USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 566 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 Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 9 MET CE :methyl -152:sc= -0.0948 (180deg=-0.769) USER MOD Single : A 10 GLN : amide:sc= -1.65 K(o=-1.6,f=0) USER MOD Single : A 16 ASN : amide:sc= -0.0296 X(o=-0.03,f=-0.26) USER MOD Single : A 19 ASN : amide:sc= -0.314 X(o=-0.31,f=-0.56) USER MOD Single : A 21 THR OG1 : rot -82:sc= 1.33 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -0.0592 K(o=-0.059,f=-1.4!) USER MOD Single : A 30 HIS : no HD1:sc= -0.124 X(o=-0.12,f=-0.036) USER MOD Single : A 35 HIS : no HD1:sc= -0.42 X(o=-0.42,f=-0.023) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= -0.0729 X(o=-0.073,f=-0.14) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 46:sc= 0.013 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 74 N VAL A 6 12.514 3.711 1.732 1.00 0.00 N ATOM 75 CA VAL A 6 13.166 4.739 2.535 1.00 0.00 C ATOM 76 C VAL A 6 12.140 5.644 3.207 1.00 0.00 C ATOM 77 O VAL A 6 11.206 6.125 2.565 1.00 0.00 O ATOM 78 CB VAL A 6 14.113 5.602 1.679 1.00 0.00 C ATOM 79 CG1 VAL A 6 15.378 4.830 1.339 1.00 0.00 C ATOM 80 CG2 VAL A 6 13.408 6.072 0.416 1.00 0.00 C ATOM 0 HA VAL A 6 13.747 4.223 3.299 1.00 0.00 H new ATOM 0 HB VAL A 6 14.398 6.481 2.257 1.00 0.00 H new ATOM 0 HG11 VAL A 6 16.035 5.456 0.734 1.00 0.00 H new ATOM 0 HG12 VAL A 6 15.891 4.549 2.259 1.00 0.00 H new ATOM 0 HG13 VAL A 6 15.117 3.931 0.780 1.00 0.00 H new ATOM 0 HG21 VAL A 6 14.091 6.680 -0.177 1.00 0.00 H new ATOM 0 HG22 VAL A 6 13.092 5.207 -0.168 1.00 0.00 H new ATOM 0 HG23 VAL A 6 12.535 6.666 0.686 1.00 0.00 H new ATOM 90 N ILE A 7 12.320 5.872 4.504 1.00 0.00 N ATOM 91 CA ILE A 7 11.411 6.720 5.264 1.00 0.00 C ATOM 92 C ILE A 7 11.989 8.119 5.449 1.00 0.00 C ATOM 93 O ILE A 7 13.164 8.275 5.782 1.00 0.00 O ATOM 94 CB ILE A 7 11.101 6.118 6.647 1.00 0.00 C ATOM 95 CG1 ILE A 7 12.376 6.035 7.488 1.00 0.00 C ATOM 96 CG2 ILE A 7 10.469 4.742 6.496 1.00 0.00 C ATOM 97 CD1 ILE A 7 12.499 7.144 8.509 1.00 0.00 C ATOM 0 H ILE A 7 13.088 5.481 5.050 1.00 0.00 H new ATOM 0 HA ILE A 7 10.487 6.784 4.690 1.00 0.00 H new ATOM 0 HB ILE A 7 10.392 6.768 7.159 1.00 0.00 H new ATOM 0 HG12 ILE A 7 12.401 5.074 8.002 1.00 0.00 H new ATOM 0 HG13 ILE A 7 13.241 6.064 6.826 1.00 0.00 H new ATOM 0 HG21 ILE A 7 10.256 4.329 7.482 1.00 0.00 H new ATOM 0 HG22 ILE A 7 9.541 4.828 5.930 1.00 0.00 H new ATOM 0 HG23 ILE A 7 11.157 4.082 5.967 1.00 0.00 H new ATOM 0 HD11 ILE A 7 13.426 7.022 9.069 1.00 0.00 H new ATOM 0 HD12 ILE A 7 12.506 8.108 8.000 1.00 0.00 H new ATOM 0 HD13 ILE A 7 11.653 7.102 9.195 1.00 0.00 H new ATOM 109 N GLN A 8 11.157 9.132 5.232 1.00 0.00 N ATOM 110 CA GLN A 8 11.586 10.518 5.376 1.00 0.00 C ATOM 111 C GLN A 8 11.460 10.979 6.824 1.00 0.00 C ATOM 112 O GLN A 8 10.360 11.035 7.374 1.00 0.00 O ATOM 113 CB GLN A 8 10.760 11.427 4.464 1.00 0.00 C ATOM 114 CG GLN A 8 10.814 11.030 2.998 1.00 0.00 C ATOM 115 CD GLN A 8 9.570 11.442 2.236 1.00 0.00 C ATOM 116 OE1 GLN A 8 8.472 10.952 2.505 1.00 0.00 O ATOM 117 NE2 GLN A 8 9.734 12.347 1.278 1.00 0.00 N ATOM 0 H GLN A 8 10.182 9.019 4.956 1.00 0.00 H new ATOM 0 HA GLN A 8 12.635 10.580 5.085 1.00 0.00 H new ATOM 0 HB2 GLN A 8 9.722 11.415 4.797 1.00 0.00 H new ATOM 0 HB3 GLN A 8 11.116 12.452 4.568 1.00 0.00 H new ATOM 0 HG2 GLN A 8 11.688 11.487 2.534 1.00 0.00 H new ATOM 0 HG3 GLN A 8 10.941 9.950 2.922 1.00 0.00 H new ATOM 0 HE21 GLN A 8 10.662 12.727 1.089 1.00 0.00 H new ATOM 0 HE22 GLN A 8 8.932 12.662 0.732 1.00 0.00 H new ATOM 126 N MET A 9 12.592 11.308 7.436 1.00 0.00 N ATOM 127 CA MET A 9 12.608 11.765 8.821 1.00 0.00 C ATOM 128 C MET A 9 12.930 13.254 8.898 1.00 0.00 C ATOM 129 O MET A 9 13.573 13.805 8.006 1.00 0.00 O ATOM 130 CB MET A 9 13.630 10.967 9.633 1.00 0.00 C ATOM 131 CG MET A 9 13.258 10.819 11.099 1.00 0.00 C ATOM 132 SD MET A 9 12.162 9.419 11.400 1.00 0.00 S ATOM 133 CE MET A 9 10.583 10.252 11.547 1.00 0.00 C ATOM 0 H MET A 9 13.511 11.267 6.995 1.00 0.00 H new ATOM 0 HA MET A 9 11.616 11.604 9.242 1.00 0.00 H new ATOM 0 HB2 MET A 9 13.738 9.976 9.192 1.00 0.00 H new ATOM 0 HB3 MET A 9 14.601 11.456 9.561 1.00 0.00 H new ATOM 0 HG2 MET A 9 14.166 10.698 11.690 1.00 0.00 H new ATOM 0 HG3 MET A 9 12.775 11.734 11.441 1.00 0.00 H new ATOM 0 HE1 MET A 9 9.924 9.671 12.192 1.00 0.00 H new ATOM 0 HE2 MET A 9 10.733 11.242 11.978 1.00 0.00 H new ATOM 0 HE3 MET A 9 10.131 10.351 10.560 1.00 0.00 H new ATOM 143 N GLN A 10 12.478 13.898 9.970 1.00 0.00 N ATOM 144 CA GLN A 10 12.719 15.323 10.161 1.00 0.00 C ATOM 145 C GLN A 10 13.785 15.557 11.227 1.00 0.00 C ATOM 146 O GLN A 10 13.560 15.307 12.410 1.00 0.00 O ATOM 147 CB GLN A 10 11.422 16.032 10.557 1.00 0.00 C ATOM 148 CG GLN A 10 10.724 16.717 9.393 1.00 0.00 C ATOM 149 CD GLN A 10 9.563 15.906 8.851 1.00 0.00 C ATOM 150 OE1 GLN A 10 8.450 16.414 8.705 1.00 0.00 O ATOM 151 NE2 GLN A 10 9.816 14.638 8.548 1.00 0.00 N ATOM 0 H GLN A 10 11.944 13.456 10.718 1.00 0.00 H new ATOM 0 HA GLN A 10 13.078 15.735 9.218 1.00 0.00 H new ATOM 0 HB2 GLN A 10 10.742 15.306 11.001 1.00 0.00 H new ATOM 0 HB3 GLN A 10 11.643 16.773 11.325 1.00 0.00 H new ATOM 0 HG2 GLN A 10 10.362 17.693 9.715 1.00 0.00 H new ATOM 0 HG3 GLN A 10 11.445 16.892 8.594 1.00 0.00 H new ATOM 0 HE21 GLN A 10 10.753 14.258 8.685 1.00 0.00 H new ATOM 0 HE22 GLN A 10 9.074 14.044 8.179 1.00 0.00 H new ATOM 160 N GLY A 11 14.948 16.038 10.797 1.00 0.00 N ATOM 161 CA GLY A 11 16.032 16.297 11.727 1.00 0.00 C ATOM 162 C GLY A 11 16.611 17.689 11.569 1.00 0.00 C ATOM 163 O GLY A 11 16.237 18.424 10.655 1.00 0.00 O ATOM 0 H GLY A 11 15.159 16.253 9.822 1.00 0.00 H new ATOM 0 HA2 GLY A 11 15.669 16.171 12.747 1.00 0.00 H new ATOM 0 HA3 GLY A 11 16.820 15.560 11.576 1.00 0.00 H new ATOM 167 N GLU A 12 17.525 18.053 12.463 1.00 0.00 N ATOM 168 CA GLU A 12 18.154 19.368 12.420 1.00 0.00 C ATOM 169 C GLU A 12 19.644 19.248 12.115 1.00 0.00 C ATOM 170 O GLU A 12 20.327 18.365 12.635 1.00 0.00 O ATOM 171 CB GLU A 12 17.951 20.099 13.748 1.00 0.00 C ATOM 172 CG GLU A 12 18.816 21.339 13.899 1.00 0.00 C ATOM 173 CD GLU A 12 18.067 22.502 14.520 1.00 0.00 C ATOM 174 OE1 GLU A 12 17.209 23.091 13.829 1.00 0.00 O ATOM 175 OE2 GLU A 12 18.337 22.823 15.696 1.00 0.00 O ATOM 0 H GLU A 12 17.846 17.456 13.225 1.00 0.00 H new ATOM 0 HA GLU A 12 17.682 19.942 11.622 1.00 0.00 H new ATOM 0 HB2 GLU A 12 16.903 20.384 13.840 1.00 0.00 H new ATOM 0 HB3 GLU A 12 18.168 19.413 14.567 1.00 0.00 H new ATOM 0 HG2 GLU A 12 19.683 21.100 14.515 1.00 0.00 H new ATOM 0 HG3 GLU A 12 19.193 21.636 12.920 1.00 0.00 H new ATOM 182 N VAL A 13 20.143 20.143 11.268 1.00 0.00 N ATOM 183 CA VAL A 13 21.552 20.139 10.893 1.00 0.00 C ATOM 184 C VAL A 13 22.432 20.573 12.059 1.00 0.00 C ATOM 185 O VAL A 13 22.306 21.690 12.563 1.00 0.00 O ATOM 186 CB VAL A 13 21.816 21.066 9.692 1.00 0.00 C ATOM 187 CG1 VAL A 13 23.301 21.107 9.364 1.00 0.00 C ATOM 188 CG2 VAL A 13 21.008 20.616 8.484 1.00 0.00 C ATOM 0 H VAL A 13 19.592 20.880 10.828 1.00 0.00 H new ATOM 0 HA VAL A 13 21.802 19.115 10.614 1.00 0.00 H new ATOM 0 HB VAL A 13 21.499 22.074 9.958 1.00 0.00 H new ATOM 0 HG11 VAL A 13 23.468 21.767 8.513 1.00 0.00 H new ATOM 0 HG12 VAL A 13 23.854 21.480 10.226 1.00 0.00 H new ATOM 0 HG13 VAL A 13 23.647 20.103 9.118 1.00 0.00 H new ATOM 0 HG21 VAL A 13 21.207 21.282 7.645 1.00 0.00 H new ATOM 0 HG22 VAL A 13 21.292 19.599 8.215 1.00 0.00 H new ATOM 0 HG23 VAL A 13 19.946 20.644 8.726 1.00 0.00 H new ATOM 198 N ILE A 14 23.323 19.684 12.484 1.00 0.00 N ATOM 199 CA ILE A 14 24.226 19.976 13.591 1.00 0.00 C ATOM 200 C ILE A 14 25.672 20.058 13.113 1.00 0.00 C ATOM 201 O ILE A 14 26.482 20.789 13.682 1.00 0.00 O ATOM 202 CB ILE A 14 24.122 18.911 14.698 1.00 0.00 C ATOM 203 CG1 ILE A 14 24.992 19.302 15.895 1.00 0.00 C ATOM 204 CG2 ILE A 14 24.532 17.547 14.161 1.00 0.00 C ATOM 205 CD1 ILE A 14 24.576 20.603 16.544 1.00 0.00 C ATOM 0 H ILE A 14 23.439 18.755 12.079 1.00 0.00 H new ATOM 0 HA ILE A 14 23.925 20.941 13.998 1.00 0.00 H new ATOM 0 HB ILE A 14 23.085 18.853 15.030 1.00 0.00 H new ATOM 0 HG12 ILE A 14 24.953 18.506 16.638 1.00 0.00 H new ATOM 0 HG13 ILE A 14 26.029 19.383 15.569 1.00 0.00 H new ATOM 0 HG21 ILE A 14 24.453 16.805 14.955 1.00 0.00 H new ATOM 0 HG22 ILE A 14 23.875 17.268 13.337 1.00 0.00 H new ATOM 0 HG23 ILE A 14 25.562 17.590 13.806 1.00 0.00 H new ATOM 0 HD11 ILE A 14 25.236 20.818 17.385 1.00 0.00 H new ATOM 0 HD12 ILE A 14 24.642 21.411 15.815 1.00 0.00 H new ATOM 0 HD13 ILE A 14 23.549 20.520 16.901 1.00 0.00 H new ATOM 217 N GLU A 15 25.987 19.305 12.065 1.00 0.00 N ATOM 218 CA GLU A 15 27.336 19.294 11.511 1.00 0.00 C ATOM 219 C GLU A 15 27.304 19.487 9.997 1.00 0.00 C ATOM 220 O GLU A 15 26.365 19.062 9.326 1.00 0.00 O ATOM 221 CB GLU A 15 28.041 17.980 11.853 1.00 0.00 C ATOM 222 CG GLU A 15 29.006 18.094 13.022 1.00 0.00 C ATOM 223 CD GLU A 15 30.059 17.003 13.017 1.00 0.00 C ATOM 224 OE1 GLU A 15 31.047 17.135 12.265 1.00 0.00 O ATOM 225 OE2 GLU A 15 29.895 16.017 13.766 1.00 0.00 O ATOM 0 H GLU A 15 25.327 18.695 11.582 1.00 0.00 H new ATOM 0 HA GLU A 15 27.890 20.122 11.954 1.00 0.00 H new ATOM 0 HB2 GLU A 15 27.291 17.224 12.084 1.00 0.00 H new ATOM 0 HB3 GLU A 15 28.585 17.630 10.976 1.00 0.00 H new ATOM 0 HG2 GLU A 15 29.496 19.067 12.990 1.00 0.00 H new ATOM 0 HG3 GLU A 15 28.446 18.049 13.956 1.00 0.00 H new ATOM 232 N ASN A 16 28.338 20.132 9.467 1.00 0.00 N ATOM 233 CA ASN A 16 28.428 20.384 8.033 1.00 0.00 C ATOM 234 C ASN A 16 29.780 19.934 7.486 1.00 0.00 C ATOM 235 O ASN A 16 30.821 20.487 7.842 1.00 0.00 O ATOM 236 CB ASN A 16 28.217 21.870 7.741 1.00 0.00 C ATOM 237 CG ASN A 16 28.957 22.763 8.718 1.00 0.00 C ATOM 238 OD1 ASN A 16 30.119 23.107 8.503 1.00 0.00 O ATOM 239 ND2 ASN A 16 28.285 23.143 9.798 1.00 0.00 N ATOM 0 H ASN A 16 29.125 20.490 10.008 1.00 0.00 H new ATOM 0 HA ASN A 16 27.645 19.809 7.538 1.00 0.00 H new ATOM 0 HB2 ASN A 16 28.552 22.089 6.727 1.00 0.00 H new ATOM 0 HB3 ASN A 16 27.152 22.097 7.781 1.00 0.00 H new ATOM 0 HD21 ASN A 16 28.731 23.745 10.491 1.00 0.00 H new ATOM 0 HD22 ASN A 16 27.323 22.833 9.935 1.00 0.00 H new ATOM 246 N LEU A 17 29.756 18.927 6.619 1.00 0.00 N ATOM 247 CA LEU A 17 30.979 18.403 6.022 1.00 0.00 C ATOM 248 C LEU A 17 31.063 18.768 4.543 1.00 0.00 C ATOM 249 O LEU A 17 30.061 19.073 3.896 1.00 0.00 O ATOM 250 CB LEU A 17 31.039 16.883 6.188 1.00 0.00 C ATOM 251 CG LEU A 17 31.568 16.375 7.529 1.00 0.00 C ATOM 252 CD1 LEU A 17 31.420 14.864 7.624 1.00 0.00 C ATOM 253 CD2 LEU A 17 33.022 16.783 7.718 1.00 0.00 C ATOM 0 H LEU A 17 28.903 18.458 6.314 1.00 0.00 H new ATOM 0 HA LEU A 17 31.828 18.853 6.537 1.00 0.00 H new ATOM 0 HB2 LEU A 17 30.036 16.482 6.040 1.00 0.00 H new ATOM 0 HB3 LEU A 17 31.666 16.475 5.395 1.00 0.00 H new ATOM 0 HG LEU A 17 30.978 16.828 8.325 1.00 0.00 H new ATOM 0 HD11 LEU A 17 31.802 14.521 8.585 1.00 0.00 H new ATOM 0 HD12 LEU A 17 30.367 14.595 7.535 1.00 0.00 H new ATOM 0 HD13 LEU A 17 31.984 14.392 6.820 1.00 0.00 H new ATOM 0 HD21 LEU A 17 33.382 16.413 8.678 1.00 0.00 H new ATOM 0 HD22 LEU A 17 33.626 16.359 6.916 1.00 0.00 H new ATOM 0 HD23 LEU A 17 33.101 17.870 7.696 1.00 0.00 H new ATOM 265 N PRO A 18 32.286 18.735 3.994 1.00 0.00 N ATOM 266 CA PRO A 18 32.530 19.058 2.585 1.00 0.00 C ATOM 267 C PRO A 18 31.971 17.997 1.643 1.00 0.00 C ATOM 268 O PRO A 18 31.258 17.090 2.068 1.00 0.00 O ATOM 269 CB PRO A 18 34.057 19.106 2.491 1.00 0.00 C ATOM 270 CG PRO A 18 34.532 18.231 3.600 1.00 0.00 C ATOM 271 CD PRO A 18 33.525 18.381 4.706 1.00 0.00 C ATOM 0 HA PRO A 18 32.042 19.987 2.289 1.00 0.00 H new ATOM 0 HB2 PRO A 18 34.406 18.744 1.524 1.00 0.00 H new ATOM 0 HB3 PRO A 18 34.429 20.124 2.603 1.00 0.00 H new ATOM 0 HG2 PRO A 18 34.603 17.193 3.275 1.00 0.00 H new ATOM 0 HG3 PRO A 18 35.526 18.529 3.934 1.00 0.00 H new ATOM 0 HD2 PRO A 18 33.412 17.458 5.274 1.00 0.00 H new ATOM 0 HD3 PRO A 18 33.818 19.157 5.413 1.00 0.00 H new ATOM 279 N ASN A 19 32.301 18.118 0.361 1.00 0.00 N ATOM 280 CA ASN A 19 31.832 17.169 -0.642 1.00 0.00 C ATOM 281 C ASN A 19 30.311 17.210 -0.760 1.00 0.00 C ATOM 282 O ASN A 19 29.687 16.248 -1.209 1.00 0.00 O ATOM 283 CB ASN A 19 32.289 15.752 -0.287 1.00 0.00 C ATOM 284 CG ASN A 19 33.684 15.727 0.308 1.00 0.00 C ATOM 285 OD1 ASN A 19 33.858 15.473 1.500 1.00 0.00 O ATOM 286 ND2 ASN A 19 34.686 15.991 -0.522 1.00 0.00 N ATOM 0 H ASN A 19 32.891 18.864 -0.007 1.00 0.00 H new ATOM 0 HA ASN A 19 32.261 17.452 -1.603 1.00 0.00 H new ATOM 0 HB2 ASN A 19 31.587 15.313 0.422 1.00 0.00 H new ATOM 0 HB3 ASN A 19 32.268 15.131 -1.183 1.00 0.00 H new ATOM 0 HD21 ASN A 19 35.647 15.989 -0.179 1.00 0.00 H new ATOM 0 HD22 ASN A 19 34.495 16.196 -1.503 1.00 0.00 H new ATOM 293 N ALA A 20 29.722 18.330 -0.356 1.00 0.00 N ATOM 294 CA ALA A 20 28.275 18.498 -0.418 1.00 0.00 C ATOM 295 C ALA A 20 27.566 17.493 0.484 1.00 0.00 C ATOM 296 O ALA A 20 26.770 16.677 0.018 1.00 0.00 O ATOM 297 CB ALA A 20 27.790 18.356 -1.853 1.00 0.00 C ATOM 0 H ALA A 20 30.224 19.135 0.018 1.00 0.00 H new ATOM 0 HA ALA A 20 28.034 19.499 -0.061 1.00 0.00 H new ATOM 0 HB1 ALA A 20 26.708 18.484 -1.886 1.00 0.00 H new ATOM 0 HB2 ALA A 20 28.264 19.116 -2.474 1.00 0.00 H new ATOM 0 HB3 ALA A 20 28.050 17.366 -2.229 1.00 0.00 H new ATOM 303 N THR A 21 27.861 17.557 1.779 1.00 0.00 N ATOM 304 CA THR A 21 27.253 16.652 2.746 1.00 0.00 C ATOM 305 C THR A 21 26.941 17.373 4.052 1.00 0.00 C ATOM 306 O THR A 21 27.491 18.437 4.333 1.00 0.00 O ATOM 307 CB THR A 21 28.169 15.449 3.043 1.00 0.00 C ATOM 308 OG1 THR A 21 29.414 15.904 3.585 1.00 0.00 O ATOM 309 CG2 THR A 21 28.425 14.640 1.780 1.00 0.00 C ATOM 0 H THR A 21 28.517 18.226 2.182 1.00 0.00 H new ATOM 0 HA THR A 21 26.325 16.292 2.302 1.00 0.00 H new ATOM 0 HB THR A 21 27.669 14.809 3.770 1.00 0.00 H new ATOM 0 HG1 THR A 21 30.003 16.191 2.856 1.00 0.00 H new ATOM 0 HG21 THR A 21 29.074 13.796 2.014 1.00 0.00 H new ATOM 0 HG22 THR A 21 27.478 14.271 1.386 1.00 0.00 H new ATOM 0 HG23 THR A 21 28.907 15.272 1.034 1.00 0.00 H new ATOM 317 N PHE A 22 26.054 16.785 4.849 1.00 0.00 N ATOM 318 CA PHE A 22 25.668 17.372 6.127 1.00 0.00 C ATOM 319 C PHE A 22 25.184 16.297 7.096 1.00 0.00 C ATOM 320 O PHE A 22 24.724 15.234 6.679 1.00 0.00 O ATOM 321 CB PHE A 22 24.572 18.419 5.921 1.00 0.00 C ATOM 322 CG PHE A 22 25.059 19.674 5.255 1.00 0.00 C ATOM 323 CD1 PHE A 22 25.593 20.710 6.005 1.00 0.00 C ATOM 324 CD2 PHE A 22 24.983 19.818 3.879 1.00 0.00 C ATOM 325 CE1 PHE A 22 26.042 21.866 5.394 1.00 0.00 C ATOM 326 CE2 PHE A 22 25.430 20.972 3.263 1.00 0.00 C ATOM 327 CZ PHE A 22 25.961 21.996 4.021 1.00 0.00 C ATOM 0 H PHE A 22 25.590 15.903 4.632 1.00 0.00 H new ATOM 0 HA PHE A 22 26.546 17.854 6.556 1.00 0.00 H new ATOM 0 HB2 PHE A 22 23.774 17.984 5.319 1.00 0.00 H new ATOM 0 HB3 PHE A 22 24.139 18.675 6.888 1.00 0.00 H new ATOM 0 HD1 PHE A 22 25.659 20.613 7.079 1.00 0.00 H new ATOM 0 HD2 PHE A 22 24.570 19.019 3.281 1.00 0.00 H new ATOM 0 HE1 PHE A 22 26.456 22.667 5.989 1.00 0.00 H new ATOM 0 HE2 PHE A 22 25.364 21.072 2.190 1.00 0.00 H new ATOM 0 HZ PHE A 22 26.313 22.898 3.541 1.00 0.00 H new ATOM 337 N ARG A 23 25.293 16.581 8.389 1.00 0.00 N ATOM 338 CA ARG A 23 24.869 15.639 9.417 1.00 0.00 C ATOM 339 C ARG A 23 23.710 16.207 10.231 1.00 0.00 C ATOM 340 O ARG A 23 23.889 17.137 11.019 1.00 0.00 O ATOM 341 CB ARG A 23 26.039 15.300 10.343 1.00 0.00 C ATOM 342 CG ARG A 23 26.963 14.227 9.789 1.00 0.00 C ATOM 343 CD ARG A 23 27.524 13.350 10.897 1.00 0.00 C ATOM 344 NE ARG A 23 26.966 12.000 10.862 1.00 0.00 N ATOM 345 CZ ARG A 23 27.545 10.951 11.434 1.00 0.00 C ATOM 346 NH1 ARG A 23 28.693 11.094 12.082 1.00 0.00 N ATOM 347 NH2 ARG A 23 26.976 9.754 11.358 1.00 0.00 N ATOM 0 H ARG A 23 25.672 17.457 8.750 1.00 0.00 H new ATOM 0 HA ARG A 23 24.531 14.729 8.922 1.00 0.00 H new ATOM 0 HB2 ARG A 23 26.618 16.205 10.530 1.00 0.00 H new ATOM 0 HB3 ARG A 23 25.646 14.969 11.304 1.00 0.00 H new ATOM 0 HG2 ARG A 23 26.418 13.609 9.075 1.00 0.00 H new ATOM 0 HG3 ARG A 23 27.782 14.696 9.245 1.00 0.00 H new ATOM 0 HD2 ARG A 23 28.609 13.297 10.803 1.00 0.00 H new ATOM 0 HD3 ARG A 23 27.310 13.806 11.864 1.00 0.00 H new ATOM 0 HE ARG A 23 26.083 11.856 10.371 1.00 0.00 H new ATOM 0 HH11 ARG A 23 29.134 12.012 12.142 1.00 0.00 H new ATOM 0 HH12 ARG A 23 29.135 10.286 12.520 1.00 0.00 H new ATOM 0 HH21 ARG A 23 26.093 9.640 10.860 1.00 0.00 H new ATOM 0 HH22 ARG A 23 27.422 8.949 11.798 1.00 0.00 H new ATOM 361 N VAL A 24 22.523 15.643 10.035 1.00 0.00 N ATOM 362 CA VAL A 24 21.335 16.093 10.751 1.00 0.00 C ATOM 363 C VAL A 24 20.964 15.121 11.866 1.00 0.00 C ATOM 364 O VAL A 24 21.169 13.913 11.745 1.00 0.00 O ATOM 365 CB VAL A 24 20.133 16.251 9.801 1.00 0.00 C ATOM 366 CG1 VAL A 24 20.427 17.297 8.737 1.00 0.00 C ATOM 367 CG2 VAL A 24 19.780 14.915 9.164 1.00 0.00 C ATOM 0 H VAL A 24 22.358 14.873 9.386 1.00 0.00 H new ATOM 0 HA VAL A 24 21.576 17.064 11.185 1.00 0.00 H new ATOM 0 HB VAL A 24 19.275 16.590 10.381 1.00 0.00 H new ATOM 0 HG11 VAL A 24 19.566 17.395 8.075 1.00 0.00 H new ATOM 0 HG12 VAL A 24 20.628 18.256 9.215 1.00 0.00 H new ATOM 0 HG13 VAL A 24 21.298 16.991 8.157 1.00 0.00 H new ATOM 0 HG21 VAL A 24 18.929 15.044 8.496 1.00 0.00 H new ATOM 0 HG22 VAL A 24 20.634 14.546 8.596 1.00 0.00 H new ATOM 0 HG23 VAL A 24 19.524 14.197 9.943 1.00 0.00 H new ATOM 377 N LYS A 25 20.416 15.656 12.952 1.00 0.00 N ATOM 378 CA LYS A 25 20.014 14.837 14.089 1.00 0.00 C ATOM 379 C LYS A 25 18.510 14.582 14.070 1.00 0.00 C ATOM 380 O LYS A 25 17.714 15.513 13.942 1.00 0.00 O ATOM 381 CB LYS A 25 20.411 15.518 15.400 1.00 0.00 C ATOM 382 CG LYS A 25 21.795 16.141 15.367 1.00 0.00 C ATOM 383 CD LYS A 25 22.492 16.024 16.713 1.00 0.00 C ATOM 384 CE LYS A 25 21.722 16.753 17.804 1.00 0.00 C ATOM 385 NZ LYS A 25 22.535 16.919 19.040 1.00 0.00 N ATOM 0 H LYS A 25 20.240 16.654 13.068 1.00 0.00 H new ATOM 0 HA LYS A 25 20.528 13.879 14.015 1.00 0.00 H new ATOM 0 HB2 LYS A 25 19.679 16.291 15.634 1.00 0.00 H new ATOM 0 HB3 LYS A 25 20.370 14.786 16.207 1.00 0.00 H new ATOM 0 HG2 LYS A 25 22.397 15.652 14.601 1.00 0.00 H new ATOM 0 HG3 LYS A 25 21.715 17.192 15.088 1.00 0.00 H new ATOM 0 HD2 LYS A 25 22.596 14.972 16.980 1.00 0.00 H new ATOM 0 HD3 LYS A 25 23.499 16.435 16.640 1.00 0.00 H new ATOM 0 HE2 LYS A 25 21.413 17.732 17.438 1.00 0.00 H new ATOM 0 HE3 LYS A 25 20.813 16.199 18.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 21.975 17.420 19.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 22.809 15.984 19.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 23.390 17.469 18.822 1.00 0.00 H new ATOM 399 N LEU A 26 18.128 13.316 14.201 1.00 0.00 N ATOM 400 CA LEU A 26 16.718 12.939 14.201 1.00 0.00 C ATOM 401 C LEU A 26 16.070 13.256 15.545 1.00 0.00 C ATOM 402 O LEU A 26 16.465 14.201 16.227 1.00 0.00 O ATOM 403 CB LEU A 26 16.569 11.449 13.889 1.00 0.00 C ATOM 404 CG LEU A 26 17.494 10.895 12.805 1.00 0.00 C ATOM 405 CD1 LEU A 26 17.248 9.408 12.603 1.00 0.00 C ATOM 406 CD2 LEU A 26 17.300 11.652 11.499 1.00 0.00 C ATOM 0 H LEU A 26 18.774 12.534 14.308 1.00 0.00 H new ATOM 0 HA LEU A 26 16.212 13.518 13.429 1.00 0.00 H new ATOM 0 HB2 LEU A 26 16.741 10.887 14.807 1.00 0.00 H new ATOM 0 HB3 LEU A 26 15.538 11.262 13.589 1.00 0.00 H new ATOM 0 HG LEU A 26 18.525 11.031 13.130 1.00 0.00 H new ATOM 0 HD11 LEU A 26 17.915 9.031 11.828 1.00 0.00 H new ATOM 0 HD12 LEU A 26 17.439 8.878 13.536 1.00 0.00 H new ATOM 0 HD13 LEU A 26 16.213 9.248 12.300 1.00 0.00 H new ATOM 0 HD21 LEU A 26 17.967 11.244 10.739 1.00 0.00 H new ATOM 0 HD22 LEU A 26 16.267 11.548 11.168 1.00 0.00 H new ATOM 0 HD23 LEU A 26 17.528 12.707 11.653 1.00 0.00 H new ATOM 418 N GLU A 27 15.075 12.458 15.919 1.00 0.00 N ATOM 419 CA GLU A 27 14.374 12.653 17.183 1.00 0.00 C ATOM 420 C GLU A 27 15.013 11.825 18.294 1.00 0.00 C ATOM 421 O GLU A 27 15.115 12.273 19.435 1.00 0.00 O ATOM 422 CB GLU A 27 12.898 12.277 17.036 1.00 0.00 C ATOM 423 CG GLU A 27 12.675 10.820 16.666 1.00 0.00 C ATOM 424 CD GLU A 27 11.217 10.501 16.402 1.00 0.00 C ATOM 425 OE1 GLU A 27 10.400 11.445 16.366 1.00 0.00 O ATOM 426 OE2 GLU A 27 10.892 9.307 16.231 1.00 0.00 O ATOM 0 H GLU A 27 14.736 11.671 15.365 1.00 0.00 H new ATOM 0 HA GLU A 27 14.448 13.707 17.451 1.00 0.00 H new ATOM 0 HB2 GLU A 27 12.383 12.488 17.973 1.00 0.00 H new ATOM 0 HB3 GLU A 27 12.445 12.910 16.273 1.00 0.00 H new ATOM 0 HG2 GLU A 27 13.262 10.581 15.779 1.00 0.00 H new ATOM 0 HG3 GLU A 27 13.042 10.184 17.472 1.00 0.00 H new ATOM 433 N ASN A 28 15.442 10.615 17.950 1.00 0.00 N ATOM 434 CA ASN A 28 16.070 9.723 18.918 1.00 0.00 C ATOM 435 C ASN A 28 17.418 10.275 19.370 1.00 0.00 C ATOM 436 O ASN A 28 17.966 9.849 20.386 1.00 0.00 O ATOM 437 CB ASN A 28 16.253 8.329 18.314 1.00 0.00 C ATOM 438 CG ASN A 28 14.957 7.544 18.268 1.00 0.00 C ATOM 439 OD1 ASN A 28 14.062 7.754 19.087 1.00 0.00 O ATOM 440 ND2 ASN A 28 14.850 6.634 17.307 1.00 0.00 N ATOM 0 H ASN A 28 15.366 10.230 17.009 1.00 0.00 H new ATOM 0 HA ASN A 28 15.416 9.652 19.787 1.00 0.00 H new ATOM 0 HB2 ASN A 28 16.653 8.423 17.305 1.00 0.00 H new ATOM 0 HB3 ASN A 28 16.989 7.777 18.899 1.00 0.00 H new ATOM 0 HD21 ASN A 28 14.000 6.075 17.226 1.00 0.00 H new ATOM 0 HD22 ASN A 28 15.617 6.494 16.650 1.00 0.00 H new ATOM 447 N GLY A 29 17.949 11.227 18.608 1.00 0.00 N ATOM 448 CA GLY A 29 19.228 11.822 18.946 1.00 0.00 C ATOM 449 C GLY A 29 20.336 11.387 18.008 1.00 0.00 C ATOM 450 O GLY A 29 21.403 12.002 17.968 1.00 0.00 O ATOM 0 H GLY A 29 17.515 11.597 17.762 1.00 0.00 H new ATOM 0 HA2 GLY A 29 19.139 12.908 18.919 1.00 0.00 H new ATOM 0 HA3 GLY A 29 19.493 11.550 19.968 1.00 0.00 H new ATOM 454 N HIS A 30 20.086 10.322 17.253 1.00 0.00 N ATOM 455 CA HIS A 30 21.072 9.804 16.311 1.00 0.00 C ATOM 456 C HIS A 30 21.261 10.763 15.140 1.00 0.00 C ATOM 457 O HIS A 30 20.294 11.311 14.611 1.00 0.00 O ATOM 458 CB HIS A 30 20.644 8.429 15.796 1.00 0.00 C ATOM 459 CG HIS A 30 20.191 7.499 16.879 1.00 0.00 C ATOM 460 ND1 HIS A 30 19.235 6.525 16.682 1.00 0.00 N ATOM 461 CD2 HIS A 30 20.570 7.396 18.174 1.00 0.00 C ATOM 462 CE1 HIS A 30 19.044 5.864 17.811 1.00 0.00 C ATOM 463 NE2 HIS A 30 19.842 6.373 18.732 1.00 0.00 N ATOM 0 H HIS A 30 19.209 9.801 17.275 1.00 0.00 H new ATOM 0 HA HIS A 30 22.023 9.707 16.835 1.00 0.00 H new ATOM 0 HB2 HIS A 30 19.836 8.555 15.075 1.00 0.00 H new ATOM 0 HB3 HIS A 30 21.479 7.974 15.263 1.00 0.00 H new ATOM 0 HD2 HIS A 30 21.308 8.005 18.676 1.00 0.00 H new ATOM 0 HE1 HIS A 30 18.353 5.047 17.955 1.00 0.00 H new ATOM 0 HE2 HIS A 30 19.907 6.058 19.700 1.00 0.00 H new ATOM 471 N VAL A 31 22.513 10.961 14.740 1.00 0.00 N ATOM 472 CA VAL A 31 22.829 11.854 13.631 1.00 0.00 C ATOM 473 C VAL A 31 23.077 11.069 12.347 1.00 0.00 C ATOM 474 O VAL A 31 23.825 10.091 12.339 1.00 0.00 O ATOM 475 CB VAL A 31 24.067 12.716 13.940 1.00 0.00 C ATOM 476 CG1 VAL A 31 23.835 13.558 15.185 1.00 0.00 C ATOM 477 CG2 VAL A 31 25.300 11.840 14.101 1.00 0.00 C ATOM 0 H VAL A 31 23.325 10.515 15.167 1.00 0.00 H new ATOM 0 HA VAL A 31 21.967 12.506 13.494 1.00 0.00 H new ATOM 0 HB VAL A 31 24.236 13.391 13.101 1.00 0.00 H new ATOM 0 HG11 VAL A 31 24.721 14.160 15.387 1.00 0.00 H new ATOM 0 HG12 VAL A 31 22.979 14.214 15.026 1.00 0.00 H new ATOM 0 HG13 VAL A 31 23.639 12.904 16.035 1.00 0.00 H new ATOM 0 HG21 VAL A 31 26.165 12.466 14.319 1.00 0.00 H new ATOM 0 HG22 VAL A 31 25.144 11.139 14.921 1.00 0.00 H new ATOM 0 HG23 VAL A 31 25.476 11.286 13.179 1.00 0.00 H new ATOM 487 N VAL A 32 22.444 11.505 11.262 1.00 0.00 N ATOM 488 CA VAL A 32 22.597 10.844 9.971 1.00 0.00 C ATOM 489 C VAL A 32 23.381 11.717 8.997 1.00 0.00 C ATOM 490 O VAL A 32 23.152 12.924 8.905 1.00 0.00 O ATOM 491 CB VAL A 32 21.230 10.502 9.351 1.00 0.00 C ATOM 492 CG1 VAL A 32 20.396 9.677 10.319 1.00 0.00 C ATOM 493 CG2 VAL A 32 20.494 11.771 8.949 1.00 0.00 C ATOM 0 H VAL A 32 21.821 12.312 11.251 1.00 0.00 H new ATOM 0 HA VAL A 32 23.147 9.920 10.151 1.00 0.00 H new ATOM 0 HB VAL A 32 21.397 9.907 8.453 1.00 0.00 H new ATOM 0 HG11 VAL A 32 19.433 9.445 9.863 1.00 0.00 H new ATOM 0 HG12 VAL A 32 20.920 8.750 10.552 1.00 0.00 H new ATOM 0 HG13 VAL A 32 20.236 10.244 11.236 1.00 0.00 H new ATOM 0 HG21 VAL A 32 19.530 11.510 8.513 1.00 0.00 H new ATOM 0 HG22 VAL A 32 20.337 12.395 9.829 1.00 0.00 H new ATOM 0 HG23 VAL A 32 21.087 12.319 8.217 1.00 0.00 H new ATOM 503 N LEU A 33 24.306 11.099 8.271 1.00 0.00 N ATOM 504 CA LEU A 33 25.125 11.819 7.302 1.00 0.00 C ATOM 505 C LEU A 33 24.664 11.529 5.877 1.00 0.00 C ATOM 506 O LEU A 33 24.409 10.380 5.519 1.00 0.00 O ATOM 507 CB LEU A 33 26.597 11.435 7.463 1.00 0.00 C ATOM 508 CG LEU A 33 27.550 11.968 6.392 1.00 0.00 C ATOM 509 CD1 LEU A 33 27.654 13.483 6.476 1.00 0.00 C ATOM 510 CD2 LEU A 33 28.923 11.328 6.536 1.00 0.00 C ATOM 0 H LEU A 33 24.508 10.101 8.335 1.00 0.00 H new ATOM 0 HA LEU A 33 25.012 12.887 7.490 1.00 0.00 H new ATOM 0 HB2 LEU A 33 26.940 11.789 8.435 1.00 0.00 H new ATOM 0 HB3 LEU A 33 26.669 10.347 7.476 1.00 0.00 H new ATOM 0 HG LEU A 33 27.150 11.706 5.413 1.00 0.00 H new ATOM 0 HD11 LEU A 33 28.336 13.844 5.706 1.00 0.00 H new ATOM 0 HD12 LEU A 33 26.669 13.924 6.324 1.00 0.00 H new ATOM 0 HD13 LEU A 33 28.031 13.768 7.458 1.00 0.00 H new ATOM 0 HD21 LEU A 33 29.589 11.718 5.766 1.00 0.00 H new ATOM 0 HD22 LEU A 33 29.331 11.559 7.520 1.00 0.00 H new ATOM 0 HD23 LEU A 33 28.834 10.247 6.425 1.00 0.00 H new ATOM 522 N GLY A 34 24.562 12.579 5.068 1.00 0.00 N ATOM 523 CA GLY A 34 24.135 12.415 3.691 1.00 0.00 C ATOM 524 C GLY A 34 24.560 13.572 2.810 1.00 0.00 C ATOM 525 O GLY A 34 25.285 14.464 3.251 1.00 0.00 O ATOM 0 H GLY A 34 24.767 13.540 5.342 1.00 0.00 H new ATOM 0 HA2 GLY A 34 24.549 11.489 3.293 1.00 0.00 H new ATOM 0 HA3 GLY A 34 23.050 12.318 3.660 1.00 0.00 H new ATOM 529 N HIS A 35 24.110 13.559 1.559 1.00 0.00 N ATOM 530 CA HIS A 35 24.450 14.615 0.613 1.00 0.00 C ATOM 531 C HIS A 35 23.191 15.231 0.010 1.00 0.00 C ATOM 532 O HIS A 35 22.187 14.546 -0.186 1.00 0.00 O ATOM 533 CB HIS A 35 25.345 14.066 -0.499 1.00 0.00 C ATOM 534 CG HIS A 35 24.652 13.086 -1.396 1.00 0.00 C ATOM 535 ND1 HIS A 35 24.802 11.721 -1.277 1.00 0.00 N ATOM 536 CD2 HIS A 35 23.801 13.281 -2.429 1.00 0.00 C ATOM 537 CE1 HIS A 35 24.074 11.118 -2.199 1.00 0.00 C ATOM 538 NE2 HIS A 35 23.456 12.043 -2.912 1.00 0.00 N ATOM 0 H HIS A 35 23.509 12.829 1.177 1.00 0.00 H new ATOM 0 HA HIS A 35 24.991 15.392 1.154 1.00 0.00 H new ATOM 0 HB2 HIS A 35 25.716 14.897 -1.099 1.00 0.00 H new ATOM 0 HB3 HIS A 35 26.214 13.584 -0.051 1.00 0.00 H new ATOM 0 HD2 HIS A 35 23.457 14.233 -2.804 1.00 0.00 H new ATOM 0 HE1 HIS A 35 23.997 10.051 -2.345 1.00 0.00 H new ATOM 0 HE2 HIS A 35 22.825 11.866 -3.694 1.00 0.00 H new ATOM 546 N ILE A 36 23.251 16.526 -0.279 1.00 0.00 N ATOM 547 CA ILE A 36 22.116 17.233 -0.859 1.00 0.00 C ATOM 548 C ILE A 36 22.270 17.376 -2.369 1.00 0.00 C ATOM 549 O ILE A 36 23.335 17.749 -2.862 1.00 0.00 O ATOM 550 CB ILE A 36 21.946 18.632 -0.237 1.00 0.00 C ATOM 551 CG1 ILE A 36 20.787 19.374 -0.906 1.00 0.00 C ATOM 552 CG2 ILE A 36 23.236 19.428 -0.364 1.00 0.00 C ATOM 553 CD1 ILE A 36 19.457 18.668 -0.767 1.00 0.00 C ATOM 0 H ILE A 36 24.074 17.108 -0.121 1.00 0.00 H new ATOM 0 HA ILE A 36 21.229 16.637 -0.641 1.00 0.00 H new ATOM 0 HB ILE A 36 21.716 18.517 0.822 1.00 0.00 H new ATOM 0 HG12 ILE A 36 20.707 20.371 -0.473 1.00 0.00 H new ATOM 0 HG13 ILE A 36 21.012 19.503 -1.965 1.00 0.00 H new ATOM 0 HG21 ILE A 36 23.100 20.414 0.080 1.00 0.00 H new ATOM 0 HG22 ILE A 36 24.039 18.904 0.154 1.00 0.00 H new ATOM 0 HG23 ILE A 36 23.494 19.537 -1.417 1.00 0.00 H new ATOM 0 HD11 ILE A 36 18.682 19.251 -1.265 1.00 0.00 H new ATOM 0 HD12 ILE A 36 19.519 17.681 -1.225 1.00 0.00 H new ATOM 0 HD13 ILE A 36 19.210 18.563 0.289 1.00 0.00 H new ATOM 565 N SER A 37 21.200 17.079 -3.099 1.00 0.00 N ATOM 566 CA SER A 37 21.216 17.172 -4.554 1.00 0.00 C ATOM 567 C SER A 37 19.820 17.459 -5.096 1.00 0.00 C ATOM 568 O SER A 37 18.825 17.322 -4.385 1.00 0.00 O ATOM 569 CB SER A 37 21.755 15.876 -5.163 1.00 0.00 C ATOM 570 OG SER A 37 22.269 16.099 -6.464 1.00 0.00 O ATOM 0 H SER A 37 20.310 16.772 -2.706 1.00 0.00 H new ATOM 0 HA SER A 37 21.872 17.997 -4.833 1.00 0.00 H new ATOM 0 HB2 SER A 37 22.538 15.469 -4.524 1.00 0.00 H new ATOM 0 HB3 SER A 37 20.959 15.132 -5.206 1.00 0.00 H new ATOM 0 HG SER A 37 22.609 15.256 -6.830 1.00 0.00 H new ATOM 576 N GLY A 38 19.754 17.860 -6.362 1.00 0.00 N ATOM 577 CA GLY A 38 18.475 18.162 -6.979 1.00 0.00 C ATOM 578 C GLY A 38 18.488 19.481 -7.726 1.00 0.00 C ATOM 579 O GLY A 38 19.552 20.038 -7.999 1.00 0.00 O ATOM 0 H GLY A 38 20.563 17.981 -6.971 1.00 0.00 H new ATOM 0 HA2 GLY A 38 18.209 17.360 -7.668 1.00 0.00 H new ATOM 0 HA3 GLY A 38 17.702 18.191 -6.211 1.00 0.00 H new ATOM 583 N LYS A 39 17.304 19.982 -8.058 1.00 0.00 N ATOM 584 CA LYS A 39 17.182 21.244 -8.779 1.00 0.00 C ATOM 585 C LYS A 39 17.333 22.429 -7.830 1.00 0.00 C ATOM 586 O LYS A 39 17.715 23.523 -8.245 1.00 0.00 O ATOM 587 CB LYS A 39 15.831 21.319 -9.493 1.00 0.00 C ATOM 588 CG LYS A 39 15.700 22.510 -10.426 1.00 0.00 C ATOM 589 CD LYS A 39 14.249 22.921 -10.607 1.00 0.00 C ATOM 590 CE LYS A 39 13.444 21.833 -11.302 1.00 0.00 C ATOM 591 NZ LYS A 39 12.225 22.379 -11.959 1.00 0.00 N ATOM 0 H LYS A 39 16.414 19.534 -7.839 1.00 0.00 H new ATOM 0 HA LYS A 39 17.980 21.289 -9.520 1.00 0.00 H new ATOM 0 HB2 LYS A 39 15.680 20.403 -10.064 1.00 0.00 H new ATOM 0 HB3 LYS A 39 15.038 21.364 -8.747 1.00 0.00 H new ATOM 0 HG2 LYS A 39 16.270 23.350 -10.028 1.00 0.00 H new ATOM 0 HG3 LYS A 39 16.132 22.263 -11.396 1.00 0.00 H new ATOM 0 HD2 LYS A 39 13.807 23.137 -9.634 1.00 0.00 H new ATOM 0 HD3 LYS A 39 14.200 23.840 -11.191 1.00 0.00 H new ATOM 0 HE2 LYS A 39 14.068 21.340 -12.047 1.00 0.00 H new ATOM 0 HE3 LYS A 39 13.156 21.074 -10.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 11.704 21.606 -12.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 11.617 22.828 -11.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 12.501 23.085 -12.671 1.00 0.00 H new ATOM 605 N MET A 40 17.032 22.203 -6.555 1.00 0.00 N ATOM 606 CA MET A 40 17.137 23.252 -5.548 1.00 0.00 C ATOM 607 C MET A 40 18.565 23.358 -5.021 1.00 0.00 C ATOM 608 O MET A 40 18.954 24.382 -4.459 1.00 0.00 O ATOM 609 CB MET A 40 16.173 22.977 -4.392 1.00 0.00 C ATOM 610 CG MET A 40 15.689 24.237 -3.693 1.00 0.00 C ATOM 611 SD MET A 40 14.205 24.926 -4.452 1.00 0.00 S ATOM 612 CE MET A 40 13.111 25.015 -3.037 1.00 0.00 C ATOM 0 H MET A 40 16.714 21.303 -6.195 1.00 0.00 H new ATOM 0 HA MET A 40 16.870 24.199 -6.016 1.00 0.00 H new ATOM 0 HB2 MET A 40 15.311 22.428 -4.771 1.00 0.00 H new ATOM 0 HB3 MET A 40 16.666 22.334 -3.663 1.00 0.00 H new ATOM 0 HG2 MET A 40 15.486 24.012 -2.646 1.00 0.00 H new ATOM 0 HG3 MET A 40 16.482 24.985 -3.710 1.00 0.00 H new ATOM 0 HE1 MET A 40 12.149 25.423 -3.346 1.00 0.00 H new ATOM 0 HE2 MET A 40 12.966 24.016 -2.626 1.00 0.00 H new ATOM 0 HE3 MET A 40 13.551 25.660 -2.277 1.00 0.00 H new ATOM 622 N ARG A 41 19.339 22.294 -5.205 1.00 0.00 N ATOM 623 CA ARG A 41 20.723 22.268 -4.746 1.00 0.00 C ATOM 624 C ARG A 41 21.635 22.996 -5.728 1.00 0.00 C ATOM 625 O ARG A 41 22.760 23.363 -5.390 1.00 0.00 O ATOM 626 CB ARG A 41 21.197 20.824 -4.569 1.00 0.00 C ATOM 627 CG ARG A 41 22.673 20.704 -4.230 1.00 0.00 C ATOM 628 CD ARG A 41 23.026 21.503 -2.985 1.00 0.00 C ATOM 629 NE ARG A 41 24.443 21.396 -2.649 1.00 0.00 N ATOM 630 CZ ARG A 41 25.075 22.249 -1.850 1.00 0.00 C ATOM 631 NH1 ARG A 41 24.419 23.265 -1.308 1.00 0.00 N ATOM 632 NH2 ARG A 41 26.367 22.085 -1.592 1.00 0.00 N ATOM 0 H ARG A 41 19.032 21.439 -5.668 1.00 0.00 H new ATOM 0 HA ARG A 41 20.770 22.780 -3.785 1.00 0.00 H new ATOM 0 HB2 ARG A 41 20.612 20.353 -3.779 1.00 0.00 H new ATOM 0 HB3 ARG A 41 20.998 20.270 -5.486 1.00 0.00 H new ATOM 0 HG2 ARG A 41 22.928 19.656 -4.075 1.00 0.00 H new ATOM 0 HG3 ARG A 41 23.270 21.056 -5.071 1.00 0.00 H new ATOM 0 HD2 ARG A 41 22.769 22.551 -3.142 1.00 0.00 H new ATOM 0 HD3 ARG A 41 22.427 21.150 -2.146 1.00 0.00 H new ATOM 0 HE ARG A 41 24.977 20.624 -3.049 1.00 0.00 H new ATOM 0 HH11 ARG A 41 23.426 23.394 -1.504 1.00 0.00 H new ATOM 0 HH12 ARG A 41 24.907 23.918 -0.695 1.00 0.00 H new ATOM 0 HH21 ARG A 41 26.875 21.304 -2.007 1.00 0.00 H new ATOM 0 HH22 ARG A 41 26.852 22.740 -0.979 1.00 0.00 H new ATOM 646 N MET A 42 21.142 23.202 -6.945 1.00 0.00 N ATOM 647 CA MET A 42 21.913 23.888 -7.976 1.00 0.00 C ATOM 648 C MET A 42 21.863 25.399 -7.777 1.00 0.00 C ATOM 649 O MET A 42 22.718 26.130 -8.278 1.00 0.00 O ATOM 650 CB MET A 42 21.383 23.526 -9.364 1.00 0.00 C ATOM 651 CG MET A 42 21.582 22.064 -9.729 1.00 0.00 C ATOM 652 SD MET A 42 23.263 21.707 -10.275 1.00 0.00 S ATOM 653 CE MET A 42 23.002 20.203 -11.212 1.00 0.00 C ATOM 0 H MET A 42 20.213 22.904 -7.241 1.00 0.00 H new ATOM 0 HA MET A 42 22.950 23.564 -7.896 1.00 0.00 H new ATOM 0 HB2 MET A 42 20.320 23.762 -9.411 1.00 0.00 H new ATOM 0 HB3 MET A 42 21.881 24.148 -10.108 1.00 0.00 H new ATOM 0 HG2 MET A 42 21.345 21.442 -8.866 1.00 0.00 H new ATOM 0 HG3 MET A 42 20.882 21.792 -10.519 1.00 0.00 H new ATOM 0 HE1 MET A 42 23.953 19.856 -11.616 1.00 0.00 H new ATOM 0 HE2 MET A 42 22.583 19.436 -10.560 1.00 0.00 H new ATOM 0 HE3 MET A 42 22.310 20.400 -12.031 1.00 0.00 H new ATOM 663 N HIS A 43 20.856 25.862 -7.043 1.00 0.00 N ATOM 664 CA HIS A 43 20.695 27.287 -6.778 1.00 0.00 C ATOM 665 C HIS A 43 21.533 27.715 -5.577 1.00 0.00 C ATOM 666 O HIS A 43 21.622 28.901 -5.260 1.00 0.00 O ATOM 667 CB HIS A 43 19.223 27.619 -6.531 1.00 0.00 C ATOM 668 CG HIS A 43 18.927 29.087 -6.556 1.00 0.00 C ATOM 669 ND1 HIS A 43 19.329 29.918 -7.581 1.00 0.00 N ATOM 670 CD2 HIS A 43 18.263 29.871 -5.676 1.00 0.00 C ATOM 671 CE1 HIS A 43 18.926 31.151 -7.328 1.00 0.00 C ATOM 672 NE2 HIS A 43 18.276 31.149 -6.178 1.00 0.00 N ATOM 0 H HIS A 43 20.139 25.271 -6.621 1.00 0.00 H new ATOM 0 HA HIS A 43 21.041 27.835 -7.654 1.00 0.00 H new ATOM 0 HB2 HIS A 43 18.615 27.121 -7.287 1.00 0.00 H new ATOM 0 HB3 HIS A 43 18.925 27.213 -5.564 1.00 0.00 H new ATOM 0 HD2 HIS A 43 17.807 29.551 -4.751 1.00 0.00 H new ATOM 0 HE1 HIS A 43 19.099 32.013 -7.955 1.00 0.00 H new ATOM 0 HE2 HIS A 43 17.853 31.964 -5.735 1.00 0.00 H new ATOM 680 N TYR A 44 22.146 26.741 -4.913 1.00 0.00 N ATOM 681 CA TYR A 44 22.974 27.016 -3.745 1.00 0.00 C ATOM 682 C TYR A 44 22.141 27.615 -2.615 1.00 0.00 C ATOM 683 O TYR A 44 22.339 28.767 -2.227 1.00 0.00 O ATOM 684 CB TYR A 44 24.113 27.968 -4.114 1.00 0.00 C ATOM 685 CG TYR A 44 24.819 27.598 -5.398 1.00 0.00 C ATOM 686 CD1 TYR A 44 25.643 26.482 -5.464 1.00 0.00 C ATOM 687 CD2 TYR A 44 24.662 28.365 -6.546 1.00 0.00 C ATOM 688 CE1 TYR A 44 26.291 26.140 -6.636 1.00 0.00 C ATOM 689 CE2 TYR A 44 25.304 28.031 -7.722 1.00 0.00 C ATOM 690 CZ TYR A 44 26.118 26.918 -7.762 1.00 0.00 C ATOM 691 OH TYR A 44 26.761 26.580 -8.931 1.00 0.00 O ATOM 0 H TYR A 44 22.085 25.754 -5.164 1.00 0.00 H new ATOM 0 HA TYR A 44 23.396 26.072 -3.400 1.00 0.00 H new ATOM 0 HB2 TYR A 44 23.715 28.979 -4.206 1.00 0.00 H new ATOM 0 HB3 TYR A 44 24.839 27.984 -3.301 1.00 0.00 H new ATOM 0 HD1 TYR A 44 25.780 25.871 -4.584 1.00 0.00 H new ATOM 0 HD2 TYR A 44 24.027 29.238 -6.518 1.00 0.00 H new ATOM 0 HE1 TYR A 44 26.929 25.269 -6.670 1.00 0.00 H new ATOM 0 HE2 TYR A 44 25.170 28.638 -8.605 1.00 0.00 H new ATOM 0 HH TYR A 44 26.533 27.229 -9.629 1.00 0.00 H new ATOM 701 N ILE A 45 21.210 26.825 -2.092 1.00 0.00 N ATOM 702 CA ILE A 45 20.348 27.275 -1.007 1.00 0.00 C ATOM 703 C ILE A 45 21.169 27.709 0.203 1.00 0.00 C ATOM 704 O ILE A 45 22.343 27.360 0.327 1.00 0.00 O ATOM 705 CB ILE A 45 19.363 26.172 -0.576 1.00 0.00 C ATOM 706 CG1 ILE A 45 20.072 25.138 0.300 1.00 0.00 C ATOM 707 CG2 ILE A 45 18.746 25.507 -1.797 1.00 0.00 C ATOM 708 CD1 ILE A 45 21.266 24.496 -0.370 1.00 0.00 C ATOM 0 H ILE A 45 21.033 25.870 -2.402 1.00 0.00 H new ATOM 0 HA ILE A 45 19.783 28.127 -1.385 1.00 0.00 H new ATOM 0 HB ILE A 45 18.563 26.627 0.008 1.00 0.00 H new ATOM 0 HG12 ILE A 45 20.398 25.618 1.223 1.00 0.00 H new ATOM 0 HG13 ILE A 45 19.360 24.361 0.579 1.00 0.00 H new ATOM 0 HG21 ILE A 45 18.052 24.730 -1.476 1.00 0.00 H new ATOM 0 HG22 ILE A 45 18.210 26.252 -2.385 1.00 0.00 H new ATOM 0 HG23 ILE A 45 19.533 25.062 -2.406 1.00 0.00 H new ATOM 0 HD11 ILE A 45 21.720 23.774 0.309 1.00 0.00 H new ATOM 0 HD12 ILE A 45 20.943 23.987 -1.278 1.00 0.00 H new ATOM 0 HD13 ILE A 45 21.997 25.264 -0.624 1.00 0.00 H new ATOM 720 N ARG A 46 20.542 28.470 1.094 1.00 0.00 N ATOM 721 CA ARG A 46 21.214 28.951 2.295 1.00 0.00 C ATOM 722 C ARG A 46 21.257 27.865 3.366 1.00 0.00 C ATOM 723 O ARG A 46 20.229 27.503 3.939 1.00 0.00 O ATOM 724 CB ARG A 46 20.504 30.191 2.841 1.00 0.00 C ATOM 725 CG ARG A 46 21.088 31.500 2.333 1.00 0.00 C ATOM 726 CD ARG A 46 20.489 31.893 0.991 1.00 0.00 C ATOM 727 NE ARG A 46 19.209 32.578 1.142 1.00 0.00 N ATOM 728 CZ ARG A 46 19.096 33.868 1.438 1.00 0.00 C ATOM 729 NH1 ARG A 46 20.181 34.609 1.614 1.00 0.00 N ATOM 730 NH2 ARG A 46 17.895 34.420 1.560 1.00 0.00 N ATOM 0 H ARG A 46 19.570 28.767 1.007 1.00 0.00 H new ATOM 0 HA ARG A 46 22.237 29.215 2.027 1.00 0.00 H new ATOM 0 HB2 ARG A 46 19.449 30.144 2.570 1.00 0.00 H new ATOM 0 HB3 ARG A 46 20.555 30.179 3.930 1.00 0.00 H new ATOM 0 HG2 ARG A 46 20.902 32.290 3.061 1.00 0.00 H new ATOM 0 HG3 ARG A 46 22.169 31.404 2.236 1.00 0.00 H new ATOM 0 HD2 ARG A 46 21.186 32.540 0.459 1.00 0.00 H new ATOM 0 HD3 ARG A 46 20.353 31.001 0.380 1.00 0.00 H new ATOM 0 HE ARG A 46 18.354 32.036 1.013 1.00 0.00 H new ATOM 0 HH11 ARG A 46 21.106 34.189 1.522 1.00 0.00 H new ATOM 0 HH12 ARG A 46 20.091 35.599 1.841 1.00 0.00 H new ATOM 0 HH21 ARG A 46 17.057 33.853 1.426 1.00 0.00 H new ATOM 0 HH22 ARG A 46 17.810 35.411 1.787 1.00 0.00 H new ATOM 744 N ILE A 47 22.453 27.348 3.630 1.00 0.00 N ATOM 745 CA ILE A 47 22.629 26.304 4.631 1.00 0.00 C ATOM 746 C ILE A 47 23.448 26.810 5.814 1.00 0.00 C ATOM 747 O ILE A 47 24.442 27.515 5.639 1.00 0.00 O ATOM 748 CB ILE A 47 23.321 25.064 4.035 1.00 0.00 C ATOM 749 CG1 ILE A 47 22.510 24.517 2.859 1.00 0.00 C ATOM 750 CG2 ILE A 47 23.503 23.995 5.103 1.00 0.00 C ATOM 751 CD1 ILE A 47 23.218 23.419 2.096 1.00 0.00 C ATOM 0 H ILE A 47 23.314 27.636 3.164 1.00 0.00 H new ATOM 0 HA ILE A 47 21.633 26.024 4.974 1.00 0.00 H new ATOM 0 HB ILE A 47 24.305 25.356 3.669 1.00 0.00 H new ATOM 0 HG12 ILE A 47 21.559 24.135 3.230 1.00 0.00 H new ATOM 0 HG13 ILE A 47 22.281 25.334 2.175 1.00 0.00 H new ATOM 0 HG21 ILE A 47 23.993 23.125 4.667 1.00 0.00 H new ATOM 0 HG22 ILE A 47 24.117 24.390 5.912 1.00 0.00 H new ATOM 0 HG23 ILE A 47 22.529 23.704 5.496 1.00 0.00 H new ATOM 0 HD11 ILE A 47 22.585 23.079 1.277 1.00 0.00 H new ATOM 0 HD12 ILE A 47 24.156 23.802 1.695 1.00 0.00 H new ATOM 0 HD13 ILE A 47 23.424 22.584 2.766 1.00 0.00 H new ATOM 763 N LEU A 48 23.025 26.443 7.019 1.00 0.00 N ATOM 764 CA LEU A 48 23.720 26.858 8.232 1.00 0.00 C ATOM 765 C LEU A 48 23.316 25.986 9.417 1.00 0.00 C ATOM 766 O LEU A 48 22.274 25.331 9.409 1.00 0.00 O ATOM 767 CB LEU A 48 23.420 28.326 8.540 1.00 0.00 C ATOM 768 CG LEU A 48 22.026 28.821 8.151 1.00 0.00 C ATOM 769 CD1 LEU A 48 20.958 28.087 8.946 1.00 0.00 C ATOM 770 CD2 LEU A 48 21.915 30.324 8.366 1.00 0.00 C ATOM 0 H LEU A 48 22.205 25.859 7.182 1.00 0.00 H new ATOM 0 HA LEU A 48 24.791 26.740 8.065 1.00 0.00 H new ATOM 0 HB2 LEU A 48 23.556 28.487 9.609 1.00 0.00 H new ATOM 0 HB3 LEU A 48 24.159 28.942 8.028 1.00 0.00 H new ATOM 0 HG LEU A 48 21.869 28.613 7.093 1.00 0.00 H new ATOM 0 HD11 LEU A 48 19.973 28.452 8.656 1.00 0.00 H new ATOM 0 HD12 LEU A 48 21.023 27.018 8.742 1.00 0.00 H new ATOM 0 HD13 LEU A 48 21.111 28.263 10.011 1.00 0.00 H new ATOM 0 HD21 LEU A 48 20.917 30.659 8.084 1.00 0.00 H new ATOM 0 HD22 LEU A 48 22.092 30.555 9.416 1.00 0.00 H new ATOM 0 HD23 LEU A 48 22.656 30.835 7.752 1.00 0.00 H new ATOM 782 N PRO A 49 24.159 25.977 10.460 1.00 0.00 N ATOM 783 CA PRO A 49 23.909 25.191 11.673 1.00 0.00 C ATOM 784 C PRO A 49 22.746 25.742 12.491 1.00 0.00 C ATOM 785 O PRO A 49 22.804 26.863 12.994 1.00 0.00 O ATOM 786 CB PRO A 49 25.219 25.318 12.454 1.00 0.00 C ATOM 787 CG PRO A 49 25.820 26.596 11.980 1.00 0.00 C ATOM 788 CD PRO A 49 25.420 26.733 10.537 1.00 0.00 C ATOM 0 HA PRO A 49 23.632 24.162 11.442 1.00 0.00 H new ATOM 0 HB2 PRO A 49 25.039 25.340 13.529 1.00 0.00 H new ATOM 0 HB3 PRO A 49 25.880 24.473 12.259 1.00 0.00 H new ATOM 0 HG2 PRO A 49 25.457 27.439 12.567 1.00 0.00 H new ATOM 0 HG3 PRO A 49 26.905 26.579 12.084 1.00 0.00 H new ATOM 0 HD2 PRO A 49 25.281 27.777 10.256 1.00 0.00 H new ATOM 0 HD3 PRO A 49 26.177 26.321 9.869 1.00 0.00 H new ATOM 796 N GLY A 50 21.689 24.945 12.619 1.00 0.00 N ATOM 797 CA GLY A 50 20.527 25.370 13.378 1.00 0.00 C ATOM 798 C GLY A 50 19.255 25.342 12.555 1.00 0.00 C ATOM 799 O GLY A 50 18.217 25.844 12.986 1.00 0.00 O ATOM 0 H GLY A 50 21.617 24.013 12.211 1.00 0.00 H new ATOM 0 HA2 GLY A 50 20.408 24.723 14.247 1.00 0.00 H new ATOM 0 HA3 GLY A 50 20.691 26.380 13.753 1.00 0.00 H new ATOM 803 N ASP A 51 19.335 24.753 11.366 1.00 0.00 N ATOM 804 CA ASP A 51 18.180 24.661 10.480 1.00 0.00 C ATOM 805 C ASP A 51 17.551 23.273 10.549 1.00 0.00 C ATOM 806 O ASP A 51 18.193 22.309 10.966 1.00 0.00 O ATOM 807 CB ASP A 51 18.589 24.979 9.040 1.00 0.00 C ATOM 808 CG ASP A 51 17.404 25.347 8.169 1.00 0.00 C ATOM 809 OD1 ASP A 51 16.959 26.512 8.234 1.00 0.00 O ATOM 810 OD2 ASP A 51 16.922 24.470 7.423 1.00 0.00 O ATOM 0 H ASP A 51 20.187 24.333 10.994 1.00 0.00 H new ATOM 0 HA ASP A 51 17.441 25.391 10.809 1.00 0.00 H new ATOM 0 HB2 ASP A 51 19.304 25.802 9.042 1.00 0.00 H new ATOM 0 HB3 ASP A 51 19.097 24.116 8.611 1.00 0.00 H new ATOM 815 N LYS A 52 16.291 23.180 10.138 1.00 0.00 N ATOM 816 CA LYS A 52 15.574 21.910 10.153 1.00 0.00 C ATOM 817 C LYS A 52 15.302 21.422 8.733 1.00 0.00 C ATOM 818 O LYS A 52 14.723 22.142 7.919 1.00 0.00 O ATOM 819 CB LYS A 52 14.255 22.055 10.915 1.00 0.00 C ATOM 820 CG LYS A 52 14.429 22.151 12.420 1.00 0.00 C ATOM 821 CD LYS A 52 13.092 22.108 13.141 1.00 0.00 C ATOM 822 CE LYS A 52 12.460 23.489 13.227 1.00 0.00 C ATOM 823 NZ LYS A 52 11.066 23.430 13.746 1.00 0.00 N ATOM 0 H LYS A 52 15.745 23.969 9.790 1.00 0.00 H new ATOM 0 HA LYS A 52 16.199 21.174 10.658 1.00 0.00 H new ATOM 0 HB2 LYS A 52 13.736 22.946 10.560 1.00 0.00 H new ATOM 0 HB3 LYS A 52 13.617 21.202 10.685 1.00 0.00 H new ATOM 0 HG2 LYS A 52 15.057 21.331 12.767 1.00 0.00 H new ATOM 0 HG3 LYS A 52 14.948 23.077 12.669 1.00 0.00 H new ATOM 0 HD2 LYS A 52 12.417 21.430 12.618 1.00 0.00 H new ATOM 0 HD3 LYS A 52 13.232 21.708 14.145 1.00 0.00 H new ATOM 0 HE2 LYS A 52 13.063 24.124 13.876 1.00 0.00 H new ATOM 0 HE3 LYS A 52 12.461 23.951 12.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 10.671 24.391 13.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 10.484 22.845 13.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 11.068 23.013 14.699 1.00 0.00 H new ATOM 837 N VAL A 53 15.723 20.195 8.443 1.00 0.00 N ATOM 838 CA VAL A 53 15.523 19.611 7.123 1.00 0.00 C ATOM 839 C VAL A 53 15.129 18.141 7.226 1.00 0.00 C ATOM 840 O VAL A 53 15.252 17.527 8.286 1.00 0.00 O ATOM 841 CB VAL A 53 16.791 19.731 6.257 1.00 0.00 C ATOM 842 CG1 VAL A 53 17.252 21.178 6.183 1.00 0.00 C ATOM 843 CG2 VAL A 53 17.895 18.839 6.804 1.00 0.00 C ATOM 0 H VAL A 53 16.205 19.586 9.105 1.00 0.00 H new ATOM 0 HA VAL A 53 14.715 20.169 6.650 1.00 0.00 H new ATOM 0 HB VAL A 53 16.553 19.399 5.247 1.00 0.00 H new ATOM 0 HG11 VAL A 53 18.149 21.243 5.567 1.00 0.00 H new ATOM 0 HG12 VAL A 53 16.464 21.789 5.742 1.00 0.00 H new ATOM 0 HG13 VAL A 53 17.474 21.541 7.187 1.00 0.00 H new ATOM 0 HG21 VAL A 53 18.784 18.936 6.180 1.00 0.00 H new ATOM 0 HG22 VAL A 53 18.133 19.139 7.824 1.00 0.00 H new ATOM 0 HG23 VAL A 53 17.560 17.802 6.800 1.00 0.00 H new ATOM 853 N THR A 54 14.654 17.582 6.118 1.00 0.00 N ATOM 854 CA THR A 54 14.241 16.185 6.083 1.00 0.00 C ATOM 855 C THR A 54 15.337 15.302 5.496 1.00 0.00 C ATOM 856 O THR A 54 16.071 15.719 4.601 1.00 0.00 O ATOM 857 CB THR A 54 12.953 16.000 5.259 1.00 0.00 C ATOM 858 OG1 THR A 54 12.004 17.017 5.598 1.00 0.00 O ATOM 859 CG2 THR A 54 12.344 14.628 5.507 1.00 0.00 C ATOM 0 H THR A 54 14.546 18.076 5.232 1.00 0.00 H new ATOM 0 HA THR A 54 14.050 15.886 7.114 1.00 0.00 H new ATOM 0 HB THR A 54 13.209 16.081 4.203 1.00 0.00 H new ATOM 0 HG1 THR A 54 11.189 16.893 5.069 1.00 0.00 H new ATOM 0 HG21 THR A 54 11.436 14.521 4.914 1.00 0.00 H new ATOM 0 HG22 THR A 54 13.058 13.856 5.220 1.00 0.00 H new ATOM 0 HG23 THR A 54 12.102 14.523 6.565 1.00 0.00 H new ATOM 867 N VAL A 55 15.442 14.079 6.007 1.00 0.00 N ATOM 868 CA VAL A 55 16.447 13.136 5.532 1.00 0.00 C ATOM 869 C VAL A 55 15.874 11.727 5.429 1.00 0.00 C ATOM 870 O VAL A 55 15.162 11.269 6.322 1.00 0.00 O ATOM 871 CB VAL A 55 17.676 13.111 6.459 1.00 0.00 C ATOM 872 CG1 VAL A 55 18.565 14.319 6.200 1.00 0.00 C ATOM 873 CG2 VAL A 55 17.243 13.061 7.916 1.00 0.00 C ATOM 0 H VAL A 55 14.843 13.719 6.750 1.00 0.00 H new ATOM 0 HA VAL A 55 16.754 13.474 4.542 1.00 0.00 H new ATOM 0 HB VAL A 55 18.253 12.212 6.244 1.00 0.00 H new ATOM 0 HG11 VAL A 55 19.429 14.284 6.864 1.00 0.00 H new ATOM 0 HG12 VAL A 55 18.903 14.306 5.164 1.00 0.00 H new ATOM 0 HG13 VAL A 55 18.001 15.233 6.386 1.00 0.00 H new ATOM 0 HG21 VAL A 55 18.124 13.044 8.557 1.00 0.00 H new ATOM 0 HG22 VAL A 55 16.643 13.941 8.148 1.00 0.00 H new ATOM 0 HG23 VAL A 55 16.651 12.162 8.089 1.00 0.00 H new ATOM 883 N GLU A 56 16.190 11.044 4.332 1.00 0.00 N ATOM 884 CA GLU A 56 15.705 9.686 4.113 1.00 0.00 C ATOM 885 C GLU A 56 16.787 8.662 4.445 1.00 0.00 C ATOM 886 O GLU A 56 17.818 8.593 3.776 1.00 0.00 O ATOM 887 CB GLU A 56 15.250 9.512 2.663 1.00 0.00 C ATOM 888 CG GLU A 56 13.773 9.184 2.523 1.00 0.00 C ATOM 889 CD GLU A 56 13.299 9.225 1.083 1.00 0.00 C ATOM 890 OE1 GLU A 56 14.102 8.897 0.185 1.00 0.00 O ATOM 891 OE2 GLU A 56 12.126 9.586 0.856 1.00 0.00 O ATOM 0 H GLU A 56 16.779 11.408 3.583 1.00 0.00 H new ATOM 0 HA GLU A 56 14.856 9.519 4.775 1.00 0.00 H new ATOM 0 HB2 GLU A 56 15.464 10.428 2.112 1.00 0.00 H new ATOM 0 HB3 GLU A 56 15.835 8.717 2.200 1.00 0.00 H new ATOM 0 HG2 GLU A 56 13.584 8.193 2.935 1.00 0.00 H new ATOM 0 HG3 GLU A 56 13.190 9.891 3.113 1.00 0.00 H new ATOM 898 N LEU A 57 16.543 7.870 5.483 1.00 0.00 N ATOM 899 CA LEU A 57 17.496 6.849 5.906 1.00 0.00 C ATOM 900 C LEU A 57 16.921 5.451 5.704 1.00 0.00 C ATOM 901 O LEU A 57 15.704 5.270 5.642 1.00 0.00 O ATOM 902 CB LEU A 57 17.872 7.051 7.374 1.00 0.00 C ATOM 903 CG LEU A 57 16.754 6.822 8.392 1.00 0.00 C ATOM 904 CD1 LEU A 57 16.706 5.361 8.811 1.00 0.00 C ATOM 905 CD2 LEU A 57 16.944 7.721 9.605 1.00 0.00 C ATOM 0 H LEU A 57 15.694 7.915 6.047 1.00 0.00 H new ATOM 0 HA LEU A 57 18.391 6.946 5.292 1.00 0.00 H new ATOM 0 HB2 LEU A 57 18.696 6.379 7.613 1.00 0.00 H new ATOM 0 HB3 LEU A 57 18.244 8.068 7.496 1.00 0.00 H new ATOM 0 HG LEU A 57 15.804 7.076 7.923 1.00 0.00 H new ATOM 0 HD11 LEU A 57 15.905 5.216 9.536 1.00 0.00 H new ATOM 0 HD12 LEU A 57 16.521 4.738 7.936 1.00 0.00 H new ATOM 0 HD13 LEU A 57 17.658 5.080 9.262 1.00 0.00 H new ATOM 0 HD21 LEU A 57 16.139 7.544 10.319 1.00 0.00 H new ATOM 0 HD22 LEU A 57 17.902 7.499 10.076 1.00 0.00 H new ATOM 0 HD23 LEU A 57 16.927 8.765 9.291 1.00 0.00 H new ATOM 917 N THR A 58 17.804 4.461 5.605 1.00 0.00 N ATOM 918 CA THR A 58 17.384 3.079 5.412 1.00 0.00 C ATOM 919 C THR A 58 17.455 2.296 6.718 1.00 0.00 C ATOM 920 O THR A 58 18.153 2.673 7.659 1.00 0.00 O ATOM 921 CB THR A 58 18.252 2.371 4.355 1.00 0.00 C ATOM 922 OG1 THR A 58 19.569 2.932 4.346 1.00 0.00 O ATOM 923 CG2 THR A 58 17.632 2.500 2.971 1.00 0.00 C ATOM 0 H THR A 58 18.814 4.592 5.655 1.00 0.00 H new ATOM 0 HA THR A 58 16.351 3.108 5.064 1.00 0.00 H new ATOM 0 HB THR A 58 18.310 1.314 4.614 1.00 0.00 H new ATOM 0 HG1 THR A 58 19.895 3.016 5.266 1.00 0.00 H new ATOM 0 HG21 THR A 58 18.263 1.992 2.241 1.00 0.00 H new ATOM 0 HG22 THR A 58 16.641 2.046 2.972 1.00 0.00 H new ATOM 0 HG23 THR A 58 17.548 3.554 2.707 1.00 0.00 H new ATOM 931 N PRO A 59 16.716 1.178 6.779 1.00 0.00 N ATOM 932 CA PRO A 59 16.679 0.318 7.965 1.00 0.00 C ATOM 933 C PRO A 59 17.994 -0.423 8.185 1.00 0.00 C ATOM 934 O PRO A 59 18.534 -0.432 9.292 1.00 0.00 O ATOM 935 CB PRO A 59 15.554 -0.672 7.651 1.00 0.00 C ATOM 936 CG PRO A 59 15.490 -0.712 6.163 1.00 0.00 C ATOM 937 CD PRO A 59 15.860 0.668 5.695 1.00 0.00 C ATOM 0 HA PRO A 59 16.519 0.891 8.878 1.00 0.00 H new ATOM 0 HB2 PRO A 59 15.767 -1.658 8.065 1.00 0.00 H new ATOM 0 HB3 PRO A 59 14.607 -0.344 8.079 1.00 0.00 H new ATOM 0 HG2 PRO A 59 16.178 -1.457 5.763 1.00 0.00 H new ATOM 0 HG3 PRO A 59 14.491 -0.985 5.823 1.00 0.00 H new ATOM 0 HD2 PRO A 59 16.390 0.641 4.743 1.00 0.00 H new ATOM 0 HD3 PRO A 59 14.979 1.293 5.551 1.00 0.00 H new ATOM 945 N TYR A 60 18.503 -1.041 7.126 1.00 0.00 N ATOM 946 CA TYR A 60 19.755 -1.786 7.204 1.00 0.00 C ATOM 947 C TYR A 60 20.945 -0.840 7.333 1.00 0.00 C ATOM 948 O TYR A 60 21.857 -1.076 8.125 1.00 0.00 O ATOM 949 CB TYR A 60 19.924 -2.671 5.969 1.00 0.00 C ATOM 950 CG TYR A 60 18.781 -3.638 5.755 1.00 0.00 C ATOM 951 CD1 TYR A 60 18.740 -4.855 6.426 1.00 0.00 C ATOM 952 CD2 TYR A 60 17.742 -3.335 4.884 1.00 0.00 C ATOM 953 CE1 TYR A 60 17.699 -5.742 6.233 1.00 0.00 C ATOM 954 CE2 TYR A 60 16.696 -4.215 4.687 1.00 0.00 C ATOM 955 CZ TYR A 60 16.679 -5.417 5.363 1.00 0.00 C ATOM 956 OH TYR A 60 15.639 -6.297 5.170 1.00 0.00 O ATOM 0 H TYR A 60 18.069 -1.041 6.203 1.00 0.00 H new ATOM 0 HA TYR A 60 19.718 -2.417 8.092 1.00 0.00 H new ATOM 0 HB2 TYR A 60 20.021 -2.036 5.088 1.00 0.00 H new ATOM 0 HB3 TYR A 60 20.853 -3.234 6.060 1.00 0.00 H new ATOM 0 HD1 TYR A 60 19.536 -5.111 7.110 1.00 0.00 H new ATOM 0 HD2 TYR A 60 17.752 -2.395 4.352 1.00 0.00 H new ATOM 0 HE1 TYR A 60 17.684 -6.684 6.760 1.00 0.00 H new ATOM 0 HE2 TYR A 60 15.896 -3.963 4.007 1.00 0.00 H new ATOM 0 HH TYR A 60 15.004 -5.917 4.528 1.00 0.00 H new ATOM 966 N ASP A 61 20.927 0.232 6.549 1.00 0.00 N ATOM 967 CA ASP A 61 22.002 1.217 6.575 1.00 0.00 C ATOM 968 C ASP A 61 21.576 2.468 7.337 1.00 0.00 C ATOM 969 O ASP A 61 21.081 3.429 6.746 1.00 0.00 O ATOM 970 CB ASP A 61 22.417 1.588 5.151 1.00 0.00 C ATOM 971 CG ASP A 61 22.355 0.407 4.203 1.00 0.00 C ATOM 972 OD1 ASP A 61 22.727 -0.709 4.622 1.00 0.00 O ATOM 973 OD2 ASP A 61 21.936 0.598 3.042 1.00 0.00 O ATOM 0 H ASP A 61 20.180 0.441 5.887 1.00 0.00 H new ATOM 0 HA ASP A 61 22.855 0.774 7.090 1.00 0.00 H new ATOM 0 HB2 ASP A 61 21.767 2.381 4.781 1.00 0.00 H new ATOM 0 HB3 ASP A 61 23.431 1.987 5.164 1.00 0.00 H new ATOM 978 N LEU A 62 21.770 2.449 8.651 1.00 0.00 N ATOM 979 CA LEU A 62 21.404 3.582 9.494 1.00 0.00 C ATOM 980 C LEU A 62 22.577 4.543 9.653 1.00 0.00 C ATOM 981 O LEU A 62 22.553 5.433 10.504 1.00 0.00 O ATOM 982 CB LEU A 62 20.941 3.092 10.868 1.00 0.00 C ATOM 983 CG LEU A 62 19.700 2.199 10.879 1.00 0.00 C ATOM 984 CD1 LEU A 62 19.686 1.319 12.119 1.00 0.00 C ATOM 985 CD2 LEU A 62 18.436 3.043 10.807 1.00 0.00 C ATOM 0 H LEU A 62 22.178 1.662 9.156 1.00 0.00 H new ATOM 0 HA LEU A 62 20.585 4.114 9.010 1.00 0.00 H new ATOM 0 HB2 LEU A 62 21.762 2.545 11.332 1.00 0.00 H new ATOM 0 HB3 LEU A 62 20.744 3.962 11.494 1.00 0.00 H new ATOM 0 HG LEU A 62 19.733 1.553 10.002 1.00 0.00 H new ATOM 0 HD11 LEU A 62 18.795 0.691 12.109 1.00 0.00 H new ATOM 0 HD12 LEU A 62 20.575 0.688 12.128 1.00 0.00 H new ATOM 0 HD13 LEU A 62 19.678 1.946 13.010 1.00 0.00 H new ATOM 0 HD21 LEU A 62 17.562 2.391 10.816 1.00 0.00 H new ATOM 0 HD22 LEU A 62 18.397 3.714 11.665 1.00 0.00 H new ATOM 0 HD23 LEU A 62 18.442 3.629 9.888 1.00 0.00 H new ATOM 997 N SER A 63 23.603 4.360 8.828 1.00 0.00 N ATOM 998 CA SER A 63 24.786 5.210 8.878 1.00 0.00 C ATOM 999 C SER A 63 24.989 5.937 7.552 1.00 0.00 C ATOM 1000 O SER A 63 26.105 6.330 7.212 1.00 0.00 O ATOM 1001 CB SER A 63 26.025 4.376 9.210 1.00 0.00 C ATOM 1002 OG SER A 63 26.123 4.141 10.604 1.00 0.00 O ATOM 0 H SER A 63 23.638 3.630 8.117 1.00 0.00 H new ATOM 0 HA SER A 63 24.636 5.953 9.661 1.00 0.00 H new ATOM 0 HB2 SER A 63 25.980 3.425 8.680 1.00 0.00 H new ATOM 0 HB3 SER A 63 26.919 4.893 8.861 1.00 0.00 H new ATOM 0 HG SER A 63 26.922 3.605 10.790 1.00 0.00 H new ATOM 1008 N ARG A 64 23.902 6.111 6.808 1.00 0.00 N ATOM 1009 CA ARG A 64 23.960 6.790 5.518 1.00 0.00 C ATOM 1010 C ARG A 64 22.557 7.078 4.993 1.00 0.00 C ATOM 1011 O ARG A 64 21.780 6.160 4.732 1.00 0.00 O ATOM 1012 CB ARG A 64 24.731 5.941 4.506 1.00 0.00 C ATOM 1013 CG ARG A 64 24.154 4.549 4.312 1.00 0.00 C ATOM 1014 CD ARG A 64 25.226 3.554 3.896 1.00 0.00 C ATOM 1015 NE ARG A 64 25.857 3.927 2.633 1.00 0.00 N ATOM 1016 CZ ARG A 64 26.819 3.216 2.054 1.00 0.00 C ATOM 1017 NH1 ARG A 64 27.257 2.101 2.622 1.00 0.00 N ATOM 1018 NH2 ARG A 64 27.344 3.621 0.904 1.00 0.00 N ATOM 0 H ARG A 64 22.971 5.792 7.075 1.00 0.00 H new ATOM 0 HA ARG A 64 24.479 7.738 5.657 1.00 0.00 H new ATOM 0 HB2 ARG A 64 24.743 6.457 3.546 1.00 0.00 H new ATOM 0 HB3 ARG A 64 25.767 5.853 4.833 1.00 0.00 H new ATOM 0 HG2 ARG A 64 23.687 4.215 5.238 1.00 0.00 H new ATOM 0 HG3 ARG A 64 23.372 4.581 3.554 1.00 0.00 H new ATOM 0 HD2 ARG A 64 25.985 3.491 4.676 1.00 0.00 H new ATOM 0 HD3 ARG A 64 24.783 2.562 3.801 1.00 0.00 H new ATOM 0 HE ARG A 64 25.542 4.780 2.170 1.00 0.00 H new ATOM 0 HH11 ARG A 64 26.856 1.787 3.506 1.00 0.00 H new ATOM 0 HH12 ARG A 64 27.995 1.557 2.175 1.00 0.00 H new ATOM 0 HH21 ARG A 64 27.009 4.478 0.464 1.00 0.00 H new ATOM 0 HH22 ARG A 64 28.082 3.075 0.460 1.00 0.00 H new ATOM 1032 N ALA A 65 22.240 8.360 4.840 1.00 0.00 N ATOM 1033 CA ALA A 65 20.931 8.769 4.344 1.00 0.00 C ATOM 1034 C ALA A 65 21.062 9.858 3.286 1.00 0.00 C ATOM 1035 O ALA A 65 22.150 10.387 3.056 1.00 0.00 O ATOM 1036 CB ALA A 65 20.058 9.249 5.494 1.00 0.00 C ATOM 0 H ALA A 65 22.871 9.133 5.052 1.00 0.00 H new ATOM 0 HA ALA A 65 20.458 7.903 3.880 1.00 0.00 H new ATOM 0 HB1 ALA A 65 19.084 9.551 5.110 1.00 0.00 H new ATOM 0 HB2 ALA A 65 19.929 8.441 6.215 1.00 0.00 H new ATOM 0 HB3 ALA A 65 20.535 10.099 5.983 1.00 0.00 H new ATOM 1042 N ARG A 66 19.947 10.189 2.643 1.00 0.00 N ATOM 1043 CA ARG A 66 19.937 11.214 1.606 1.00 0.00 C ATOM 1044 C ARG A 66 19.385 12.530 2.148 1.00 0.00 C ATOM 1045 O ARG A 66 18.348 12.553 2.810 1.00 0.00 O ATOM 1046 CB ARG A 66 19.103 10.753 0.410 1.00 0.00 C ATOM 1047 CG ARG A 66 17.642 10.505 0.746 1.00 0.00 C ATOM 1048 CD ARG A 66 16.846 10.109 -0.488 1.00 0.00 C ATOM 1049 NE ARG A 66 16.922 8.675 -0.752 1.00 0.00 N ATOM 1050 CZ ARG A 66 16.176 8.054 -1.659 1.00 0.00 C ATOM 1051 NH1 ARG A 66 15.301 8.738 -2.383 1.00 0.00 N ATOM 1052 NH2 ARG A 66 16.303 6.746 -1.842 1.00 0.00 N ATOM 0 H ARG A 66 19.038 9.762 2.822 1.00 0.00 H new ATOM 0 HA ARG A 66 20.965 11.377 1.282 1.00 0.00 H new ATOM 0 HB2 ARG A 66 19.164 11.506 -0.376 1.00 0.00 H new ATOM 0 HB3 ARG A 66 19.535 9.837 0.008 1.00 0.00 H new ATOM 0 HG2 ARG A 66 17.569 9.717 1.496 1.00 0.00 H new ATOM 0 HG3 ARG A 66 17.211 11.405 1.185 1.00 0.00 H new ATOM 0 HD2 ARG A 66 15.804 10.398 -0.355 1.00 0.00 H new ATOM 0 HD3 ARG A 66 17.221 10.657 -1.352 1.00 0.00 H new ATOM 0 HE ARG A 66 17.584 8.120 -0.210 1.00 0.00 H new ATOM 0 HH11 ARG A 66 15.199 9.743 -2.244 1.00 0.00 H new ATOM 0 HH12 ARG A 66 14.729 8.259 -3.079 1.00 0.00 H new ATOM 0 HH21 ARG A 66 16.974 6.216 -1.286 1.00 0.00 H new ATOM 0 HH22 ARG A 66 15.730 6.270 -2.539 1.00 0.00 H new ATOM 1066 N ILE A 67 20.087 13.622 1.862 1.00 0.00 N ATOM 1067 CA ILE A 67 19.666 14.940 2.320 1.00 0.00 C ATOM 1068 C ILE A 67 18.493 15.460 1.497 1.00 0.00 C ATOM 1069 O ILE A 67 18.542 15.476 0.267 1.00 0.00 O ATOM 1070 CB ILE A 67 20.821 15.957 2.245 1.00 0.00 C ATOM 1071 CG1 ILE A 67 21.988 15.502 3.125 1.00 0.00 C ATOM 1072 CG2 ILE A 67 20.340 17.337 2.666 1.00 0.00 C ATOM 1073 CD1 ILE A 67 21.672 15.522 4.604 1.00 0.00 C ATOM 0 H ILE A 67 20.949 13.620 1.316 1.00 0.00 H new ATOM 0 HA ILE A 67 19.356 14.829 3.359 1.00 0.00 H new ATOM 0 HB ILE A 67 21.169 16.014 1.214 1.00 0.00 H new ATOM 0 HG12 ILE A 67 22.277 14.491 2.837 1.00 0.00 H new ATOM 0 HG13 ILE A 67 22.847 16.145 2.936 1.00 0.00 H new ATOM 0 HG21 ILE A 67 21.167 18.044 2.608 1.00 0.00 H new ATOM 0 HG22 ILE A 67 19.538 17.661 2.002 1.00 0.00 H new ATOM 0 HG23 ILE A 67 19.969 17.296 3.690 1.00 0.00 H new ATOM 0 HD11 ILE A 67 22.544 15.188 5.167 1.00 0.00 H new ATOM 0 HD12 ILE A 67 21.412 16.536 4.907 1.00 0.00 H new ATOM 0 HD13 ILE A 67 20.833 14.856 4.806 1.00 0.00 H new ATOM 1085 N VAL A 68 17.437 15.885 2.184 1.00 0.00 N ATOM 1086 CA VAL A 68 16.251 16.408 1.517 1.00 0.00 C ATOM 1087 C VAL A 68 16.025 17.875 1.867 1.00 0.00 C ATOM 1088 O VAL A 68 16.576 18.383 2.844 1.00 0.00 O ATOM 1089 CB VAL A 68 14.994 15.602 1.893 1.00 0.00 C ATOM 1090 CG1 VAL A 68 13.893 15.819 0.866 1.00 0.00 C ATOM 1091 CG2 VAL A 68 15.328 14.124 2.025 1.00 0.00 C ATOM 0 H VAL A 68 17.379 15.877 3.202 1.00 0.00 H new ATOM 0 HA VAL A 68 16.425 16.316 0.445 1.00 0.00 H new ATOM 0 HB VAL A 68 14.632 15.956 2.858 1.00 0.00 H new ATOM 0 HG11 VAL A 68 13.013 15.241 1.149 1.00 0.00 H new ATOM 0 HG12 VAL A 68 13.635 16.877 0.827 1.00 0.00 H new ATOM 0 HG13 VAL A 68 14.241 15.494 -0.115 1.00 0.00 H new ATOM 0 HG21 VAL A 68 14.428 13.570 2.291 1.00 0.00 H new ATOM 0 HG22 VAL A 68 15.716 13.752 1.076 1.00 0.00 H new ATOM 0 HG23 VAL A 68 16.080 13.989 2.802 1.00 0.00 H new ATOM 1101 N PHE A 69 15.211 18.551 1.063 1.00 0.00 N ATOM 1102 CA PHE A 69 14.912 19.960 1.288 1.00 0.00 C ATOM 1103 C PHE A 69 14.489 20.203 2.734 1.00 0.00 C ATOM 1104 O PHE A 69 14.169 19.265 3.464 1.00 0.00 O ATOM 1105 CB PHE A 69 13.809 20.428 0.337 1.00 0.00 C ATOM 1106 CG PHE A 69 14.085 20.109 -1.105 1.00 0.00 C ATOM 1107 CD1 PHE A 69 15.323 20.382 -1.663 1.00 0.00 C ATOM 1108 CD2 PHE A 69 13.107 19.536 -1.901 1.00 0.00 C ATOM 1109 CE1 PHE A 69 15.581 20.090 -2.990 1.00 0.00 C ATOM 1110 CE2 PHE A 69 13.359 19.241 -3.228 1.00 0.00 C ATOM 1111 CZ PHE A 69 14.597 19.520 -3.773 1.00 0.00 C ATOM 0 H PHE A 69 14.747 18.146 0.250 1.00 0.00 H new ATOM 0 HA PHE A 69 15.818 20.533 1.092 1.00 0.00 H new ATOM 0 HB2 PHE A 69 12.867 19.964 0.630 1.00 0.00 H new ATOM 0 HB3 PHE A 69 13.681 21.505 0.444 1.00 0.00 H new ATOM 0 HD1 PHE A 69 16.096 20.828 -1.055 1.00 0.00 H new ATOM 0 HD2 PHE A 69 12.137 19.317 -1.480 1.00 0.00 H new ATOM 0 HE1 PHE A 69 16.551 20.307 -3.413 1.00 0.00 H new ATOM 0 HE2 PHE A 69 12.589 18.793 -3.838 1.00 0.00 H new ATOM 0 HZ PHE A 69 14.795 19.293 -4.810 1.00 0.00 H new ATOM 1121 N ARG A 70 14.492 21.468 3.140 1.00 0.00 N ATOM 1122 CA ARG A 70 14.111 21.835 4.499 1.00 0.00 C ATOM 1123 C ARG A 70 12.777 21.199 4.880 1.00 0.00 C ATOM 1124 O ARG A 70 11.998 20.801 4.014 1.00 0.00 O ATOM 1125 CB ARG A 70 14.019 23.356 4.633 1.00 0.00 C ATOM 1126 CG ARG A 70 13.163 24.012 3.561 1.00 0.00 C ATOM 1127 CD ARG A 70 12.841 25.456 3.911 1.00 0.00 C ATOM 1128 NE ARG A 70 11.761 25.555 4.890 1.00 0.00 N ATOM 1129 CZ ARG A 70 10.482 25.356 4.594 1.00 0.00 C ATOM 1130 NH1 ARG A 70 10.124 25.048 3.355 1.00 0.00 N ATOM 1131 NH2 ARG A 70 9.557 25.463 5.540 1.00 0.00 N ATOM 0 H ARG A 70 14.754 22.256 2.548 1.00 0.00 H new ATOM 0 HA ARG A 70 14.879 21.463 5.177 1.00 0.00 H new ATOM 0 HB2 ARG A 70 13.610 23.602 5.613 1.00 0.00 H new ATOM 0 HB3 ARG A 70 15.023 23.777 4.592 1.00 0.00 H new ATOM 0 HG2 ARG A 70 13.685 23.976 2.605 1.00 0.00 H new ATOM 0 HG3 ARG A 70 12.237 23.451 3.440 1.00 0.00 H new ATOM 0 HD2 ARG A 70 13.734 25.941 4.306 1.00 0.00 H new ATOM 0 HD3 ARG A 70 12.560 25.994 3.006 1.00 0.00 H new ATOM 0 HE ARG A 70 12.003 25.790 5.853 1.00 0.00 H new ATOM 0 HH11 ARG A 70 10.832 24.963 2.626 1.00 0.00 H new ATOM 0 HH12 ARG A 70 9.141 24.896 3.131 1.00 0.00 H new ATOM 0 HH21 ARG A 70 9.829 25.698 6.495 1.00 0.00 H new ATOM 0 HH22 ARG A 70 8.575 25.310 5.312 1.00 0.00 H new ATOM 1145 N ALA A 71 12.521 21.108 6.181 1.00 0.00 N ATOM 1146 CA ALA A 71 11.281 20.522 6.676 1.00 0.00 C ATOM 1147 C ALA A 71 10.278 21.604 7.062 1.00 0.00 C ATOM 1148 O ALA A 71 10.556 22.797 6.935 1.00 0.00 O ATOM 1149 CB ALA A 71 11.564 19.614 7.864 1.00 0.00 C ATOM 0 H ALA A 71 13.155 21.432 6.911 1.00 0.00 H new ATOM 0 HA ALA A 71 10.844 19.927 5.874 1.00 0.00 H new ATOM 0 HB1 ALA A 71 10.629 19.183 8.223 1.00 0.00 H new ATOM 0 HB2 ALA A 71 12.238 18.814 7.558 1.00 0.00 H new ATOM 0 HB3 ALA A 71 12.027 20.193 8.663 1.00 0.00 H new ATOM 1155 N LYS A 72 9.111 21.180 7.533 1.00 0.00 N ATOM 1156 CA LYS A 72 8.065 22.113 7.938 1.00 0.00 C ATOM 1157 C LYS A 72 8.380 22.725 9.299 1.00 0.00 C ATOM 1158 O LYS A 72 8.605 23.930 9.411 1.00 0.00 O ATOM 1159 CB LYS A 72 6.711 21.402 7.988 1.00 0.00 C ATOM 1160 CG LYS A 72 6.384 20.626 6.723 1.00 0.00 C ATOM 1161 CD LYS A 72 6.040 21.555 5.572 1.00 0.00 C ATOM 1162 CE LYS A 72 6.087 20.829 4.236 1.00 0.00 C ATOM 1163 NZ LYS A 72 6.325 21.766 3.104 1.00 0.00 N ATOM 0 H LYS A 72 8.865 20.196 7.644 1.00 0.00 H new ATOM 0 HA LYS A 72 8.021 22.914 7.200 1.00 0.00 H new ATOM 0 HB2 LYS A 72 6.700 20.718 8.837 1.00 0.00 H new ATOM 0 HB3 LYS A 72 5.929 22.140 8.164 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.235 20.003 6.447 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.546 19.955 6.913 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.045 21.973 5.725 1.00 0.00 H new ATOM 0 HD3 LYS A 72 6.738 22.392 5.557 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.877 20.078 4.258 1.00 0.00 H new ATOM 0 HE3 LYS A 72 5.148 20.299 4.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 6.350 21.233 2.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 5.558 22.467 3.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 7.233 22.253 3.242 1.00 0.00 H new