USER MOD reduce.3.24.130724 H: found=0, std=0, add=1003, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 1005 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 43 ASN : amide:sc= -0.337 K(o=-0.31,f=-0.88) USER MOD Set 1.2: A 47 GLN : amide:sc= 0.0278 X(o=-0.31,f=-0.68) USER MOD Set 2.1: A 42 THR OG1 : rot 69:sc= 1.04 USER MOD Set 2.2: B 67 SER OG : rot -92:sc= 1.01 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= 0.817 K(o=0.82,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 171:sc= -0.011 (180deg=-0.119) USER MOD Single : A 17 GLN : amide:sc= 0.582 K(o=0.58,f=-0.33) USER MOD Single : A 25 LYS NZ :NH3+ -165:sc=-0.00946 (180deg=-0.162) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0275 USER MOD Single : A 35 MET CE :methyl 157:sc= -0.499 (180deg=-1.78) USER MOD Single : A 36 CYS SG : rot -87:sc= -0.265 USER MOD Single : A 39 ASN : amide:sc= 1.14 K(o=1.1,f=-0.019) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -143:sc= -0.82 (180deg=-2.54!) USER MOD Single : A 59 ASN : amide:sc= 1.11 K(o=1.1,f=-0.0033) USER MOD Single : A 61 THR OG1 : rot 0:sc= 1.15 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -1.23! K(o=-1.2!,f=-0.01) USER MOD Single : A 67 SER OG : rot 78:sc= 0.873 USER MOD Single : B 8 SER OG : rot 23:sc= 0.132 USER MOD Single : B 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 14 LYS NZ :NH3+ -152:sc= 2.45 (180deg=2.16) USER MOD Single : B 17 GLN : amide:sc= 0.208 X(o=0.21,f=-0.061) USER MOD Single : B 25 LYS NZ :NH3+ -169:sc= 1.56 (180deg=1.37) USER MOD Single : B 29 THR OG1 : rot 180:sc= 0.00173 USER MOD Single : B 35 MET CE :methyl 150:sc= -0.08 (180deg=-1.72) USER MOD Single : B 36 CYS SG : rot 76:sc= 1.13 USER MOD Single : B 39 ASN : amide:sc=-0.00867 K(o=-0.0087,f=-0.82) USER MOD Single : B 42 THR OG1 : rot 74:sc= 1.21 USER MOD Single : B 43 ASN : amide:sc= -0.0095 X(o=-0.0095,f=0) USER MOD Single : B 47 GLN : amide:sc= 0.384 K(o=0.38,f=-0.29) USER MOD Single : B 51 SER OG : rot 180:sc= 0 USER MOD Single : B 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 59 ASN : amide:sc= -0.019 X(o=-0.019,f=0) USER MOD Single : B 61 THR OG1 : rot -8:sc= 0.958 USER MOD Single : B 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 65 LYS NZ :NH3+ 176:sc= 0.989 (180deg=0.972) USER MOD Single : B 66 GLN : amide:sc= -0.925 K(o=-0.93,f=0) USER MOD ----------------------------------------------------------------- ATOM 123 N SER A 8 -16.141 -10.714 1.740 1.00 0.00 N ATOM 124 CA SER A 8 -17.283 -10.040 1.144 1.00 0.00 C ATOM 125 C SER A 8 -16.936 -8.585 0.817 1.00 0.00 C ATOM 126 O SER A 8 -16.012 -8.016 1.402 1.00 0.00 O ATOM 127 CB SER A 8 -18.469 -10.111 2.111 1.00 0.00 C ATOM 128 OG SER A 8 -19.680 -9.718 1.493 1.00 0.00 O ATOM 0 HA SER A 8 -17.551 -10.536 0.211 1.00 0.00 H new ATOM 0 HB2 SER A 8 -18.568 -11.128 2.489 1.00 0.00 H new ATOM 0 HB3 SER A 8 -18.275 -9.469 2.970 1.00 0.00 H new ATOM 0 HG SER A 8 -20.413 -9.778 2.141 1.00 0.00 H new ATOM 134 N ASN A 9 -17.688 -7.993 -0.106 1.00 0.00 N ATOM 135 CA ASN A 9 -17.424 -6.633 -0.583 1.00 0.00 C ATOM 136 C ASN A 9 -17.435 -5.633 0.568 1.00 0.00 C ATOM 137 O ASN A 9 -16.508 -4.834 0.719 1.00 0.00 O ATOM 138 CB ASN A 9 -18.467 -6.224 -1.630 1.00 0.00 C ATOM 139 CG ASN A 9 -18.214 -4.844 -2.209 1.00 0.00 C ATOM 140 OD1 ASN A 9 -17.523 -4.700 -3.215 1.00 0.00 O ATOM 141 ND2 ASN A 9 -18.780 -3.820 -1.586 1.00 0.00 N ATOM 0 H ASN A 9 -18.495 -8.437 -0.545 1.00 0.00 H new ATOM 0 HA ASN A 9 -16.433 -6.627 -1.037 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -18.470 -6.956 -2.437 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -19.458 -6.246 -1.176 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -18.649 -2.872 -1.939 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -19.347 -3.980 -0.753 1.00 0.00 H new ATOM 148 N GLU A 10 -18.483 -5.687 1.378 1.00 0.00 N ATOM 149 CA GLU A 10 -18.615 -4.784 2.514 1.00 0.00 C ATOM 150 C GLU A 10 -17.462 -4.971 3.495 1.00 0.00 C ATOM 151 O GLU A 10 -17.009 -4.011 4.121 1.00 0.00 O ATOM 152 CB GLU A 10 -19.952 -5.006 3.218 1.00 0.00 C ATOM 153 CG GLU A 10 -21.151 -4.871 2.297 1.00 0.00 C ATOM 154 CD GLU A 10 -21.209 -3.528 1.594 1.00 0.00 C ATOM 155 OE1 GLU A 10 -20.572 -3.373 0.531 1.00 0.00 O ATOM 156 OE2 GLU A 10 -21.910 -2.625 2.097 1.00 0.00 O ATOM 0 H GLU A 10 -19.254 -6.346 1.270 1.00 0.00 H new ATOM 0 HA GLU A 10 -18.582 -3.761 2.140 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -19.957 -6.000 3.665 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -20.048 -4.289 4.033 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -21.120 -5.665 1.551 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -22.064 -5.012 2.875 1.00 0.00 H new ATOM 163 N ARG A 11 -16.974 -6.202 3.610 1.00 0.00 N ATOM 164 CA ARG A 11 -15.836 -6.487 4.472 1.00 0.00 C ATOM 165 C ARG A 11 -14.581 -5.821 3.920 1.00 0.00 C ATOM 166 O ARG A 11 -13.836 -5.191 4.663 1.00 0.00 O ATOM 167 CB ARG A 11 -15.613 -7.998 4.615 1.00 0.00 C ATOM 168 CG ARG A 11 -14.389 -8.358 5.448 1.00 0.00 C ATOM 169 CD ARG A 11 -14.268 -9.860 5.648 1.00 0.00 C ATOM 170 NE ARG A 11 -13.058 -10.226 6.390 1.00 0.00 N ATOM 171 CZ ARG A 11 -12.963 -10.204 7.723 1.00 0.00 C ATOM 172 NH1 ARG A 11 -13.995 -9.816 8.464 1.00 0.00 N ATOM 173 NH2 ARG A 11 -11.836 -10.578 8.317 1.00 0.00 N ATOM 0 H ARG A 11 -17.348 -7.014 3.119 1.00 0.00 H new ATOM 0 HA ARG A 11 -16.051 -6.082 5.461 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -16.496 -8.446 5.070 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -15.509 -8.437 3.623 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -13.491 -7.983 4.957 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -14.451 -7.865 6.418 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -15.144 -10.225 6.184 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -14.259 -10.354 4.677 1.00 0.00 H new ATOM 0 HE ARG A 11 -12.238 -10.515 5.856 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -14.866 -9.533 8.016 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -13.916 -9.802 9.481 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -11.041 -10.883 7.756 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -11.766 -10.560 9.334 1.00 0.00 H new ATOM 187 N VAL A 12 -14.370 -5.947 2.611 1.00 0.00 N ATOM 188 CA VAL A 12 -13.218 -5.329 1.953 1.00 0.00 C ATOM 189 C VAL A 12 -13.186 -3.829 2.230 1.00 0.00 C ATOM 190 O VAL A 12 -12.145 -3.270 2.580 1.00 0.00 O ATOM 191 CB VAL A 12 -13.243 -5.559 0.424 1.00 0.00 C ATOM 192 CG1 VAL A 12 -12.049 -4.891 -0.246 1.00 0.00 C ATOM 193 CG2 VAL A 12 -13.268 -7.043 0.104 1.00 0.00 C ATOM 0 H VAL A 12 -14.981 -6.471 1.984 1.00 0.00 H new ATOM 0 HA VAL A 12 -12.324 -5.800 2.362 1.00 0.00 H new ATOM 0 HB VAL A 12 -14.153 -5.106 0.031 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -12.089 -5.067 -1.321 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -12.076 -3.819 -0.053 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -11.126 -5.309 0.156 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -13.285 -7.182 -0.977 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -12.379 -7.519 0.517 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -14.158 -7.495 0.542 1.00 0.00 H new ATOM 203 N GLU A 13 -14.345 -3.195 2.094 1.00 0.00 N ATOM 204 CA GLU A 13 -14.484 -1.765 2.339 1.00 0.00 C ATOM 205 C GLU A 13 -14.080 -1.414 3.772 1.00 0.00 C ATOM 206 O GLU A 13 -13.409 -0.408 4.009 1.00 0.00 O ATOM 207 CB GLU A 13 -15.927 -1.330 2.078 1.00 0.00 C ATOM 208 CG GLU A 13 -16.174 0.155 2.280 1.00 0.00 C ATOM 209 CD GLU A 13 -17.626 0.523 2.082 1.00 0.00 C ATOM 210 OE1 GLU A 13 -18.427 0.310 3.016 1.00 0.00 O ATOM 211 OE2 GLU A 13 -17.978 1.007 0.988 1.00 0.00 O ATOM 0 H GLU A 13 -15.211 -3.655 1.812 1.00 0.00 H new ATOM 0 HA GLU A 13 -13.819 -1.233 1.658 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -16.196 -1.596 1.056 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -16.589 -1.890 2.738 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -15.862 0.440 3.285 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -15.558 0.722 1.582 1.00 0.00 H new ATOM 218 N LYS A 14 -14.472 -2.256 4.720 1.00 0.00 N ATOM 219 CA LYS A 14 -14.173 -2.007 6.125 1.00 0.00 C ATOM 220 C LYS A 14 -12.743 -2.388 6.480 1.00 0.00 C ATOM 221 O LYS A 14 -12.193 -1.883 7.456 1.00 0.00 O ATOM 222 CB LYS A 14 -15.167 -2.729 7.031 1.00 0.00 C ATOM 223 CG LYS A 14 -16.488 -1.993 7.143 1.00 0.00 C ATOM 224 CD LYS A 14 -17.451 -2.688 8.088 1.00 0.00 C ATOM 225 CE LYS A 14 -18.730 -1.884 8.261 1.00 0.00 C ATOM 226 NZ LYS A 14 -19.475 -1.728 6.983 1.00 0.00 N ATOM 0 H LYS A 14 -14.995 -3.113 4.543 1.00 0.00 H new ATOM 0 HA LYS A 14 -14.273 -0.934 6.289 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -15.345 -3.732 6.644 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -14.733 -2.843 8.024 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -16.308 -0.977 7.493 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -16.943 -1.914 6.156 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -17.691 -3.679 7.703 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -16.974 -2.830 9.058 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -19.369 -2.376 8.994 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -18.487 -0.899 8.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -20.408 -1.309 7.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -18.940 -1.106 6.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -19.599 -2.659 6.537 1.00 0.00 H new ATOM 240 N ILE A 15 -12.139 -3.271 5.695 1.00 0.00 N ATOM 241 CA ILE A 15 -10.717 -3.559 5.843 1.00 0.00 C ATOM 242 C ILE A 15 -9.918 -2.313 5.484 1.00 0.00 C ATOM 243 O ILE A 15 -9.012 -1.905 6.211 1.00 0.00 O ATOM 244 CB ILE A 15 -10.265 -4.742 4.955 1.00 0.00 C ATOM 245 CG1 ILE A 15 -10.993 -6.026 5.363 1.00 0.00 C ATOM 246 CG2 ILE A 15 -8.756 -4.933 5.047 1.00 0.00 C ATOM 247 CD1 ILE A 15 -10.670 -7.218 4.489 1.00 0.00 C ATOM 0 H ILE A 15 -12.606 -3.796 4.956 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.537 -3.844 6.880 1.00 0.00 H new ATOM 0 HB ILE A 15 -10.521 -4.514 3.920 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -10.737 -6.265 6.395 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -12.068 -5.847 5.334 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -8.456 -5.770 4.416 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -8.253 -4.026 4.711 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -8.478 -5.140 6.080 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -11.224 -8.088 4.841 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -10.952 -7.001 3.459 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -9.601 -7.425 4.536 1.00 0.00 H new ATOM 259 N ILE A 16 -10.287 -1.698 4.365 1.00 0.00 N ATOM 260 CA ILE A 16 -9.689 -0.440 3.951 1.00 0.00 C ATOM 261 C ILE A 16 -9.963 0.635 4.999 1.00 0.00 C ATOM 262 O ILE A 16 -9.076 1.408 5.356 1.00 0.00 O ATOM 263 CB ILE A 16 -10.237 0.018 2.581 1.00 0.00 C ATOM 264 CG1 ILE A 16 -10.024 -1.084 1.539 1.00 0.00 C ATOM 265 CG2 ILE A 16 -9.560 1.309 2.139 1.00 0.00 C ATOM 266 CD1 ILE A 16 -10.677 -0.802 0.204 1.00 0.00 C ATOM 0 H ILE A 16 -11.000 -2.054 3.729 1.00 0.00 H new ATOM 0 HA ILE A 16 -8.614 -0.594 3.855 1.00 0.00 H new ATOM 0 HB ILE A 16 -11.306 0.210 2.676 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -8.954 -1.224 1.386 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -10.415 -2.022 1.932 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -9.959 1.616 1.172 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -9.751 2.090 2.875 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -8.486 1.146 2.053 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -10.480 -1.628 -0.479 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -11.753 -0.693 0.341 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -10.269 0.119 -0.213 1.00 0.00 H new ATOM 278 N GLN A 17 -11.195 0.660 5.500 1.00 0.00 N ATOM 279 CA GLN A 17 -11.582 1.593 6.551 1.00 0.00 C ATOM 280 C GLN A 17 -10.729 1.399 7.800 1.00 0.00 C ATOM 281 O GLN A 17 -10.201 2.361 8.348 1.00 0.00 O ATOM 282 CB GLN A 17 -13.062 1.428 6.903 1.00 0.00 C ATOM 283 CG GLN A 17 -13.486 2.231 8.124 1.00 0.00 C ATOM 284 CD GLN A 17 -13.301 3.727 7.943 1.00 0.00 C ATOM 285 OE1 GLN A 17 -13.473 4.261 6.847 1.00 0.00 O ATOM 286 NE2 GLN A 17 -12.907 4.405 9.006 1.00 0.00 N ATOM 0 H GLN A 17 -11.945 0.041 5.192 1.00 0.00 H new ATOM 0 HA GLN A 17 -11.418 2.602 6.173 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -13.667 1.733 6.049 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -13.270 0.373 7.081 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -14.534 2.024 8.343 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -12.909 1.901 8.988 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -12.776 3.926 9.897 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -12.734 5.408 8.936 1.00 0.00 H new ATOM 295 N ASP A 18 -10.596 0.151 8.234 1.00 0.00 N ATOM 296 CA ASP A 18 -9.817 -0.176 9.430 1.00 0.00 C ATOM 297 C ASP A 18 -8.384 0.330 9.291 1.00 0.00 C ATOM 298 O ASP A 18 -7.784 0.807 10.253 1.00 0.00 O ATOM 299 CB ASP A 18 -9.828 -1.689 9.670 1.00 0.00 C ATOM 300 CG ASP A 18 -9.687 -2.047 11.137 1.00 0.00 C ATOM 301 OD1 ASP A 18 -10.642 -1.794 11.906 1.00 0.00 O ATOM 302 OD2 ASP A 18 -8.651 -2.620 11.528 1.00 0.00 O ATOM 0 H ASP A 18 -11.018 -0.656 7.776 1.00 0.00 H new ATOM 0 HA ASP A 18 -10.274 0.318 10.288 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -10.758 -2.108 9.285 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -9.015 -2.148 9.108 1.00 0.00 H new ATOM 307 N LEU A 19 -7.850 0.241 8.077 1.00 0.00 N ATOM 308 CA LEU A 19 -6.528 0.786 7.775 1.00 0.00 C ATOM 309 C LEU A 19 -6.534 2.310 7.895 1.00 0.00 C ATOM 310 O LEU A 19 -5.605 2.904 8.446 1.00 0.00 O ATOM 311 CB LEU A 19 -6.089 0.383 6.364 1.00 0.00 C ATOM 312 CG LEU A 19 -5.848 -1.112 6.153 1.00 0.00 C ATOM 313 CD1 LEU A 19 -5.601 -1.413 4.683 1.00 0.00 C ATOM 314 CD2 LEU A 19 -4.672 -1.587 6.994 1.00 0.00 C ATOM 0 H LEU A 19 -8.312 -0.204 7.284 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.822 0.376 8.497 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.850 0.714 5.657 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.172 0.919 6.120 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.742 -1.650 6.470 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.432 -2.482 4.554 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.470 -1.110 4.099 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.724 -0.863 4.341 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.515 -2.653 6.831 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.774 -1.040 6.706 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.883 -1.408 8.048 1.00 0.00 H new ATOM 326 N LEU A 20 -7.588 2.936 7.383 1.00 0.00 N ATOM 327 CA LEU A 20 -7.733 4.388 7.445 1.00 0.00 C ATOM 328 C LEU A 20 -7.870 4.856 8.890 1.00 0.00 C ATOM 329 O LEU A 20 -7.347 5.908 9.263 1.00 0.00 O ATOM 330 CB LEU A 20 -8.947 4.842 6.631 1.00 0.00 C ATOM 331 CG LEU A 20 -8.892 4.512 5.137 1.00 0.00 C ATOM 332 CD1 LEU A 20 -10.181 4.937 4.452 1.00 0.00 C ATOM 333 CD2 LEU A 20 -7.696 5.187 4.484 1.00 0.00 C ATOM 0 H LEU A 20 -8.360 2.458 6.917 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.836 4.835 7.018 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -9.840 4.384 7.055 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -9.057 5.920 6.744 1.00 0.00 H new ATOM 0 HG LEU A 20 -8.780 3.433 5.027 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -10.126 4.695 3.391 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -11.023 4.409 4.901 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -10.320 6.011 4.573 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -7.674 4.941 3.422 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.777 6.267 4.604 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.778 4.838 4.957 1.00 0.00 H new ATOM 345 N ASP A 21 -8.581 4.069 9.696 1.00 0.00 N ATOM 346 CA ASP A 21 -8.719 4.347 11.123 1.00 0.00 C ATOM 347 C ASP A 21 -7.352 4.405 11.791 1.00 0.00 C ATOM 348 O ASP A 21 -7.090 5.276 12.617 1.00 0.00 O ATOM 349 CB ASP A 21 -9.597 3.293 11.815 1.00 0.00 C ATOM 350 CG ASP A 21 -11.082 3.531 11.609 1.00 0.00 C ATOM 351 OD1 ASP A 21 -11.618 4.501 12.186 1.00 0.00 O ATOM 352 OD2 ASP A 21 -11.730 2.748 10.886 1.00 0.00 O ATOM 0 H ASP A 21 -9.072 3.231 9.383 1.00 0.00 H new ATOM 0 HA ASP A 21 -9.206 5.317 11.225 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -9.337 2.305 11.435 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.380 3.291 12.883 1.00 0.00 H new ATOM 357 N VAL A 22 -6.475 3.485 11.419 1.00 0.00 N ATOM 358 CA VAL A 22 -5.111 3.487 11.928 1.00 0.00 C ATOM 359 C VAL A 22 -4.357 4.722 11.438 1.00 0.00 C ATOM 360 O VAL A 22 -3.674 5.398 12.209 1.00 0.00 O ATOM 361 CB VAL A 22 -4.350 2.214 11.502 1.00 0.00 C ATOM 362 CG1 VAL A 22 -2.898 2.265 11.954 1.00 0.00 C ATOM 363 CG2 VAL A 22 -5.036 0.977 12.060 1.00 0.00 C ATOM 0 H VAL A 22 -6.683 2.728 10.767 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.168 3.508 13.016 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.362 2.162 10.413 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.387 1.355 11.640 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.408 3.129 11.506 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.858 2.347 13.040 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -4.488 0.087 11.751 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.056 1.032 13.148 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -6.057 0.925 11.681 1.00 0.00 H new ATOM 373 N LEU A 23 -4.513 5.027 10.156 1.00 0.00 N ATOM 374 CA LEU A 23 -3.820 6.155 9.542 1.00 0.00 C ATOM 375 C LEU A 23 -4.216 7.483 10.192 1.00 0.00 C ATOM 376 O LEU A 23 -3.377 8.371 10.366 1.00 0.00 O ATOM 377 CB LEU A 23 -4.102 6.201 8.035 1.00 0.00 C ATOM 378 CG LEU A 23 -3.595 4.995 7.239 1.00 0.00 C ATOM 379 CD1 LEU A 23 -3.970 5.132 5.771 1.00 0.00 C ATOM 380 CD2 LEU A 23 -2.087 4.847 7.391 1.00 0.00 C ATOM 0 H LEU A 23 -5.116 4.507 9.518 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.752 6.010 9.702 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.178 6.288 7.886 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.649 7.103 7.624 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.070 4.098 7.636 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.602 4.267 5.219 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.054 5.189 5.676 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.522 6.039 5.364 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.746 3.985 6.818 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.594 5.746 7.021 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.840 4.704 8.443 1.00 0.00 H new ATOM 392 N VAL A 24 -5.487 7.619 10.560 1.00 0.00 N ATOM 393 CA VAL A 24 -5.961 8.846 11.192 1.00 0.00 C ATOM 394 C VAL A 24 -5.551 8.891 12.668 1.00 0.00 C ATOM 395 O VAL A 24 -5.312 9.965 13.219 1.00 0.00 O ATOM 396 CB VAL A 24 -7.496 9.022 11.050 1.00 0.00 C ATOM 397 CG1 VAL A 24 -8.265 7.982 11.848 1.00 0.00 C ATOM 398 CG2 VAL A 24 -7.917 10.425 11.456 1.00 0.00 C ATOM 0 H VAL A 24 -6.201 6.902 10.433 1.00 0.00 H new ATOM 0 HA VAL A 24 -5.488 9.678 10.670 1.00 0.00 H new ATOM 0 HB VAL A 24 -7.742 8.873 9.999 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -9.335 8.143 11.719 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -8.003 6.985 11.494 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -8.009 8.071 12.904 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -8.997 10.526 11.349 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -7.637 10.603 12.494 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -7.419 11.154 10.816 1.00 0.00 H new ATOM 408 N LYS A 25 -5.445 7.718 13.292 1.00 0.00 N ATOM 409 CA LYS A 25 -4.981 7.623 14.673 1.00 0.00 C ATOM 410 C LYS A 25 -3.529 8.066 14.785 1.00 0.00 C ATOM 411 O LYS A 25 -3.140 8.724 15.749 1.00 0.00 O ATOM 412 CB LYS A 25 -5.127 6.190 15.193 1.00 0.00 C ATOM 413 CG LYS A 25 -6.525 5.847 15.676 1.00 0.00 C ATOM 414 CD LYS A 25 -6.653 4.365 15.982 1.00 0.00 C ATOM 415 CE LYS A 25 -7.878 4.073 16.832 1.00 0.00 C ATOM 416 NZ LYS A 25 -7.701 4.545 18.231 1.00 0.00 N ATOM 0 H LYS A 25 -5.674 6.822 12.862 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.598 8.285 15.281 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -4.848 5.497 14.400 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -4.424 6.038 16.012 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -6.756 6.427 16.570 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -7.254 6.128 14.916 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -6.715 3.804 15.049 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -5.759 4.022 16.502 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -8.750 4.557 16.392 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -8.074 3.001 16.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -8.428 4.115 18.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -6.758 4.271 18.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -7.793 5.580 18.262 1.00 0.00 H new ATOM 430 N GLU A 26 -2.735 7.704 13.793 1.00 0.00 N ATOM 431 CA GLU A 26 -1.330 8.078 13.769 1.00 0.00 C ATOM 432 C GLU A 26 -1.145 9.484 13.214 1.00 0.00 C ATOM 433 O GLU A 26 -0.081 10.080 13.373 1.00 0.00 O ATOM 434 CB GLU A 26 -0.533 7.080 12.932 1.00 0.00 C ATOM 435 CG GLU A 26 -0.527 5.674 13.506 1.00 0.00 C ATOM 436 CD GLU A 26 0.103 5.615 14.882 1.00 0.00 C ATOM 437 OE1 GLU A 26 1.189 6.203 15.066 1.00 0.00 O ATOM 438 OE2 GLU A 26 -0.480 4.979 15.783 1.00 0.00 O ATOM 0 H GLU A 26 -3.039 7.151 12.992 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.961 8.064 14.794 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.948 7.050 11.924 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.495 7.432 12.843 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.550 5.303 13.562 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.016 5.012 12.832 1.00 0.00 H new ATOM 445 N GLU A 27 -2.190 10.007 12.572 1.00 0.00 N ATOM 446 CA GLU A 27 -2.141 11.328 11.944 1.00 0.00 C ATOM 447 C GLU A 27 -1.007 11.404 10.928 1.00 0.00 C ATOM 448 O GLU A 27 -0.214 12.347 10.925 1.00 0.00 O ATOM 449 CB GLU A 27 -1.989 12.429 12.996 1.00 0.00 C ATOM 450 CG GLU A 27 -3.292 13.136 13.318 1.00 0.00 C ATOM 451 CD GLU A 27 -3.866 13.853 12.115 1.00 0.00 C ATOM 452 OE1 GLU A 27 -3.445 14.997 11.844 1.00 0.00 O ATOM 453 OE2 GLU A 27 -4.742 13.282 11.433 1.00 0.00 O ATOM 0 H GLU A 27 -3.087 9.532 12.473 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.084 11.483 11.420 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.584 11.995 13.910 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.264 13.162 12.642 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.017 12.409 13.685 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.125 13.854 14.121 1.00 0.00 H new ATOM 460 N VAL A 28 -0.948 10.402 10.066 1.00 0.00 N ATOM 461 CA VAL A 28 0.105 10.312 9.070 1.00 0.00 C ATOM 462 C VAL A 28 -0.051 11.371 7.978 1.00 0.00 C ATOM 463 O VAL A 28 -1.163 11.701 7.559 1.00 0.00 O ATOM 464 CB VAL A 28 0.149 8.908 8.428 1.00 0.00 C ATOM 465 CG1 VAL A 28 0.442 7.855 9.482 1.00 0.00 C ATOM 466 CG2 VAL A 28 -1.154 8.590 7.708 1.00 0.00 C ATOM 0 H VAL A 28 -1.621 9.636 10.037 1.00 0.00 H new ATOM 0 HA VAL A 28 1.044 10.494 9.592 1.00 0.00 H new ATOM 0 HB VAL A 28 0.951 8.900 7.690 1.00 0.00 H new ATOM 0 HG11 VAL A 28 0.470 6.871 9.015 1.00 0.00 H new ATOM 0 HG12 VAL A 28 1.406 8.064 9.947 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.339 7.874 10.242 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -1.092 7.595 7.266 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.980 8.621 8.419 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.324 9.326 6.922 1.00 0.00 H new ATOM 476 N THR A 29 1.072 11.923 7.554 1.00 0.00 N ATOM 477 CA THR A 29 1.108 12.842 6.429 1.00 0.00 C ATOM 478 C THR A 29 1.376 12.067 5.137 1.00 0.00 C ATOM 479 O THR A 29 1.709 10.885 5.197 1.00 0.00 O ATOM 480 CB THR A 29 2.196 13.909 6.638 1.00 0.00 C ATOM 481 OG1 THR A 29 3.394 13.287 7.125 1.00 0.00 O ATOM 482 CG2 THR A 29 1.730 14.980 7.612 1.00 0.00 C ATOM 0 H THR A 29 1.983 11.748 7.978 1.00 0.00 H new ATOM 0 HA THR A 29 0.143 13.343 6.355 1.00 0.00 H new ATOM 0 HB THR A 29 2.399 14.389 5.681 1.00 0.00 H new ATOM 0 HG1 THR A 29 4.086 13.968 7.256 1.00 0.00 H new ATOM 0 HG21 THR A 29 2.518 15.722 7.742 1.00 0.00 H new ATOM 0 HG22 THR A 29 0.836 15.465 7.219 1.00 0.00 H new ATOM 0 HG23 THR A 29 1.501 14.522 8.574 1.00 0.00 H new ATOM 490 N PRO A 30 1.213 12.702 3.957 1.00 0.00 N ATOM 491 CA PRO A 30 1.457 12.052 2.656 1.00 0.00 C ATOM 492 C PRO A 30 2.758 11.245 2.612 1.00 0.00 C ATOM 493 O PRO A 30 2.736 10.038 2.364 1.00 0.00 O ATOM 494 CB PRO A 30 1.528 13.234 1.691 1.00 0.00 C ATOM 495 CG PRO A 30 0.631 14.258 2.296 1.00 0.00 C ATOM 496 CD PRO A 30 0.752 14.097 3.789 1.00 0.00 C ATOM 0 HA PRO A 30 0.682 11.322 2.421 1.00 0.00 H new ATOM 0 HB2 PRO A 30 2.548 13.607 1.593 1.00 0.00 H new ATOM 0 HB3 PRO A 30 1.194 12.953 0.692 1.00 0.00 H new ATOM 0 HG2 PRO A 30 0.924 15.262 1.988 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -0.399 14.113 1.971 1.00 0.00 H new ATOM 0 HD2 PRO A 30 1.463 14.807 4.212 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -0.202 14.266 4.288 1.00 0.00 H new ATOM 504 N ASP A 31 3.883 11.908 2.871 1.00 0.00 N ATOM 505 CA ASP A 31 5.192 11.252 2.824 1.00 0.00 C ATOM 506 C ASP A 31 5.283 10.128 3.850 1.00 0.00 C ATOM 507 O ASP A 31 5.830 9.059 3.570 1.00 0.00 O ATOM 508 CB ASP A 31 6.323 12.258 3.065 1.00 0.00 C ATOM 509 CG ASP A 31 6.571 13.172 1.878 1.00 0.00 C ATOM 510 OD1 ASP A 31 5.880 14.206 1.763 1.00 0.00 O ATOM 511 OD2 ASP A 31 7.473 12.869 1.065 1.00 0.00 O ATOM 0 H ASP A 31 3.917 12.898 3.115 1.00 0.00 H new ATOM 0 HA ASP A 31 5.303 10.827 1.826 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.082 12.864 3.938 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.240 11.716 3.296 1.00 0.00 H new ATOM 516 N LEU A 32 4.737 10.372 5.035 1.00 0.00 N ATOM 517 CA LEU A 32 4.752 9.384 6.104 1.00 0.00 C ATOM 518 C LEU A 32 3.920 8.165 5.713 1.00 0.00 C ATOM 519 O LEU A 32 4.369 7.026 5.847 1.00 0.00 O ATOM 520 CB LEU A 32 4.217 10.003 7.400 1.00 0.00 C ATOM 521 CG LEU A 32 4.182 9.068 8.613 1.00 0.00 C ATOM 522 CD1 LEU A 32 5.577 8.564 8.948 1.00 0.00 C ATOM 523 CD2 LEU A 32 3.578 9.782 9.810 1.00 0.00 C ATOM 0 H LEU A 32 4.277 11.249 5.279 1.00 0.00 H new ATOM 0 HA LEU A 32 5.780 9.061 6.269 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.830 10.869 7.649 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.207 10.370 7.217 1.00 0.00 H new ATOM 0 HG LEU A 32 3.559 8.209 8.365 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.527 7.902 9.813 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.981 8.018 8.096 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.225 9.411 9.176 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.559 9.106 10.665 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.180 10.658 10.053 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.561 10.095 9.572 1.00 0.00 H new ATOM 535 N ALA A 33 2.721 8.420 5.203 1.00 0.00 N ATOM 536 CA ALA A 33 1.809 7.359 4.808 1.00 0.00 C ATOM 537 C ALA A 33 2.415 6.494 3.714 1.00 0.00 C ATOM 538 O ALA A 33 2.428 5.273 3.826 1.00 0.00 O ATOM 539 CB ALA A 33 0.481 7.940 4.347 1.00 0.00 C ATOM 0 H ALA A 33 2.358 9.361 5.053 1.00 0.00 H new ATOM 0 HA ALA A 33 1.632 6.729 5.679 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.189 7.131 4.055 1.00 0.00 H new ATOM 0 HB2 ALA A 33 0.030 8.508 5.161 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.648 8.598 3.494 1.00 0.00 H new ATOM 545 N LEU A 34 2.933 7.131 2.667 1.00 0.00 N ATOM 546 CA LEU A 34 3.523 6.406 1.546 1.00 0.00 C ATOM 547 C LEU A 34 4.712 5.562 2.001 1.00 0.00 C ATOM 548 O LEU A 34 4.906 4.443 1.530 1.00 0.00 O ATOM 549 CB LEU A 34 3.953 7.377 0.443 1.00 0.00 C ATOM 550 CG LEU A 34 2.813 8.169 -0.204 1.00 0.00 C ATOM 551 CD1 LEU A 34 3.356 9.117 -1.261 1.00 0.00 C ATOM 552 CD2 LEU A 34 1.787 7.226 -0.812 1.00 0.00 C ATOM 0 H LEU A 34 2.956 8.146 2.572 1.00 0.00 H new ATOM 0 HA LEU A 34 2.763 5.735 1.145 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.673 8.081 0.860 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.471 6.814 -0.334 1.00 0.00 H new ATOM 0 HG LEU A 34 2.322 8.760 0.570 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.532 9.672 -1.710 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.054 9.815 -0.799 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.872 8.545 -2.032 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.984 7.806 -1.267 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.265 6.609 -1.573 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.375 6.585 -0.032 1.00 0.00 H new ATOM 564 N MET A 35 5.492 6.100 2.931 1.00 0.00 N ATOM 565 CA MET A 35 6.648 5.387 3.467 1.00 0.00 C ATOM 566 C MET A 35 6.210 4.143 4.243 1.00 0.00 C ATOM 567 O MET A 35 6.765 3.055 4.062 1.00 0.00 O ATOM 568 CB MET A 35 7.470 6.321 4.362 1.00 0.00 C ATOM 569 CG MET A 35 8.608 5.635 5.103 1.00 0.00 C ATOM 570 SD MET A 35 9.703 6.806 5.936 1.00 0.00 S ATOM 571 CE MET A 35 8.522 7.789 6.857 1.00 0.00 C ATOM 0 H MET A 35 5.346 7.027 3.330 1.00 0.00 H new ATOM 0 HA MET A 35 7.271 5.060 2.635 1.00 0.00 H new ATOM 0 HB2 MET A 35 7.882 7.123 3.749 1.00 0.00 H new ATOM 0 HB3 MET A 35 6.805 6.786 5.090 1.00 0.00 H new ATOM 0 HG2 MET A 35 8.194 4.945 5.838 1.00 0.00 H new ATOM 0 HG3 MET A 35 9.188 5.039 4.398 1.00 0.00 H new ATOM 0 HE1 MET A 35 9.022 8.259 7.704 1.00 0.00 H new ATOM 0 HE2 MET A 35 8.105 8.559 6.208 1.00 0.00 H new ATOM 0 HE3 MET A 35 7.719 7.147 7.220 1.00 0.00 H new ATOM 581 N CYS A 36 5.203 4.302 5.089 1.00 0.00 N ATOM 582 CA CYS A 36 4.693 3.194 5.886 1.00 0.00 C ATOM 583 C CYS A 36 3.955 2.181 5.014 1.00 0.00 C ATOM 584 O CYS A 36 4.167 0.972 5.140 1.00 0.00 O ATOM 585 CB CYS A 36 3.772 3.709 6.991 1.00 0.00 C ATOM 586 SG CYS A 36 4.589 4.802 8.178 1.00 0.00 S ATOM 0 H CYS A 36 4.722 5.188 5.242 1.00 0.00 H new ATOM 0 HA CYS A 36 5.545 2.691 6.343 1.00 0.00 H new ATOM 0 HB2 CYS A 36 2.938 4.243 6.536 1.00 0.00 H new ATOM 0 HB3 CYS A 36 3.352 2.857 7.526 1.00 0.00 H new ATOM 0 HG CYS A 36 5.135 4.090 9.119 1.00 0.00 H new ATOM 592 N LEU A 37 3.101 2.678 4.125 1.00 0.00 N ATOM 593 CA LEU A 37 2.339 1.818 3.225 1.00 0.00 C ATOM 594 C LEU A 37 3.271 1.036 2.311 1.00 0.00 C ATOM 595 O LEU A 37 3.092 -0.164 2.116 1.00 0.00 O ATOM 596 CB LEU A 37 1.362 2.645 2.383 1.00 0.00 C ATOM 597 CG LEU A 37 0.206 3.285 3.156 1.00 0.00 C ATOM 598 CD1 LEU A 37 -0.589 4.215 2.254 1.00 0.00 C ATOM 599 CD2 LEU A 37 -0.701 2.215 3.742 1.00 0.00 C ATOM 0 H LEU A 37 2.919 3.675 4.008 1.00 0.00 H new ATOM 0 HA LEU A 37 1.771 1.115 3.835 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.921 3.434 1.880 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.946 2.004 1.606 1.00 0.00 H new ATOM 0 HG LEU A 37 0.625 3.871 3.974 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.406 4.661 2.821 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.064 5.003 1.878 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.995 3.649 1.415 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.517 2.689 4.288 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.110 1.604 2.937 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.128 1.584 4.422 1.00 0.00 H new ATOM 611 N GLY A 38 4.275 1.722 1.771 1.00 0.00 N ATOM 612 CA GLY A 38 5.226 1.086 0.879 1.00 0.00 C ATOM 613 C GLY A 38 5.907 -0.108 1.518 1.00 0.00 C ATOM 614 O GLY A 38 6.019 -1.167 0.902 1.00 0.00 O ATOM 0 H GLY A 38 4.446 2.714 1.938 1.00 0.00 H new ATOM 0 HA2 GLY A 38 4.712 0.766 -0.027 1.00 0.00 H new ATOM 0 HA3 GLY A 38 5.980 1.813 0.578 1.00 0.00 H new ATOM 618 N ASN A 39 6.340 0.059 2.763 1.00 0.00 N ATOM 619 CA ASN A 39 7.010 -1.017 3.491 1.00 0.00 C ATOM 620 C ASN A 39 6.049 -2.166 3.774 1.00 0.00 C ATOM 621 O ASN A 39 6.436 -3.336 3.729 1.00 0.00 O ATOM 622 CB ASN A 39 7.615 -0.496 4.796 1.00 0.00 C ATOM 623 CG ASN A 39 8.975 0.149 4.594 1.00 0.00 C ATOM 624 OD1 ASN A 39 10.006 -0.515 4.694 1.00 0.00 O ATOM 625 ND2 ASN A 39 8.989 1.443 4.309 1.00 0.00 N ATOM 0 H ASN A 39 6.240 0.927 3.290 1.00 0.00 H new ATOM 0 HA ASN A 39 7.817 -1.393 2.862 1.00 0.00 H new ATOM 0 HB2 ASN A 39 6.936 0.230 5.242 1.00 0.00 H new ATOM 0 HB3 ASN A 39 7.710 -1.320 5.503 1.00 0.00 H new ATOM 0 HD21 ASN A 39 9.877 1.924 4.164 1.00 0.00 H new ATOM 0 HD22 ASN A 39 8.112 1.958 4.235 1.00 0.00 H new ATOM 632 N ALA A 40 4.794 -1.831 4.051 1.00 0.00 N ATOM 633 CA ALA A 40 3.773 -2.840 4.300 1.00 0.00 C ATOM 634 C ALA A 40 3.502 -3.656 3.038 1.00 0.00 C ATOM 635 O ALA A 40 3.421 -4.887 3.088 1.00 0.00 O ATOM 636 CB ALA A 40 2.492 -2.189 4.801 1.00 0.00 C ATOM 0 H ALA A 40 4.460 -0.869 4.109 1.00 0.00 H new ATOM 0 HA ALA A 40 4.141 -3.517 5.071 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.740 -2.957 4.982 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.695 -1.654 5.729 1.00 0.00 H new ATOM 0 HB3 ALA A 40 2.122 -1.489 4.052 1.00 0.00 H new ATOM 642 N VAL A 41 3.382 -2.968 1.905 1.00 0.00 N ATOM 643 CA VAL A 41 3.150 -3.625 0.623 1.00 0.00 C ATOM 644 C VAL A 41 4.309 -4.561 0.281 1.00 0.00 C ATOM 645 O VAL A 41 4.096 -5.674 -0.205 1.00 0.00 O ATOM 646 CB VAL A 41 2.965 -2.596 -0.516 1.00 0.00 C ATOM 647 CG1 VAL A 41 2.725 -3.294 -1.843 1.00 0.00 C ATOM 648 CG2 VAL A 41 1.818 -1.645 -0.208 1.00 0.00 C ATOM 0 H VAL A 41 3.442 -1.951 1.850 1.00 0.00 H new ATOM 0 HA VAL A 41 2.232 -4.205 0.717 1.00 0.00 H new ATOM 0 HB VAL A 41 3.884 -2.016 -0.592 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.598 -2.549 -2.628 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.579 -3.929 -2.080 1.00 0.00 H new ATOM 0 HG13 VAL A 41 1.826 -3.906 -1.775 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.708 -0.931 -1.024 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.894 -2.213 -0.096 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.028 -1.109 0.717 1.00 0.00 H new ATOM 658 N THR A 42 5.532 -4.108 0.554 1.00 0.00 N ATOM 659 CA THR A 42 6.724 -4.914 0.307 1.00 0.00 C ATOM 660 C THR A 42 6.628 -6.265 1.017 1.00 0.00 C ATOM 661 O THR A 42 6.881 -7.308 0.415 1.00 0.00 O ATOM 662 CB THR A 42 8.007 -4.189 0.776 1.00 0.00 C ATOM 663 OG1 THR A 42 8.093 -2.895 0.163 1.00 0.00 O ATOM 664 CG2 THR A 42 9.254 -4.996 0.428 1.00 0.00 C ATOM 0 H THR A 42 5.722 -3.186 0.947 1.00 0.00 H new ATOM 0 HA THR A 42 6.781 -5.072 -0.770 1.00 0.00 H new ATOM 0 HB THR A 42 7.953 -4.081 1.859 1.00 0.00 H new ATOM 0 HG1 THR A 42 7.388 -2.316 0.521 1.00 0.00 H new ATOM 0 HG21 THR A 42 10.140 -4.462 0.770 1.00 0.00 H new ATOM 0 HG22 THR A 42 9.206 -5.969 0.917 1.00 0.00 H new ATOM 0 HG23 THR A 42 9.308 -5.135 -0.652 1.00 0.00 H new ATOM 672 N ASN A 43 6.239 -6.242 2.291 1.00 0.00 N ATOM 673 CA ASN A 43 6.126 -7.466 3.082 1.00 0.00 C ATOM 674 C ASN A 43 5.118 -8.428 2.457 1.00 0.00 C ATOM 675 O ASN A 43 5.370 -9.629 2.363 1.00 0.00 O ATOM 676 CB ASN A 43 5.713 -7.144 4.523 1.00 0.00 C ATOM 677 CG ASN A 43 5.566 -8.389 5.383 1.00 0.00 C ATOM 678 OD1 ASN A 43 6.239 -9.396 5.165 1.00 0.00 O ATOM 679 ND2 ASN A 43 4.691 -8.325 6.373 1.00 0.00 N ATOM 0 H ASN A 43 5.997 -5.390 2.797 1.00 0.00 H new ATOM 0 HA ASN A 43 7.105 -7.946 3.094 1.00 0.00 H new ATOM 0 HB2 ASN A 43 6.456 -6.484 4.971 1.00 0.00 H new ATOM 0 HB3 ASN A 43 4.768 -6.601 4.513 1.00 0.00 H new ATOM 0 HD21 ASN A 43 4.556 -9.128 6.987 1.00 0.00 H new ATOM 0 HD22 ASN A 43 4.151 -7.472 6.522 1.00 0.00 H new ATOM 686 N ILE A 44 3.986 -7.890 2.018 1.00 0.00 N ATOM 687 CA ILE A 44 2.933 -8.703 1.421 1.00 0.00 C ATOM 688 C ILE A 44 3.395 -9.318 0.100 1.00 0.00 C ATOM 689 O ILE A 44 3.241 -10.519 -0.124 1.00 0.00 O ATOM 690 CB ILE A 44 1.650 -7.876 1.184 1.00 0.00 C ATOM 691 CG1 ILE A 44 1.127 -7.306 2.508 1.00 0.00 C ATOM 692 CG2 ILE A 44 0.578 -8.721 0.508 1.00 0.00 C ATOM 693 CD1 ILE A 44 0.794 -8.363 3.545 1.00 0.00 C ATOM 0 H ILE A 44 3.774 -6.893 2.064 1.00 0.00 H new ATOM 0 HA ILE A 44 2.708 -9.503 2.126 1.00 0.00 H new ATOM 0 HB ILE A 44 1.898 -7.046 0.522 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.875 -6.629 2.921 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.235 -6.712 2.309 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.316 -8.117 0.351 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.948 -9.077 -0.453 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.334 -9.574 1.141 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.431 -7.881 4.453 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.023 -9.027 3.153 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.689 -8.942 3.775 1.00 0.00 H new ATOM 705 N ILE A 45 3.985 -8.497 -0.761 1.00 0.00 N ATOM 706 CA ILE A 45 4.438 -8.960 -2.068 1.00 0.00 C ATOM 707 C ILE A 45 5.606 -9.934 -1.936 1.00 0.00 C ATOM 708 O ILE A 45 5.761 -10.846 -2.747 1.00 0.00 O ATOM 709 CB ILE A 45 4.845 -7.777 -2.976 1.00 0.00 C ATOM 710 CG1 ILE A 45 3.644 -6.852 -3.196 1.00 0.00 C ATOM 711 CG2 ILE A 45 5.395 -8.279 -4.308 1.00 0.00 C ATOM 712 CD1 ILE A 45 3.933 -5.671 -4.099 1.00 0.00 C ATOM 0 H ILE A 45 4.161 -7.509 -0.578 1.00 0.00 H new ATOM 0 HA ILE A 45 3.599 -9.480 -2.530 1.00 0.00 H new ATOM 0 HB ILE A 45 5.636 -7.212 -2.482 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.826 -7.431 -3.624 1.00 0.00 H new ATOM 0 HG13 ILE A 45 3.302 -6.482 -2.230 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.675 -7.429 -4.930 1.00 0.00 H new ATOM 0 HG22 ILE A 45 6.272 -8.901 -4.128 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.632 -8.866 -4.819 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.033 -5.065 -4.205 1.00 0.00 H new ATOM 0 HD12 ILE A 45 4.729 -5.066 -3.664 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.245 -6.031 -5.079 1.00 0.00 H new ATOM 724 N ALA A 46 6.407 -9.762 -0.892 1.00 0.00 N ATOM 725 CA ALA A 46 7.559 -10.625 -0.667 1.00 0.00 C ATOM 726 C ALA A 46 7.121 -12.056 -0.384 1.00 0.00 C ATOM 727 O ALA A 46 7.879 -12.997 -0.606 1.00 0.00 O ATOM 728 CB ALA A 46 8.409 -10.099 0.480 1.00 0.00 C ATOM 0 H ALA A 46 6.280 -9.034 -0.189 1.00 0.00 H new ATOM 0 HA ALA A 46 8.161 -10.623 -1.576 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.264 -10.758 0.631 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.762 -9.096 0.241 1.00 0.00 H new ATOM 0 HB3 ALA A 46 7.811 -10.066 1.391 1.00 0.00 H new ATOM 734 N GLN A 47 5.890 -12.210 0.091 1.00 0.00 N ATOM 735 CA GLN A 47 5.351 -13.521 0.433 1.00 0.00 C ATOM 736 C GLN A 47 4.828 -14.242 -0.807 1.00 0.00 C ATOM 737 O GLN A 47 4.518 -15.433 -0.762 1.00 0.00 O ATOM 738 CB GLN A 47 4.234 -13.372 1.466 1.00 0.00 C ATOM 739 CG GLN A 47 4.693 -12.695 2.746 1.00 0.00 C ATOM 740 CD GLN A 47 3.553 -12.387 3.694 1.00 0.00 C ATOM 741 OE1 GLN A 47 2.553 -13.104 3.743 1.00 0.00 O ATOM 742 NE2 GLN A 47 3.691 -11.302 4.441 1.00 0.00 N ATOM 0 H GLN A 47 5.243 -11.437 0.249 1.00 0.00 H new ATOM 0 HA GLN A 47 6.156 -14.121 0.857 1.00 0.00 H new ATOM 0 HB2 GLN A 47 3.418 -12.796 1.030 1.00 0.00 H new ATOM 0 HB3 GLN A 47 3.835 -14.358 1.706 1.00 0.00 H new ATOM 0 HG2 GLN A 47 5.415 -13.337 3.251 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.210 -11.769 2.495 1.00 0.00 H new ATOM 0 HE21 GLN A 47 4.537 -10.737 4.368 1.00 0.00 H new ATOM 0 HE22 GLN A 47 2.951 -11.032 5.089 1.00 0.00 H new ATOM 751 N VAL A 48 4.743 -13.515 -1.909 1.00 0.00 N ATOM 752 CA VAL A 48 4.282 -14.081 -3.169 1.00 0.00 C ATOM 753 C VAL A 48 5.413 -14.866 -3.831 1.00 0.00 C ATOM 754 O VAL A 48 6.559 -14.425 -3.823 1.00 0.00 O ATOM 755 CB VAL A 48 3.793 -12.969 -4.126 1.00 0.00 C ATOM 756 CG1 VAL A 48 3.205 -13.552 -5.400 1.00 0.00 C ATOM 757 CG2 VAL A 48 2.779 -12.072 -3.434 1.00 0.00 C ATOM 0 H VAL A 48 4.988 -12.526 -1.958 1.00 0.00 H new ATOM 0 HA VAL A 48 3.448 -14.750 -2.958 1.00 0.00 H new ATOM 0 HB VAL A 48 4.659 -12.367 -4.402 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.871 -12.743 -6.050 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.964 -14.141 -5.915 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.357 -14.190 -5.151 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.448 -11.297 -4.125 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.922 -12.667 -3.119 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.239 -11.608 -2.561 1.00 0.00 H new ATOM 767 N PRO A 49 5.118 -16.058 -4.373 1.00 0.00 N ATOM 768 CA PRO A 49 6.113 -16.871 -5.079 1.00 0.00 C ATOM 769 C PRO A 49 6.689 -16.167 -6.306 1.00 0.00 C ATOM 770 O PRO A 49 5.996 -15.400 -6.982 1.00 0.00 O ATOM 771 CB PRO A 49 5.337 -18.126 -5.492 1.00 0.00 C ATOM 772 CG PRO A 49 4.148 -18.161 -4.595 1.00 0.00 C ATOM 773 CD PRO A 49 3.809 -16.727 -4.310 1.00 0.00 C ATOM 0 HA PRO A 49 6.976 -17.081 -4.447 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.039 -18.078 -6.539 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.946 -19.022 -5.374 1.00 0.00 H new ATOM 0 HG2 PRO A 49 3.313 -18.673 -5.073 1.00 0.00 H new ATOM 0 HG3 PRO A 49 4.368 -18.701 -3.674 1.00 0.00 H new ATOM 0 HD2 PRO A 49 3.114 -16.323 -5.046 1.00 0.00 H new ATOM 0 HD3 PRO A 49 3.342 -16.609 -3.332 1.00 0.00 H new ATOM 781 N GLU A 50 7.954 -16.469 -6.592 1.00 0.00 N ATOM 782 CA GLU A 50 8.731 -15.802 -7.637 1.00 0.00 C ATOM 783 C GLU A 50 8.001 -15.770 -8.982 1.00 0.00 C ATOM 784 O GLU A 50 8.158 -14.821 -9.755 1.00 0.00 O ATOM 785 CB GLU A 50 10.069 -16.525 -7.817 1.00 0.00 C ATOM 786 CG GLU A 50 11.136 -15.682 -8.490 1.00 0.00 C ATOM 787 CD GLU A 50 11.727 -14.653 -7.551 1.00 0.00 C ATOM 788 OE1 GLU A 50 11.020 -13.694 -7.186 1.00 0.00 O ATOM 789 OE2 GLU A 50 12.898 -14.816 -7.153 1.00 0.00 O ATOM 0 H GLU A 50 8.476 -17.193 -6.098 1.00 0.00 H new ATOM 0 HA GLU A 50 8.884 -14.771 -7.317 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.433 -16.843 -6.840 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.907 -17.427 -8.406 1.00 0.00 H new ATOM 0 HG2 GLU A 50 11.929 -16.331 -8.861 1.00 0.00 H new ATOM 0 HG3 GLU A 50 10.706 -15.177 -9.355 1.00 0.00 H new ATOM 796 N SER A 51 7.217 -16.810 -9.257 1.00 0.00 N ATOM 797 CA SER A 51 6.507 -16.936 -10.525 1.00 0.00 C ATOM 798 C SER A 51 5.671 -15.691 -10.834 1.00 0.00 C ATOM 799 O SER A 51 5.687 -15.191 -11.961 1.00 0.00 O ATOM 800 CB SER A 51 5.609 -18.181 -10.505 1.00 0.00 C ATOM 801 OG SER A 51 4.897 -18.329 -11.724 1.00 0.00 O ATOM 0 H SER A 51 7.057 -17.583 -8.611 1.00 0.00 H new ATOM 0 HA SER A 51 7.253 -17.039 -11.313 1.00 0.00 H new ATOM 0 HB2 SER A 51 6.218 -19.067 -10.328 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.904 -18.109 -9.677 1.00 0.00 H new ATOM 0 HG SER A 51 4.336 -19.131 -11.680 1.00 0.00 H new ATOM 807 N LYS A 52 4.971 -15.167 -9.834 1.00 0.00 N ATOM 808 CA LYS A 52 4.056 -14.055 -10.062 1.00 0.00 C ATOM 809 C LYS A 52 4.374 -12.863 -9.158 1.00 0.00 C ATOM 810 O LYS A 52 3.684 -11.846 -9.201 1.00 0.00 O ATOM 811 CB LYS A 52 2.612 -14.518 -9.843 1.00 0.00 C ATOM 812 CG LYS A 52 2.353 -15.063 -8.447 1.00 0.00 C ATOM 813 CD LYS A 52 0.909 -15.517 -8.257 1.00 0.00 C ATOM 814 CE LYS A 52 0.657 -16.918 -8.810 1.00 0.00 C ATOM 815 NZ LYS A 52 0.639 -16.964 -10.298 1.00 0.00 N ATOM 0 H LYS A 52 5.018 -15.490 -8.868 1.00 0.00 H new ATOM 0 HA LYS A 52 4.180 -13.724 -11.093 1.00 0.00 H new ATOM 0 HB2 LYS A 52 1.939 -13.681 -10.028 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.371 -15.289 -10.575 1.00 0.00 H new ATOM 0 HG2 LYS A 52 3.022 -15.902 -8.258 1.00 0.00 H new ATOM 0 HG3 LYS A 52 2.589 -14.295 -7.711 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.663 -15.500 -7.195 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.242 -14.810 -8.750 1.00 0.00 H new ATOM 0 HE2 LYS A 52 1.430 -17.592 -8.441 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.296 -17.286 -8.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.083 -17.642 -10.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.415 -16.020 -10.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 1.572 -17.262 -10.647 1.00 0.00 H new ATOM 829 N ARG A 53 5.433 -12.980 -8.364 1.00 0.00 N ATOM 830 CA ARG A 53 5.790 -11.946 -7.392 1.00 0.00 C ATOM 831 C ARG A 53 6.183 -10.635 -8.075 1.00 0.00 C ATOM 832 O ARG A 53 5.897 -9.550 -7.569 1.00 0.00 O ATOM 833 CB ARG A 53 6.921 -12.443 -6.484 1.00 0.00 C ATOM 834 CG ARG A 53 7.454 -11.396 -5.520 1.00 0.00 C ATOM 835 CD ARG A 53 8.211 -12.031 -4.363 1.00 0.00 C ATOM 836 NE ARG A 53 9.248 -12.957 -4.811 1.00 0.00 N ATOM 837 CZ ARG A 53 9.995 -13.697 -3.992 1.00 0.00 C ATOM 838 NH1 ARG A 53 9.762 -13.704 -2.685 1.00 0.00 N ATOM 839 NH2 ARG A 53 10.964 -14.451 -4.486 1.00 0.00 N ATOM 0 H ARG A 53 6.063 -13.782 -8.373 1.00 0.00 H new ATOM 0 HA ARG A 53 4.909 -11.742 -6.783 1.00 0.00 H new ATOM 0 HB2 ARG A 53 6.562 -13.298 -5.911 1.00 0.00 H new ATOM 0 HB3 ARG A 53 7.742 -12.798 -7.107 1.00 0.00 H new ATOM 0 HG2 ARG A 53 8.113 -10.711 -6.054 1.00 0.00 H new ATOM 0 HG3 ARG A 53 6.626 -10.803 -5.132 1.00 0.00 H new ATOM 0 HD2 ARG A 53 8.666 -11.247 -3.758 1.00 0.00 H new ATOM 0 HD3 ARG A 53 7.508 -12.562 -3.721 1.00 0.00 H new ATOM 0 HE ARG A 53 9.411 -13.043 -5.814 1.00 0.00 H new ATOM 0 HH11 ARG A 53 9.005 -13.139 -2.299 1.00 0.00 H new ATOM 0 HH12 ARG A 53 10.340 -14.274 -2.067 1.00 0.00 H new ATOM 0 HH21 ARG A 53 11.138 -14.465 -5.491 1.00 0.00 H new ATOM 0 HH22 ARG A 53 11.537 -15.018 -3.862 1.00 0.00 H new ATOM 853 N VAL A 54 6.816 -10.734 -9.231 1.00 0.00 N ATOM 854 CA VAL A 54 7.224 -9.548 -9.967 1.00 0.00 C ATOM 855 C VAL A 54 6.053 -9.024 -10.795 1.00 0.00 C ATOM 856 O VAL A 54 5.913 -7.819 -11.019 1.00 0.00 O ATOM 857 CB VAL A 54 8.435 -9.841 -10.882 1.00 0.00 C ATOM 858 CG1 VAL A 54 8.903 -8.578 -11.590 1.00 0.00 C ATOM 859 CG2 VAL A 54 9.575 -10.452 -10.078 1.00 0.00 C ATOM 0 H VAL A 54 7.058 -11.618 -9.679 1.00 0.00 H new ATOM 0 HA VAL A 54 7.527 -8.788 -9.246 1.00 0.00 H new ATOM 0 HB VAL A 54 8.119 -10.557 -11.640 1.00 0.00 H new ATOM 0 HG11 VAL A 54 9.756 -8.813 -12.227 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.092 -8.182 -12.201 1.00 0.00 H new ATOM 0 HG13 VAL A 54 9.197 -7.834 -10.850 1.00 0.00 H new ATOM 0 HG21 VAL A 54 10.419 -10.652 -10.738 1.00 0.00 H new ATOM 0 HG22 VAL A 54 9.882 -9.757 -9.296 1.00 0.00 H new ATOM 0 HG23 VAL A 54 9.241 -11.385 -9.624 1.00 0.00 H new ATOM 869 N ALA A 55 5.193 -9.942 -11.219 1.00 0.00 N ATOM 870 CA ALA A 55 4.025 -9.592 -12.015 1.00 0.00 C ATOM 871 C ALA A 55 2.986 -8.839 -11.185 1.00 0.00 C ATOM 872 O ALA A 55 2.372 -7.880 -11.665 1.00 0.00 O ATOM 873 CB ALA A 55 3.409 -10.842 -12.624 1.00 0.00 C ATOM 0 H ALA A 55 5.284 -10.939 -11.023 1.00 0.00 H new ATOM 0 HA ALA A 55 4.354 -8.930 -12.816 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.537 -10.566 -13.217 1.00 0.00 H new ATOM 0 HB2 ALA A 55 4.142 -11.334 -13.264 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.107 -11.523 -11.829 1.00 0.00 H new ATOM 879 N VAL A 56 2.787 -9.269 -9.942 1.00 0.00 N ATOM 880 CA VAL A 56 1.783 -8.655 -9.079 1.00 0.00 C ATOM 881 C VAL A 56 2.158 -7.225 -8.701 1.00 0.00 C ATOM 882 O VAL A 56 1.300 -6.346 -8.685 1.00 0.00 O ATOM 883 CB VAL A 56 1.508 -9.478 -7.797 1.00 0.00 C ATOM 884 CG1 VAL A 56 0.856 -10.805 -8.146 1.00 0.00 C ATOM 885 CG2 VAL A 56 2.781 -9.702 -6.995 1.00 0.00 C ATOM 0 H VAL A 56 3.304 -10.036 -9.512 1.00 0.00 H new ATOM 0 HA VAL A 56 0.865 -8.637 -9.667 1.00 0.00 H new ATOM 0 HB VAL A 56 0.821 -8.904 -7.175 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.670 -11.370 -7.233 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.088 -10.623 -8.659 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.518 -11.376 -8.797 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.551 -10.283 -6.102 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.504 -10.244 -7.604 1.00 0.00 H new ATOM 0 HG23 VAL A 56 3.201 -8.740 -6.703 1.00 0.00 H new ATOM 895 N VAL A 57 3.437 -6.983 -8.416 1.00 0.00 N ATOM 896 CA VAL A 57 3.883 -5.639 -8.060 1.00 0.00 C ATOM 897 C VAL A 57 3.830 -4.716 -9.274 1.00 0.00 C ATOM 898 O VAL A 57 3.527 -3.530 -9.149 1.00 0.00 O ATOM 899 CB VAL A 57 5.306 -5.629 -7.440 1.00 0.00 C ATOM 900 CG1 VAL A 57 6.337 -6.245 -8.375 1.00 0.00 C ATOM 901 CG2 VAL A 57 5.714 -4.212 -7.052 1.00 0.00 C ATOM 0 H VAL A 57 4.173 -7.690 -8.424 1.00 0.00 H new ATOM 0 HA VAL A 57 3.196 -5.271 -7.298 1.00 0.00 H new ATOM 0 HB VAL A 57 5.273 -6.243 -6.540 1.00 0.00 H new ATOM 0 HG11 VAL A 57 7.319 -6.218 -7.902 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.064 -7.279 -8.587 1.00 0.00 H new ATOM 0 HG13 VAL A 57 6.367 -5.680 -9.307 1.00 0.00 H new ATOM 0 HG21 VAL A 57 6.714 -4.227 -6.619 1.00 0.00 H new ATOM 0 HG22 VAL A 57 5.711 -3.577 -7.938 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.008 -3.818 -6.321 1.00 0.00 H new ATOM 911 N ASP A 58 4.097 -5.271 -10.454 1.00 0.00 N ATOM 912 CA ASP A 58 4.039 -4.493 -11.686 1.00 0.00 C ATOM 913 C ASP A 58 2.604 -4.053 -11.948 1.00 0.00 C ATOM 914 O ASP A 58 2.339 -2.884 -12.225 1.00 0.00 O ATOM 915 CB ASP A 58 4.547 -5.315 -12.869 1.00 0.00 C ATOM 916 CG ASP A 58 5.262 -4.471 -13.908 1.00 0.00 C ATOM 917 OD1 ASP A 58 5.090 -3.234 -13.916 1.00 0.00 O ATOM 918 OD2 ASP A 58 6.027 -5.045 -14.714 1.00 0.00 O ATOM 0 H ASP A 58 4.354 -6.250 -10.582 1.00 0.00 H new ATOM 0 HA ASP A 58 4.677 -3.616 -11.572 1.00 0.00 H new ATOM 0 HB2 ASP A 58 5.225 -6.086 -12.505 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.706 -5.826 -13.338 1.00 0.00 H new ATOM 923 N ASN A 59 1.676 -5.003 -11.832 1.00 0.00 N ATOM 924 CA ASN A 59 0.251 -4.713 -11.977 1.00 0.00 C ATOM 925 C ASN A 59 -0.206 -3.731 -10.910 1.00 0.00 C ATOM 926 O ASN A 59 -1.028 -2.854 -11.172 1.00 0.00 O ATOM 927 CB ASN A 59 -0.585 -5.994 -11.884 1.00 0.00 C ATOM 928 CG ASN A 59 -0.679 -6.735 -13.202 1.00 0.00 C ATOM 929 OD1 ASN A 59 -1.578 -6.479 -14.004 1.00 0.00 O ATOM 930 ND2 ASN A 59 0.236 -7.666 -13.436 1.00 0.00 N ATOM 0 H ASN A 59 1.887 -5.982 -11.638 1.00 0.00 H new ATOM 0 HA ASN A 59 0.104 -4.269 -12.962 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -0.148 -6.653 -11.133 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -1.589 -5.742 -11.542 1.00 0.00 H new ATOM 0 HD21 ASN A 59 0.210 -8.199 -14.305 1.00 0.00 H new ATOM 0 HD22 ASN A 59 0.965 -7.849 -12.747 1.00 0.00 H new ATOM 937 N PHE A 60 0.334 -3.890 -9.707 1.00 0.00 N ATOM 938 CA PHE A 60 0.031 -2.997 -8.596 1.00 0.00 C ATOM 939 C PHE A 60 0.402 -1.565 -8.957 1.00 0.00 C ATOM 940 O PHE A 60 -0.412 -0.649 -8.835 1.00 0.00 O ATOM 941 CB PHE A 60 0.807 -3.437 -7.353 1.00 0.00 C ATOM 942 CG PHE A 60 0.367 -2.770 -6.080 1.00 0.00 C ATOM 943 CD1 PHE A 60 -0.834 -3.116 -5.480 1.00 0.00 C ATOM 944 CD2 PHE A 60 1.162 -1.814 -5.473 1.00 0.00 C ATOM 945 CE1 PHE A 60 -1.230 -2.518 -4.300 1.00 0.00 C ATOM 946 CE2 PHE A 60 0.767 -1.211 -4.294 1.00 0.00 C ATOM 947 CZ PHE A 60 -0.428 -1.563 -3.706 1.00 0.00 C ATOM 0 H PHE A 60 0.990 -4.636 -9.476 1.00 0.00 H new ATOM 0 HA PHE A 60 -1.038 -3.042 -8.387 1.00 0.00 H new ATOM 0 HB2 PHE A 60 0.704 -4.516 -7.238 1.00 0.00 H new ATOM 0 HB3 PHE A 60 1.866 -3.232 -7.509 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -1.466 -3.861 -5.940 1.00 0.00 H new ATOM 0 HD2 PHE A 60 2.102 -1.536 -5.926 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -2.167 -2.797 -3.841 1.00 0.00 H new ATOM 0 HE2 PHE A 60 1.396 -0.463 -3.833 1.00 0.00 H new ATOM 0 HZ PHE A 60 -0.737 -1.094 -2.784 1.00 0.00 H new ATOM 957 N THR A 61 1.632 -1.387 -9.423 1.00 0.00 N ATOM 958 CA THR A 61 2.124 -0.074 -9.795 1.00 0.00 C ATOM 959 C THR A 61 1.362 0.483 -10.999 1.00 0.00 C ATOM 960 O THR A 61 1.099 1.688 -11.077 1.00 0.00 O ATOM 961 CB THR A 61 3.644 -0.105 -10.077 1.00 0.00 C ATOM 962 OG1 THR A 61 3.971 -1.076 -11.083 1.00 0.00 O ATOM 963 CG2 THR A 61 4.417 -0.422 -8.805 1.00 0.00 C ATOM 0 H THR A 61 2.307 -2.141 -9.551 1.00 0.00 H new ATOM 0 HA THR A 61 1.951 0.592 -8.949 1.00 0.00 H new ATOM 0 HB THR A 61 3.927 0.883 -10.440 1.00 0.00 H new ATOM 0 HG1 THR A 61 3.152 -1.522 -11.385 1.00 0.00 H new ATOM 0 HG21 THR A 61 5.485 -0.440 -9.023 1.00 0.00 H new ATOM 0 HG22 THR A 61 4.212 0.342 -8.055 1.00 0.00 H new ATOM 0 HG23 THR A 61 4.108 -1.396 -8.425 1.00 0.00 H new ATOM 971 N LYS A 62 0.991 -0.406 -11.920 1.00 0.00 N ATOM 972 CA LYS A 62 0.183 -0.027 -13.073 1.00 0.00 C ATOM 973 C LYS A 62 -1.173 0.515 -12.617 1.00 0.00 C ATOM 974 O LYS A 62 -1.594 1.597 -13.031 1.00 0.00 O ATOM 975 CB LYS A 62 -0.020 -1.241 -13.987 1.00 0.00 C ATOM 976 CG LYS A 62 -0.882 -0.963 -15.211 1.00 0.00 C ATOM 977 CD LYS A 62 -0.173 -0.065 -16.214 1.00 0.00 C ATOM 978 CE LYS A 62 -1.088 0.295 -17.374 1.00 0.00 C ATOM 979 NZ LYS A 62 -0.371 1.035 -18.447 1.00 0.00 N ATOM 0 H LYS A 62 1.239 -1.395 -11.888 1.00 0.00 H new ATOM 0 HA LYS A 62 0.704 0.755 -13.625 1.00 0.00 H new ATOM 0 HB2 LYS A 62 0.955 -1.600 -14.317 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.477 -2.044 -13.409 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.145 -1.906 -15.691 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.814 -0.493 -14.899 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.163 0.845 -15.717 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.716 -0.569 -16.592 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -1.520 -0.615 -17.789 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -1.915 0.902 -17.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -1.034 1.259 -19.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.020 1.917 -18.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.403 0.447 -18.817 1.00 0.00 H new ATOM 993 N ALA A 63 -1.838 -0.241 -11.748 1.00 0.00 N ATOM 994 CA ALA A 63 -3.163 0.122 -11.254 1.00 0.00 C ATOM 995 C ALA A 63 -3.123 1.416 -10.448 1.00 0.00 C ATOM 996 O ALA A 63 -4.044 2.234 -10.535 1.00 0.00 O ATOM 997 CB ALA A 63 -3.741 -1.008 -10.413 1.00 0.00 C ATOM 0 H ALA A 63 -1.477 -1.116 -11.369 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.807 0.287 -12.117 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.729 -0.724 -10.051 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -3.823 -1.909 -11.021 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -3.086 -1.202 -9.564 1.00 0.00 H new ATOM 1003 N LEU A 64 -2.062 1.591 -9.666 1.00 0.00 N ATOM 1004 CA LEU A 64 -1.875 2.806 -8.879 1.00 0.00 C ATOM 1005 C LEU A 64 -1.903 4.042 -9.767 1.00 0.00 C ATOM 1006 O LEU A 64 -2.766 4.907 -9.612 1.00 0.00 O ATOM 1007 CB LEU A 64 -0.550 2.757 -8.112 1.00 0.00 C ATOM 1008 CG LEU A 64 -0.569 1.951 -6.816 1.00 0.00 C ATOM 1009 CD1 LEU A 64 0.841 1.797 -6.273 1.00 0.00 C ATOM 1010 CD2 LEU A 64 -1.456 2.630 -5.784 1.00 0.00 C ATOM 0 H LEU A 64 -1.316 0.904 -9.560 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.698 2.866 -8.167 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.214 2.339 -8.768 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.247 3.778 -7.880 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.974 0.962 -7.028 1.00 0.00 H new ATOM 0 HD11 LEU A 64 0.814 1.220 -5.348 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.459 1.278 -7.006 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.264 2.782 -6.074 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.460 2.044 -4.865 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.073 3.629 -5.576 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -2.472 2.705 -6.171 1.00 0.00 H new ATOM 1022 N LYS A 65 -0.972 4.109 -10.713 1.00 0.00 N ATOM 1023 CA LYS A 65 -0.854 5.275 -11.586 1.00 0.00 C ATOM 1024 C LYS A 65 -2.127 5.480 -12.405 1.00 0.00 C ATOM 1025 O LYS A 65 -2.560 6.610 -12.625 1.00 0.00 O ATOM 1026 CB LYS A 65 0.359 5.133 -12.510 1.00 0.00 C ATOM 1027 CG LYS A 65 1.692 5.182 -11.774 1.00 0.00 C ATOM 1028 CD LYS A 65 2.875 5.115 -12.731 1.00 0.00 C ATOM 1029 CE LYS A 65 2.991 3.753 -13.392 1.00 0.00 C ATOM 1030 NZ LYS A 65 4.153 3.686 -14.317 1.00 0.00 N ATOM 0 H LYS A 65 -0.290 3.373 -10.896 1.00 0.00 H new ATOM 0 HA LYS A 65 -0.712 6.153 -10.956 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.286 4.189 -13.050 1.00 0.00 H new ATOM 0 HB3 LYS A 65 0.334 5.929 -13.254 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.750 6.100 -11.190 1.00 0.00 H new ATOM 0 HG3 LYS A 65 1.748 4.352 -11.070 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.766 5.883 -13.497 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.794 5.335 -12.188 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.092 2.984 -12.626 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.075 3.537 -13.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.199 2.741 -14.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.045 4.403 -15.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.029 3.867 -13.787 1.00 0.00 H new ATOM 1044 N GLN A 66 -2.728 4.376 -12.826 1.00 0.00 N ATOM 1045 CA GLN A 66 -3.974 4.406 -13.587 1.00 0.00 C ATOM 1046 C GLN A 66 -5.091 5.085 -12.789 1.00 0.00 C ATOM 1047 O GLN A 66 -5.775 5.979 -13.290 1.00 0.00 O ATOM 1048 CB GLN A 66 -4.378 2.975 -13.949 1.00 0.00 C ATOM 1049 CG GLN A 66 -5.695 2.860 -14.703 1.00 0.00 C ATOM 1050 CD GLN A 66 -6.034 1.424 -15.052 1.00 0.00 C ATOM 1051 OE1 GLN A 66 -7.204 1.050 -15.143 1.00 0.00 O ATOM 1052 NE2 GLN A 66 -5.010 0.610 -15.253 1.00 0.00 N ATOM 0 H GLN A 66 -2.369 3.437 -12.652 1.00 0.00 H new ATOM 0 HA GLN A 66 -3.816 4.985 -14.497 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -3.588 2.531 -14.554 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -4.446 2.388 -13.033 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -6.496 3.283 -14.097 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -5.641 3.451 -15.617 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -4.056 0.960 -15.168 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -5.175 -0.367 -15.493 1.00 0.00 H new ATOM 1061 N SER A 67 -5.253 4.669 -11.539 1.00 0.00 N ATOM 1062 CA SER A 67 -6.329 5.173 -10.692 1.00 0.00 C ATOM 1063 C SER A 67 -6.067 6.613 -10.254 1.00 0.00 C ATOM 1064 O SER A 67 -7.005 7.370 -9.984 1.00 0.00 O ATOM 1065 CB SER A 67 -6.488 4.267 -9.471 1.00 0.00 C ATOM 1066 OG SER A 67 -6.715 2.924 -9.867 1.00 0.00 O ATOM 0 H SER A 67 -4.651 3.981 -11.087 1.00 0.00 H new ATOM 0 HA SER A 67 -7.252 5.168 -11.271 1.00 0.00 H new ATOM 0 HB2 SER A 67 -5.592 4.322 -8.852 1.00 0.00 H new ATOM 0 HB3 SER A 67 -7.320 4.616 -8.859 1.00 0.00 H new ATOM 0 HG SER A 67 -5.867 2.516 -10.142 1.00 0.00 H new ATOM 1072 N VAL A 68 -4.798 6.990 -10.190 1.00 0.00 N ATOM 1073 CA VAL A 68 -4.420 8.333 -9.767 1.00 0.00 C ATOM 1074 C VAL A 68 -4.630 9.351 -10.887 1.00 0.00 C ATOM 1075 O VAL A 68 -5.197 10.426 -10.662 1.00 0.00 O ATOM 1076 CB VAL A 68 -2.951 8.376 -9.288 1.00 0.00 C ATOM 1077 CG1 VAL A 68 -2.484 9.807 -9.070 1.00 0.00 C ATOM 1078 CG2 VAL A 68 -2.789 7.574 -8.003 1.00 0.00 C ATOM 0 H VAL A 68 -4.011 6.385 -10.426 1.00 0.00 H new ATOM 0 HA VAL A 68 -5.068 8.599 -8.932 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.333 7.931 -10.068 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -1.447 9.804 -8.733 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -2.560 10.361 -10.006 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.109 10.283 -8.315 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.749 7.614 -7.678 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.428 7.996 -7.227 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.074 6.537 -8.183 1.00 0.00 H new ATOM 1088 N LEU A 69 -4.188 9.007 -12.092 1.00 0.00 N ATOM 1089 CA LEU A 69 -4.281 9.921 -13.228 1.00 0.00 C ATOM 1090 C LEU A 69 -5.732 10.188 -13.609 1.00 0.00 C ATOM 1091 O LEU A 69 -6.081 11.293 -14.030 1.00 0.00 O ATOM 1092 CB LEU A 69 -3.515 9.371 -14.434 1.00 0.00 C ATOM 1093 CG LEU A 69 -1.998 9.287 -14.259 1.00 0.00 C ATOM 1094 CD1 LEU A 69 -1.346 8.771 -15.529 1.00 0.00 C ATOM 1095 CD2 LEU A 69 -1.428 10.646 -13.884 1.00 0.00 C ATOM 0 H LEU A 69 -3.763 8.105 -12.308 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.828 10.865 -12.925 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.894 8.375 -14.661 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.731 9.999 -15.298 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.783 8.588 -13.450 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.267 8.717 -15.388 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.732 7.778 -15.758 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -1.571 9.447 -16.354 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.348 10.567 -13.764 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.654 11.365 -14.671 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.874 10.982 -12.948 1.00 0.00 H new ATOM 1354 N SER B 8 9.797 9.990 13.909 1.00 0.00 N ATOM 1355 CA SER B 8 10.562 9.008 14.644 1.00 0.00 C ATOM 1356 C SER B 8 10.368 7.647 13.992 1.00 0.00 C ATOM 1357 O SER B 8 9.246 7.140 13.938 1.00 0.00 O ATOM 1358 CB SER B 8 10.117 8.980 16.103 1.00 0.00 C ATOM 1359 OG SER B 8 10.187 10.276 16.676 1.00 0.00 O ATOM 0 HA SER B 8 11.620 9.269 14.622 1.00 0.00 H new ATOM 0 HB2 SER B 8 9.097 8.603 16.169 1.00 0.00 H new ATOM 0 HB3 SER B 8 10.748 8.293 16.667 1.00 0.00 H new ATOM 0 HG SER B 8 10.147 10.950 15.966 1.00 0.00 H new ATOM 1365 N ASN B 9 11.455 7.067 13.494 1.00 0.00 N ATOM 1366 CA ASN B 9 11.391 5.826 12.722 1.00 0.00 C ATOM 1367 C ASN B 9 10.775 4.700 13.542 1.00 0.00 C ATOM 1368 O ASN B 9 10.182 3.777 12.988 1.00 0.00 O ATOM 1369 CB ASN B 9 12.780 5.421 12.217 1.00 0.00 C ATOM 1370 CG ASN B 9 13.343 6.401 11.196 1.00 0.00 C ATOM 1371 OD1 ASN B 9 13.104 6.275 9.990 1.00 0.00 O ATOM 1372 ND2 ASN B 9 14.094 7.384 11.667 1.00 0.00 N ATOM 0 H ASN B 9 12.398 7.438 13.611 1.00 0.00 H new ATOM 0 HA ASN B 9 10.751 6.008 11.858 1.00 0.00 H new ATOM 0 HB2 ASN B 9 13.464 5.351 13.063 1.00 0.00 H new ATOM 0 HB3 ASN B 9 12.724 4.429 11.770 1.00 0.00 H new ATOM 0 HD21 ASN B 9 14.497 8.069 11.028 1.00 0.00 H new ATOM 0 HD22 ASN B 9 14.270 7.456 12.669 1.00 0.00 H new ATOM 1379 N GLU B 10 10.907 4.792 14.862 1.00 0.00 N ATOM 1380 CA GLU B 10 10.238 3.863 15.765 1.00 0.00 C ATOM 1381 C GLU B 10 8.735 3.864 15.501 1.00 0.00 C ATOM 1382 O GLU B 10 8.141 2.823 15.212 1.00 0.00 O ATOM 1383 CB GLU B 10 10.500 4.254 17.220 1.00 0.00 C ATOM 1384 CG GLU B 10 9.693 3.436 18.217 1.00 0.00 C ATOM 1385 CD GLU B 10 9.735 4.009 19.615 1.00 0.00 C ATOM 1386 OE1 GLU B 10 9.045 5.018 19.871 1.00 0.00 O ATOM 1387 OE2 GLU B 10 10.443 3.446 20.471 1.00 0.00 O ATOM 0 H GLU B 10 11.472 5.501 15.330 1.00 0.00 H new ATOM 0 HA GLU B 10 10.635 2.864 15.587 1.00 0.00 H new ATOM 0 HB2 GLU B 10 11.562 4.133 17.436 1.00 0.00 H new ATOM 0 HB3 GLU B 10 10.266 5.310 17.353 1.00 0.00 H new ATOM 0 HG2 GLU B 10 8.657 3.383 17.882 1.00 0.00 H new ATOM 0 HG3 GLU B 10 10.075 2.415 18.236 1.00 0.00 H new ATOM 1394 N ARG B 11 8.131 5.048 15.584 1.00 0.00 N ATOM 1395 CA ARG B 11 6.700 5.192 15.369 1.00 0.00 C ATOM 1396 C ARG B 11 6.351 4.949 13.907 1.00 0.00 C ATOM 1397 O ARG B 11 5.302 4.394 13.602 1.00 0.00 O ATOM 1398 CB ARG B 11 6.206 6.574 15.810 1.00 0.00 C ATOM 1399 CG ARG B 11 4.746 6.816 15.467 1.00 0.00 C ATOM 1400 CD ARG B 11 4.187 8.036 16.169 1.00 0.00 C ATOM 1401 NE ARG B 11 2.736 8.129 16.009 1.00 0.00 N ATOM 1402 CZ ARG B 11 1.996 9.123 16.492 1.00 0.00 C ATOM 1403 NH1 ARG B 11 2.576 10.140 17.122 1.00 0.00 N ATOM 1404 NH2 ARG B 11 0.676 9.091 16.349 1.00 0.00 N ATOM 0 H ARG B 11 8.615 5.920 15.799 1.00 0.00 H new ATOM 0 HA ARG B 11 6.196 4.443 15.980 1.00 0.00 H new ATOM 0 HB2 ARG B 11 6.343 6.677 16.886 1.00 0.00 H new ATOM 0 HB3 ARG B 11 6.818 7.342 15.336 1.00 0.00 H new ATOM 0 HG2 ARG B 11 4.644 6.941 14.389 1.00 0.00 H new ATOM 0 HG3 ARG B 11 4.160 5.940 15.743 1.00 0.00 H new ATOM 0 HD2 ARG B 11 4.435 7.992 17.230 1.00 0.00 H new ATOM 0 HD3 ARG B 11 4.657 8.934 15.769 1.00 0.00 H new ATOM 0 HE ARG B 11 2.263 7.386 15.495 1.00 0.00 H new ATOM 0 HH11 ARG B 11 3.590 10.158 17.235 1.00 0.00 H new ATOM 0 HH12 ARG B 11 2.007 10.902 17.492 1.00 0.00 H new ATOM 0 HH21 ARG B 11 0.234 8.306 15.870 1.00 0.00 H new ATOM 0 HH22 ARG B 11 0.104 9.851 16.718 1.00 0.00 H new ATOM 1418 N VAL B 12 7.240 5.358 13.011 1.00 0.00 N ATOM 1419 CA VAL B 12 7.052 5.106 11.589 1.00 0.00 C ATOM 1420 C VAL B 12 6.868 3.608 11.341 1.00 0.00 C ATOM 1421 O VAL B 12 5.961 3.193 10.614 1.00 0.00 O ATOM 1422 CB VAL B 12 8.240 5.640 10.755 1.00 0.00 C ATOM 1423 CG1 VAL B 12 8.122 5.214 9.298 1.00 0.00 C ATOM 1424 CG2 VAL B 12 8.318 7.158 10.856 1.00 0.00 C ATOM 0 H VAL B 12 8.095 5.864 13.243 1.00 0.00 H new ATOM 0 HA VAL B 12 6.155 5.638 11.272 1.00 0.00 H new ATOM 0 HB VAL B 12 9.157 5.211 11.160 1.00 0.00 H new ATOM 0 HG11 VAL B 12 8.970 5.603 8.735 1.00 0.00 H new ATOM 0 HG12 VAL B 12 8.114 4.126 9.237 1.00 0.00 H new ATOM 0 HG13 VAL B 12 7.196 5.608 8.878 1.00 0.00 H new ATOM 0 HG21 VAL B 12 9.159 7.519 10.264 1.00 0.00 H new ATOM 0 HG22 VAL B 12 7.394 7.596 10.479 1.00 0.00 H new ATOM 0 HG23 VAL B 12 8.457 7.447 11.898 1.00 0.00 H new ATOM 1434 N GLU B 13 7.712 2.800 11.979 1.00 0.00 N ATOM 1435 CA GLU B 13 7.603 1.352 11.878 1.00 0.00 C ATOM 1436 C GLU B 13 6.387 0.849 12.653 1.00 0.00 C ATOM 1437 O GLU B 13 5.767 -0.136 12.262 1.00 0.00 O ATOM 1438 CB GLU B 13 8.880 0.670 12.379 1.00 0.00 C ATOM 1439 CG GLU B 13 8.822 -0.848 12.305 1.00 0.00 C ATOM 1440 CD GLU B 13 10.149 -1.509 12.605 1.00 0.00 C ATOM 1441 OE1 GLU B 13 10.564 -1.519 13.783 1.00 0.00 O ATOM 1442 OE2 GLU B 13 10.777 -2.034 11.663 1.00 0.00 O ATOM 0 H GLU B 13 8.477 3.126 12.570 1.00 0.00 H new ATOM 0 HA GLU B 13 7.472 1.096 10.827 1.00 0.00 H new ATOM 0 HB2 GLU B 13 9.727 1.023 11.790 1.00 0.00 H new ATOM 0 HB3 GLU B 13 9.062 0.970 13.411 1.00 0.00 H new ATOM 0 HG2 GLU B 13 8.074 -1.212 13.010 1.00 0.00 H new ATOM 0 HG3 GLU B 13 8.492 -1.145 11.309 1.00 0.00 H new ATOM 1449 N LYS B 14 6.048 1.528 13.751 1.00 0.00 N ATOM 1450 CA LYS B 14 4.838 1.209 14.512 1.00 0.00 C ATOM 1451 C LYS B 14 3.631 1.267 13.588 1.00 0.00 C ATOM 1452 O LYS B 14 2.790 0.374 13.600 1.00 0.00 O ATOM 1453 CB LYS B 14 4.662 2.181 15.695 1.00 0.00 C ATOM 1454 CG LYS B 14 3.512 1.843 16.651 1.00 0.00 C ATOM 1455 CD LYS B 14 2.155 2.312 16.133 1.00 0.00 C ATOM 1456 CE LYS B 14 1.050 2.038 17.146 1.00 0.00 C ATOM 1457 NZ LYS B 14 -0.283 2.500 16.672 1.00 0.00 N ATOM 0 H LYS B 14 6.593 2.301 14.133 1.00 0.00 H new ATOM 0 HA LYS B 14 4.931 0.202 14.920 1.00 0.00 H new ATOM 0 HB2 LYS B 14 5.591 2.207 16.264 1.00 0.00 H new ATOM 0 HB3 LYS B 14 4.502 3.184 15.300 1.00 0.00 H new ATOM 0 HG2 LYS B 14 3.482 0.765 16.810 1.00 0.00 H new ATOM 0 HG3 LYS B 14 3.704 2.303 17.620 1.00 0.00 H new ATOM 0 HD2 LYS B 14 2.196 3.379 15.916 1.00 0.00 H new ATOM 0 HD3 LYS B 14 1.926 1.805 15.196 1.00 0.00 H new ATOM 0 HE2 LYS B 14 1.008 0.969 17.353 1.00 0.00 H new ATOM 0 HE3 LYS B 14 1.291 2.536 18.085 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 -0.878 2.740 17.490 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 -0.166 3.341 16.071 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 -0.738 1.743 16.123 1.00 0.00 H new ATOM 1471 N ILE B 15 3.569 2.317 12.778 1.00 0.00 N ATOM 1472 CA ILE B 15 2.494 2.483 11.809 1.00 0.00 C ATOM 1473 C ILE B 15 2.482 1.318 10.826 1.00 0.00 C ATOM 1474 O ILE B 15 1.439 0.723 10.565 1.00 0.00 O ATOM 1475 CB ILE B 15 2.646 3.804 11.030 1.00 0.00 C ATOM 1476 CG1 ILE B 15 2.749 4.981 12.003 1.00 0.00 C ATOM 1477 CG2 ILE B 15 1.472 3.997 10.078 1.00 0.00 C ATOM 1478 CD1 ILE B 15 3.080 6.298 11.337 1.00 0.00 C ATOM 0 H ILE B 15 4.256 3.071 12.774 1.00 0.00 H new ATOM 0 HA ILE B 15 1.554 2.507 12.360 1.00 0.00 H new ATOM 0 HB ILE B 15 3.562 3.760 10.440 1.00 0.00 H new ATOM 0 HG12 ILE B 15 1.804 5.082 12.537 1.00 0.00 H new ATOM 0 HG13 ILE B 15 3.514 4.759 12.747 1.00 0.00 H new ATOM 0 HG21 ILE B 15 1.594 4.934 9.535 1.00 0.00 H new ATOM 0 HG22 ILE B 15 1.438 3.169 9.370 1.00 0.00 H new ATOM 0 HG23 ILE B 15 0.543 4.026 10.647 1.00 0.00 H new ATOM 0 HD11 ILE B 15 3.136 7.083 12.091 1.00 0.00 H new ATOM 0 HD12 ILE B 15 4.040 6.216 10.826 1.00 0.00 H new ATOM 0 HD13 ILE B 15 2.304 6.545 10.613 1.00 0.00 H new ATOM 1490 N ILE B 16 3.659 0.988 10.302 1.00 0.00 N ATOM 1491 CA ILE B 16 3.806 -0.133 9.379 1.00 0.00 C ATOM 1492 C ILE B 16 3.325 -1.428 10.027 1.00 0.00 C ATOM 1493 O ILE B 16 2.533 -2.172 9.449 1.00 0.00 O ATOM 1494 CB ILE B 16 5.277 -0.310 8.942 1.00 0.00 C ATOM 1495 CG1 ILE B 16 5.816 0.994 8.353 1.00 0.00 C ATOM 1496 CG2 ILE B 16 5.402 -1.445 7.934 1.00 0.00 C ATOM 1497 CD1 ILE B 16 7.299 0.961 8.046 1.00 0.00 C ATOM 0 H ILE B 16 4.528 1.483 10.502 1.00 0.00 H new ATOM 0 HA ILE B 16 3.198 0.088 8.502 1.00 0.00 H new ATOM 0 HB ILE B 16 5.871 -0.565 9.819 1.00 0.00 H new ATOM 0 HG12 ILE B 16 5.270 1.221 7.437 1.00 0.00 H new ATOM 0 HG13 ILE B 16 5.617 1.807 9.052 1.00 0.00 H new ATOM 0 HG21 ILE B 16 6.445 -1.555 7.637 1.00 0.00 H new ATOM 0 HG22 ILE B 16 5.053 -2.373 8.386 1.00 0.00 H new ATOM 0 HG23 ILE B 16 4.797 -1.220 7.056 1.00 0.00 H new ATOM 0 HD11 ILE B 16 7.606 1.921 7.632 1.00 0.00 H new ATOM 0 HD12 ILE B 16 7.856 0.766 8.962 1.00 0.00 H new ATOM 0 HD13 ILE B 16 7.503 0.172 7.323 1.00 0.00 H new ATOM 1509 N GLN B 17 3.802 -1.677 11.239 1.00 0.00 N ATOM 1510 CA GLN B 17 3.457 -2.881 11.974 1.00 0.00 C ATOM 1511 C GLN B 17 1.972 -2.904 12.317 1.00 0.00 C ATOM 1512 O GLN B 17 1.349 -3.961 12.310 1.00 0.00 O ATOM 1513 CB GLN B 17 4.294 -2.977 13.254 1.00 0.00 C ATOM 1514 CG GLN B 17 4.069 -4.258 14.044 1.00 0.00 C ATOM 1515 CD GLN B 17 4.436 -5.500 13.259 1.00 0.00 C ATOM 1516 OE1 GLN B 17 5.580 -5.954 13.292 1.00 0.00 O ATOM 1517 NE2 GLN B 17 3.468 -6.058 12.552 1.00 0.00 N ATOM 0 H GLN B 17 4.436 -1.052 11.737 1.00 0.00 H new ATOM 0 HA GLN B 17 3.675 -3.740 11.340 1.00 0.00 H new ATOM 0 HB2 GLN B 17 5.350 -2.904 12.992 1.00 0.00 H new ATOM 0 HB3 GLN B 17 4.064 -2.123 13.892 1.00 0.00 H new ATOM 0 HG2 GLN B 17 4.660 -4.224 14.960 1.00 0.00 H new ATOM 0 HG3 GLN B 17 3.022 -4.317 14.342 1.00 0.00 H new ATOM 0 HE21 GLN B 17 2.534 -5.648 12.553 1.00 0.00 H new ATOM 0 HE22 GLN B 17 3.655 -6.898 12.005 1.00 0.00 H new ATOM 1526 N ASP B 18 1.416 -1.734 12.611 1.00 0.00 N ATOM 1527 CA ASP B 18 0.001 -1.614 12.950 1.00 0.00 C ATOM 1528 C ASP B 18 -0.853 -1.937 11.728 1.00 0.00 C ATOM 1529 O ASP B 18 -1.846 -2.656 11.820 1.00 0.00 O ATOM 1530 CB ASP B 18 -0.302 -0.197 13.448 1.00 0.00 C ATOM 1531 CG ASP B 18 -1.535 -0.123 14.329 1.00 0.00 C ATOM 1532 OD1 ASP B 18 -2.347 -1.065 14.319 1.00 0.00 O ATOM 1533 OD2 ASP B 18 -1.682 0.882 15.060 1.00 0.00 O ATOM 0 H ASP B 18 1.926 -0.851 12.622 1.00 0.00 H new ATOM 0 HA ASP B 18 -0.236 -2.322 13.744 1.00 0.00 H new ATOM 0 HB2 ASP B 18 0.557 0.177 14.005 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -0.437 0.462 12.590 1.00 0.00 H new ATOM 1538 N LEU B 19 -0.439 -1.423 10.576 1.00 0.00 N ATOM 1539 CA LEU B 19 -1.121 -1.710 9.319 1.00 0.00 C ATOM 1540 C LEU B 19 -1.048 -3.199 8.997 1.00 0.00 C ATOM 1541 O LEU B 19 -2.039 -3.811 8.599 1.00 0.00 O ATOM 1542 CB LEU B 19 -0.507 -0.896 8.178 1.00 0.00 C ATOM 1543 CG LEU B 19 -0.645 0.621 8.313 1.00 0.00 C ATOM 1544 CD1 LEU B 19 0.108 1.323 7.196 1.00 0.00 C ATOM 1545 CD2 LEU B 19 -2.113 1.025 8.306 1.00 0.00 C ATOM 0 H LEU B 19 0.367 -0.804 10.486 1.00 0.00 H new ATOM 0 HA LEU B 19 -2.168 -1.427 9.428 1.00 0.00 H new ATOM 0 HB2 LEU B 19 0.552 -1.143 8.105 1.00 0.00 H new ATOM 0 HB3 LEU B 19 -0.971 -1.205 7.242 1.00 0.00 H new ATOM 0 HG LEU B 19 -0.210 0.925 9.265 1.00 0.00 H new ATOM 0 HD11 LEU B 19 -0.000 2.402 7.306 1.00 0.00 H new ATOM 0 HD12 LEU B 19 1.164 1.057 7.246 1.00 0.00 H new ATOM 0 HD13 LEU B 19 -0.299 1.014 6.233 1.00 0.00 H new ATOM 0 HD21 LEU B 19 -2.193 2.108 8.403 1.00 0.00 H new ATOM 0 HD22 LEU B 19 -2.573 0.710 7.369 1.00 0.00 H new ATOM 0 HD23 LEU B 19 -2.626 0.547 9.141 1.00 0.00 H new ATOM 1557 N LEU B 20 0.131 -3.784 9.188 1.00 0.00 N ATOM 1558 CA LEU B 20 0.317 -5.218 8.992 1.00 0.00 C ATOM 1559 C LEU B 20 -0.508 -6.002 10.010 1.00 0.00 C ATOM 1560 O LEU B 20 -0.982 -7.103 9.735 1.00 0.00 O ATOM 1561 CB LEU B 20 1.795 -5.591 9.122 1.00 0.00 C ATOM 1562 CG LEU B 20 2.714 -4.998 8.052 1.00 0.00 C ATOM 1563 CD1 LEU B 20 4.164 -5.339 8.347 1.00 0.00 C ATOM 1564 CD2 LEU B 20 2.323 -5.501 6.670 1.00 0.00 C ATOM 0 H LEU B 20 0.973 -3.286 9.479 1.00 0.00 H new ATOM 0 HA LEU B 20 -0.021 -5.474 7.988 1.00 0.00 H new ATOM 0 HB2 LEU B 20 2.149 -5.269 10.101 1.00 0.00 H new ATOM 0 HB3 LEU B 20 1.883 -6.677 9.092 1.00 0.00 H new ATOM 0 HG LEU B 20 2.602 -3.914 8.069 1.00 0.00 H new ATOM 0 HD11 LEU B 20 4.803 -4.909 7.576 1.00 0.00 H new ATOM 0 HD12 LEU B 20 4.443 -4.931 9.318 1.00 0.00 H new ATOM 0 HD13 LEU B 20 4.288 -6.422 8.359 1.00 0.00 H new ATOM 0 HD21 LEU B 20 2.988 -5.068 5.923 1.00 0.00 H new ATOM 0 HD22 LEU B 20 2.404 -6.588 6.642 1.00 0.00 H new ATOM 0 HD23 LEU B 20 1.296 -5.208 6.454 1.00 0.00 H new ATOM 1576 N ASP B 21 -0.686 -5.409 11.183 1.00 0.00 N ATOM 1577 CA ASP B 21 -1.459 -6.027 12.250 1.00 0.00 C ATOM 1578 C ASP B 21 -2.930 -6.063 11.867 1.00 0.00 C ATOM 1579 O ASP B 21 -3.638 -7.020 12.166 1.00 0.00 O ATOM 1580 CB ASP B 21 -1.278 -5.254 13.553 1.00 0.00 C ATOM 1581 CG ASP B 21 -1.532 -6.102 14.780 1.00 0.00 C ATOM 1582 OD1 ASP B 21 -0.605 -6.824 15.209 1.00 0.00 O ATOM 1583 OD2 ASP B 21 -2.654 -6.046 15.328 1.00 0.00 O ATOM 0 H ASP B 21 -0.302 -4.494 11.420 1.00 0.00 H new ATOM 0 HA ASP B 21 -1.102 -7.046 12.397 1.00 0.00 H new ATOM 0 HB2 ASP B 21 -0.264 -4.856 13.596 1.00 0.00 H new ATOM 0 HB3 ASP B 21 -1.956 -4.400 13.561 1.00 0.00 H new ATOM 1588 N VAL B 22 -3.382 -5.014 11.191 1.00 0.00 N ATOM 1589 CA VAL B 22 -4.733 -4.974 10.649 1.00 0.00 C ATOM 1590 C VAL B 22 -4.885 -6.002 9.535 1.00 0.00 C ATOM 1591 O VAL B 22 -5.916 -6.666 9.417 1.00 0.00 O ATOM 1592 CB VAL B 22 -5.088 -3.574 10.105 1.00 0.00 C ATOM 1593 CG1 VAL B 22 -6.471 -3.570 9.464 1.00 0.00 C ATOM 1594 CG2 VAL B 22 -5.014 -2.540 11.218 1.00 0.00 C ATOM 0 H VAL B 22 -2.830 -4.177 11.005 1.00 0.00 H new ATOM 0 HA VAL B 22 -5.418 -5.209 11.464 1.00 0.00 H new ATOM 0 HB VAL B 22 -4.360 -3.314 9.336 1.00 0.00 H new ATOM 0 HG11 VAL B 22 -6.695 -2.571 9.089 1.00 0.00 H new ATOM 0 HG12 VAL B 22 -6.491 -4.281 8.638 1.00 0.00 H new ATOM 0 HG13 VAL B 22 -7.217 -3.855 10.206 1.00 0.00 H new ATOM 0 HG21 VAL B 22 -5.267 -1.558 10.819 1.00 0.00 H new ATOM 0 HG22 VAL B 22 -5.718 -2.804 12.007 1.00 0.00 H new ATOM 0 HG23 VAL B 22 -4.004 -2.517 11.626 1.00 0.00 H new ATOM 1604 N LEU B 23 -3.843 -6.144 8.732 1.00 0.00 N ATOM 1605 CA LEU B 23 -3.845 -7.106 7.644 1.00 0.00 C ATOM 1606 C LEU B 23 -3.969 -8.533 8.175 1.00 0.00 C ATOM 1607 O LEU B 23 -4.619 -9.377 7.558 1.00 0.00 O ATOM 1608 CB LEU B 23 -2.580 -6.957 6.793 1.00 0.00 C ATOM 1609 CG LEU B 23 -2.431 -5.606 6.087 1.00 0.00 C ATOM 1610 CD1 LEU B 23 -1.161 -5.575 5.251 1.00 0.00 C ATOM 1611 CD2 LEU B 23 -3.648 -5.316 5.219 1.00 0.00 C ATOM 0 H LEU B 23 -2.982 -5.603 8.814 1.00 0.00 H new ATOM 0 HA LEU B 23 -4.712 -6.903 7.015 1.00 0.00 H new ATOM 0 HB2 LEU B 23 -1.710 -7.115 7.431 1.00 0.00 H new ATOM 0 HB3 LEU B 23 -2.571 -7.746 6.041 1.00 0.00 H new ATOM 0 HG LEU B 23 -2.360 -4.830 6.849 1.00 0.00 H new ATOM 0 HD11 LEU B 23 -1.074 -4.607 4.758 1.00 0.00 H new ATOM 0 HD12 LEU B 23 -0.297 -5.733 5.896 1.00 0.00 H new ATOM 0 HD13 LEU B 23 -1.201 -6.363 4.499 1.00 0.00 H new ATOM 0 HD21 LEU B 23 -3.522 -4.352 4.726 1.00 0.00 H new ATOM 0 HD22 LEU B 23 -3.752 -6.097 4.466 1.00 0.00 H new ATOM 0 HD23 LEU B 23 -4.542 -5.291 5.842 1.00 0.00 H new ATOM 1623 N VAL B 24 -3.355 -8.802 9.325 1.00 0.00 N ATOM 1624 CA VAL B 24 -3.470 -10.117 9.941 1.00 0.00 C ATOM 1625 C VAL B 24 -4.746 -10.203 10.789 1.00 0.00 C ATOM 1626 O VAL B 24 -5.253 -11.293 11.046 1.00 0.00 O ATOM 1627 CB VAL B 24 -2.222 -10.482 10.787 1.00 0.00 C ATOM 1628 CG1 VAL B 24 -2.130 -9.642 12.047 1.00 0.00 C ATOM 1629 CG2 VAL B 24 -2.216 -11.966 11.129 1.00 0.00 C ATOM 0 H VAL B 24 -2.781 -8.136 9.841 1.00 0.00 H new ATOM 0 HA VAL B 24 -3.532 -10.848 9.134 1.00 0.00 H new ATOM 0 HB VAL B 24 -1.343 -10.262 10.181 1.00 0.00 H new ATOM 0 HG11 VAL B 24 -1.243 -9.929 12.611 1.00 0.00 H new ATOM 0 HG12 VAL B 24 -2.064 -8.588 11.778 1.00 0.00 H new ATOM 0 HG13 VAL B 24 -3.017 -9.805 12.659 1.00 0.00 H new ATOM 0 HG21 VAL B 24 -1.332 -12.199 11.722 1.00 0.00 H new ATOM 0 HG22 VAL B 24 -3.111 -12.211 11.700 1.00 0.00 H new ATOM 0 HG23 VAL B 24 -2.200 -12.551 10.210 1.00 0.00 H new ATOM 1639 N LYS B 25 -5.266 -9.048 11.215 1.00 0.00 N ATOM 1640 CA LYS B 25 -6.570 -8.995 11.885 1.00 0.00 C ATOM 1641 C LYS B 25 -7.643 -9.627 11.011 1.00 0.00 C ATOM 1642 O LYS B 25 -8.374 -10.513 11.448 1.00 0.00 O ATOM 1643 CB LYS B 25 -6.979 -7.551 12.203 1.00 0.00 C ATOM 1644 CG LYS B 25 -6.395 -7.000 13.489 1.00 0.00 C ATOM 1645 CD LYS B 25 -6.792 -5.543 13.731 1.00 0.00 C ATOM 1646 CE LYS B 25 -8.298 -5.358 13.890 1.00 0.00 C ATOM 1647 NZ LYS B 25 -8.985 -5.058 12.604 1.00 0.00 N ATOM 0 H LYS B 25 -4.808 -8.143 11.109 1.00 0.00 H new ATOM 0 HA LYS B 25 -6.476 -9.550 12.818 1.00 0.00 H new ATOM 0 HB2 LYS B 25 -6.673 -6.910 11.376 1.00 0.00 H new ATOM 0 HB3 LYS B 25 -8.066 -7.499 12.261 1.00 0.00 H new ATOM 0 HG2 LYS B 25 -6.731 -7.610 14.328 1.00 0.00 H new ATOM 0 HG3 LYS B 25 -5.308 -7.077 13.454 1.00 0.00 H new ATOM 0 HD2 LYS B 25 -6.289 -5.179 14.627 1.00 0.00 H new ATOM 0 HD3 LYS B 25 -6.442 -4.933 12.898 1.00 0.00 H new ATOM 0 HE2 LYS B 25 -8.726 -6.262 14.322 1.00 0.00 H new ATOM 0 HE3 LYS B 25 -8.487 -4.548 14.594 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 -9.963 -4.760 12.794 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 -8.480 -4.294 12.111 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 -8.992 -5.910 12.007 1.00 0.00 H new ATOM 1661 N GLU B 26 -7.713 -9.177 9.769 1.00 0.00 N ATOM 1662 CA GLU B 26 -8.753 -9.628 8.856 1.00 0.00 C ATOM 1663 C GLU B 26 -8.311 -10.872 8.094 1.00 0.00 C ATOM 1664 O GLU B 26 -9.116 -11.496 7.399 1.00 0.00 O ATOM 1665 CB GLU B 26 -9.094 -8.518 7.861 1.00 0.00 C ATOM 1666 CG GLU B 26 -9.186 -7.135 8.487 1.00 0.00 C ATOM 1667 CD GLU B 26 -10.115 -7.086 9.684 1.00 0.00 C ATOM 1668 OE1 GLU B 26 -11.332 -7.307 9.511 1.00 0.00 O ATOM 1669 OE2 GLU B 26 -9.629 -6.834 10.805 1.00 0.00 O ATOM 0 H GLU B 26 -7.063 -8.500 9.369 1.00 0.00 H new ATOM 0 HA GLU B 26 -9.635 -9.876 9.447 1.00 0.00 H new ATOM 0 HB2 GLU B 26 -8.337 -8.501 7.077 1.00 0.00 H new ATOM 0 HB3 GLU B 26 -10.044 -8.753 7.382 1.00 0.00 H new ATOM 0 HG2 GLU B 26 -8.190 -6.814 8.794 1.00 0.00 H new ATOM 0 HG3 GLU B 26 -9.532 -6.425 7.736 1.00 0.00 H new ATOM 1676 N GLU B 27 -7.035 -11.221 8.252 1.00 0.00 N ATOM 1677 CA GLU B 27 -6.398 -12.290 7.483 1.00 0.00 C ATOM 1678 C GLU B 27 -6.584 -12.069 5.986 1.00 0.00 C ATOM 1679 O GLU B 27 -7.314 -12.800 5.315 1.00 0.00 O ATOM 1680 CB GLU B 27 -6.902 -13.680 7.888 1.00 0.00 C ATOM 1681 CG GLU B 27 -6.533 -14.068 9.309 1.00 0.00 C ATOM 1682 CD GLU B 27 -6.524 -15.567 9.516 1.00 0.00 C ATOM 1683 OE1 GLU B 27 -7.611 -16.165 9.678 1.00 0.00 O ATOM 1684 OE2 GLU B 27 -5.423 -16.161 9.512 1.00 0.00 O ATOM 0 H GLU B 27 -6.411 -10.768 8.920 1.00 0.00 H new ATOM 0 HA GLU B 27 -5.333 -12.253 7.714 1.00 0.00 H new ATOM 0 HB2 GLU B 27 -7.986 -13.710 7.782 1.00 0.00 H new ATOM 0 HB3 GLU B 27 -6.494 -14.420 7.200 1.00 0.00 H new ATOM 0 HG2 GLU B 27 -5.549 -13.665 9.548 1.00 0.00 H new ATOM 0 HG3 GLU B 27 -7.241 -13.613 10.002 1.00 0.00 H new ATOM 1691 N VAL B 28 -5.933 -11.036 5.477 1.00 0.00 N ATOM 1692 CA VAL B 28 -6.017 -10.710 4.064 1.00 0.00 C ATOM 1693 C VAL B 28 -5.060 -11.573 3.243 1.00 0.00 C ATOM 1694 O VAL B 28 -3.924 -11.828 3.651 1.00 0.00 O ATOM 1695 CB VAL B 28 -5.719 -9.212 3.808 1.00 0.00 C ATOM 1696 CG1 VAL B 28 -6.706 -8.330 4.558 1.00 0.00 C ATOM 1697 CG2 VAL B 28 -4.291 -8.861 4.199 1.00 0.00 C ATOM 0 H VAL B 28 -5.341 -10.409 6.022 1.00 0.00 H new ATOM 0 HA VAL B 28 -7.040 -10.918 3.749 1.00 0.00 H new ATOM 0 HB VAL B 28 -5.833 -9.029 2.740 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -6.478 -7.282 4.364 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -7.719 -8.549 4.221 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -6.629 -8.526 5.628 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -4.111 -7.803 4.008 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -4.142 -9.069 5.259 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -3.595 -9.459 3.611 1.00 0.00 H new ATOM 1707 N THR B 29 -5.536 -12.043 2.101 1.00 0.00 N ATOM 1708 CA THR B 29 -4.704 -12.780 1.169 1.00 0.00 C ATOM 1709 C THR B 29 -3.935 -11.795 0.294 1.00 0.00 C ATOM 1710 O THR B 29 -4.238 -10.607 0.314 1.00 0.00 O ATOM 1711 CB THR B 29 -5.566 -13.701 0.283 1.00 0.00 C ATOM 1712 OG1 THR B 29 -6.600 -12.934 -0.350 1.00 0.00 O ATOM 1713 CG2 THR B 29 -6.189 -14.819 1.106 1.00 0.00 C ATOM 0 H THR B 29 -6.503 -11.925 1.797 1.00 0.00 H new ATOM 0 HA THR B 29 -4.005 -13.399 1.732 1.00 0.00 H new ATOM 0 HB THR B 29 -4.924 -14.148 -0.476 1.00 0.00 H new ATOM 0 HG1 THR B 29 -7.145 -13.522 -0.914 1.00 0.00 H new ATOM 0 HG21 THR B 29 -6.792 -15.455 0.458 1.00 0.00 H new ATOM 0 HG22 THR B 29 -5.401 -15.414 1.567 1.00 0.00 H new ATOM 0 HG23 THR B 29 -6.821 -14.390 1.883 1.00 0.00 H new ATOM 1721 N PRO B 30 -2.925 -12.253 -0.473 1.00 0.00 N ATOM 1722 CA PRO B 30 -2.169 -11.377 -1.380 1.00 0.00 C ATOM 1723 C PRO B 30 -3.084 -10.522 -2.261 1.00 0.00 C ATOM 1724 O PRO B 30 -2.898 -9.310 -2.374 1.00 0.00 O ATOM 1725 CB PRO B 30 -1.363 -12.362 -2.229 1.00 0.00 C ATOM 1726 CG PRO B 30 -1.180 -13.552 -1.352 1.00 0.00 C ATOM 1727 CD PRO B 30 -2.423 -13.642 -0.504 1.00 0.00 C ATOM 0 HA PRO B 30 -1.553 -10.659 -0.839 1.00 0.00 H new ATOM 0 HB2 PRO B 30 -1.894 -12.622 -3.145 1.00 0.00 H new ATOM 0 HB3 PRO B 30 -0.404 -11.937 -2.526 1.00 0.00 H new ATOM 0 HG2 PRO B 30 -1.047 -14.457 -1.945 1.00 0.00 H new ATOM 0 HG3 PRO B 30 -0.291 -13.445 -0.730 1.00 0.00 H new ATOM 0 HD2 PRO B 30 -3.155 -14.323 -0.937 1.00 0.00 H new ATOM 0 HD3 PRO B 30 -2.199 -14.010 0.497 1.00 0.00 H new ATOM 1735 N ASP B 31 -4.081 -11.165 -2.862 1.00 0.00 N ATOM 1736 CA ASP B 31 -5.062 -10.473 -3.700 1.00 0.00 C ATOM 1737 C ASP B 31 -5.821 -9.414 -2.903 1.00 0.00 C ATOM 1738 O ASP B 31 -5.875 -8.246 -3.296 1.00 0.00 O ATOM 1739 CB ASP B 31 -6.050 -11.485 -4.292 1.00 0.00 C ATOM 1740 CG ASP B 31 -7.239 -10.821 -4.965 1.00 0.00 C ATOM 1741 OD1 ASP B 31 -7.082 -10.300 -6.091 1.00 0.00 O ATOM 1742 OD2 ASP B 31 -8.342 -10.838 -4.377 1.00 0.00 O ATOM 0 H ASP B 31 -4.233 -12.171 -2.785 1.00 0.00 H new ATOM 0 HA ASP B 31 -4.525 -9.973 -4.506 1.00 0.00 H new ATOM 0 HB2 ASP B 31 -5.531 -12.111 -5.017 1.00 0.00 H new ATOM 0 HB3 ASP B 31 -6.407 -12.143 -3.500 1.00 0.00 H new ATOM 1747 N LEU B 32 -6.390 -9.831 -1.776 1.00 0.00 N ATOM 1748 CA LEU B 32 -7.174 -8.942 -0.927 1.00 0.00 C ATOM 1749 C LEU B 32 -6.318 -7.795 -0.393 1.00 0.00 C ATOM 1750 O LEU B 32 -6.759 -6.647 -0.349 1.00 0.00 O ATOM 1751 CB LEU B 32 -7.778 -9.733 0.239 1.00 0.00 C ATOM 1752 CG LEU B 32 -8.619 -8.917 1.222 1.00 0.00 C ATOM 1753 CD1 LEU B 32 -9.795 -8.264 0.516 1.00 0.00 C ATOM 1754 CD2 LEU B 32 -9.106 -9.799 2.358 1.00 0.00 C ATOM 0 H LEU B 32 -6.321 -10.787 -1.428 1.00 0.00 H new ATOM 0 HA LEU B 32 -7.976 -8.515 -1.529 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -8.399 -10.531 -0.169 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -6.968 -10.210 0.790 1.00 0.00 H new ATOM 0 HG LEU B 32 -7.991 -8.128 1.636 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -10.378 -7.689 1.236 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -9.427 -7.600 -0.266 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -10.425 -9.034 0.071 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -9.703 -9.205 3.050 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -9.715 -10.608 1.955 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -8.250 -10.218 2.886 1.00 0.00 H new ATOM 1766 N ALA B 33 -5.094 -8.119 0.000 1.00 0.00 N ATOM 1767 CA ALA B 33 -4.178 -7.138 0.561 1.00 0.00 C ATOM 1768 C ALA B 33 -3.882 -6.024 -0.433 1.00 0.00 C ATOM 1769 O ALA B 33 -4.031 -4.849 -0.111 1.00 0.00 O ATOM 1770 CB ALA B 33 -2.886 -7.808 1.001 1.00 0.00 C ATOM 0 H ALA B 33 -4.711 -9.062 -0.061 1.00 0.00 H new ATOM 0 HA ALA B 33 -4.660 -6.693 1.432 1.00 0.00 H new ATOM 0 HB1 ALA B 33 -2.212 -7.060 1.418 1.00 0.00 H new ATOM 0 HB2 ALA B 33 -3.106 -8.561 1.758 1.00 0.00 H new ATOM 0 HB3 ALA B 33 -2.413 -8.284 0.143 1.00 0.00 H new ATOM 1776 N LEU B 34 -3.484 -6.398 -1.643 1.00 0.00 N ATOM 1777 CA LEU B 34 -3.130 -5.420 -2.665 1.00 0.00 C ATOM 1778 C LEU B 34 -4.323 -4.535 -3.015 1.00 0.00 C ATOM 1779 O LEU B 34 -4.176 -3.326 -3.204 1.00 0.00 O ATOM 1780 CB LEU B 34 -2.611 -6.123 -3.923 1.00 0.00 C ATOM 1781 CG LEU B 34 -1.341 -6.954 -3.730 1.00 0.00 C ATOM 1782 CD1 LEU B 34 -0.945 -7.626 -5.037 1.00 0.00 C ATOM 1783 CD2 LEU B 34 -0.204 -6.089 -3.206 1.00 0.00 C ATOM 0 H LEU B 34 -3.398 -7.370 -1.940 1.00 0.00 H new ATOM 0 HA LEU B 34 -2.340 -4.786 -2.262 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -3.397 -6.774 -4.306 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -2.420 -5.370 -4.688 1.00 0.00 H new ATOM 0 HG LEU B 34 -1.546 -7.728 -2.990 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -0.040 -8.214 -4.884 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -1.751 -8.281 -5.368 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -0.760 -6.866 -5.796 1.00 0.00 H new ATOM 0 HD21 LEU B 34 0.689 -6.701 -3.076 1.00 0.00 H new ATOM 0 HD22 LEU B 34 0.004 -5.290 -3.918 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -0.489 -5.655 -2.247 1.00 0.00 H new ATOM 1795 N MET B 35 -5.507 -5.138 -3.073 1.00 0.00 N ATOM 1796 CA MET B 35 -6.729 -4.408 -3.403 1.00 0.00 C ATOM 1797 C MET B 35 -7.076 -3.393 -2.315 1.00 0.00 C ATOM 1798 O MET B 35 -7.613 -2.326 -2.602 1.00 0.00 O ATOM 1799 CB MET B 35 -7.892 -5.387 -3.615 1.00 0.00 C ATOM 1800 CG MET B 35 -9.208 -4.716 -3.988 1.00 0.00 C ATOM 1801 SD MET B 35 -10.477 -5.903 -4.479 1.00 0.00 S ATOM 1802 CE MET B 35 -10.564 -6.937 -3.020 1.00 0.00 C ATOM 0 H MET B 35 -5.647 -6.133 -2.895 1.00 0.00 H new ATOM 0 HA MET B 35 -6.557 -3.860 -4.329 1.00 0.00 H new ATOM 0 HB2 MET B 35 -7.621 -6.093 -4.400 1.00 0.00 H new ATOM 0 HB3 MET B 35 -8.037 -5.966 -2.703 1.00 0.00 H new ATOM 0 HG2 MET B 35 -9.568 -4.134 -3.140 1.00 0.00 H new ATOM 0 HG3 MET B 35 -9.036 -4.015 -4.805 1.00 0.00 H new ATOM 0 HE1 MET B 35 -11.573 -7.336 -2.916 1.00 0.00 H new ATOM 0 HE2 MET B 35 -9.856 -7.761 -3.115 1.00 0.00 H new ATOM 0 HE3 MET B 35 -10.316 -6.345 -2.139 1.00 0.00 H new ATOM 1812 N CYS B 36 -6.754 -3.719 -1.071 1.00 0.00 N ATOM 1813 CA CYS B 36 -7.019 -2.817 0.042 1.00 0.00 C ATOM 1814 C CYS B 36 -5.910 -1.774 0.170 1.00 0.00 C ATOM 1815 O CYS B 36 -6.178 -0.580 0.306 1.00 0.00 O ATOM 1816 CB CYS B 36 -7.155 -3.605 1.347 1.00 0.00 C ATOM 1817 SG CYS B 36 -8.463 -4.853 1.317 1.00 0.00 S ATOM 0 H CYS B 36 -6.310 -4.599 -0.807 1.00 0.00 H new ATOM 0 HA CYS B 36 -7.958 -2.300 -0.156 1.00 0.00 H new ATOM 0 HB2 CYS B 36 -6.205 -4.093 1.566 1.00 0.00 H new ATOM 0 HB3 CYS B 36 -7.350 -2.908 2.162 1.00 0.00 H new ATOM 0 HG CYS B 36 -8.068 -5.879 0.624 1.00 0.00 H new ATOM 1823 N LEU B 37 -4.665 -2.235 0.106 1.00 0.00 N ATOM 1824 CA LEU B 37 -3.509 -1.360 0.265 1.00 0.00 C ATOM 1825 C LEU B 37 -3.437 -0.324 -0.850 1.00 0.00 C ATOM 1826 O LEU B 37 -3.365 0.871 -0.577 1.00 0.00 O ATOM 1827 CB LEU B 37 -2.213 -2.177 0.308 1.00 0.00 C ATOM 1828 CG LEU B 37 -2.065 -3.100 1.524 1.00 0.00 C ATOM 1829 CD1 LEU B 37 -0.781 -3.909 1.426 1.00 0.00 C ATOM 1830 CD2 LEU B 37 -2.086 -2.293 2.816 1.00 0.00 C ATOM 0 H LEU B 37 -4.430 -3.214 -0.056 1.00 0.00 H new ATOM 0 HA LEU B 37 -3.626 -0.832 1.212 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -2.153 -2.782 -0.597 1.00 0.00 H new ATOM 0 HB3 LEU B 37 -1.368 -1.489 0.288 1.00 0.00 H new ATOM 0 HG LEU B 37 -2.909 -3.789 1.535 1.00 0.00 H new ATOM 0 HD11 LEU B 37 -0.693 -4.558 2.297 1.00 0.00 H new ATOM 0 HD12 LEU B 37 -0.802 -4.517 0.521 1.00 0.00 H new ATOM 0 HD13 LEU B 37 0.073 -3.233 1.389 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -1.980 -2.966 3.667 1.00 0.00 H new ATOM 0 HD22 LEU B 37 -1.262 -1.579 2.813 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -3.031 -1.756 2.894 1.00 0.00 H new ATOM 1842 N GLY B 38 -3.485 -0.781 -2.099 1.00 0.00 N ATOM 1843 CA GLY B 38 -3.387 0.127 -3.231 1.00 0.00 C ATOM 1844 C GLY B 38 -4.517 1.134 -3.252 1.00 0.00 C ATOM 1845 O GLY B 38 -4.357 2.265 -3.715 1.00 0.00 O ATOM 0 H GLY B 38 -3.590 -1.765 -2.348 1.00 0.00 H new ATOM 0 HA2 GLY B 38 -2.433 0.653 -3.192 1.00 0.00 H new ATOM 0 HA3 GLY B 38 -3.396 -0.447 -4.158 1.00 0.00 H new ATOM 1849 N ASN B 39 -5.660 0.717 -2.732 1.00 0.00 N ATOM 1850 CA ASN B 39 -6.827 1.578 -2.648 1.00 0.00 C ATOM 1851 C ASN B 39 -6.580 2.680 -1.623 1.00 0.00 C ATOM 1852 O ASN B 39 -6.819 3.859 -1.887 1.00 0.00 O ATOM 1853 CB ASN B 39 -8.042 0.740 -2.256 1.00 0.00 C ATOM 1854 CG ASN B 39 -9.365 1.391 -2.599 1.00 0.00 C ATOM 1855 OD1 ASN B 39 -9.516 2.610 -2.554 1.00 0.00 O ATOM 1856 ND2 ASN B 39 -10.334 0.566 -2.961 1.00 0.00 N ATOM 0 H ASN B 39 -5.804 -0.221 -2.359 1.00 0.00 H new ATOM 0 HA ASN B 39 -7.016 2.043 -3.615 1.00 0.00 H new ATOM 0 HB2 ASN B 39 -7.982 -0.227 -2.756 1.00 0.00 H new ATOM 0 HB3 ASN B 39 -8.009 0.547 -1.184 1.00 0.00 H new ATOM 0 HD21 ASN B 39 -11.250 0.936 -3.217 1.00 0.00 H new ATOM 0 HD22 ASN B 39 -10.165 -0.440 -2.985 1.00 0.00 H new ATOM 1863 N ALA B 40 -6.066 2.281 -0.461 1.00 0.00 N ATOM 1864 CA ALA B 40 -5.721 3.226 0.595 1.00 0.00 C ATOM 1865 C ALA B 40 -4.624 4.180 0.132 1.00 0.00 C ATOM 1866 O ALA B 40 -4.665 5.373 0.429 1.00 0.00 O ATOM 1867 CB ALA B 40 -5.289 2.482 1.850 1.00 0.00 C ATOM 0 H ALA B 40 -5.879 1.306 -0.228 1.00 0.00 H new ATOM 0 HA ALA B 40 -6.606 3.817 0.829 1.00 0.00 H new ATOM 0 HB1 ALA B 40 -5.035 3.200 2.629 1.00 0.00 H new ATOM 0 HB2 ALA B 40 -6.104 1.846 2.195 1.00 0.00 H new ATOM 0 HB3 ALA B 40 -4.418 1.866 1.626 1.00 0.00 H new ATOM 1873 N VAL B 41 -3.647 3.646 -0.601 1.00 0.00 N ATOM 1874 CA VAL B 41 -2.580 4.464 -1.169 1.00 0.00 C ATOM 1875 C VAL B 41 -3.171 5.550 -2.062 1.00 0.00 C ATOM 1876 O VAL B 41 -2.850 6.730 -1.919 1.00 0.00 O ATOM 1877 CB VAL B 41 -1.579 3.622 -1.997 1.00 0.00 C ATOM 1878 CG1 VAL B 41 -0.506 4.505 -2.606 1.00 0.00 C ATOM 1879 CG2 VAL B 41 -0.932 2.543 -1.146 1.00 0.00 C ATOM 0 H VAL B 41 -3.574 2.651 -0.814 1.00 0.00 H new ATOM 0 HA VAL B 41 -2.041 4.912 -0.334 1.00 0.00 H new ATOM 0 HB VAL B 41 -2.141 3.142 -2.798 1.00 0.00 H new ATOM 0 HG11 VAL B 41 0.186 3.891 -3.183 1.00 0.00 H new ATOM 0 HG12 VAL B 41 -0.970 5.242 -3.261 1.00 0.00 H new ATOM 0 HG13 VAL B 41 0.038 5.016 -1.812 1.00 0.00 H new ATOM 0 HG21 VAL B 41 -0.234 1.969 -1.755 1.00 0.00 H new ATOM 0 HG22 VAL B 41 -0.395 3.006 -0.318 1.00 0.00 H new ATOM 0 HG23 VAL B 41 -1.702 1.879 -0.753 1.00 0.00 H new ATOM 1889 N THR B 42 -4.059 5.143 -2.960 1.00 0.00 N ATOM 1890 CA THR B 42 -4.708 6.071 -3.878 1.00 0.00 C ATOM 1891 C THR B 42 -5.527 7.110 -3.111 1.00 0.00 C ATOM 1892 O THR B 42 -5.561 8.288 -3.478 1.00 0.00 O ATOM 1893 CB THR B 42 -5.617 5.309 -4.863 1.00 0.00 C ATOM 1894 OG1 THR B 42 -4.861 4.287 -5.530 1.00 0.00 O ATOM 1895 CG2 THR B 42 -6.218 6.251 -5.895 1.00 0.00 C ATOM 0 H THR B 42 -4.348 4.171 -3.073 1.00 0.00 H new ATOM 0 HA THR B 42 -3.930 6.587 -4.441 1.00 0.00 H new ATOM 0 HB THR B 42 -6.430 4.856 -4.295 1.00 0.00 H new ATOM 0 HG1 THR B 42 -4.697 3.545 -4.911 1.00 0.00 H new ATOM 0 HG21 THR B 42 -6.854 5.686 -6.576 1.00 0.00 H new ATOM 0 HG22 THR B 42 -6.813 7.012 -5.390 1.00 0.00 H new ATOM 0 HG23 THR B 42 -5.418 6.731 -6.459 1.00 0.00 H new ATOM 1903 N ASN B 43 -6.162 6.666 -2.033 1.00 0.00 N ATOM 1904 CA ASN B 43 -6.962 7.543 -1.179 1.00 0.00 C ATOM 1905 C ASN B 43 -6.088 8.610 -0.517 1.00 0.00 C ATOM 1906 O ASN B 43 -6.532 9.736 -0.289 1.00 0.00 O ATOM 1907 CB ASN B 43 -7.689 6.707 -0.116 1.00 0.00 C ATOM 1908 CG ASN B 43 -8.507 7.546 0.851 1.00 0.00 C ATOM 1909 OD1 ASN B 43 -9.671 7.858 0.595 1.00 0.00 O ATOM 1910 ND2 ASN B 43 -7.913 7.894 1.985 1.00 0.00 N ATOM 0 H ASN B 43 -6.139 5.694 -1.725 1.00 0.00 H new ATOM 0 HA ASN B 43 -7.700 8.054 -1.798 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -8.346 5.993 -0.612 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -6.956 6.129 0.446 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -8.422 8.439 2.681 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -6.947 7.617 2.161 1.00 0.00 H new ATOM 1917 N ILE B 44 -4.844 8.252 -0.214 1.00 0.00 N ATOM 1918 CA ILE B 44 -3.900 9.189 0.388 1.00 0.00 C ATOM 1919 C ILE B 44 -3.309 10.118 -0.674 1.00 0.00 C ATOM 1920 O ILE B 44 -3.234 11.332 -0.479 1.00 0.00 O ATOM 1921 CB ILE B 44 -2.753 8.453 1.118 1.00 0.00 C ATOM 1922 CG1 ILE B 44 -3.306 7.587 2.257 1.00 0.00 C ATOM 1923 CG2 ILE B 44 -1.725 9.444 1.653 1.00 0.00 C ATOM 1924 CD1 ILE B 44 -4.084 8.365 3.301 1.00 0.00 C ATOM 0 H ILE B 44 -4.465 7.319 -0.376 1.00 0.00 H new ATOM 0 HA ILE B 44 -4.455 9.777 1.119 1.00 0.00 H new ATOM 0 HB ILE B 44 -2.257 7.802 0.398 1.00 0.00 H new ATOM 0 HG12 ILE B 44 -3.953 6.819 1.834 1.00 0.00 H new ATOM 0 HG13 ILE B 44 -2.477 7.073 2.744 1.00 0.00 H new ATOM 0 HG21 ILE B 44 -0.928 8.902 2.162 1.00 0.00 H new ATOM 0 HG22 ILE B 44 -1.304 10.014 0.825 1.00 0.00 H new ATOM 0 HG23 ILE B 44 -2.207 10.125 2.355 1.00 0.00 H new ATOM 0 HD11 ILE B 44 -4.442 7.682 4.072 1.00 0.00 H new ATOM 0 HD12 ILE B 44 -3.436 9.116 3.753 1.00 0.00 H new ATOM 0 HD13 ILE B 44 -4.935 8.857 2.829 1.00 0.00 H new ATOM 1936 N ILE B 45 -2.909 9.538 -1.801 1.00 0.00 N ATOM 1937 CA ILE B 45 -2.301 10.295 -2.894 1.00 0.00 C ATOM 1938 C ILE B 45 -3.284 11.311 -3.477 1.00 0.00 C ATOM 1939 O ILE B 45 -2.889 12.369 -3.970 1.00 0.00 O ATOM 1940 CB ILE B 45 -1.785 9.348 -4.005 1.00 0.00 C ATOM 1941 CG1 ILE B 45 -0.710 8.415 -3.439 1.00 0.00 C ATOM 1942 CG2 ILE B 45 -1.233 10.134 -5.186 1.00 0.00 C ATOM 1943 CD1 ILE B 45 -0.124 7.470 -4.463 1.00 0.00 C ATOM 0 H ILE B 45 -2.995 8.538 -1.984 1.00 0.00 H new ATOM 0 HA ILE B 45 -1.451 10.840 -2.483 1.00 0.00 H new ATOM 0 HB ILE B 45 -2.625 8.752 -4.362 1.00 0.00 H new ATOM 0 HG12 ILE B 45 0.092 9.017 -3.012 1.00 0.00 H new ATOM 0 HG13 ILE B 45 -1.140 7.832 -2.624 1.00 0.00 H new ATOM 0 HG21 ILE B 45 -0.878 9.442 -5.950 1.00 0.00 H new ATOM 0 HG22 ILE B 45 -2.019 10.763 -5.603 1.00 0.00 H new ATOM 0 HG23 ILE B 45 -0.406 10.760 -4.852 1.00 0.00 H new ATOM 0 HD11 ILE B 45 0.630 6.841 -3.989 1.00 0.00 H new ATOM 0 HD12 ILE B 45 -0.915 6.842 -4.873 1.00 0.00 H new ATOM 0 HD13 ILE B 45 0.336 8.044 -5.267 1.00 0.00 H new ATOM 1955 N ALA B 46 -4.573 11.002 -3.384 1.00 0.00 N ATOM 1956 CA ALA B 46 -5.616 11.899 -3.868 1.00 0.00 C ATOM 1957 C ALA B 46 -5.700 13.170 -3.019 1.00 0.00 C ATOM 1958 O ALA B 46 -6.344 14.144 -3.408 1.00 0.00 O ATOM 1959 CB ALA B 46 -6.959 11.186 -3.882 1.00 0.00 C ATOM 0 H ALA B 46 -4.921 10.134 -2.976 1.00 0.00 H new ATOM 0 HA ALA B 46 -5.358 12.193 -4.885 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -7.729 11.867 -4.245 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -6.903 10.318 -4.539 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -7.209 10.861 -2.872 1.00 0.00 H new ATOM 1965 N GLN B 47 -5.047 13.157 -1.864 1.00 0.00 N ATOM 1966 CA GLN B 47 -5.046 14.308 -0.971 1.00 0.00 C ATOM 1967 C GLN B 47 -3.835 15.192 -1.254 1.00 0.00 C ATOM 1968 O GLN B 47 -3.657 16.247 -0.645 1.00 0.00 O ATOM 1969 CB GLN B 47 -5.033 13.844 0.487 1.00 0.00 C ATOM 1970 CG GLN B 47 -6.154 12.873 0.812 1.00 0.00 C ATOM 1971 CD GLN B 47 -6.057 12.298 2.210 1.00 0.00 C ATOM 1972 OE1 GLN B 47 -5.582 12.951 3.140 1.00 0.00 O ATOM 1973 NE2 GLN B 47 -6.492 11.059 2.364 1.00 0.00 N ATOM 0 H GLN B 47 -4.510 12.360 -1.523 1.00 0.00 H new ATOM 0 HA GLN B 47 -5.952 14.889 -1.145 1.00 0.00 H new ATOM 0 HB2 GLN B 47 -4.076 13.370 0.703 1.00 0.00 H new ATOM 0 HB3 GLN B 47 -5.113 14.713 1.140 1.00 0.00 H new ATOM 0 HG2 GLN B 47 -7.111 13.382 0.701 1.00 0.00 H new ATOM 0 HG3 GLN B 47 -6.141 12.058 0.089 1.00 0.00 H new ATOM 0 HE21 GLN B 47 -6.879 10.552 1.568 1.00 0.00 H new ATOM 0 HE22 GLN B 47 -6.441 10.610 3.279 1.00 0.00 H new ATOM 1982 N VAL B 48 -3.005 14.747 -2.183 1.00 0.00 N ATOM 1983 CA VAL B 48 -1.815 15.486 -2.582 1.00 0.00 C ATOM 1984 C VAL B 48 -2.107 16.291 -3.847 1.00 0.00 C ATOM 1985 O VAL B 48 -2.733 15.769 -4.769 1.00 0.00 O ATOM 1986 CB VAL B 48 -0.634 14.519 -2.840 1.00 0.00 C ATOM 1987 CG1 VAL B 48 0.648 15.277 -3.150 1.00 0.00 C ATOM 1988 CG2 VAL B 48 -0.435 13.591 -1.651 1.00 0.00 C ATOM 0 H VAL B 48 -3.135 13.867 -2.681 1.00 0.00 H new ATOM 0 HA VAL B 48 -1.540 16.164 -1.774 1.00 0.00 H new ATOM 0 HB VAL B 48 -0.881 13.917 -3.714 1.00 0.00 H new ATOM 0 HG11 VAL B 48 1.457 14.568 -3.326 1.00 0.00 H new ATOM 0 HG12 VAL B 48 0.503 15.889 -4.040 1.00 0.00 H new ATOM 0 HG13 VAL B 48 0.905 15.918 -2.307 1.00 0.00 H new ATOM 0 HG21 VAL B 48 0.399 12.918 -1.850 1.00 0.00 H new ATOM 0 HG22 VAL B 48 -0.220 14.182 -0.760 1.00 0.00 H new ATOM 0 HG23 VAL B 48 -1.341 13.007 -1.489 1.00 0.00 H new ATOM 1998 N PRO B 49 -1.699 17.577 -3.892 1.00 0.00 N ATOM 1999 CA PRO B 49 -1.880 18.437 -5.074 1.00 0.00 C ATOM 2000 C PRO B 49 -1.449 17.743 -6.368 1.00 0.00 C ATOM 2001 O PRO B 49 -0.393 17.117 -6.418 1.00 0.00 O ATOM 2002 CB PRO B 49 -0.972 19.627 -4.777 1.00 0.00 C ATOM 2003 CG PRO B 49 -0.945 19.717 -3.291 1.00 0.00 C ATOM 2004 CD PRO B 49 -1.042 18.301 -2.785 1.00 0.00 C ATOM 0 HA PRO B 49 -2.924 18.706 -5.232 1.00 0.00 H new ATOM 0 HB2 PRO B 49 0.028 19.474 -5.183 1.00 0.00 H new ATOM 0 HB3 PRO B 49 -1.360 20.543 -5.223 1.00 0.00 H new ATOM 0 HG2 PRO B 49 -0.027 20.192 -2.946 1.00 0.00 H new ATOM 0 HG3 PRO B 49 -1.774 20.320 -2.922 1.00 0.00 H new ATOM 0 HD2 PRO B 49 -0.058 17.887 -2.564 1.00 0.00 H new ATOM 0 HD3 PRO B 49 -1.626 18.243 -1.867 1.00 0.00 H new ATOM 2012 N GLU B 50 -2.261 17.887 -7.414 1.00 0.00 N ATOM 2013 CA GLU B 50 -2.099 17.112 -8.648 1.00 0.00 C ATOM 2014 C GLU B 50 -0.730 17.309 -9.299 1.00 0.00 C ATOM 2015 O GLU B 50 -0.162 16.362 -9.847 1.00 0.00 O ATOM 2016 CB GLU B 50 -3.204 17.461 -9.647 1.00 0.00 C ATOM 2017 CG GLU B 50 -4.599 17.303 -9.073 1.00 0.00 C ATOM 2018 CD GLU B 50 -5.670 17.220 -10.144 1.00 0.00 C ATOM 2019 OE1 GLU B 50 -5.913 18.232 -10.831 1.00 0.00 O ATOM 2020 OE2 GLU B 50 -6.283 16.140 -10.296 1.00 0.00 O ATOM 0 H GLU B 50 -3.045 18.539 -7.433 1.00 0.00 H new ATOM 0 HA GLU B 50 -2.174 16.062 -8.367 1.00 0.00 H new ATOM 0 HB2 GLU B 50 -3.070 18.489 -9.982 1.00 0.00 H new ATOM 0 HB3 GLU B 50 -3.105 16.824 -10.526 1.00 0.00 H new ATOM 0 HG2 GLU B 50 -4.635 16.403 -8.460 1.00 0.00 H new ATOM 0 HG3 GLU B 50 -4.814 18.145 -8.415 1.00 0.00 H new ATOM 2027 N SER B 51 -0.188 18.518 -9.213 1.00 0.00 N ATOM 2028 CA SER B 51 1.087 18.837 -9.850 1.00 0.00 C ATOM 2029 C SER B 51 2.225 17.977 -9.295 1.00 0.00 C ATOM 2030 O SER B 51 3.217 17.725 -9.981 1.00 0.00 O ATOM 2031 CB SER B 51 1.397 20.325 -9.671 1.00 0.00 C ATOM 2032 OG SER B 51 0.351 21.123 -10.206 1.00 0.00 O ATOM 0 H SER B 51 -0.612 19.296 -8.708 1.00 0.00 H new ATOM 0 HA SER B 51 1.002 18.614 -10.914 1.00 0.00 H new ATOM 0 HB2 SER B 51 1.528 20.550 -8.612 1.00 0.00 H new ATOM 0 HB3 SER B 51 2.337 20.568 -10.167 1.00 0.00 H new ATOM 0 HG SER B 51 0.566 22.071 -10.081 1.00 0.00 H new ATOM 2038 N LYS B 52 2.079 17.513 -8.057 1.00 0.00 N ATOM 2039 CA LYS B 52 3.082 16.641 -7.457 1.00 0.00 C ATOM 2040 C LYS B 52 2.487 15.270 -7.147 1.00 0.00 C ATOM 2041 O LYS B 52 3.194 14.353 -6.727 1.00 0.00 O ATOM 2042 CB LYS B 52 3.677 17.279 -6.197 1.00 0.00 C ATOM 2043 CG LYS B 52 2.665 17.558 -5.095 1.00 0.00 C ATOM 2044 CD LYS B 52 3.300 18.308 -3.934 1.00 0.00 C ATOM 2045 CE LYS B 52 4.464 17.533 -3.329 1.00 0.00 C ATOM 2046 NZ LYS B 52 5.199 18.337 -2.318 1.00 0.00 N ATOM 0 H LYS B 52 1.283 17.724 -7.455 1.00 0.00 H new ATOM 0 HA LYS B 52 3.890 16.505 -8.176 1.00 0.00 H new ATOM 0 HB2 LYS B 52 4.452 16.622 -5.803 1.00 0.00 H new ATOM 0 HB3 LYS B 52 4.162 18.215 -6.473 1.00 0.00 H new ATOM 0 HG2 LYS B 52 1.838 18.142 -5.498 1.00 0.00 H new ATOM 0 HG3 LYS B 52 2.246 16.617 -4.737 1.00 0.00 H new ATOM 0 HD2 LYS B 52 3.651 19.281 -4.278 1.00 0.00 H new ATOM 0 HD3 LYS B 52 2.549 18.493 -3.166 1.00 0.00 H new ATOM 0 HE2 LYS B 52 4.090 16.620 -2.865 1.00 0.00 H new ATOM 0 HE3 LYS B 52 5.150 17.231 -4.121 1.00 0.00 H new ATOM 0 HZ1 LYS B 52 5.983 17.774 -1.930 1.00 0.00 H new ATOM 0 HZ2 LYS B 52 5.578 19.196 -2.766 1.00 0.00 H new ATOM 0 HZ3 LYS B 52 4.551 18.604 -1.549 1.00 0.00 H new ATOM 2060 N ARG B 53 1.186 15.133 -7.387 1.00 0.00 N ATOM 2061 CA ARG B 53 0.483 13.877 -7.170 1.00 0.00 C ATOM 2062 C ARG B 53 1.020 12.797 -8.098 1.00 0.00 C ATOM 2063 O ARG B 53 1.229 11.655 -7.690 1.00 0.00 O ATOM 2064 CB ARG B 53 -1.014 14.080 -7.411 1.00 0.00 C ATOM 2065 CG ARG B 53 -1.846 12.825 -7.234 1.00 0.00 C ATOM 2066 CD ARG B 53 -3.316 13.092 -7.499 1.00 0.00 C ATOM 2067 NE ARG B 53 -3.868 14.066 -6.563 1.00 0.00 N ATOM 2068 CZ ARG B 53 -5.001 14.731 -6.760 1.00 0.00 C ATOM 2069 NH1 ARG B 53 -5.712 14.529 -7.864 1.00 0.00 N ATOM 2070 NH2 ARG B 53 -5.414 15.607 -5.856 1.00 0.00 N ATOM 0 H ARG B 53 0.594 15.887 -7.736 1.00 0.00 H new ATOM 0 HA ARG B 53 0.643 13.556 -6.141 1.00 0.00 H new ATOM 0 HB2 ARG B 53 -1.381 14.845 -6.727 1.00 0.00 H new ATOM 0 HB3 ARG B 53 -1.160 14.460 -8.422 1.00 0.00 H new ATOM 0 HG2 ARG B 53 -1.488 12.051 -7.912 1.00 0.00 H new ATOM 0 HG3 ARG B 53 -1.721 12.444 -6.220 1.00 0.00 H new ATOM 0 HD2 ARG B 53 -3.441 13.457 -8.519 1.00 0.00 H new ATOM 0 HD3 ARG B 53 -3.874 12.159 -7.424 1.00 0.00 H new ATOM 0 HE ARG B 53 -3.351 14.248 -5.703 1.00 0.00 H new ATOM 0 HH11 ARG B 53 -5.388 13.861 -8.564 1.00 0.00 H new ATOM 0 HH12 ARG B 53 -6.581 15.042 -8.012 1.00 0.00 H new ATOM 0 HH21 ARG B 53 -4.863 15.768 -5.013 1.00 0.00 H new ATOM 0 HH22 ARG B 53 -6.283 16.120 -6.003 1.00 0.00 H new ATOM 2084 N VAL B 54 1.256 13.174 -9.347 1.00 0.00 N ATOM 2085 CA VAL B 54 1.779 12.249 -10.343 1.00 0.00 C ATOM 2086 C VAL B 54 3.195 11.809 -9.970 1.00 0.00 C ATOM 2087 O VAL B 54 3.601 10.673 -10.230 1.00 0.00 O ATOM 2088 CB VAL B 54 1.790 12.894 -11.748 1.00 0.00 C ATOM 2089 CG1 VAL B 54 2.166 11.878 -12.814 1.00 0.00 C ATOM 2090 CG2 VAL B 54 0.440 13.522 -12.062 1.00 0.00 C ATOM 0 H VAL B 54 1.093 14.118 -9.696 1.00 0.00 H new ATOM 0 HA VAL B 54 1.125 11.378 -10.365 1.00 0.00 H new ATOM 0 HB VAL B 54 2.545 13.680 -11.749 1.00 0.00 H new ATOM 0 HG11 VAL B 54 2.166 12.360 -13.792 1.00 0.00 H new ATOM 0 HG12 VAL B 54 3.160 11.482 -12.605 1.00 0.00 H new ATOM 0 HG13 VAL B 54 1.443 11.063 -12.811 1.00 0.00 H new ATOM 0 HG21 VAL B 54 0.469 13.970 -13.055 1.00 0.00 H new ATOM 0 HG22 VAL B 54 -0.334 12.755 -12.033 1.00 0.00 H new ATOM 0 HG23 VAL B 54 0.216 14.291 -11.323 1.00 0.00 H new ATOM 2100 N ALA B 55 3.927 12.707 -9.324 1.00 0.00 N ATOM 2101 CA ALA B 55 5.302 12.435 -8.934 1.00 0.00 C ATOM 2102 C ALA B 55 5.368 11.464 -7.757 1.00 0.00 C ATOM 2103 O ALA B 55 6.137 10.503 -7.781 1.00 0.00 O ATOM 2104 CB ALA B 55 6.019 13.734 -8.593 1.00 0.00 C ATOM 0 H ALA B 55 3.589 13.632 -9.059 1.00 0.00 H new ATOM 0 HA ALA B 55 5.804 11.964 -9.780 1.00 0.00 H new ATOM 0 HB1 ALA B 55 7.047 13.517 -8.303 1.00 0.00 H new ATOM 0 HB2 ALA B 55 6.019 14.389 -9.464 1.00 0.00 H new ATOM 0 HB3 ALA B 55 5.505 14.227 -7.768 1.00 0.00 H new ATOM 2110 N VAL B 56 4.551 11.708 -6.732 1.00 0.00 N ATOM 2111 CA VAL B 56 4.577 10.879 -5.527 1.00 0.00 C ATOM 2112 C VAL B 56 4.107 9.453 -5.811 1.00 0.00 C ATOM 2113 O VAL B 56 4.648 8.501 -5.251 1.00 0.00 O ATOM 2114 CB VAL B 56 3.748 11.488 -4.365 1.00 0.00 C ATOM 2115 CG1 VAL B 56 4.339 12.820 -3.930 1.00 0.00 C ATOM 2116 CG2 VAL B 56 2.286 11.657 -4.746 1.00 0.00 C ATOM 0 H VAL B 56 3.869 12.466 -6.711 1.00 0.00 H new ATOM 0 HA VAL B 56 5.620 10.848 -5.211 1.00 0.00 H new ATOM 0 HB VAL B 56 3.794 10.791 -3.528 1.00 0.00 H new ATOM 0 HG11 VAL B 56 3.745 13.233 -3.114 1.00 0.00 H new ATOM 0 HG12 VAL B 56 5.364 12.670 -3.592 1.00 0.00 H new ATOM 0 HG13 VAL B 56 4.332 13.513 -4.771 1.00 0.00 H new ATOM 0 HG21 VAL B 56 1.739 12.086 -3.907 1.00 0.00 H new ATOM 0 HG22 VAL B 56 2.209 12.321 -5.607 1.00 0.00 H new ATOM 0 HG23 VAL B 56 1.861 10.685 -4.998 1.00 0.00 H new ATOM 2126 N VAL B 57 3.122 9.297 -6.697 1.00 0.00 N ATOM 2127 CA VAL B 57 2.648 7.963 -7.046 1.00 0.00 C ATOM 2128 C VAL B 57 3.694 7.228 -7.884 1.00 0.00 C ATOM 2129 O VAL B 57 3.898 6.024 -7.716 1.00 0.00 O ATOM 2130 CB VAL B 57 1.281 7.980 -7.780 1.00 0.00 C ATOM 2131 CG1 VAL B 57 1.349 8.765 -9.079 1.00 0.00 C ATOM 2132 CG2 VAL B 57 0.797 6.560 -8.040 1.00 0.00 C ATOM 0 H VAL B 57 2.647 10.062 -7.176 1.00 0.00 H new ATOM 0 HA VAL B 57 2.494 7.429 -6.108 1.00 0.00 H new ATOM 0 HB VAL B 57 0.565 8.483 -7.129 1.00 0.00 H new ATOM 0 HG11 VAL B 57 0.372 8.753 -9.563 1.00 0.00 H new ATOM 0 HG12 VAL B 57 1.637 9.795 -8.867 1.00 0.00 H new ATOM 0 HG13 VAL B 57 2.087 8.311 -9.740 1.00 0.00 H new ATOM 0 HG21 VAL B 57 -0.163 6.591 -8.555 1.00 0.00 H new ATOM 0 HG22 VAL B 57 1.524 6.035 -8.659 1.00 0.00 H new ATOM 0 HG23 VAL B 57 0.683 6.035 -7.092 1.00 0.00 H new ATOM 2142 N ASP B 58 4.383 7.953 -8.762 1.00 0.00 N ATOM 2143 CA ASP B 58 5.437 7.349 -9.571 1.00 0.00 C ATOM 2144 C ASP B 58 6.601 6.935 -8.685 1.00 0.00 C ATOM 2145 O ASP B 58 7.103 5.818 -8.791 1.00 0.00 O ATOM 2146 CB ASP B 58 5.931 8.307 -10.652 1.00 0.00 C ATOM 2147 CG ASP B 58 6.921 7.643 -11.586 1.00 0.00 C ATOM 2148 OD1 ASP B 58 6.481 6.936 -12.515 1.00 0.00 O ATOM 2149 OD2 ASP B 58 8.137 7.826 -11.392 1.00 0.00 O ATOM 0 H ASP B 58 4.233 8.948 -8.930 1.00 0.00 H new ATOM 0 HA ASP B 58 5.018 6.470 -10.061 1.00 0.00 H new ATOM 0 HB2 ASP B 58 5.081 8.676 -11.226 1.00 0.00 H new ATOM 0 HB3 ASP B 58 6.399 9.173 -10.183 1.00 0.00 H new ATOM 2154 N ASN B 59 7.012 7.836 -7.799 1.00 0.00 N ATOM 2155 CA ASN B 59 8.047 7.536 -6.813 1.00 0.00 C ATOM 2156 C ASN B 59 7.668 6.311 -5.994 1.00 0.00 C ATOM 2157 O ASN B 59 8.509 5.461 -5.716 1.00 0.00 O ATOM 2158 CB ASN B 59 8.261 8.739 -5.890 1.00 0.00 C ATOM 2159 CG ASN B 59 9.063 8.404 -4.643 1.00 0.00 C ATOM 2160 OD1 ASN B 59 10.294 8.394 -4.661 1.00 0.00 O ATOM 2161 ND2 ASN B 59 8.368 8.158 -3.540 1.00 0.00 N ATOM 0 H ASN B 59 6.643 8.785 -7.743 1.00 0.00 H new ATOM 0 HA ASN B 59 8.976 7.325 -7.342 1.00 0.00 H new ATOM 0 HB2 ASN B 59 8.774 9.526 -6.443 1.00 0.00 H new ATOM 0 HB3 ASN B 59 7.291 9.138 -5.594 1.00 0.00 H new ATOM 0 HD21 ASN B 59 8.853 7.951 -2.667 1.00 0.00 H new ATOM 0 HD22 ASN B 59 7.348 8.176 -3.565 1.00 0.00 H new ATOM 2168 N PHE B 60 6.395 6.228 -5.626 1.00 0.00 N ATOM 2169 CA PHE B 60 5.881 5.090 -4.876 1.00 0.00 C ATOM 2170 C PHE B 60 6.039 3.811 -5.685 1.00 0.00 C ATOM 2171 O PHE B 60 6.590 2.824 -5.202 1.00 0.00 O ATOM 2172 CB PHE B 60 4.407 5.305 -4.532 1.00 0.00 C ATOM 2173 CG PHE B 60 3.861 4.320 -3.537 1.00 0.00 C ATOM 2174 CD1 PHE B 60 4.174 4.428 -2.192 1.00 0.00 C ATOM 2175 CD2 PHE B 60 3.027 3.296 -3.946 1.00 0.00 C ATOM 2176 CE1 PHE B 60 3.664 3.531 -1.274 1.00 0.00 C ATOM 2177 CE2 PHE B 60 2.516 2.393 -3.033 1.00 0.00 C ATOM 2178 CZ PHE B 60 2.834 2.511 -1.695 1.00 0.00 C ATOM 0 H PHE B 60 5.696 6.941 -5.837 1.00 0.00 H new ATOM 0 HA PHE B 60 6.452 4.999 -3.952 1.00 0.00 H new ATOM 0 HB2 PHE B 60 4.280 6.313 -4.137 1.00 0.00 H new ATOM 0 HB3 PHE B 60 3.818 5.245 -5.447 1.00 0.00 H new ATOM 0 HD1 PHE B 60 4.824 5.223 -1.857 1.00 0.00 H new ATOM 0 HD2 PHE B 60 2.772 3.201 -4.991 1.00 0.00 H new ATOM 0 HE1 PHE B 60 3.914 3.627 -0.228 1.00 0.00 H new ATOM 0 HE2 PHE B 60 1.868 1.596 -3.366 1.00 0.00 H new ATOM 0 HZ PHE B 60 2.435 1.807 -0.979 1.00 0.00 H new ATOM 2188 N THR B 61 5.569 3.846 -6.926 1.00 0.00 N ATOM 2189 CA THR B 61 5.634 2.684 -7.797 1.00 0.00 C ATOM 2190 C THR B 61 7.082 2.295 -8.106 1.00 0.00 C ATOM 2191 O THR B 61 7.417 1.109 -8.168 1.00 0.00 O ATOM 2192 CB THR B 61 4.852 2.919 -9.108 1.00 0.00 C ATOM 2193 OG1 THR B 61 5.327 4.091 -9.791 1.00 0.00 O ATOM 2194 CG2 THR B 61 3.362 3.064 -8.821 1.00 0.00 C ATOM 0 H THR B 61 5.139 4.668 -7.350 1.00 0.00 H new ATOM 0 HA THR B 61 5.166 1.858 -7.262 1.00 0.00 H new ATOM 0 HB THR B 61 5.013 2.053 -9.750 1.00 0.00 H new ATOM 0 HG1 THR B 61 5.958 4.572 -9.215 1.00 0.00 H new ATOM 0 HG21 THR B 61 2.826 3.229 -9.756 1.00 0.00 H new ATOM 0 HG22 THR B 61 2.993 2.155 -8.346 1.00 0.00 H new ATOM 0 HG23 THR B 61 3.200 3.912 -8.155 1.00 0.00 H new ATOM 2202 N LYS B 62 7.941 3.295 -8.282 1.00 0.00 N ATOM 2203 CA LYS B 62 9.354 3.049 -8.532 1.00 0.00 C ATOM 2204 C LYS B 62 10.016 2.461 -7.289 1.00 0.00 C ATOM 2205 O LYS B 62 10.777 1.494 -7.378 1.00 0.00 O ATOM 2206 CB LYS B 62 10.052 4.346 -8.945 1.00 0.00 C ATOM 2207 CG LYS B 62 11.464 4.136 -9.472 1.00 0.00 C ATOM 2208 CD LYS B 62 12.098 5.451 -9.897 1.00 0.00 C ATOM 2209 CE LYS B 62 13.459 5.234 -10.538 1.00 0.00 C ATOM 2210 NZ LYS B 62 14.062 6.513 -10.994 1.00 0.00 N ATOM 0 H LYS B 62 7.682 4.281 -8.256 1.00 0.00 H new ATOM 0 HA LYS B 62 9.446 2.331 -9.347 1.00 0.00 H new ATOM 0 HB2 LYS B 62 9.457 4.841 -9.712 1.00 0.00 H new ATOM 0 HB3 LYS B 62 10.089 5.018 -8.088 1.00 0.00 H new ATOM 0 HG2 LYS B 62 12.076 3.668 -8.701 1.00 0.00 H new ATOM 0 HG3 LYS B 62 11.440 3.451 -10.320 1.00 0.00 H new ATOM 0 HD2 LYS B 62 11.441 5.962 -10.601 1.00 0.00 H new ATOM 0 HD3 LYS B 62 12.203 6.102 -9.029 1.00 0.00 H new ATOM 0 HE2 LYS B 62 14.125 4.752 -9.823 1.00 0.00 H new ATOM 0 HE3 LYS B 62 13.358 4.557 -11.386 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 14.989 6.325 -11.426 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 13.438 6.961 -11.695 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 14.182 7.150 -10.181 1.00 0.00 H new ATOM 2224 N ALA B 63 9.712 3.044 -6.129 1.00 0.00 N ATOM 2225 CA ALA B 63 10.226 2.538 -4.860 1.00 0.00 C ATOM 2226 C ALA B 63 9.801 1.091 -4.632 1.00 0.00 C ATOM 2227 O ALA B 63 10.595 0.271 -4.174 1.00 0.00 O ATOM 2228 CB ALA B 63 9.757 3.411 -3.707 1.00 0.00 C ATOM 0 H ALA B 63 9.113 3.865 -6.044 1.00 0.00 H new ATOM 0 HA ALA B 63 11.315 2.570 -4.905 1.00 0.00 H new ATOM 0 HB1 ALA B 63 10.150 3.018 -2.770 1.00 0.00 H new ATOM 0 HB2 ALA B 63 10.116 4.430 -3.852 1.00 0.00 H new ATOM 0 HB3 ALA B 63 8.668 3.412 -3.671 1.00 0.00 H new ATOM 2234 N LEU B 64 8.544 0.784 -4.954 1.00 0.00 N ATOM 2235 CA LEU B 64 8.013 -0.571 -4.814 1.00 0.00 C ATOM 2236 C LEU B 64 8.843 -1.581 -5.597 1.00 0.00 C ATOM 2237 O LEU B 64 9.314 -2.562 -5.035 1.00 0.00 O ATOM 2238 CB LEU B 64 6.560 -0.636 -5.286 1.00 0.00 C ATOM 2239 CG LEU B 64 5.526 -0.090 -4.307 1.00 0.00 C ATOM 2240 CD1 LEU B 64 4.160 -0.021 -4.970 1.00 0.00 C ATOM 2241 CD2 LEU B 64 5.470 -0.959 -3.057 1.00 0.00 C ATOM 0 H LEU B 64 7.872 1.460 -5.316 1.00 0.00 H new ATOM 0 HA LEU B 64 8.062 -0.826 -3.755 1.00 0.00 H new ATOM 0 HB2 LEU B 64 6.475 -0.084 -6.222 1.00 0.00 H new ATOM 0 HB3 LEU B 64 6.314 -1.675 -5.505 1.00 0.00 H new ATOM 0 HG LEU B 64 5.820 0.918 -4.013 1.00 0.00 H new ATOM 0 HD11 LEU B 64 3.431 0.370 -4.261 1.00 0.00 H new ATOM 0 HD12 LEU B 64 4.210 0.636 -5.839 1.00 0.00 H new ATOM 0 HD13 LEU B 64 3.858 -1.019 -5.287 1.00 0.00 H new ATOM 0 HD21 LEU B 64 4.728 -0.557 -2.367 1.00 0.00 H new ATOM 0 HD22 LEU B 64 5.195 -1.977 -3.333 1.00 0.00 H new ATOM 0 HD23 LEU B 64 6.447 -0.966 -2.574 1.00 0.00 H new ATOM 2253 N LYS B 65 9.017 -1.328 -6.888 1.00 0.00 N ATOM 2254 CA LYS B 65 9.774 -2.229 -7.755 1.00 0.00 C ATOM 2255 C LYS B 65 11.158 -2.518 -7.172 1.00 0.00 C ATOM 2256 O LYS B 65 11.568 -3.678 -7.050 1.00 0.00 O ATOM 2257 CB LYS B 65 9.894 -1.621 -9.155 1.00 0.00 C ATOM 2258 CG LYS B 65 8.573 -1.594 -9.909 1.00 0.00 C ATOM 2259 CD LYS B 65 8.641 -0.708 -11.142 1.00 0.00 C ATOM 2260 CE LYS B 65 7.383 -0.834 -11.988 1.00 0.00 C ATOM 2261 NZ LYS B 65 7.321 -2.139 -12.701 1.00 0.00 N ATOM 0 H LYS B 65 8.644 -0.505 -7.361 1.00 0.00 H new ATOM 0 HA LYS B 65 9.239 -3.176 -7.824 1.00 0.00 H new ATOM 0 HB2 LYS B 65 10.279 -0.605 -9.071 1.00 0.00 H new ATOM 0 HB3 LYS B 65 10.623 -2.191 -9.731 1.00 0.00 H new ATOM 0 HG2 LYS B 65 8.303 -2.608 -10.205 1.00 0.00 H new ATOM 0 HG3 LYS B 65 7.785 -1.235 -9.247 1.00 0.00 H new ATOM 0 HD2 LYS B 65 8.774 0.330 -10.838 1.00 0.00 H new ATOM 0 HD3 LYS B 65 9.511 -0.980 -11.739 1.00 0.00 H new ATOM 0 HE2 LYS B 65 6.505 -0.726 -11.351 1.00 0.00 H new ATOM 0 HE3 LYS B 65 7.351 -0.022 -12.714 1.00 0.00 H new ATOM 0 HZ1 LYS B 65 6.418 -2.213 -13.212 1.00 0.00 H new ATOM 0 HZ2 LYS B 65 8.108 -2.202 -13.378 1.00 0.00 H new ATOM 0 HZ3 LYS B 65 7.394 -2.915 -12.012 1.00 0.00 H new ATOM 2275 N GLN B 66 11.854 -1.457 -6.784 1.00 0.00 N ATOM 2276 CA GLN B 66 13.171 -1.586 -6.176 1.00 0.00 C ATOM 2277 C GLN B 66 13.100 -2.378 -4.873 1.00 0.00 C ATOM 2278 O GLN B 66 13.835 -3.344 -4.689 1.00 0.00 O ATOM 2279 CB GLN B 66 13.775 -0.203 -5.919 1.00 0.00 C ATOM 2280 CG GLN B 66 15.044 -0.237 -5.079 1.00 0.00 C ATOM 2281 CD GLN B 66 15.632 1.138 -4.839 1.00 0.00 C ATOM 2282 OE1 GLN B 66 16.224 1.397 -3.788 1.00 0.00 O ATOM 2283 NE2 GLN B 66 15.500 2.021 -5.817 1.00 0.00 N ATOM 0 H GLN B 66 11.527 -0.496 -6.880 1.00 0.00 H new ATOM 0 HA GLN B 66 13.811 -2.130 -6.871 1.00 0.00 H new ATOM 0 HB2 GLN B 66 13.995 0.271 -6.875 1.00 0.00 H new ATOM 0 HB3 GLN B 66 13.034 0.420 -5.418 1.00 0.00 H new ATOM 0 HG2 GLN B 66 14.825 -0.705 -4.119 1.00 0.00 H new ATOM 0 HG3 GLN B 66 15.786 -0.862 -5.577 1.00 0.00 H new ATOM 0 HE21 GLN B 66 15.003 1.766 -6.670 1.00 0.00 H new ATOM 0 HE22 GLN B 66 15.896 2.956 -5.717 1.00 0.00 H new ATOM 2292 N SER B 67 12.196 -1.986 -3.987 1.00 0.00 N ATOM 2293 CA SER B 67 12.123 -2.585 -2.661 1.00 0.00 C ATOM 2294 C SER B 67 11.680 -4.046 -2.709 1.00 0.00 C ATOM 2295 O SER B 67 12.034 -4.827 -1.833 1.00 0.00 O ATOM 2296 CB SER B 67 11.194 -1.776 -1.760 1.00 0.00 C ATOM 2297 OG SER B 67 9.927 -1.580 -2.359 1.00 0.00 O ATOM 0 H SER B 67 11.504 -1.257 -4.161 1.00 0.00 H new ATOM 0 HA SER B 67 13.130 -2.567 -2.244 1.00 0.00 H new ATOM 0 HB2 SER B 67 11.071 -2.291 -0.807 1.00 0.00 H new ATOM 0 HB3 SER B 67 11.648 -0.809 -1.543 1.00 0.00 H new ATOM 0 HG SER B 67 9.930 -0.740 -2.864 1.00 0.00 H new ATOM 2303 N VAL B 68 10.908 -4.418 -3.722 1.00 0.00 N ATOM 2304 CA VAL B 68 10.524 -5.813 -3.902 1.00 0.00 C ATOM 2305 C VAL B 68 11.741 -6.641 -4.311 1.00 0.00 C ATOM 2306 O VAL B 68 11.920 -7.769 -3.851 1.00 0.00 O ATOM 2307 CB VAL B 68 9.398 -5.973 -4.949 1.00 0.00 C ATOM 2308 CG1 VAL B 68 9.133 -7.440 -5.255 1.00 0.00 C ATOM 2309 CG2 VAL B 68 8.124 -5.304 -4.459 1.00 0.00 C ATOM 0 H VAL B 68 10.538 -3.780 -4.426 1.00 0.00 H new ATOM 0 HA VAL B 68 10.139 -6.174 -2.948 1.00 0.00 H new ATOM 0 HB VAL B 68 9.725 -5.489 -5.869 1.00 0.00 H new ATOM 0 HG11 VAL B 68 8.336 -7.519 -5.994 1.00 0.00 H new ATOM 0 HG12 VAL B 68 10.040 -7.899 -5.648 1.00 0.00 H new ATOM 0 HG13 VAL B 68 8.833 -7.954 -4.342 1.00 0.00 H new ATOM 0 HG21 VAL B 68 7.339 -5.424 -5.206 1.00 0.00 H new ATOM 0 HG22 VAL B 68 7.808 -5.765 -3.523 1.00 0.00 H new ATOM 0 HG23 VAL B 68 8.310 -4.242 -4.296 1.00 0.00 H new