 1.00 0.00 N ATOM 0 H ARG B 112 -0.096 -6.028 11.534 1.00 0.00 H new ATOM 0 HA ARG B 112 2.738 -6.357 11.915 1.00 0.00 H new ATOM 0 HB2 ARG B 112 0.706 -7.748 12.771 1.00 0.00 H new ATOM 0 HB3 ARG B 112 0.819 -8.543 11.214 1.00 0.00 H new ATOM 0 HG2 ARG B 112 3.214 -9.057 11.664 1.00 0.00 H new ATOM 0 HG3 ARG B 112 3.074 -8.290 13.234 1.00 0.00 H new ATOM 0 HD2 ARG B 112 1.237 -9.915 13.793 1.00 0.00 H new ATOM 0 HD3 ARG B 112 1.555 -10.729 12.274 1.00 0.00 H new ATOM 0 HE ARG B 112 3.738 -10.376 14.289 1.00 0.00 H new ATOM 0 HH11 ARG B 112 1.901 -12.443 12.077 1.00 0.00 H new ATOM 0 HH12 ARG B 112 2.756 -13.910 12.564 1.00 0.00 H new ATOM 0 HH21 ARG B 112 4.805 -12.251 14.921 1.00 0.00 H new ATOM 0 HH22 ARG B 112 4.400 -13.800 14.174 1.00 0.00 H new ATOM 1579 N LEU B 113 1.353 -6.811 9.001 1.00 0.00 N ATOM 1580 CA LEU B 113 1.616 -6.881 7.554 1.00 0.00 C ATOM 1581 C LEU B 113 2.456 -5.676 7.126 1.00 0.00 C ATOM 1582 O LEU B 113 3.339 -5.771 6.264 1.00 0.00 O ATOM 1583 CB LEU B 113 0.298 -6.888 6.780 1.00 0.00 C ATOM 1584 CG LEU B 113 -0.608 -8.093 7.005 1.00 0.00 C ATOM 1585 CD1 LEU B 113 -1.946 -7.877 6.330 1.00 0.00 C ATOM 1586 CD2 LEU B 113 0.053 -9.356 6.469 1.00 0.00 C ATOM 0 H LEU B 113 0.373 -6.658 9.237 1.00 0.00 H new ATOM 0 HA LEU B 113 2.160 -7.800 7.336 1.00 0.00 H new ATOM 0 HB2 LEU B 113 -0.258 -5.988 7.042 1.00 0.00 H new ATOM 0 HB3 LEU B 113 0.525 -6.824 5.716 1.00 0.00 H new ATOM 0 HG LEU B 113 -0.772 -8.211 8.076 1.00 0.00 H new ATOM 0 HD11 LEU B 113 -2.583 -8.745 6.499 1.00 0.00 H new ATOM 0 HD12 LEU B 113 -2.424 -6.990 6.745 1.00 0.00 H new ATOM 0 HD13 LEU B 113 -1.795 -7.740 5.259 1.00 0.00 H new ATOM 0 HD21 LEU B 113 -0.604 -10.209 6.636 1.00 0.00 H new ATOM 0 HD22 LEU B 113 0.239 -9.244 5.401 1.00 0.00 H new ATOM 0 HD23 LEU B 113 0.998 -9.520 6.986 1.00 0.00 H new ATOM 1598 N LYS B 114 2.170 -4.557 7.753 1.00 0.00 N ATOM 1599 CA LYS B 114 2.871 -3.316 7.552 1.00 0.00 C ATOM 1600 C LYS B 114 4.300 -3.514 8.012 1.00 0.00 C ATOM 1601 O LYS B 114 5.241 -3.236 7.284 1.00 0.00 O ATOM 1602 CB LYS B 114 2.155 -2.241 8.377 1.00 0.00 C ATOM 1603 CG LYS B 114 2.470 -0.802 8.038 1.00 0.00 C ATOM 1604 CD LYS B 114 1.419 0.110 8.638 1.00 0.00 C ATOM 1605 CE LYS B 114 1.581 0.309 10.131 1.00 0.00 C ATOM 1606 NZ LYS B 114 0.502 1.156 10.686 1.00 0.00 N ATOM 0 H LYS B 114 1.418 -4.487 8.438 1.00 0.00 H new ATOM 0 HA LYS B 114 2.882 -3.006 6.507 1.00 0.00 H new ATOM 0 HB2 LYS B 114 1.080 -2.389 8.269 1.00 0.00 H new ATOM 0 HB3 LYS B 114 2.395 -2.403 9.428 1.00 0.00 H new ATOM 0 HG2 LYS B 114 3.456 -0.536 8.420 1.00 0.00 H new ATOM 0 HG3 LYS B 114 2.502 -0.672 6.956 1.00 0.00 H new ATOM 0 HD2 LYS B 114 1.463 1.080 8.142 1.00 0.00 H new ATOM 0 HD3 LYS B 114 0.431 -0.305 8.439 1.00 0.00 H new ATOM 0 HE2 LYS B 114 1.578 -0.660 10.631 1.00 0.00 H new ATOM 0 HE3 LYS B 114 2.548 0.770 10.335 1.00 0.00 H new ATOM 0 HZ1 LYS B 114 0.574 1.175 11.723 1.00 0.00 H new ATOM 0 HZ2 LYS B 114 0.594 2.123 10.315 1.00 0.00 H new ATOM 0 HZ3 LYS B 114 -0.422 0.766 10.411 1.00 0.00 H new ATOM 1620 N ASN B 115 4.430 -4.044 9.212 1.00 0.00 N ATOM 1621 CA ASN B 115 5.705 -4.418 9.821 1.00 0.00 C ATOM 1622 C ASN B 115 6.449 -5.396 8.925 1.00 0.00 C ATOM 1623 O ASN B 115 7.632 -5.263 8.730 1.00 0.00 O ATOM 1624 CB ASN B 115 5.445 -5.048 11.204 1.00 0.00 C ATOM 1625 CG ASN B 115 5.061 -4.046 12.280 1.00 0.00 C ATOM 1626 OD1 ASN B 115 5.495 -2.892 12.264 1.00 0.00 O ATOM 1627 ND2 ASN B 115 4.216 -4.454 13.191 1.00 0.00 N ATOM 0 H ASN B 115 3.630 -4.235 9.815 1.00 0.00 H new ATOM 0 HA ASN B 115 6.322 -3.528 9.943 1.00 0.00 H new ATOM 0 HB2 ASN B 115 4.650 -5.787 11.111 1.00 0.00 H new ATOM 0 HB3 ASN B 115 6.341 -5.582 11.522 1.00 0.00 H new ATOM 0 HD21 ASN B 115 3.897 -3.811 13.916 1.00 0.00 H new ATOM 0 HD22 ASN B 115 3.875 -5.415 13.177 1.00 0.00 H new ATOM 1634 N GLU B 116 5.718 -6.338 8.352 1.00 0.00 N ATOM 1635 CA GLU B 116 6.254 -7.324 7.411 1.00 0.00 C ATOM 1636 C GLU B 116 6.913 -6.612 6.252 1.00 0.00 C ATOM 1637 O GLU B 116 8.090 -6.802 5.992 1.00 0.00 O ATOM 1638 CB GLU B 116 5.117 -8.237 6.918 1.00 0.00 C ATOM 1639 CG GLU B 116 5.489 -9.187 5.805 1.00 0.00 C ATOM 1640 CD GLU B 116 4.372 -10.149 5.460 1.00 0.00 C ATOM 1641 OE1 GLU B 116 4.246 -11.204 6.128 1.00 0.00 O ATOM 1642 OE2 GLU B 116 3.603 -9.877 4.525 1.00 0.00 O ATOM 0 H GLU B 116 4.719 -6.446 8.526 1.00 0.00 H new ATOM 0 HA GLU B 116 7.002 -7.941 7.909 1.00 0.00 H new ATOM 0 HB2 GLU B 116 4.749 -8.819 7.763 1.00 0.00 H new ATOM 0 HB3 GLU B 116 4.292 -7.611 6.578 1.00 0.00 H new ATOM 0 HG2 GLU B 116 5.756 -8.613 4.917 1.00 0.00 H new ATOM 0 HG3 GLU B 116 6.374 -9.753 6.097 1.00 0.00 H new ATOM 1649 N ARG B 117 6.144 -5.777 5.588 1.00 0.00 N ATOM 1650 CA ARG B 117 6.648 -4.944 4.496 1.00 0.00 C ATOM 1651 C ARG B 117 7.829 -4.106 4.933 1.00 0.00 C ATOM 1652 O ARG B 117 8.776 -3.908 4.170 1.00 0.00 O ATOM 1653 CB ARG B 117 5.622 -3.960 4.005 1.00 0.00 C ATOM 1654 CG ARG B 117 4.439 -4.498 3.279 1.00 0.00 C ATOM 1655 CD ARG B 117 3.693 -3.326 2.679 1.00 0.00 C ATOM 1656 NE ARG B 117 3.193 -2.403 3.703 1.00 0.00 N ATOM 1657 CZ ARG B 117 3.481 -1.103 3.843 1.00 0.00 C ATOM 1658 NH1 ARG B 117 4.428 -0.530 3.113 1.00 0.00 N ATOM 1659 NH2 ARG B 117 2.797 -0.377 4.691 1.00 0.00 N ATOM 0 H ARG B 117 5.151 -5.650 5.783 1.00 0.00 H new ATOM 0 HA ARG B 117 6.920 -5.651 3.712 1.00 0.00 H new ATOM 0 HB2 ARG B 117 5.260 -3.396 4.865 1.00 0.00 H new ATOM 0 HB3 ARG B 117 6.125 -3.251 3.348 1.00 0.00 H new ATOM 0 HG2 ARG B 117 4.752 -5.191 2.499 1.00 0.00 H new ATOM 0 HG3 ARG B 117 3.794 -5.054 3.959 1.00 0.00 H new ATOM 0 HD2 ARG B 117 4.353 -2.788 1.999 1.00 0.00 H new ATOM 0 HD3 ARG B 117 2.856 -3.695 2.086 1.00 0.00 H new ATOM 0 HE ARG B 117 2.550 -2.798 4.389 1.00 0.00 H new ATOM 0 HH11 ARG B 117 4.950 -1.081 2.432 1.00 0.00 H new ATOM 0 HH12 ARG B 117 4.634 0.462 3.233 1.00 0.00 H new ATOM 0 HH21 ARG B 117 2.050 -0.802 5.240 1.00 0.00 H new ATOM 0 HH22 ARG B 117 3.011 0.614 4.803 1.00 0.00 H new ATOM 1673 N HIS B 118 7.731 -3.565 6.123 1.00 0.00 N ATOM 1674 CA HIS B 118 8.755 -2.725 6.675 1.00 0.00 C ATOM 1675 C HIS B 118 10.025 -3.490 6.899 1.00 0.00 C ATOM 1676 O HIS B 118 11.112 -2.989 6.602 1.00 0.00 O ATOM 1677 CB HIS B 118 8.251 -1.974 7.920 1.00 0.00 C ATOM 1678 CG HIS B 118 7.324 -0.850 7.551 1.00 0.00 C ATOM 1679 ND1 HIS B 118 7.548 -0.046 6.456 1.00 0.00 N ATOM 1680 CD2 HIS B 118 6.105 -0.492 8.018 1.00 0.00 C ATOM 1681 CE1 HIS B 118 6.511 0.723 6.261 1.00 0.00 C ATOM 1682 NE2 HIS B 118 5.634 0.487 7.184 1.00 0.00 N ATOM 0 H HIS B 118 6.929 -3.699 6.738 1.00 0.00 H new ATOM 0 HA HIS B 118 9.002 -1.953 5.946 1.00 0.00 H new ATOM 0 HB2 HIS B 118 7.735 -2.670 8.581 1.00 0.00 H new ATOM 0 HB3 HIS B 118 9.101 -1.578 8.475 1.00 0.00 H new ATOM 0 HD2 HIS B 118 5.601 -0.900 8.882 1.00 0.00 H new ATOM 0 HE1 HIS B 118 6.402 1.439 5.460 1.00 0.00 H new ATOM 0 HE2 HIS B 118 4.733 0.957 7.276 1.00 0.00 H new ATOM 1691 N GLU B 119 9.899 -4.696 7.388 1.00 0.00 N ATOM 1692 CA GLU B 119 11.023 -5.562 7.507 1.00 0.00 C ATOM 1693 C GLU B 119 11.570 -5.907 6.159 1.00 0.00 C ATOM 1694 O GLU B 119 12.723 -5.682 5.921 1.00 0.00 O ATOM 1695 CB GLU B 119 10.721 -6.809 8.319 1.00 0.00 C ATOM 1696 CG GLU B 119 11.078 -6.680 9.785 1.00 0.00 C ATOM 1697 CD GLU B 119 10.288 -5.650 10.561 1.00 0.00 C ATOM 1698 OE1 GLU B 119 10.622 -4.435 10.501 1.00 0.00 O ATOM 1699 OE2 GLU B 119 9.381 -6.046 11.319 1.00 0.00 O ATOM 0 H GLU B 119 9.018 -5.095 7.710 1.00 0.00 H new ATOM 0 HA GLU B 119 11.788 -5.017 8.060 1.00 0.00 H new ATOM 0 HB2 GLU B 119 9.660 -7.041 8.231 1.00 0.00 H new ATOM 0 HB3 GLU B 119 11.268 -7.651 7.893 1.00 0.00 H new ATOM 0 HG2 GLU B 119 10.941 -7.651 10.261 1.00 0.00 H new ATOM 0 HG3 GLU B 119 12.137 -6.434 9.862 1.00 0.00 H new ATOM 1706 N GLU B 120 10.707 -6.381 5.265 1.00 0.00 N ATOM 1707 CA GLU B 120 11.088 -6.763 3.900 1.00 0.00 C ATOM 1708 C GLU B 120 11.894 -5.701 3.191 1.00 0.00 C ATOM 1709 O GLU B 120 12.877 -6.010 2.555 1.00 0.00 O ATOM 1710 CB GLU B 120 9.869 -7.113 3.052 1.00 0.00 C ATOM 1711 CG GLU B 120 9.207 -8.416 3.424 1.00 0.00 C ATOM 1712 CD GLU B 120 10.150 -9.587 3.300 1.00 0.00 C ATOM 1713 OE1 GLU B 120 10.855 -9.705 2.264 1.00 0.00 O ATOM 1714 OE2 GLU B 120 10.198 -10.417 4.224 1.00 0.00 O ATOM 0 H GLU B 120 9.715 -6.513 5.464 1.00 0.00 H new ATOM 0 HA GLU B 120 11.718 -7.645 4.015 1.00 0.00 H new ATOM 0 HB2 GLU B 120 9.138 -6.310 3.139 1.00 0.00 H new ATOM 0 HB3 GLU B 120 10.170 -7.158 2.005 1.00 0.00 H new ATOM 0 HG2 GLU B 120 8.838 -8.355 4.448 1.00 0.00 H new ATOM 0 HG3 GLU B 120 8.341 -8.579 2.782 1.00 0.00 H new ATOM 1721 N ALA B 121 11.493 -4.462 3.325 1.00 0.00 N ATOM 1722 CA ALA B 121 12.178 -3.373 2.654 1.00 0.00 C ATOM 1723 C ALA B 121 13.585 -3.177 3.193 1.00 0.00 C ATOM 1724 O ALA B 121 14.549 -3.085 2.424 1.00 0.00 O ATOM 1725 CB ALA B 121 11.373 -2.093 2.724 1.00 0.00 C ATOM 0 H ALA B 121 10.695 -4.176 3.892 1.00 0.00 H new ATOM 0 HA ALA B 121 12.273 -3.646 1.603 1.00 0.00 H new ATOM 0 HB1 ALA B 121 11.912 -1.296 2.213 1.00 0.00 H new ATOM 0 HB2 ALA B 121 10.407 -2.244 2.243 1.00 0.00 H new ATOM 0 HB3 ALA B 121 11.220 -1.816 3.767 1.00 0.00 H new