USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=9 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=-0.27) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= -0.813 K(o=-0.81,f=0) USER MOD Single : A 16 ASN : amide:sc= -0.638 K(o=-0.64,f=-1.2) USER MOD Single : A 19 ASN : amide:sc= -0.575 K(o=-0.58,f=-0.0023) USER MOD Single : A 21 THR OG1 : rot 78:sc= 1.31 USER MOD Single : A 25 LYS NZ :NH3+ -161:sc= -0.118 (180deg=-0.551) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 HIS : no HD1:sc=-0.00578 K(o=-0.0058,f=-0.65) 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 -135:sc= -2.19 (180deg=-8.39!) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=-0.012) 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 180:sc= 0.00251 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 11.721 2.087 1.947 1.00 0.00 N ATOM 75 CA VAL A 6 12.279 3.410 2.198 1.00 0.00 C ATOM 76 C VAL A 6 11.310 4.273 2.997 1.00 0.00 C ATOM 77 O VAL A 6 10.093 4.106 2.905 1.00 0.00 O ATOM 78 CB VAL A 6 12.626 4.132 0.882 1.00 0.00 C ATOM 79 CG1 VAL A 6 13.479 5.361 1.156 1.00 0.00 C ATOM 80 CG2 VAL A 6 13.334 3.184 -0.075 1.00 0.00 C ATOM 0 HA VAL A 6 13.192 3.264 2.776 1.00 0.00 H new ATOM 0 HB VAL A 6 11.699 4.460 0.412 1.00 0.00 H new ATOM 0 HG11 VAL A 6 13.714 5.858 0.215 1.00 0.00 H new ATOM 0 HG12 VAL A 6 12.931 6.047 1.802 1.00 0.00 H new ATOM 0 HG13 VAL A 6 14.404 5.060 1.648 1.00 0.00 H new ATOM 0 HG21 VAL A 6 13.572 3.711 -0.999 1.00 0.00 H new ATOM 0 HG22 VAL A 6 14.254 2.824 0.384 1.00 0.00 H new ATOM 0 HG23 VAL A 6 12.684 2.338 -0.296 1.00 0.00 H new ATOM 90 N ILE A 7 11.856 5.196 3.782 1.00 0.00 N ATOM 91 CA ILE A 7 11.039 6.086 4.597 1.00 0.00 C ATOM 92 C ILE A 7 11.731 7.428 4.807 1.00 0.00 C ATOM 93 O ILE A 7 12.896 7.482 5.201 1.00 0.00 O ATOM 94 CB ILE A 7 10.724 5.463 5.969 1.00 0.00 C ATOM 95 CG1 ILE A 7 12.019 5.170 6.730 1.00 0.00 C ATOM 96 CG2 ILE A 7 9.905 4.192 5.798 1.00 0.00 C ATOM 97 CD1 ILE A 7 12.365 6.221 7.761 1.00 0.00 C ATOM 0 H ILE A 7 12.861 5.347 3.871 1.00 0.00 H new ATOM 0 HA ILE A 7 10.106 6.242 4.056 1.00 0.00 H new ATOM 0 HB ILE A 7 10.137 6.175 6.549 1.00 0.00 H new ATOM 0 HG12 ILE A 7 11.929 4.203 7.225 1.00 0.00 H new ATOM 0 HG13 ILE A 7 12.839 5.088 6.017 1.00 0.00 H new ATOM 0 HG21 ILE A 7 9.690 3.763 6.777 1.00 0.00 H new ATOM 0 HG22 ILE A 7 8.969 4.428 5.292 1.00 0.00 H new ATOM 0 HG23 ILE A 7 10.468 3.473 5.203 1.00 0.00 H new ATOM 0 HD11 ILE A 7 13.294 5.948 8.261 1.00 0.00 H new ATOM 0 HD12 ILE A 7 12.487 7.186 7.270 1.00 0.00 H new ATOM 0 HD13 ILE A 7 11.563 6.287 8.496 1.00 0.00 H new ATOM 109 N GLN A 8 11.005 8.510 4.543 1.00 0.00 N ATOM 110 CA GLN A 8 11.550 9.853 4.705 1.00 0.00 C ATOM 111 C GLN A 8 11.197 10.422 6.076 1.00 0.00 C ATOM 112 O GLN A 8 10.028 10.471 6.456 1.00 0.00 O ATOM 113 CB GLN A 8 11.022 10.776 3.606 1.00 0.00 C ATOM 114 CG GLN A 8 9.514 10.965 3.642 1.00 0.00 C ATOM 115 CD GLN A 8 8.936 11.304 2.282 1.00 0.00 C ATOM 116 OE1 GLN A 8 9.597 11.928 1.452 1.00 0.00 O ATOM 117 NE2 GLN A 8 7.695 10.892 2.046 1.00 0.00 N ATOM 0 H GLN A 8 10.039 8.483 4.216 1.00 0.00 H new ATOM 0 HA GLN A 8 12.635 9.789 4.626 1.00 0.00 H new ATOM 0 HB2 GLN A 8 11.504 11.749 3.698 1.00 0.00 H new ATOM 0 HB3 GLN A 8 11.306 10.370 2.635 1.00 0.00 H new ATOM 0 HG2 GLN A 8 9.046 10.054 4.015 1.00 0.00 H new ATOM 0 HG3 GLN A 8 9.268 11.760 4.346 1.00 0.00 H new ATOM 0 HE21 GLN A 8 7.183 10.377 2.763 1.00 0.00 H new ATOM 0 HE22 GLN A 8 7.254 11.090 1.148 1.00 0.00 H new ATOM 126 N MET A 9 12.217 10.850 6.813 1.00 0.00 N ATOM 127 CA MET A 9 12.014 11.416 8.142 1.00 0.00 C ATOM 128 C MET A 9 12.291 12.916 8.142 1.00 0.00 C ATOM 129 O MET A 9 12.994 13.426 7.269 1.00 0.00 O ATOM 130 CB MET A 9 12.917 10.719 9.160 1.00 0.00 C ATOM 131 CG MET A 9 12.312 10.635 10.552 1.00 0.00 C ATOM 132 SD MET A 9 11.062 9.342 10.689 1.00 0.00 S ATOM 133 CE MET A 9 11.425 8.692 12.319 1.00 0.00 C ATOM 0 H MET A 9 13.191 10.816 6.513 1.00 0.00 H new ATOM 0 HA MET A 9 10.973 11.257 8.422 1.00 0.00 H new ATOM 0 HB2 MET A 9 13.138 9.712 8.807 1.00 0.00 H new ATOM 0 HB3 MET A 9 13.866 11.252 9.217 1.00 0.00 H new ATOM 0 HG2 MET A 9 13.104 10.448 11.277 1.00 0.00 H new ATOM 0 HG3 MET A 9 11.865 11.596 10.808 1.00 0.00 H new ATOM 0 HE1 MET A 9 10.734 7.882 12.550 1.00 0.00 H new ATOM 0 HE2 MET A 9 12.447 8.314 12.341 1.00 0.00 H new ATOM 0 HE3 MET A 9 11.315 9.484 13.059 1.00 0.00 H new ATOM 143 N GLN A 10 11.735 13.617 9.125 1.00 0.00 N ATOM 144 CA GLN A 10 11.922 15.058 9.236 1.00 0.00 C ATOM 145 C GLN A 10 12.851 15.398 10.397 1.00 0.00 C ATOM 146 O GLN A 10 12.490 15.235 11.562 1.00 0.00 O ATOM 147 CB GLN A 10 10.574 15.756 9.425 1.00 0.00 C ATOM 148 CG GLN A 10 10.019 16.363 8.146 1.00 0.00 C ATOM 149 CD GLN A 10 8.970 15.486 7.491 1.00 0.00 C ATOM 150 OE1 GLN A 10 7.810 15.878 7.362 1.00 0.00 O ATOM 151 NE2 GLN A 10 9.373 14.292 7.074 1.00 0.00 N ATOM 0 H GLN A 10 11.151 13.210 9.856 1.00 0.00 H new ATOM 0 HA GLN A 10 12.380 15.412 8.312 1.00 0.00 H new ATOM 0 HB2 GLN A 10 9.854 15.038 9.819 1.00 0.00 H new ATOM 0 HB3 GLN A 10 10.683 16.541 10.173 1.00 0.00 H new ATOM 0 HG2 GLN A 10 9.584 17.337 8.370 1.00 0.00 H new ATOM 0 HG3 GLN A 10 10.836 16.532 7.444 1.00 0.00 H new ATOM 0 HE21 GLN A 10 10.344 14.008 7.202 1.00 0.00 H new ATOM 0 HE22 GLN A 10 8.711 13.658 6.626 1.00 0.00 H new ATOM 160 N GLY A 11 14.050 15.872 10.070 1.00 0.00 N ATOM 161 CA GLY A 11 15.012 16.227 11.097 1.00 0.00 C ATOM 162 C GLY A 11 15.597 17.610 10.890 1.00 0.00 C ATOM 163 O GLY A 11 15.411 18.217 9.836 1.00 0.00 O ATOM 0 H GLY A 11 14.372 16.016 9.113 1.00 0.00 H new ATOM 0 HA2 GLY A 11 14.530 16.182 12.073 1.00 0.00 H new ATOM 0 HA3 GLY A 11 15.817 15.493 11.105 1.00 0.00 H new ATOM 167 N GLU A 12 16.304 18.109 11.899 1.00 0.00 N ATOM 168 CA GLU A 12 16.916 19.430 11.823 1.00 0.00 C ATOM 169 C GLU A 12 18.435 19.322 11.727 1.00 0.00 C ATOM 170 O GLU A 12 19.054 18.500 12.402 1.00 0.00 O ATOM 171 CB GLU A 12 16.529 20.267 13.044 1.00 0.00 C ATOM 172 CG GLU A 12 17.289 21.579 13.149 1.00 0.00 C ATOM 173 CD GLU A 12 16.570 22.602 14.005 1.00 0.00 C ATOM 174 OE1 GLU A 12 15.633 23.251 13.493 1.00 0.00 O ATOM 175 OE2 GLU A 12 16.943 22.756 15.187 1.00 0.00 O ATOM 0 H GLU A 12 16.467 17.618 12.778 1.00 0.00 H new ATOM 0 HA GLU A 12 16.547 19.922 10.923 1.00 0.00 H new ATOM 0 HB2 GLU A 12 15.460 20.478 13.005 1.00 0.00 H new ATOM 0 HB3 GLU A 12 16.706 19.681 13.946 1.00 0.00 H new ATOM 0 HG2 GLU A 12 18.277 21.390 13.569 1.00 0.00 H new ATOM 0 HG3 GLU A 12 17.440 21.988 12.150 1.00 0.00 H new ATOM 182 N VAL A 13 19.029 20.158 10.882 1.00 0.00 N ATOM 183 CA VAL A 13 20.476 20.158 10.696 1.00 0.00 C ATOM 184 C VAL A 13 21.193 20.586 11.972 1.00 0.00 C ATOM 185 O VAL A 13 20.782 21.536 12.638 1.00 0.00 O ATOM 186 CB VAL A 13 20.894 21.094 9.546 1.00 0.00 C ATOM 187 CG1 VAL A 13 22.409 21.144 9.424 1.00 0.00 C ATOM 188 CG2 VAL A 13 20.259 20.646 8.238 1.00 0.00 C ATOM 0 H VAL A 13 18.531 20.844 10.315 1.00 0.00 H new ATOM 0 HA VAL A 13 20.764 19.137 10.446 1.00 0.00 H new ATOM 0 HB VAL A 13 20.538 22.100 9.770 1.00 0.00 H new ATOM 0 HG11 VAL A 13 22.686 21.810 8.607 1.00 0.00 H new ATOM 0 HG12 VAL A 13 22.837 21.515 10.355 1.00 0.00 H new ATOM 0 HG13 VAL A 13 22.791 20.143 9.222 1.00 0.00 H new ATOM 0 HG21 VAL A 13 20.565 21.318 7.436 1.00 0.00 H new ATOM 0 HG22 VAL A 13 20.583 19.632 8.005 1.00 0.00 H new ATOM 0 HG23 VAL A 13 19.173 20.667 8.335 1.00 0.00 H new ATOM 198 N ILE A 14 22.268 19.879 12.305 1.00 0.00 N ATOM 199 CA ILE A 14 23.043 20.186 13.500 1.00 0.00 C ATOM 200 C ILE A 14 24.486 20.532 13.145 1.00 0.00 C ATOM 201 O ILE A 14 25.126 21.334 13.824 1.00 0.00 O ATOM 202 CB ILE A 14 23.039 19.009 14.492 1.00 0.00 C ATOM 203 CG1 ILE A 14 21.625 18.767 15.024 1.00 0.00 C ATOM 204 CG2 ILE A 14 24.003 19.278 15.638 1.00 0.00 C ATOM 205 CD1 ILE A 14 21.084 19.916 15.845 1.00 0.00 C ATOM 0 H ILE A 14 22.622 19.090 11.764 1.00 0.00 H new ATOM 0 HA ILE A 14 22.570 21.048 13.970 1.00 0.00 H new ATOM 0 HB ILE A 14 23.369 18.111 13.969 1.00 0.00 H new ATOM 0 HG12 ILE A 14 20.955 18.585 14.183 1.00 0.00 H new ATOM 0 HG13 ILE A 14 21.625 17.863 15.634 1.00 0.00 H new ATOM 0 HG21 ILE A 14 23.989 18.437 16.331 1.00 0.00 H new ATOM 0 HG22 ILE A 14 25.011 19.406 15.243 1.00 0.00 H new ATOM 0 HG23 ILE A 14 23.701 20.185 16.162 1.00 0.00 H new ATOM 0 HD11 ILE A 14 20.078 19.675 16.189 1.00 0.00 H new ATOM 0 HD12 ILE A 14 21.731 20.085 16.705 1.00 0.00 H new ATOM 0 HD13 ILE A 14 21.052 20.817 15.233 1.00 0.00 H new ATOM 217 N GLU A 15 24.989 19.923 12.075 1.00 0.00 N ATOM 218 CA GLU A 15 26.355 20.169 11.630 1.00 0.00 C ATOM 219 C GLU A 15 26.459 20.067 10.111 1.00 0.00 C ATOM 220 O GLU A 15 25.684 19.357 9.472 1.00 0.00 O ATOM 221 CB GLU A 15 27.315 19.173 12.285 1.00 0.00 C ATOM 222 CG GLU A 15 28.433 19.835 13.074 1.00 0.00 C ATOM 223 CD GLU A 15 28.224 19.741 14.573 1.00 0.00 C ATOM 224 OE1 GLU A 15 28.293 18.617 15.113 1.00 0.00 O ATOM 225 OE2 GLU A 15 27.991 20.792 15.206 1.00 0.00 O ATOM 0 H GLU A 15 24.471 19.257 11.502 1.00 0.00 H new ATOM 0 HA GLU A 15 26.631 21.180 11.929 1.00 0.00 H new ATOM 0 HB2 GLU A 15 26.750 18.520 12.950 1.00 0.00 H new ATOM 0 HB3 GLU A 15 27.752 18.540 11.512 1.00 0.00 H new ATOM 0 HG2 GLU A 15 29.383 19.368 12.813 1.00 0.00 H new ATOM 0 HG3 GLU A 15 28.504 20.884 12.786 1.00 0.00 H new ATOM 232 N ASN A 16 27.422 20.783 9.540 1.00 0.00 N ATOM 233 CA ASN A 16 27.627 20.774 8.096 1.00 0.00 C ATOM 234 C ASN A 16 29.066 20.398 7.753 1.00 0.00 C ATOM 235 O ASN A 16 30.007 21.108 8.111 1.00 0.00 O ATOM 236 CB ASN A 16 27.292 22.145 7.505 1.00 0.00 C ATOM 237 CG ASN A 16 28.128 23.256 8.110 1.00 0.00 C ATOM 238 OD1 ASN A 16 29.229 23.545 7.642 1.00 0.00 O ATOM 239 ND2 ASN A 16 27.607 23.885 9.157 1.00 0.00 N ATOM 0 H ASN A 16 28.072 21.377 10.055 1.00 0.00 H new ATOM 0 HA ASN A 16 26.962 20.026 7.664 1.00 0.00 H new ATOM 0 HB2 ASN A 16 27.450 22.121 6.427 1.00 0.00 H new ATOM 0 HB3 ASN A 16 26.236 22.359 7.668 1.00 0.00 H new ATOM 0 HD21 ASN A 16 28.123 24.641 9.607 1.00 0.00 H new ATOM 0 HD22 ASN A 16 26.690 23.612 9.512 1.00 0.00 H new ATOM 246 N LEU A 17 29.228 19.278 7.058 1.00 0.00 N ATOM 247 CA LEU A 17 30.552 18.807 6.666 1.00 0.00 C ATOM 248 C LEU A 17 30.867 19.204 5.227 1.00 0.00 C ATOM 249 O LEU A 17 29.977 19.513 4.433 1.00 0.00 O ATOM 250 CB LEU A 17 30.640 17.287 6.818 1.00 0.00 C ATOM 251 CG LEU A 17 31.117 16.776 8.178 1.00 0.00 C ATOM 252 CD1 LEU A 17 30.291 17.387 9.298 1.00 0.00 C ATOM 253 CD2 LEU A 17 31.048 15.256 8.230 1.00 0.00 C ATOM 0 H LEU A 17 28.460 18.679 6.754 1.00 0.00 H new ATOM 0 HA LEU A 17 31.286 19.275 7.322 1.00 0.00 H new ATOM 0 HB2 LEU A 17 29.655 16.864 6.618 1.00 0.00 H new ATOM 0 HB3 LEU A 17 31.313 16.903 6.051 1.00 0.00 H new ATOM 0 HG LEU A 17 32.155 17.078 8.314 1.00 0.00 H new ATOM 0 HD11 LEU A 17 30.645 17.011 10.258 1.00 0.00 H new ATOM 0 HD12 LEU A 17 30.391 18.472 9.274 1.00 0.00 H new ATOM 0 HD13 LEU A 17 29.243 17.116 9.167 1.00 0.00 H new ATOM 0 HD21 LEU A 17 31.391 14.909 9.205 1.00 0.00 H new ATOM 0 HD22 LEU A 17 30.019 14.933 8.071 1.00 0.00 H new ATOM 0 HD23 LEU A 17 31.684 14.836 7.451 1.00 0.00 H new ATOM 265 N PRO A 18 32.162 19.194 4.880 1.00 0.00 N ATOM 266 CA PRO A 18 32.624 19.548 3.535 1.00 0.00 C ATOM 267 C PRO A 18 32.237 18.502 2.495 1.00 0.00 C ATOM 268 O PRO A 18 31.580 17.512 2.812 1.00 0.00 O ATOM 269 CB PRO A 18 34.146 19.612 3.687 1.00 0.00 C ATOM 270 CG PRO A 18 34.449 18.719 4.841 1.00 0.00 C ATOM 271 CD PRO A 18 33.276 18.836 5.774 1.00 0.00 C ATOM 0 HA PRO A 18 32.178 20.478 3.183 1.00 0.00 H new ATOM 0 HB2 PRO A 18 34.649 19.273 2.781 1.00 0.00 H new ATOM 0 HB3 PRO A 18 34.483 20.631 3.876 1.00 0.00 H new ATOM 0 HG2 PRO A 18 34.585 17.689 4.512 1.00 0.00 H new ATOM 0 HG3 PRO A 18 35.373 19.020 5.335 1.00 0.00 H new ATOM 0 HD2 PRO A 18 33.085 17.900 6.299 1.00 0.00 H new ATOM 0 HD3 PRO A 18 33.442 19.599 6.534 1.00 0.00 H new ATOM 279 N ASN A 19 32.650 18.729 1.252 1.00 0.00 N ATOM 280 CA ASN A 19 32.346 17.805 0.165 1.00 0.00 C ATOM 281 C ASN A 19 30.841 17.719 -0.071 1.00 0.00 C ATOM 282 O ASN A 19 30.328 16.688 -0.504 1.00 0.00 O ATOM 283 CB ASN A 19 32.904 16.415 0.478 1.00 0.00 C ATOM 284 CG ASN A 19 34.347 16.463 0.942 1.00 0.00 C ATOM 285 OD1 ASN A 19 35.271 16.500 0.129 1.00 0.00 O ATOM 286 ND2 ASN A 19 34.547 16.463 2.255 1.00 0.00 N ATOM 0 H ASN A 19 33.196 19.544 0.973 1.00 0.00 H new ATOM 0 HA ASN A 19 32.818 18.183 -0.742 1.00 0.00 H new ATOM 0 HB2 ASN A 19 32.293 15.946 1.249 1.00 0.00 H new ATOM 0 HB3 ASN A 19 32.832 15.789 -0.411 1.00 0.00 H new ATOM 0 HD21 ASN A 19 35.497 16.495 2.626 1.00 0.00 H new ATOM 0 HD22 ASN A 19 33.751 16.431 2.892 1.00 0.00 H new ATOM 293 N ALA A 20 30.139 18.811 0.217 1.00 0.00 N ATOM 294 CA ALA A 20 28.694 18.860 0.034 1.00 0.00 C ATOM 295 C ALA A 20 27.990 17.869 0.954 1.00 0.00 C ATOM 296 O ALA A 20 27.026 17.214 0.557 1.00 0.00 O ATOM 297 CB ALA A 20 28.336 18.581 -1.418 1.00 0.00 C ATOM 0 H ALA A 20 30.548 19.673 0.578 1.00 0.00 H new ATOM 0 HA ALA A 20 28.354 19.862 0.295 1.00 0.00 H new ATOM 0 HB1 ALA A 20 27.254 18.621 -1.540 1.00 0.00 H new ATOM 0 HB2 ALA A 20 28.801 19.331 -2.058 1.00 0.00 H new ATOM 0 HB3 ALA A 20 28.696 17.591 -1.698 1.00 0.00 H new ATOM 303 N THR A 21 28.478 17.763 2.186 1.00 0.00 N ATOM 304 CA THR A 21 27.897 16.850 3.163 1.00 0.00 C ATOM 305 C THR A 21 27.180 17.613 4.271 1.00 0.00 C ATOM 306 O THR A 21 27.448 18.793 4.499 1.00 0.00 O ATOM 307 CB THR A 21 28.971 15.942 3.792 1.00 0.00 C ATOM 308 OG1 THR A 21 29.905 15.522 2.791 1.00 0.00 O ATOM 309 CG2 THR A 21 28.335 14.723 4.443 1.00 0.00 C ATOM 0 H THR A 21 29.275 18.298 2.531 1.00 0.00 H new ATOM 0 HA THR A 21 27.177 16.231 2.628 1.00 0.00 H new ATOM 0 HB THR A 21 29.494 16.513 4.559 1.00 0.00 H new ATOM 0 HG1 THR A 21 30.532 16.251 2.602 1.00 0.00 H new ATOM 0 HG21 THR A 21 29.113 14.097 4.880 1.00 0.00 H new ATOM 0 HG22 THR A 21 27.647 15.045 5.224 1.00 0.00 H new ATOM 0 HG23 THR A 21 27.789 14.152 3.692 1.00 0.00 H new ATOM 317 N PHE A 22 26.268 16.933 4.957 1.00 0.00 N ATOM 318 CA PHE A 22 25.512 17.548 6.042 1.00 0.00 C ATOM 319 C PHE A 22 25.029 16.494 7.033 1.00 0.00 C ATOM 320 O PHE A 22 24.868 15.324 6.684 1.00 0.00 O ATOM 321 CB PHE A 22 24.317 18.324 5.483 1.00 0.00 C ATOM 322 CG PHE A 22 24.693 19.642 4.868 1.00 0.00 C ATOM 323 CD1 PHE A 22 24.846 20.771 5.657 1.00 0.00 C ATOM 324 CD2 PHE A 22 24.895 19.752 3.502 1.00 0.00 C ATOM 325 CE1 PHE A 22 25.191 21.985 5.094 1.00 0.00 C ATOM 326 CE2 PHE A 22 25.241 20.963 2.933 1.00 0.00 C ATOM 327 CZ PHE A 22 25.390 22.081 3.730 1.00 0.00 C ATOM 0 H PHE A 22 26.034 15.956 4.781 1.00 0.00 H new ATOM 0 HA PHE A 22 26.172 18.239 6.566 1.00 0.00 H new ATOM 0 HB2 PHE A 22 23.815 17.712 4.733 1.00 0.00 H new ATOM 0 HB3 PHE A 22 23.599 18.498 6.285 1.00 0.00 H new ATOM 0 HD1 PHE A 22 24.694 20.701 6.724 1.00 0.00 H new ATOM 0 HD2 PHE A 22 24.781 18.881 2.874 1.00 0.00 H new ATOM 0 HE1 PHE A 22 25.305 22.858 5.720 1.00 0.00 H new ATOM 0 HE2 PHE A 22 25.395 21.035 1.866 1.00 0.00 H new ATOM 0 HZ PHE A 22 25.661 23.028 3.288 1.00 0.00 H new ATOM 337 N ARG A 23 24.799 16.917 8.272 1.00 0.00 N ATOM 338 CA ARG A 23 24.336 16.010 9.316 1.00 0.00 C ATOM 339 C ARG A 23 23.018 16.494 9.912 1.00 0.00 C ATOM 340 O ARG A 23 22.979 17.493 10.631 1.00 0.00 O ATOM 341 CB ARG A 23 25.390 15.884 10.417 1.00 0.00 C ATOM 342 CG ARG A 23 26.665 15.192 9.963 1.00 0.00 C ATOM 343 CD ARG A 23 26.621 13.700 10.252 1.00 0.00 C ATOM 344 NE ARG A 23 27.925 13.068 10.066 1.00 0.00 N ATOM 345 CZ ARG A 23 28.901 13.118 10.965 1.00 0.00 C ATOM 346 NH1 ARG A 23 28.722 13.768 12.107 1.00 0.00 N ATOM 347 NH2 ARG A 23 30.059 12.518 10.723 1.00 0.00 N ATOM 0 H ARG A 23 24.926 17.882 8.577 1.00 0.00 H new ATOM 0 HA ARG A 23 24.173 15.031 8.865 1.00 0.00 H new ATOM 0 HB2 ARG A 23 25.638 16.879 10.786 1.00 0.00 H new ATOM 0 HB3 ARG A 23 24.964 15.331 11.254 1.00 0.00 H new ATOM 0 HG2 ARG A 23 26.807 15.353 8.894 1.00 0.00 H new ATOM 0 HG3 ARG A 23 27.522 15.637 10.469 1.00 0.00 H new ATOM 0 HD2 ARG A 23 26.283 13.539 11.276 1.00 0.00 H new ATOM 0 HD3 ARG A 23 25.891 13.225 9.596 1.00 0.00 H new ATOM 0 HE ARG A 23 28.095 12.560 9.198 1.00 0.00 H new ATOM 0 HH11 ARG A 23 27.833 14.231 12.296 1.00 0.00 H new ATOM 0 HH12 ARG A 23 29.473 13.805 12.796 1.00 0.00 H new ATOM 0 HH21 ARG A 23 30.201 12.018 9.846 1.00 0.00 H new ATOM 0 HH22 ARG A 23 30.808 12.557 11.414 1.00 0.00 H new ATOM 361 N VAL A 24 21.938 15.780 9.608 1.00 0.00 N ATOM 362 CA VAL A 24 20.618 16.137 10.113 1.00 0.00 C ATOM 363 C VAL A 24 20.202 15.219 11.257 1.00 0.00 C ATOM 364 O VAL A 24 20.438 14.011 11.217 1.00 0.00 O ATOM 365 CB VAL A 24 19.554 16.069 9.002 1.00 0.00 C ATOM 366 CG1 VAL A 24 18.180 16.414 9.556 1.00 0.00 C ATOM 367 CG2 VAL A 24 19.924 16.997 7.854 1.00 0.00 C ATOM 0 H VAL A 24 21.952 14.951 9.014 1.00 0.00 H new ATOM 0 HA VAL A 24 20.685 17.162 10.478 1.00 0.00 H new ATOM 0 HB VAL A 24 19.518 15.049 8.618 1.00 0.00 H new ATOM 0 HG11 VAL A 24 17.441 16.361 8.756 1.00 0.00 H new ATOM 0 HG12 VAL A 24 17.916 15.706 10.342 1.00 0.00 H new ATOM 0 HG13 VAL A 24 18.197 17.423 9.968 1.00 0.00 H new ATOM 0 HG21 VAL A 24 19.162 16.937 7.077 1.00 0.00 H new ATOM 0 HG22 VAL A 24 19.988 18.021 8.221 1.00 0.00 H new ATOM 0 HG23 VAL A 24 20.887 16.698 7.441 1.00 0.00 H new ATOM 377 N LYS A 25 19.580 15.800 12.278 1.00 0.00 N ATOM 378 CA LYS A 25 19.127 15.035 13.434 1.00 0.00 C ATOM 379 C LYS A 25 17.631 14.751 13.347 1.00 0.00 C ATOM 380 O LYS A 25 16.816 15.673 13.288 1.00 0.00 O ATOM 381 CB LYS A 25 19.439 15.794 14.726 1.00 0.00 C ATOM 382 CG LYS A 25 20.559 15.171 15.542 1.00 0.00 C ATOM 383 CD LYS A 25 20.015 14.340 16.692 1.00 0.00 C ATOM 384 CE LYS A 25 19.403 15.218 17.773 1.00 0.00 C ATOM 385 NZ LYS A 25 20.392 16.180 18.333 1.00 0.00 N ATOM 0 H LYS A 25 19.378 16.799 12.328 1.00 0.00 H new ATOM 0 HA LYS A 25 19.659 14.084 13.440 1.00 0.00 H new ATOM 0 HB2 LYS A 25 19.709 16.821 14.478 1.00 0.00 H new ATOM 0 HB3 LYS A 25 18.538 15.840 15.337 1.00 0.00 H new ATOM 0 HG2 LYS A 25 21.174 14.543 14.897 1.00 0.00 H new ATOM 0 HG3 LYS A 25 21.206 15.956 15.933 1.00 0.00 H new ATOM 0 HD2 LYS A 25 19.263 13.646 16.317 1.00 0.00 H new ATOM 0 HD3 LYS A 25 20.818 13.740 17.120 1.00 0.00 H new ATOM 0 HE2 LYS A 25 18.557 15.767 17.359 1.00 0.00 H new ATOM 0 HE3 LYS A 25 19.014 14.590 18.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 20.057 16.526 19.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 21.309 15.704 18.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 20.502 16.983 17.681 1.00 0.00 H new ATOM 399 N LEU A 26 17.276 13.471 13.340 1.00 0.00 N ATOM 400 CA LEU A 26 15.877 13.065 13.262 1.00 0.00 C ATOM 401 C LEU A 26 15.142 13.393 14.557 1.00 0.00 C ATOM 402 O LEU A 26 15.483 14.351 15.250 1.00 0.00 O ATOM 403 CB LEU A 26 15.776 11.567 12.970 1.00 0.00 C ATOM 404 CG LEU A 26 16.771 11.014 11.949 1.00 0.00 C ATOM 405 CD1 LEU A 26 16.555 9.522 11.748 1.00 0.00 C ATOM 406 CD2 LEU A 26 16.645 11.755 10.626 1.00 0.00 C ATOM 0 H LEU A 26 17.938 12.696 13.387 1.00 0.00 H new ATOM 0 HA LEU A 26 15.408 13.620 12.449 1.00 0.00 H new ATOM 0 HB2 LEU A 26 15.908 11.025 13.906 1.00 0.00 H new ATOM 0 HB3 LEU A 26 14.767 11.353 12.617 1.00 0.00 H new ATOM 0 HG LEU A 26 17.779 11.166 12.334 1.00 0.00 H new ATOM 0 HD11 LEU A 26 17.272 9.146 11.018 1.00 0.00 H new ATOM 0 HD12 LEU A 26 16.696 9.003 12.696 1.00 0.00 H new ATOM 0 HD13 LEU A 26 15.542 9.347 11.385 1.00 0.00 H new ATOM 0 HD21 LEU A 26 17.361 11.348 9.912 1.00 0.00 H new ATOM 0 HD22 LEU A 26 15.634 11.634 10.236 1.00 0.00 H new ATOM 0 HD23 LEU A 26 16.850 12.814 10.781 1.00 0.00 H new ATOM 418 N GLU A 27 14.133 12.589 14.879 1.00 0.00 N ATOM 419 CA GLU A 27 13.351 12.794 16.092 1.00 0.00 C ATOM 420 C GLU A 27 13.905 11.961 17.244 1.00 0.00 C ATOM 421 O GLU A 27 14.052 12.449 18.364 1.00 0.00 O ATOM 422 CB GLU A 27 11.884 12.434 15.847 1.00 0.00 C ATOM 423 CG GLU A 27 11.122 13.487 15.061 1.00 0.00 C ATOM 424 CD GLU A 27 10.806 14.718 15.888 1.00 0.00 C ATOM 425 OE1 GLU A 27 11.724 15.533 16.115 1.00 0.00 O ATOM 426 OE2 GLU A 27 9.639 14.866 16.308 1.00 0.00 O ATOM 0 H GLU A 27 13.839 11.790 14.317 1.00 0.00 H new ATOM 0 HA GLU A 27 13.419 13.848 16.363 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.836 11.487 15.310 1.00 0.00 H new ATOM 0 HB3 GLU A 27 11.391 12.282 16.807 1.00 0.00 H new ATOM 0 HG2 GLU A 27 11.708 13.780 14.190 1.00 0.00 H new ATOM 0 HG3 GLU A 27 10.193 13.055 14.689 1.00 0.00 H new ATOM 433 N ASN A 28 14.211 10.699 16.960 1.00 0.00 N ATOM 434 CA ASN A 28 14.748 9.796 17.972 1.00 0.00 C ATOM 435 C ASN A 28 16.113 10.273 18.457 1.00 0.00 C ATOM 436 O ASN A 28 16.598 9.842 19.502 1.00 0.00 O ATOM 437 CB ASN A 28 14.861 8.377 17.410 1.00 0.00 C ATOM 438 CG ASN A 28 13.524 7.826 16.956 1.00 0.00 C ATOM 439 OD1 ASN A 28 13.312 7.581 15.768 1.00 0.00 O ATOM 440 ND2 ASN A 28 12.612 7.630 17.902 1.00 0.00 N ATOM 0 H ASN A 28 14.096 10.279 16.038 1.00 0.00 H new ATOM 0 HA ASN A 28 14.063 9.791 18.820 1.00 0.00 H new ATOM 0 HB2 ASN A 28 15.555 8.376 16.570 1.00 0.00 H new ATOM 0 HB3 ASN A 28 15.282 7.720 18.171 1.00 0.00 H new ATOM 0 HD21 ASN A 28 11.693 7.263 17.656 1.00 0.00 H new ATOM 0 HD22 ASN A 28 12.831 7.847 18.874 1.00 0.00 H new ATOM 447 N GLY A 29 16.728 11.169 17.690 1.00 0.00 N ATOM 448 CA GLY A 29 18.031 11.691 18.059 1.00 0.00 C ATOM 449 C GLY A 29 19.141 11.156 17.175 1.00 0.00 C ATOM 450 O GLY A 29 20.304 11.529 17.333 1.00 0.00 O ATOM 0 H GLY A 29 16.347 11.542 16.820 1.00 0.00 H new ATOM 0 HA2 GLY A 29 18.014 12.779 17.997 1.00 0.00 H new ATOM 0 HA3 GLY A 29 18.241 11.434 19.097 1.00 0.00 H new ATOM 454 N HIS A 30 18.783 10.279 16.243 1.00 0.00 N ATOM 455 CA HIS A 30 19.758 9.691 15.331 1.00 0.00 C ATOM 456 C HIS A 30 20.272 10.732 14.342 1.00 0.00 C ATOM 457 O HIS A 30 19.503 11.535 13.813 1.00 0.00 O ATOM 458 CB HIS A 30 19.137 8.515 14.576 1.00 0.00 C ATOM 459 CG HIS A 30 18.684 7.402 15.470 1.00 0.00 C ATOM 460 ND1 HIS A 30 17.744 6.467 15.090 1.00 0.00 N ATOM 461 CD2 HIS A 30 19.048 7.075 16.732 1.00 0.00 C ATOM 462 CE1 HIS A 30 17.548 5.615 16.080 1.00 0.00 C ATOM 463 NE2 HIS A 30 18.329 5.961 17.088 1.00 0.00 N ATOM 0 H HIS A 30 17.825 9.960 16.099 1.00 0.00 H new ATOM 0 HA HIS A 30 20.600 9.329 15.921 1.00 0.00 H new ATOM 0 HB2 HIS A 30 18.286 8.874 13.997 1.00 0.00 H new ATOM 0 HB3 HIS A 30 19.865 8.125 13.865 1.00 0.00 H new ATOM 0 HD2 HIS A 30 19.770 7.594 17.345 1.00 0.00 H new ATOM 0 HE1 HIS A 30 16.866 4.778 16.068 1.00 0.00 H new ATOM 0 HE2 HIS A 30 18.388 5.479 17.985 1.00 0.00 H new ATOM 471 N VAL A 31 21.579 10.712 14.096 1.00 0.00 N ATOM 472 CA VAL A 31 22.196 11.654 13.170 1.00 0.00 C ATOM 473 C VAL A 31 22.442 11.007 11.811 1.00 0.00 C ATOM 474 O VAL A 31 23.141 9.999 11.708 1.00 0.00 O ATOM 475 CB VAL A 31 23.531 12.189 13.720 1.00 0.00 C ATOM 476 CG1 VAL A 31 23.293 13.071 14.936 1.00 0.00 C ATOM 477 CG2 VAL A 31 24.466 11.038 14.062 1.00 0.00 C ATOM 0 H VAL A 31 22.230 10.054 14.525 1.00 0.00 H new ATOM 0 HA VAL A 31 21.500 12.485 13.054 1.00 0.00 H new ATOM 0 HB VAL A 31 24.005 12.795 12.948 1.00 0.00 H new ATOM 0 HG11 VAL A 31 24.248 13.440 15.311 1.00 0.00 H new ATOM 0 HG12 VAL A 31 22.663 13.915 14.656 1.00 0.00 H new ATOM 0 HG13 VAL A 31 22.797 12.491 15.715 1.00 0.00 H new ATOM 0 HG21 VAL A 31 25.405 11.434 14.449 1.00 0.00 H new ATOM 0 HG22 VAL A 31 24.001 10.404 14.817 1.00 0.00 H new ATOM 0 HG23 VAL A 31 24.663 10.450 13.165 1.00 0.00 H new ATOM 487 N VAL A 32 21.862 11.594 10.769 1.00 0.00 N ATOM 488 CA VAL A 32 22.019 11.077 9.415 1.00 0.00 C ATOM 489 C VAL A 32 23.019 11.909 8.620 1.00 0.00 C ATOM 490 O VAL A 32 22.939 13.138 8.595 1.00 0.00 O ATOM 491 CB VAL A 32 20.674 11.054 8.663 1.00 0.00 C ATOM 492 CG1 VAL A 32 19.668 10.180 9.395 1.00 0.00 C ATOM 493 CG2 VAL A 32 20.138 12.467 8.489 1.00 0.00 C ATOM 0 H VAL A 32 21.279 12.428 10.837 1.00 0.00 H new ATOM 0 HA VAL A 32 22.393 10.057 9.508 1.00 0.00 H new ATOM 0 HB VAL A 32 20.837 10.627 7.674 1.00 0.00 H new ATOM 0 HG11 VAL A 32 18.724 10.176 8.849 1.00 0.00 H new ATOM 0 HG12 VAL A 32 20.052 9.162 9.463 1.00 0.00 H new ATOM 0 HG13 VAL A 32 19.505 10.574 10.398 1.00 0.00 H new ATOM 0 HG21 VAL A 32 19.188 12.433 7.956 1.00 0.00 H new ATOM 0 HG22 VAL A 32 19.989 12.923 9.468 1.00 0.00 H new ATOM 0 HG23 VAL A 32 20.853 13.060 7.918 1.00 0.00 H new ATOM 503 N LEU A 33 23.961 11.233 7.972 1.00 0.00 N ATOM 504 CA LEU A 33 24.978 11.910 7.175 1.00 0.00 C ATOM 505 C LEU A 33 24.780 11.630 5.689 1.00 0.00 C ATOM 506 O LEU A 33 24.524 10.495 5.289 1.00 0.00 O ATOM 507 CB LEU A 33 26.375 11.463 7.609 1.00 0.00 C ATOM 508 CG LEU A 33 26.793 10.057 7.178 1.00 0.00 C ATOM 509 CD1 LEU A 33 27.481 10.097 5.822 1.00 0.00 C ATOM 510 CD2 LEU A 33 27.705 9.428 8.222 1.00 0.00 C ATOM 0 H LEU A 33 24.042 10.216 7.983 1.00 0.00 H new ATOM 0 HA LEU A 33 24.880 12.983 7.340 1.00 0.00 H new ATOM 0 HB2 LEU A 33 27.101 12.173 7.214 1.00 0.00 H new ATOM 0 HB3 LEU A 33 26.432 11.520 8.696 1.00 0.00 H new ATOM 0 HG LEU A 33 25.897 9.443 7.090 1.00 0.00 H new ATOM 0 HD11 LEU A 33 27.771 9.087 5.531 1.00 0.00 H new ATOM 0 HD12 LEU A 33 26.797 10.506 5.079 1.00 0.00 H new ATOM 0 HD13 LEU A 33 28.369 10.727 5.883 1.00 0.00 H new ATOM 0 HD21 LEU A 33 27.993 8.428 7.899 1.00 0.00 H new ATOM 0 HD22 LEU A 33 28.598 10.041 8.342 1.00 0.00 H new ATOM 0 HD23 LEU A 33 27.178 9.364 9.174 1.00 0.00 H new ATOM 522 N GLY A 34 24.904 12.674 4.874 1.00 0.00 N ATOM 523 CA GLY A 34 24.738 12.519 3.441 1.00 0.00 C ATOM 524 C GLY A 34 24.917 13.824 2.692 1.00 0.00 C ATOM 525 O GLY A 34 25.504 14.773 3.214 1.00 0.00 O ATOM 0 H GLY A 34 25.116 13.623 5.181 1.00 0.00 H new ATOM 0 HA2 GLY A 34 25.459 11.790 3.072 1.00 0.00 H new ATOM 0 HA3 GLY A 34 23.746 12.118 3.235 1.00 0.00 H new ATOM 529 N HIS A 35 24.412 13.875 1.463 1.00 0.00 N ATOM 530 CA HIS A 35 24.521 15.074 0.640 1.00 0.00 C ATOM 531 C HIS A 35 23.146 15.531 0.162 1.00 0.00 C ATOM 532 O HIS A 35 22.254 14.714 -0.066 1.00 0.00 O ATOM 533 CB HIS A 35 25.431 14.814 -0.561 1.00 0.00 C ATOM 534 CG HIS A 35 24.906 13.766 -1.494 1.00 0.00 C ATOM 535 ND1 HIS A 35 24.882 12.423 -1.181 1.00 0.00 N ATOM 536 CD2 HIS A 35 24.381 13.871 -2.737 1.00 0.00 C ATOM 537 CE1 HIS A 35 24.367 11.747 -2.192 1.00 0.00 C ATOM 538 NE2 HIS A 35 24.054 12.602 -3.149 1.00 0.00 N ATOM 0 H HIS A 35 23.923 13.100 1.015 1.00 0.00 H new ATOM 0 HA HIS A 35 24.956 15.865 1.250 1.00 0.00 H new ATOM 0 HB2 HIS A 35 25.566 15.745 -1.112 1.00 0.00 H new ATOM 0 HB3 HIS A 35 26.414 14.510 -0.202 1.00 0.00 H new ATOM 0 HD2 HIS A 35 24.245 14.782 -3.300 1.00 0.00 H new ATOM 0 HE1 HIS A 35 24.226 10.677 -2.230 1.00 0.00 H new ATOM 0 HE2 HIS A 35 23.637 12.359 -4.048 1.00 0.00 H new ATOM 546 N ILE A 36 22.982 16.842 0.014 1.00 0.00 N ATOM 547 CA ILE A 36 21.717 17.406 -0.437 1.00 0.00 C ATOM 548 C ILE A 36 21.683 17.537 -1.956 1.00 0.00 C ATOM 549 O ILE A 36 22.697 17.837 -2.586 1.00 0.00 O ATOM 550 CB ILE A 36 21.461 18.789 0.192 1.00 0.00 C ATOM 551 CG1 ILE A 36 20.062 19.288 -0.173 1.00 0.00 C ATOM 552 CG2 ILE A 36 22.519 19.782 -0.265 1.00 0.00 C ATOM 553 CD1 ILE A 36 20.035 20.166 -1.405 1.00 0.00 C ATOM 0 H ILE A 36 23.710 17.532 0.200 1.00 0.00 H new ATOM 0 HA ILE A 36 20.934 16.719 -0.117 1.00 0.00 H new ATOM 0 HB ILE A 36 21.522 18.696 1.276 1.00 0.00 H new ATOM 0 HG12 ILE A 36 19.410 18.430 -0.334 1.00 0.00 H new ATOM 0 HG13 ILE A 36 19.653 19.846 0.669 1.00 0.00 H new ATOM 0 HG21 ILE A 36 22.325 20.754 0.188 1.00 0.00 H new ATOM 0 HG22 ILE A 36 23.504 19.430 0.040 1.00 0.00 H new ATOM 0 HG23 ILE A 36 22.487 19.874 -1.351 1.00 0.00 H new ATOM 0 HD11 ILE A 36 19.011 20.483 -1.604 1.00 0.00 H new ATOM 0 HD12 ILE A 36 20.661 21.043 -1.240 1.00 0.00 H new ATOM 0 HD13 ILE A 36 20.414 19.605 -2.260 1.00 0.00 H new ATOM 565 N SER A 37 20.510 17.312 -2.538 1.00 0.00 N ATOM 566 CA SER A 37 20.344 17.403 -3.984 1.00 0.00 C ATOM 567 C SER A 37 19.370 18.519 -4.350 1.00 0.00 C ATOM 568 O SER A 37 18.453 18.831 -3.592 1.00 0.00 O ATOM 569 CB SER A 37 19.844 16.070 -4.546 1.00 0.00 C ATOM 570 OG SER A 37 18.514 15.810 -4.134 1.00 0.00 O ATOM 0 H SER A 37 19.660 17.065 -2.031 1.00 0.00 H new ATOM 0 HA SER A 37 21.315 17.633 -4.423 1.00 0.00 H new ATOM 0 HB2 SER A 37 19.894 16.089 -5.635 1.00 0.00 H new ATOM 0 HB3 SER A 37 20.496 15.263 -4.211 1.00 0.00 H new ATOM 0 HG SER A 37 18.217 14.954 -4.507 1.00 0.00 H new ATOM 576 N GLY A 38 19.577 19.116 -5.520 1.00 0.00 N ATOM 577 CA GLY A 38 18.711 20.191 -5.968 1.00 0.00 C ATOM 578 C GLY A 38 19.485 21.343 -6.579 1.00 0.00 C ATOM 579 O GLY A 38 20.696 21.251 -6.777 1.00 0.00 O ATOM 0 H GLY A 38 20.329 18.874 -6.165 1.00 0.00 H new ATOM 0 HA2 GLY A 38 18.004 19.802 -6.701 1.00 0.00 H new ATOM 0 HA3 GLY A 38 18.126 20.557 -5.125 1.00 0.00 H new ATOM 583 N LYS A 39 18.784 22.430 -6.881 1.00 0.00 N ATOM 584 CA LYS A 39 19.411 23.605 -7.474 1.00 0.00 C ATOM 585 C LYS A 39 19.918 24.555 -6.393 1.00 0.00 C ATOM 586 O LYS A 39 20.825 25.352 -6.631 1.00 0.00 O ATOM 587 CB LYS A 39 18.419 24.333 -8.384 1.00 0.00 C ATOM 588 CG LYS A 39 18.213 23.654 -9.726 1.00 0.00 C ATOM 589 CD LYS A 39 17.335 24.487 -10.645 1.00 0.00 C ATOM 590 CE LYS A 39 16.637 23.623 -11.684 1.00 0.00 C ATOM 591 NZ LYS A 39 15.478 24.325 -12.300 1.00 0.00 N ATOM 0 H LYS A 39 17.780 22.522 -6.725 1.00 0.00 H new ATOM 0 HA LYS A 39 20.262 23.272 -8.068 1.00 0.00 H new ATOM 0 HB2 LYS A 39 17.459 24.409 -7.874 1.00 0.00 H new ATOM 0 HB3 LYS A 39 18.772 25.351 -8.552 1.00 0.00 H new ATOM 0 HG2 LYS A 39 19.179 23.484 -10.201 1.00 0.00 H new ATOM 0 HG3 LYS A 39 17.756 22.676 -9.573 1.00 0.00 H new ATOM 0 HD2 LYS A 39 16.590 25.020 -10.054 1.00 0.00 H new ATOM 0 HD3 LYS A 39 17.943 25.240 -11.146 1.00 0.00 H new ATOM 0 HE2 LYS A 39 17.348 23.344 -12.462 1.00 0.00 H new ATOM 0 HE3 LYS A 39 16.296 22.699 -11.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 15.029 23.703 -13.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 14.787 24.569 -11.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 15.807 25.194 -12.767 1.00 0.00 H new ATOM 605 N MET A 40 19.327 24.464 -5.207 1.00 0.00 N ATOM 606 CA MET A 40 19.721 25.314 -4.089 1.00 0.00 C ATOM 607 C MET A 40 21.218 25.199 -3.821 1.00 0.00 C ATOM 608 O MET A 40 21.822 26.091 -3.225 1.00 0.00 O ATOM 609 CB MET A 40 18.935 24.938 -2.832 1.00 0.00 C ATOM 610 CG MET A 40 19.395 23.636 -2.195 1.00 0.00 C ATOM 611 SD MET A 40 18.394 23.169 -0.770 1.00 0.00 S ATOM 612 CE MET A 40 19.646 23.077 0.508 1.00 0.00 C ATOM 0 H MET A 40 18.573 23.810 -4.995 1.00 0.00 H new ATOM 0 HA MET A 40 19.495 26.347 -4.353 1.00 0.00 H new ATOM 0 HB2 MET A 40 19.026 25.742 -2.102 1.00 0.00 H new ATOM 0 HB3 MET A 40 17.878 24.856 -3.085 1.00 0.00 H new ATOM 0 HG2 MET A 40 19.357 22.839 -2.938 1.00 0.00 H new ATOM 0 HG3 MET A 40 20.436 23.735 -1.886 1.00 0.00 H new ATOM 0 HE1 MET A 40 19.498 22.172 1.097 1.00 0.00 H new ATOM 0 HE2 MET A 40 20.634 23.054 0.048 1.00 0.00 H new ATOM 0 HE3 MET A 40 19.568 23.949 1.157 1.00 0.00 H new ATOM 622 N ARG A 41 21.811 24.095 -4.264 1.00 0.00 N ATOM 623 CA ARG A 41 23.238 23.864 -4.070 1.00 0.00 C ATOM 624 C ARG A 41 24.053 24.550 -5.161 1.00 0.00 C ATOM 625 O ARG A 41 25.220 24.887 -4.959 1.00 0.00 O ATOM 626 CB ARG A 41 23.536 22.363 -4.063 1.00 0.00 C ATOM 627 CG ARG A 41 23.482 21.725 -5.441 1.00 0.00 C ATOM 628 CD ARG A 41 23.226 20.229 -5.353 1.00 0.00 C ATOM 629 NE ARG A 41 24.432 19.450 -5.624 1.00 0.00 N ATOM 630 CZ ARG A 41 24.414 18.176 -6.001 1.00 0.00 C ATOM 631 NH1 ARG A 41 23.260 17.542 -6.151 1.00 0.00 N ATOM 632 NH2 ARG A 41 25.553 17.535 -6.229 1.00 0.00 N ATOM 0 H ARG A 41 21.326 23.347 -4.759 1.00 0.00 H new ATOM 0 HA ARG A 41 23.522 24.289 -3.107 1.00 0.00 H new ATOM 0 HB2 ARG A 41 24.525 22.200 -3.635 1.00 0.00 H new ATOM 0 HB3 ARG A 41 22.820 21.862 -3.412 1.00 0.00 H new ATOM 0 HG2 ARG A 41 22.695 22.196 -6.030 1.00 0.00 H new ATOM 0 HG3 ARG A 41 24.422 21.904 -5.963 1.00 0.00 H new ATOM 0 HD2 ARG A 41 22.851 19.983 -4.359 1.00 0.00 H new ATOM 0 HD3 ARG A 41 22.448 19.952 -6.064 1.00 0.00 H new ATOM 0 HE ARG A 41 25.337 19.909 -5.518 1.00 0.00 H new ATOM 0 HH11 ARG A 41 22.383 18.032 -5.977 1.00 0.00 H new ATOM 0 HH12 ARG A 41 23.249 16.564 -6.441 1.00 0.00 H new ATOM 0 HH21 ARG A 41 26.443 18.020 -6.115 1.00 0.00 H new ATOM 0 HH22 ARG A 41 25.539 16.557 -6.518 1.00 0.00 H new ATOM 646 N MET A 42 23.431 24.755 -6.318 1.00 0.00 N ATOM 647 CA MET A 42 24.100 25.402 -7.441 1.00 0.00 C ATOM 648 C MET A 42 24.114 26.917 -7.265 1.00 0.00 C ATOM 649 O MET A 42 24.936 27.613 -7.861 1.00 0.00 O ATOM 650 CB MET A 42 23.406 25.036 -8.754 1.00 0.00 C ATOM 651 CG MET A 42 23.803 23.670 -9.291 1.00 0.00 C ATOM 652 SD MET A 42 23.029 23.295 -10.876 1.00 0.00 S ATOM 653 CE MET A 42 22.317 21.688 -10.534 1.00 0.00 C ATOM 0 H MET A 42 22.465 24.483 -6.502 1.00 0.00 H new ATOM 0 HA MET A 42 25.130 25.048 -7.472 1.00 0.00 H new ATOM 0 HB2 MET A 42 22.327 25.059 -8.604 1.00 0.00 H new ATOM 0 HB3 MET A 42 23.639 25.793 -9.502 1.00 0.00 H new ATOM 0 HG2 MET A 42 24.887 23.628 -9.401 1.00 0.00 H new ATOM 0 HG3 MET A 42 23.527 22.905 -8.566 1.00 0.00 H new ATOM 0 HE1 MET A 42 21.802 21.322 -11.422 1.00 0.00 H new ATOM 0 HE2 MET A 42 23.108 20.990 -10.260 1.00 0.00 H new ATOM 0 HE3 MET A 42 21.607 21.772 -9.712 1.00 0.00 H new ATOM 663 N HIS A 43 23.200 27.422 -6.442 1.00 0.00 N ATOM 664 CA HIS A 43 23.108 28.855 -6.188 1.00 0.00 C ATOM 665 C HIS A 43 24.071 29.273 -5.081 1.00 0.00 C ATOM 666 O HIS A 43 24.241 30.462 -4.808 1.00 0.00 O ATOM 667 CB HIS A 43 21.678 29.236 -5.806 1.00 0.00 C ATOM 668 CG HIS A 43 20.800 29.525 -6.985 1.00 0.00 C ATOM 669 ND1 HIS A 43 20.844 28.794 -8.153 1.00 0.00 N ATOM 670 CD2 HIS A 43 19.849 30.471 -7.170 1.00 0.00 C ATOM 671 CE1 HIS A 43 19.960 29.279 -9.007 1.00 0.00 C ATOM 672 NE2 HIS A 43 19.343 30.297 -8.435 1.00 0.00 N ATOM 0 H HIS A 43 22.513 26.860 -5.940 1.00 0.00 H new ATOM 0 HA HIS A 43 23.384 29.380 -7.103 1.00 0.00 H new ATOM 0 HB2 HIS A 43 21.238 28.425 -5.225 1.00 0.00 H new ATOM 0 HB3 HIS A 43 21.705 30.113 -5.160 1.00 0.00 H new ATOM 0 HD2 HIS A 43 19.545 31.222 -6.456 1.00 0.00 H new ATOM 0 HE1 HIS A 43 19.774 28.906 -10.003 1.00 0.00 H new ATOM 0 HE2 HIS A 43 18.610 30.862 -8.863 1.00 0.00 H new ATOM 680 N TYR A 44 24.699 28.289 -4.447 1.00 0.00 N ATOM 681 CA TYR A 44 25.643 28.555 -3.368 1.00 0.00 C ATOM 682 C TYR A 44 24.945 29.221 -2.186 1.00 0.00 C ATOM 683 O TYR A 44 25.280 30.344 -1.806 1.00 0.00 O ATOM 684 CB TYR A 44 26.784 29.442 -3.867 1.00 0.00 C ATOM 685 CG TYR A 44 27.351 29.007 -5.200 1.00 0.00 C ATOM 686 CD1 TYR A 44 27.988 27.780 -5.339 1.00 0.00 C ATOM 687 CD2 TYR A 44 27.249 29.823 -6.320 1.00 0.00 C ATOM 688 CE1 TYR A 44 28.508 27.379 -6.554 1.00 0.00 C ATOM 689 CE2 TYR A 44 27.765 29.429 -7.540 1.00 0.00 C ATOM 690 CZ TYR A 44 28.394 28.207 -7.652 1.00 0.00 C ATOM 691 OH TYR A 44 28.909 27.810 -8.864 1.00 0.00 O ATOM 0 H TYR A 44 24.571 27.300 -4.662 1.00 0.00 H new ATOM 0 HA TYR A 44 26.053 27.602 -3.035 1.00 0.00 H new ATOM 0 HB2 TYR A 44 26.425 30.468 -3.952 1.00 0.00 H new ATOM 0 HB3 TYR A 44 27.583 29.444 -3.125 1.00 0.00 H new ATOM 0 HD1 TYR A 44 28.078 27.129 -4.482 1.00 0.00 H new ATOM 0 HD2 TYR A 44 26.758 30.781 -6.236 1.00 0.00 H new ATOM 0 HE1 TYR A 44 29.001 26.422 -6.644 1.00 0.00 H new ATOM 0 HE2 TYR A 44 27.676 30.075 -8.401 1.00 0.00 H new ATOM 0 HH TYR A 44 28.744 28.507 -9.533 1.00 0.00 H new ATOM 701 N ILE A 45 23.975 28.521 -1.609 1.00 0.00 N ATOM 702 CA ILE A 45 23.231 29.043 -0.469 1.00 0.00 C ATOM 703 C ILE A 45 24.089 29.048 0.791 1.00 0.00 C ATOM 704 O ILE A 45 25.266 28.691 0.755 1.00 0.00 O ATOM 705 CB ILE A 45 21.955 28.221 -0.206 1.00 0.00 C ATOM 706 CG1 ILE A 45 22.309 26.750 0.026 1.00 0.00 C ATOM 707 CG2 ILE A 45 20.985 28.361 -1.369 1.00 0.00 C ATOM 708 CD1 ILE A 45 21.133 25.909 0.472 1.00 0.00 C ATOM 0 H ILE A 45 23.686 27.591 -1.912 1.00 0.00 H new ATOM 0 HA ILE A 45 22.949 30.066 -0.717 1.00 0.00 H new ATOM 0 HB ILE A 45 21.472 28.605 0.692 1.00 0.00 H new ATOM 0 HG12 ILE A 45 22.715 26.333 -0.895 1.00 0.00 H new ATOM 0 HG13 ILE A 45 23.096 26.688 0.778 1.00 0.00 H new ATOM 0 HG21 ILE A 45 20.089 27.774 -1.168 1.00 0.00 H new ATOM 0 HG22 ILE A 45 20.713 29.409 -1.491 1.00 0.00 H new ATOM 0 HG23 ILE A 45 21.458 28.000 -2.282 1.00 0.00 H new ATOM 0 HD11 ILE A 45 21.457 24.878 0.617 1.00 0.00 H new ATOM 0 HD12 ILE A 45 20.740 26.301 1.410 1.00 0.00 H new ATOM 0 HD13 ILE A 45 20.354 25.940 -0.289 1.00 0.00 H new ATOM 720 N ARG A 46 23.490 29.453 1.906 1.00 0.00 N ATOM 721 CA ARG A 46 24.199 29.504 3.179 1.00 0.00 C ATOM 722 C ARG A 46 23.487 28.659 4.232 1.00 0.00 C ATOM 723 O ARG A 46 22.846 29.191 5.139 1.00 0.00 O ATOM 724 CB ARG A 46 24.316 30.950 3.664 1.00 0.00 C ATOM 725 CG ARG A 46 25.588 31.645 3.206 1.00 0.00 C ATOM 726 CD ARG A 46 26.078 32.648 4.239 1.00 0.00 C ATOM 727 NE ARG A 46 26.923 32.022 5.253 1.00 0.00 N ATOM 728 CZ ARG A 46 27.297 32.627 6.374 1.00 0.00 C ATOM 729 NH1 ARG A 46 26.903 33.868 6.624 1.00 0.00 N ATOM 730 NH2 ARG A 46 28.067 31.992 7.248 1.00 0.00 N ATOM 0 H ARG A 46 22.516 29.751 1.954 1.00 0.00 H new ATOM 0 HA ARG A 46 25.199 29.097 3.026 1.00 0.00 H new ATOM 0 HB2 ARG A 46 23.455 31.515 3.307 1.00 0.00 H new ATOM 0 HB3 ARG A 46 24.277 30.963 4.753 1.00 0.00 H new ATOM 0 HG2 ARG A 46 26.364 30.902 3.022 1.00 0.00 H new ATOM 0 HG3 ARG A 46 25.405 32.155 2.260 1.00 0.00 H new ATOM 0 HD2 ARG A 46 26.637 33.439 3.739 1.00 0.00 H new ATOM 0 HD3 ARG A 46 25.222 33.119 4.721 1.00 0.00 H new ATOM 0 HE ARG A 46 27.243 31.067 5.091 1.00 0.00 H new ATOM 0 HH11 ARG A 46 26.311 34.360 5.954 1.00 0.00 H new ATOM 0 HH12 ARG A 46 27.192 34.331 7.486 1.00 0.00 H new ATOM 0 HH21 ARG A 46 28.373 31.037 7.059 1.00 0.00 H new ATOM 0 HH22 ARG A 46 28.353 32.458 8.109 1.00 0.00 H new ATOM 744 N ILE A 47 23.604 27.342 4.104 1.00 0.00 N ATOM 745 CA ILE A 47 22.972 26.425 5.045 1.00 0.00 C ATOM 746 C ILE A 47 23.601 26.538 6.429 1.00 0.00 C ATOM 747 O ILE A 47 24.795 26.811 6.561 1.00 0.00 O ATOM 748 CB ILE A 47 23.077 24.965 4.564 1.00 0.00 C ATOM 749 CG1 ILE A 47 22.552 24.838 3.132 1.00 0.00 C ATOM 750 CG2 ILE A 47 22.309 24.043 5.499 1.00 0.00 C ATOM 751 CD1 ILE A 47 22.780 23.472 2.524 1.00 0.00 C ATOM 0 H ILE A 47 24.130 26.886 3.359 1.00 0.00 H new ATOM 0 HA ILE A 47 21.920 26.706 5.102 1.00 0.00 H new ATOM 0 HB ILE A 47 24.126 24.669 4.574 1.00 0.00 H new ATOM 0 HG12 ILE A 47 21.484 25.057 3.124 1.00 0.00 H new ATOM 0 HG13 ILE A 47 23.036 25.590 2.508 1.00 0.00 H new ATOM 0 HG21 ILE A 47 22.393 23.015 5.146 1.00 0.00 H new ATOM 0 HG22 ILE A 47 22.724 24.116 6.504 1.00 0.00 H new ATOM 0 HG23 ILE A 47 21.259 24.336 5.518 1.00 0.00 H new ATOM 0 HD11 ILE A 47 22.383 23.455 1.509 1.00 0.00 H new ATOM 0 HD12 ILE A 47 23.849 23.258 2.499 1.00 0.00 H new ATOM 0 HD13 ILE A 47 22.273 22.717 3.125 1.00 0.00 H new ATOM 763 N LEU A 48 22.790 26.325 7.460 1.00 0.00 N ATOM 764 CA LEU A 48 23.267 26.401 8.837 1.00 0.00 C ATOM 765 C LEU A 48 22.456 25.483 9.745 1.00 0.00 C ATOM 766 O LEU A 48 21.342 25.071 9.418 1.00 0.00 O ATOM 767 CB LEU A 48 23.187 27.841 9.346 1.00 0.00 C ATOM 768 CG LEU A 48 24.444 28.691 9.155 1.00 0.00 C ATOM 769 CD1 LEU A 48 24.386 29.440 7.833 1.00 0.00 C ATOM 770 CD2 LEU A 48 24.611 29.663 10.314 1.00 0.00 C ATOM 0 H LEU A 48 21.800 26.098 7.369 1.00 0.00 H new ATOM 0 HA LEU A 48 24.306 26.073 8.854 1.00 0.00 H new ATOM 0 HB2 LEU A 48 22.357 28.337 8.843 1.00 0.00 H new ATOM 0 HB3 LEU A 48 22.947 27.817 10.409 1.00 0.00 H new ATOM 0 HG LEU A 48 25.309 28.028 9.135 1.00 0.00 H new ATOM 0 HD11 LEU A 48 25.289 30.039 7.714 1.00 0.00 H new ATOM 0 HD12 LEU A 48 24.315 28.726 7.013 1.00 0.00 H new ATOM 0 HD13 LEU A 48 23.513 30.093 7.823 1.00 0.00 H new ATOM 0 HD21 LEU A 48 25.510 30.260 10.162 1.00 0.00 H new ATOM 0 HD22 LEU A 48 23.743 30.321 10.365 1.00 0.00 H new ATOM 0 HD23 LEU A 48 24.699 29.106 11.247 1.00 0.00 H new ATOM 782 N PRO A 49 23.024 25.155 10.915 1.00 0.00 N ATOM 783 CA PRO A 49 22.370 24.284 11.896 1.00 0.00 C ATOM 784 C PRO A 49 21.169 24.953 12.556 1.00 0.00 C ATOM 785 O PRO A 49 21.217 26.132 12.906 1.00 0.00 O ATOM 786 CB PRO A 49 23.470 24.023 12.928 1.00 0.00 C ATOM 787 CG PRO A 49 24.381 25.197 12.816 1.00 0.00 C ATOM 788 CD PRO A 49 24.349 25.609 11.370 1.00 0.00 C ATOM 0 HA PRO A 49 21.974 23.378 11.436 1.00 0.00 H new ATOM 0 HB2 PRO A 49 23.057 23.937 13.933 1.00 0.00 H new ATOM 0 HB3 PRO A 49 23.997 23.092 12.718 1.00 0.00 H new ATOM 0 HG2 PRO A 49 24.050 26.011 13.461 1.00 0.00 H new ATOM 0 HG3 PRO A 49 25.393 24.937 13.125 1.00 0.00 H new ATOM 0 HD2 PRO A 49 24.465 26.687 11.257 1.00 0.00 H new ATOM 0 HD3 PRO A 49 25.152 25.140 10.801 1.00 0.00 H new ATOM 796 N GLY A 50 20.091 24.193 12.723 1.00 0.00 N ATOM 797 CA GLY A 50 18.892 24.730 13.340 1.00 0.00 C ATOM 798 C GLY A 50 17.744 24.860 12.360 1.00 0.00 C ATOM 799 O GLY A 50 16.719 25.468 12.671 1.00 0.00 O ATOM 0 H GLY A 50 20.027 23.215 12.442 1.00 0.00 H new ATOM 0 HA2 GLY A 50 18.591 24.083 14.164 1.00 0.00 H new ATOM 0 HA3 GLY A 50 19.114 25.708 13.767 1.00 0.00 H new ATOM 803 N ASP A 51 17.914 24.290 11.172 1.00 0.00 N ATOM 804 CA ASP A 51 16.883 24.345 10.142 1.00 0.00 C ATOM 805 C ASP A 51 16.226 22.981 9.957 1.00 0.00 C ATOM 806 O ASP A 51 16.905 21.956 9.892 1.00 0.00 O ATOM 807 CB ASP A 51 17.481 24.821 8.817 1.00 0.00 C ATOM 808 CG ASP A 51 16.423 25.310 7.847 1.00 0.00 C ATOM 809 OD1 ASP A 51 15.538 26.081 8.274 1.00 0.00 O ATOM 810 OD2 ASP A 51 16.481 24.923 6.662 1.00 0.00 O ATOM 0 H ASP A 51 18.756 23.784 10.898 1.00 0.00 H new ATOM 0 HA ASP A 51 16.121 25.055 10.463 1.00 0.00 H new ATOM 0 HB2 ASP A 51 18.192 25.624 9.010 1.00 0.00 H new ATOM 0 HB3 ASP A 51 18.040 24.004 8.360 1.00 0.00 H new ATOM 815 N LYS A 52 14.900 22.975 9.875 1.00 0.00 N ATOM 816 CA LYS A 52 14.149 21.738 9.697 1.00 0.00 C ATOM 817 C LYS A 52 14.163 21.298 8.237 1.00 0.00 C ATOM 818 O LYS A 52 13.746 22.043 7.350 1.00 0.00 O ATOM 819 CB LYS A 52 12.706 21.920 10.173 1.00 0.00 C ATOM 820 CG LYS A 52 11.955 20.612 10.351 1.00 0.00 C ATOM 821 CD LYS A 52 11.957 20.161 11.802 1.00 0.00 C ATOM 822 CE LYS A 52 13.005 19.087 12.051 1.00 0.00 C ATOM 823 NZ LYS A 52 12.955 18.577 13.449 1.00 0.00 N ATOM 0 H LYS A 52 14.323 23.814 9.929 1.00 0.00 H new ATOM 0 HA LYS A 52 14.627 20.963 10.296 1.00 0.00 H new ATOM 0 HB2 LYS A 52 12.710 22.459 11.120 1.00 0.00 H new ATOM 0 HB3 LYS A 52 12.171 22.542 9.455 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.927 20.732 10.008 1.00 0.00 H new ATOM 0 HG3 LYS A 52 12.411 19.842 9.729 1.00 0.00 H new ATOM 0 HD2 LYS A 52 12.150 21.016 12.450 1.00 0.00 H new ATOM 0 HD3 LYS A 52 10.972 19.777 12.066 1.00 0.00 H new ATOM 0 HE2 LYS A 52 12.850 18.261 11.357 1.00 0.00 H new ATOM 0 HE3 LYS A 52 13.996 19.493 11.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 13.684 17.847 13.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 13.128 19.360 14.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 12.018 18.167 13.636 1.00 0.00 H new ATOM 837 N VAL A 53 14.643 20.082 7.994 1.00 0.00 N ATOM 838 CA VAL A 53 14.708 19.542 6.641 1.00 0.00 C ATOM 839 C VAL A 53 14.323 18.068 6.619 1.00 0.00 C ATOM 840 O VAL A 53 14.281 17.409 7.659 1.00 0.00 O ATOM 841 CB VAL A 53 16.117 19.702 6.040 1.00 0.00 C ATOM 842 CG1 VAL A 53 16.557 21.158 6.089 1.00 0.00 C ATOM 843 CG2 VAL A 53 17.112 18.812 6.770 1.00 0.00 C ATOM 0 H VAL A 53 14.992 19.453 8.717 1.00 0.00 H new ATOM 0 HA VAL A 53 13.998 20.109 6.039 1.00 0.00 H new ATOM 0 HB VAL A 53 16.084 19.392 4.996 1.00 0.00 H new ATOM 0 HG11 VAL A 53 17.555 21.251 5.660 1.00 0.00 H new ATOM 0 HG12 VAL A 53 15.858 21.769 5.518 1.00 0.00 H new ATOM 0 HG13 VAL A 53 16.574 21.498 7.124 1.00 0.00 H new ATOM 0 HG21 VAL A 53 18.102 18.938 6.332 1.00 0.00 H new ATOM 0 HG22 VAL A 53 17.143 19.089 7.824 1.00 0.00 H new ATOM 0 HG23 VAL A 53 16.804 17.770 6.678 1.00 0.00 H new ATOM 853 N THR A 54 14.041 17.553 5.426 1.00 0.00 N ATOM 854 CA THR A 54 13.658 16.156 5.268 1.00 0.00 C ATOM 855 C THR A 54 14.848 15.304 4.841 1.00 0.00 C ATOM 856 O THR A 54 15.729 15.769 4.118 1.00 0.00 O ATOM 857 CB THR A 54 12.529 15.997 4.231 1.00 0.00 C ATOM 858 OG1 THR A 54 11.546 17.021 4.417 1.00 0.00 O ATOM 859 CG2 THR A 54 11.874 14.629 4.351 1.00 0.00 C ATOM 0 H THR A 54 14.071 18.083 4.555 1.00 0.00 H new ATOM 0 HA THR A 54 13.300 15.815 6.239 1.00 0.00 H new ATOM 0 HB THR A 54 12.963 16.088 3.235 1.00 0.00 H new ATOM 0 HG1 THR A 54 10.833 16.914 3.753 1.00 0.00 H new ATOM 0 HG21 THR A 54 11.080 14.539 3.609 1.00 0.00 H new ATOM 0 HG22 THR A 54 12.620 13.852 4.180 1.00 0.00 H new ATOM 0 HG23 THR A 54 11.452 14.514 5.350 1.00 0.00 H new ATOM 867 N VAL A 55 14.868 14.054 5.293 1.00 0.00 N ATOM 868 CA VAL A 55 15.950 13.137 4.956 1.00 0.00 C ATOM 869 C VAL A 55 15.413 11.743 4.651 1.00 0.00 C ATOM 870 O VAL A 55 14.362 11.348 5.156 1.00 0.00 O ATOM 871 CB VAL A 55 16.979 13.040 6.097 1.00 0.00 C ATOM 872 CG1 VAL A 55 17.708 14.364 6.273 1.00 0.00 C ATOM 873 CG2 VAL A 55 16.301 12.620 7.392 1.00 0.00 C ATOM 0 H VAL A 55 14.147 13.653 5.893 1.00 0.00 H new ATOM 0 HA VAL A 55 16.440 13.537 4.068 1.00 0.00 H new ATOM 0 HB VAL A 55 17.714 12.279 5.835 1.00 0.00 H new ATOM 0 HG11 VAL A 55 18.431 14.276 7.084 1.00 0.00 H new ATOM 0 HG12 VAL A 55 18.228 14.619 5.349 1.00 0.00 H new ATOM 0 HG13 VAL A 55 16.988 15.147 6.512 1.00 0.00 H new ATOM 0 HG21 VAL A 55 17.043 12.557 8.187 1.00 0.00 H new ATOM 0 HG22 VAL A 55 15.543 13.356 7.661 1.00 0.00 H new ATOM 0 HG23 VAL A 55 15.830 11.646 7.257 1.00 0.00 H new ATOM 883 N GLU A 56 16.142 11.002 3.823 1.00 0.00 N ATOM 884 CA GLU A 56 15.739 9.651 3.451 1.00 0.00 C ATOM 885 C GLU A 56 16.890 8.667 3.641 1.00 0.00 C ATOM 886 O GLU A 56 18.011 8.912 3.195 1.00 0.00 O ATOM 887 CB GLU A 56 15.262 9.620 1.997 1.00 0.00 C ATOM 888 CG GLU A 56 13.758 9.781 1.846 1.00 0.00 C ATOM 889 CD GLU A 56 13.345 10.089 0.420 1.00 0.00 C ATOM 890 OE1 GLU A 56 14.111 9.752 -0.506 1.00 0.00 O ATOM 891 OE2 GLU A 56 12.254 10.668 0.231 1.00 0.00 O ATOM 0 H GLU A 56 17.015 11.314 3.397 1.00 0.00 H new ATOM 0 HA GLU A 56 14.918 9.352 4.103 1.00 0.00 H new ATOM 0 HB2 GLU A 56 15.761 10.415 1.443 1.00 0.00 H new ATOM 0 HB3 GLU A 56 15.565 8.676 1.544 1.00 0.00 H new ATOM 0 HG2 GLU A 56 13.264 8.867 2.174 1.00 0.00 H new ATOM 0 HG3 GLU A 56 13.414 10.582 2.501 1.00 0.00 H new ATOM 898 N LEU A 57 16.604 7.554 4.307 1.00 0.00 N ATOM 899 CA LEU A 57 17.615 6.532 4.558 1.00 0.00 C ATOM 900 C LEU A 57 17.334 5.276 3.738 1.00 0.00 C ATOM 901 O LEU A 57 16.179 4.916 3.508 1.00 0.00 O ATOM 902 CB LEU A 57 17.658 6.184 6.047 1.00 0.00 C ATOM 903 CG LEU A 57 18.789 5.254 6.486 1.00 0.00 C ATOM 904 CD1 LEU A 57 20.021 6.058 6.874 1.00 0.00 C ATOM 905 CD2 LEU A 57 18.338 4.375 7.643 1.00 0.00 C ATOM 0 H LEU A 57 15.681 7.336 4.683 1.00 0.00 H new ATOM 0 HA LEU A 57 18.583 6.932 4.257 1.00 0.00 H new ATOM 0 HB2 LEU A 57 17.736 7.111 6.614 1.00 0.00 H new ATOM 0 HB3 LEU A 57 16.709 5.723 6.319 1.00 0.00 H new ATOM 0 HG LEU A 57 19.050 4.610 5.647 1.00 0.00 H new ATOM 0 HD11 LEU A 57 20.816 5.379 7.184 1.00 0.00 H new ATOM 0 HD12 LEU A 57 20.357 6.644 6.019 1.00 0.00 H new ATOM 0 HD13 LEU A 57 19.774 6.727 7.698 1.00 0.00 H new ATOM 0 HD21 LEU A 57 19.156 3.720 7.942 1.00 0.00 H new ATOM 0 HD22 LEU A 57 18.049 5.003 8.486 1.00 0.00 H new ATOM 0 HD23 LEU A 57 17.485 3.772 7.331 1.00 0.00 H new ATOM 917 N THR A 58 18.399 4.611 3.301 1.00 0.00 N ATOM 918 CA THR A 58 18.268 3.395 2.509 1.00 0.00 C ATOM 919 C THR A 58 18.679 2.167 3.314 1.00 0.00 C ATOM 920 O THR A 58 19.393 2.260 4.313 1.00 0.00 O ATOM 921 CB THR A 58 19.122 3.464 1.229 1.00 0.00 C ATOM 922 OG1 THR A 58 20.288 4.262 1.460 1.00 0.00 O ATOM 923 CG2 THR A 58 18.321 4.050 0.075 1.00 0.00 C ATOM 0 H THR A 58 19.362 4.894 3.482 1.00 0.00 H new ATOM 0 HA THR A 58 17.217 3.310 2.232 1.00 0.00 H new ATOM 0 HB THR A 58 19.423 2.450 0.965 1.00 0.00 H new ATOM 0 HG1 THR A 58 20.826 4.299 0.642 1.00 0.00 H new ATOM 0 HG21 THR A 58 18.945 4.089 -0.818 1.00 0.00 H new ATOM 0 HG22 THR A 58 17.450 3.424 -0.118 1.00 0.00 H new ATOM 0 HG23 THR A 58 17.994 5.057 0.333 1.00 0.00 H new ATOM 931 N PRO A 59 18.219 0.987 2.872 1.00 0.00 N ATOM 932 CA PRO A 59 18.527 -0.282 3.537 1.00 0.00 C ATOM 933 C PRO A 59 19.990 -0.681 3.375 1.00 0.00 C ATOM 934 O PRO A 59 20.486 -1.558 4.082 1.00 0.00 O ATOM 935 CB PRO A 59 17.617 -1.286 2.824 1.00 0.00 C ATOM 936 CG PRO A 59 17.371 -0.688 1.482 1.00 0.00 C ATOM 937 CD PRO A 59 17.363 0.802 1.688 1.00 0.00 C ATOM 0 HA PRO A 59 18.365 -0.228 4.613 1.00 0.00 H new ATOM 0 HB2 PRO A 59 18.094 -2.263 2.741 1.00 0.00 H new ATOM 0 HB3 PRO A 59 16.685 -1.432 3.369 1.00 0.00 H new ATOM 0 HG2 PRO A 59 18.148 -0.980 0.776 1.00 0.00 H new ATOM 0 HG3 PRO A 59 16.422 -1.030 1.070 1.00 0.00 H new ATOM 0 HD2 PRO A 59 17.758 1.330 0.820 1.00 0.00 H new ATOM 0 HD3 PRO A 59 16.354 1.179 1.858 1.00 0.00 H new ATOM 945 N TYR A 60 20.675 -0.032 2.441 1.00 0.00 N ATOM 946 CA TYR A 60 22.082 -0.320 2.185 1.00 0.00 C ATOM 947 C TYR A 60 22.933 -0.014 3.414 1.00 0.00 C ATOM 948 O TYR A 60 23.826 -0.782 3.771 1.00 0.00 O ATOM 949 CB TYR A 60 22.582 0.492 0.989 1.00 0.00 C ATOM 950 CG TYR A 60 22.391 -0.205 -0.339 1.00 0.00 C ATOM 951 CD1 TYR A 60 21.211 -0.059 -1.059 1.00 0.00 C ATOM 952 CD2 TYR A 60 23.389 -1.011 -0.873 1.00 0.00 C ATOM 953 CE1 TYR A 60 21.032 -0.695 -2.272 1.00 0.00 C ATOM 954 CE2 TYR A 60 23.219 -1.649 -2.086 1.00 0.00 C ATOM 955 CZ TYR A 60 22.039 -1.488 -2.782 1.00 0.00 C ATOM 956 OH TYR A 60 21.865 -2.124 -3.990 1.00 0.00 O ATOM 0 H TYR A 60 20.279 0.697 1.848 1.00 0.00 H new ATOM 0 HA TYR A 60 22.173 -1.382 1.957 1.00 0.00 H new ATOM 0 HB2 TYR A 60 22.060 1.448 0.966 1.00 0.00 H new ATOM 0 HB3 TYR A 60 23.641 0.710 1.126 1.00 0.00 H new ATOM 0 HD1 TYR A 60 20.421 0.562 -0.663 1.00 0.00 H new ATOM 0 HD2 TYR A 60 24.314 -1.141 -0.330 1.00 0.00 H new ATOM 0 HE1 TYR A 60 20.108 -0.572 -2.818 1.00 0.00 H new ATOM 0 HE2 TYR A 60 24.006 -2.271 -2.487 1.00 0.00 H new ATOM 0 HH TYR A 60 22.669 -2.642 -4.206 1.00 0.00 H new ATOM 966 N ASP A 61 22.648 1.113 4.056 1.00 0.00 N ATOM 967 CA ASP A 61 23.385 1.522 5.246 1.00 0.00 C ATOM 968 C ASP A 61 22.515 2.385 6.155 1.00 0.00 C ATOM 969 O ASP A 61 21.799 3.272 5.687 1.00 0.00 O ATOM 970 CB ASP A 61 24.648 2.288 4.852 1.00 0.00 C ATOM 971 CG ASP A 61 25.751 1.372 4.358 1.00 0.00 C ATOM 972 OD1 ASP A 61 26.399 0.717 5.201 1.00 0.00 O ATOM 973 OD2 ASP A 61 25.967 1.311 3.130 1.00 0.00 O ATOM 0 H ASP A 61 21.912 1.760 3.773 1.00 0.00 H new ATOM 0 HA ASP A 61 23.670 0.623 5.793 1.00 0.00 H new ATOM 0 HB2 ASP A 61 24.403 3.010 4.073 1.00 0.00 H new ATOM 0 HB3 ASP A 61 25.008 2.855 5.710 1.00 0.00 H new ATOM 978 N LEU A 62 22.580 2.119 7.454 1.00 0.00 N ATOM 979 CA LEU A 62 21.796 2.870 8.429 1.00 0.00 C ATOM 980 C LEU A 62 22.659 3.911 9.135 1.00 0.00 C ATOM 981 O LEU A 62 22.307 4.400 10.209 1.00 0.00 O ATOM 982 CB LEU A 62 21.179 1.921 9.458 1.00 0.00 C ATOM 983 CG LEU A 62 22.158 1.234 10.410 1.00 0.00 C ATOM 984 CD1 LEU A 62 21.499 0.971 11.755 1.00 0.00 C ATOM 985 CD2 LEU A 62 22.671 -0.064 9.803 1.00 0.00 C ATOM 0 H LEU A 62 23.167 1.389 7.857 1.00 0.00 H new ATOM 0 HA LEU A 62 20.998 3.386 7.896 1.00 0.00 H new ATOM 0 HB2 LEU A 62 20.458 2.482 10.053 1.00 0.00 H new ATOM 0 HB3 LEU A 62 20.622 1.151 8.924 1.00 0.00 H new ATOM 0 HG LEU A 62 23.007 1.899 10.568 1.00 0.00 H new ATOM 0 HD11 LEU A 62 22.211 0.482 12.420 1.00 0.00 H new ATOM 0 HD12 LEU A 62 21.182 1.916 12.196 1.00 0.00 H new ATOM 0 HD13 LEU A 62 20.631 0.327 11.615 1.00 0.00 H new ATOM 0 HD21 LEU A 62 23.367 -0.539 10.495 1.00 0.00 H new ATOM 0 HD22 LEU A 62 21.832 -0.734 9.615 1.00 0.00 H new ATOM 0 HD23 LEU A 62 23.182 0.150 8.864 1.00 0.00 H new ATOM 997 N SER A 63 23.791 4.247 8.524 1.00 0.00 N ATOM 998 CA SER A 63 24.706 5.228 9.095 1.00 0.00 C ATOM 999 C SER A 63 24.879 6.419 8.157 1.00 0.00 C ATOM 1000 O SER A 63 25.888 7.123 8.209 1.00 0.00 O ATOM 1001 CB SER A 63 26.065 4.586 9.378 1.00 0.00 C ATOM 1002 OG SER A 63 26.702 5.206 10.482 1.00 0.00 O ATOM 0 H SER A 63 24.096 3.854 7.634 1.00 0.00 H new ATOM 0 HA SER A 63 24.279 5.584 10.032 1.00 0.00 H new ATOM 0 HB2 SER A 63 25.934 3.523 9.580 1.00 0.00 H new ATOM 0 HB3 SER A 63 26.700 4.667 8.496 1.00 0.00 H new ATOM 0 HG SER A 63 27.568 4.777 10.643 1.00 0.00 H new ATOM 1008 N ARG A 64 23.887 6.639 7.301 1.00 0.00 N ATOM 1009 CA ARG A 64 23.929 7.743 6.350 1.00 0.00 C ATOM 1010 C ARG A 64 22.648 7.797 5.523 1.00 0.00 C ATOM 1011 O ARG A 64 22.159 6.772 5.050 1.00 0.00 O ATOM 1012 CB ARG A 64 25.140 7.603 5.426 1.00 0.00 C ATOM 1013 CG ARG A 64 25.235 6.246 4.748 1.00 0.00 C ATOM 1014 CD ARG A 64 26.618 6.013 4.161 1.00 0.00 C ATOM 1015 NE ARG A 64 27.088 7.164 3.395 1.00 0.00 N ATOM 1016 CZ ARG A 64 26.688 7.437 2.158 1.00 0.00 C ATOM 1017 NH1 ARG A 64 25.814 6.646 1.551 1.00 0.00 N ATOM 1018 NH2 ARG A 64 27.162 8.504 1.526 1.00 0.00 N ATOM 0 H ARG A 64 23.044 6.067 7.246 1.00 0.00 H new ATOM 0 HA ARG A 64 24.017 8.672 6.914 1.00 0.00 H new ATOM 0 HB2 ARG A 64 25.095 8.379 4.662 1.00 0.00 H new ATOM 0 HB3 ARG A 64 26.049 7.776 6.003 1.00 0.00 H new ATOM 0 HG2 ARG A 64 25.008 5.461 5.469 1.00 0.00 H new ATOM 0 HG3 ARG A 64 24.487 6.180 3.958 1.00 0.00 H new ATOM 0 HD2 ARG A 64 27.322 5.801 4.965 1.00 0.00 H new ATOM 0 HD3 ARG A 64 26.595 5.134 3.517 1.00 0.00 H new ATOM 0 HE ARG A 64 27.760 7.793 3.834 1.00 0.00 H new ATOM 0 HH11 ARG A 64 25.447 5.826 2.034 1.00 0.00 H new ATOM 0 HH12 ARG A 64 25.508 6.858 0.601 1.00 0.00 H new ATOM 0 HH21 ARG A 64 27.834 9.115 1.990 1.00 0.00 H new ATOM 0 HH22 ARG A 64 26.854 8.713 0.576 1.00 0.00 H new ATOM 1032 N ALA A 65 22.110 9.001 5.352 1.00 0.00 N ATOM 1033 CA ALA A 65 20.887 9.188 4.581 1.00 0.00 C ATOM 1034 C ALA A 65 21.010 10.380 3.638 1.00 0.00 C ATOM 1035 O ALA A 65 21.773 11.312 3.896 1.00 0.00 O ATOM 1036 CB ALA A 65 19.698 9.371 5.513 1.00 0.00 C ATOM 0 H ALA A 65 22.502 9.860 5.737 1.00 0.00 H new ATOM 0 HA ALA A 65 20.727 8.295 3.977 1.00 0.00 H new ATOM 0 HB1 ALA A 65 18.792 9.510 4.924 1.00 0.00 H new ATOM 0 HB2 ALA A 65 19.590 8.488 6.143 1.00 0.00 H new ATOM 0 HB3 ALA A 65 19.860 10.247 6.141 1.00 0.00 H new ATOM 1042 N ARG A 66 20.256 10.344 2.544 1.00 0.00 N ATOM 1043 CA ARG A 66 20.283 11.421 1.562 1.00 0.00 C ATOM 1044 C ARG A 66 19.566 12.659 2.092 1.00 0.00 C ATOM 1045 O ARG A 66 18.429 12.577 2.558 1.00 0.00 O ATOM 1046 CB ARG A 66 19.635 10.963 0.254 1.00 0.00 C ATOM 1047 CG ARG A 66 18.238 10.391 0.435 1.00 0.00 C ATOM 1048 CD ARG A 66 17.569 10.121 -0.904 1.00 0.00 C ATOM 1049 NE ARG A 66 18.416 9.326 -1.789 1.00 0.00 N ATOM 1050 CZ ARG A 66 18.249 9.264 -3.106 1.00 0.00 C ATOM 1051 NH1 ARG A 66 17.272 9.947 -3.686 1.00 0.00 N ATOM 1052 NH2 ARG A 66 19.060 8.518 -3.844 1.00 0.00 N ATOM 0 H ARG A 66 19.619 9.581 2.316 1.00 0.00 H new ATOM 0 HA ARG A 66 21.325 11.680 1.372 1.00 0.00 H new ATOM 0 HB2 ARG A 66 19.587 11.808 -0.433 1.00 0.00 H new ATOM 0 HB3 ARG A 66 20.270 10.209 -0.212 1.00 0.00 H new ATOM 0 HG2 ARG A 66 18.294 9.466 1.008 1.00 0.00 H new ATOM 0 HG3 ARG A 66 17.630 11.088 1.013 1.00 0.00 H new ATOM 0 HD2 ARG A 66 16.626 9.599 -0.739 1.00 0.00 H new ATOM 0 HD3 ARG A 66 17.329 11.068 -1.387 1.00 0.00 H new ATOM 0 HE ARG A 66 19.177 8.789 -1.374 1.00 0.00 H new ATOM 0 HH11 ARG A 66 16.647 10.522 -3.121 1.00 0.00 H new ATOM 0 HH12 ARG A 66 17.146 9.898 -4.697 1.00 0.00 H new ATOM 0 HH21 ARG A 66 19.813 7.991 -3.401 1.00 0.00 H new ATOM 0 HH22 ARG A 66 18.931 8.471 -4.855 1.00 0.00 H new ATOM 1066 N ILE A 67 20.237 13.803 2.018 1.00 0.00 N ATOM 1067 CA ILE A 67 19.664 15.057 2.490 1.00 0.00 C ATOM 1068 C ILE A 67 18.651 15.608 1.492 1.00 0.00 C ATOM 1069 O ILE A 67 18.929 15.702 0.296 1.00 0.00 O ATOM 1070 CB ILE A 67 20.753 16.117 2.737 1.00 0.00 C ATOM 1071 CG1 ILE A 67 21.724 15.640 3.819 1.00 0.00 C ATOM 1072 CG2 ILE A 67 20.122 17.444 3.131 1.00 0.00 C ATOM 1073 CD1 ILE A 67 21.068 15.422 5.165 1.00 0.00 C ATOM 0 H ILE A 67 21.179 13.887 1.635 1.00 0.00 H new ATOM 0 HA ILE A 67 19.161 14.839 3.432 1.00 0.00 H new ATOM 0 HB ILE A 67 21.312 16.264 1.813 1.00 0.00 H new ATOM 0 HG12 ILE A 67 22.188 14.708 3.495 1.00 0.00 H new ATOM 0 HG13 ILE A 67 22.523 16.373 3.928 1.00 0.00 H new ATOM 0 HG21 ILE A 67 20.905 18.183 3.302 1.00 0.00 H new ATOM 0 HG22 ILE A 67 19.468 17.788 2.330 1.00 0.00 H new ATOM 0 HG23 ILE A 67 19.541 17.314 4.044 1.00 0.00 H new ATOM 0 HD11 ILE A 67 21.815 15.085 5.883 1.00 0.00 H new ATOM 0 HD12 ILE A 67 20.628 16.357 5.511 1.00 0.00 H new ATOM 0 HD13 ILE A 67 20.288 14.667 5.071 1.00 0.00 H new ATOM 1085 N VAL A 68 17.474 15.973 1.991 1.00 0.00 N ATOM 1086 CA VAL A 68 16.420 16.518 1.144 1.00 0.00 C ATOM 1087 C VAL A 68 16.126 17.971 1.499 1.00 0.00 C ATOM 1088 O VAL A 68 16.490 18.444 2.576 1.00 0.00 O ATOM 1089 CB VAL A 68 15.122 15.698 1.267 1.00 0.00 C ATOM 1090 CG1 VAL A 68 14.210 15.961 0.078 1.00 0.00 C ATOM 1091 CG2 VAL A 68 15.438 14.215 1.390 1.00 0.00 C ATOM 0 H VAL A 68 17.227 15.901 2.978 1.00 0.00 H new ATOM 0 HA VAL A 68 16.779 16.464 0.116 1.00 0.00 H new ATOM 0 HB VAL A 68 14.600 16.010 2.171 1.00 0.00 H new ATOM 0 HG11 VAL A 68 13.298 15.373 0.182 1.00 0.00 H new ATOM 0 HG12 VAL A 68 13.957 17.021 0.041 1.00 0.00 H new ATOM 0 HG13 VAL A 68 14.721 15.678 -0.842 1.00 0.00 H new ATOM 0 HG21 VAL A 68 14.509 13.651 1.476 1.00 0.00 H new ATOM 0 HG22 VAL A 68 15.983 13.884 0.506 1.00 0.00 H new ATOM 0 HG23 VAL A 68 16.049 14.045 2.277 1.00 0.00 H new ATOM 1101 N PHE A 69 15.464 18.675 0.587 1.00 0.00 N ATOM 1102 CA PHE A 69 15.121 20.076 0.802 1.00 0.00 C ATOM 1103 C PHE A 69 14.446 20.268 2.157 1.00 0.00 C ATOM 1104 O PHE A 69 14.007 19.304 2.786 1.00 0.00 O ATOM 1105 CB PHE A 69 14.202 20.575 -0.314 1.00 0.00 C ATOM 1106 CG PHE A 69 14.757 20.353 -1.692 1.00 0.00 C ATOM 1107 CD1 PHE A 69 15.663 21.246 -2.241 1.00 0.00 C ATOM 1108 CD2 PHE A 69 14.372 19.251 -2.439 1.00 0.00 C ATOM 1109 CE1 PHE A 69 16.176 21.045 -3.508 1.00 0.00 C ATOM 1110 CE2 PHE A 69 14.881 19.044 -3.706 1.00 0.00 C ATOM 1111 CZ PHE A 69 15.783 19.943 -4.242 1.00 0.00 C ATOM 0 H PHE A 69 15.154 18.298 -0.309 1.00 0.00 H new ATOM 0 HA PHE A 69 16.043 20.657 0.790 1.00 0.00 H new ATOM 0 HB2 PHE A 69 13.239 20.071 -0.233 1.00 0.00 H new ATOM 0 HB3 PHE A 69 14.017 21.640 -0.173 1.00 0.00 H new ATOM 0 HD1 PHE A 69 15.972 22.110 -1.671 1.00 0.00 H new ATOM 0 HD2 PHE A 69 13.666 18.546 -2.026 1.00 0.00 H new ATOM 0 HE1 PHE A 69 16.883 21.748 -3.924 1.00 0.00 H new ATOM 0 HE2 PHE A 69 14.574 18.180 -4.277 1.00 0.00 H new ATOM 0 HZ PHE A 69 16.180 19.784 -5.234 1.00 0.00 H new ATOM 1121 N ARG A 70 14.367 21.518 2.600 1.00 0.00 N ATOM 1122 CA ARG A 70 13.747 21.837 3.881 1.00 0.00 C ATOM 1123 C ARG A 70 12.380 21.171 4.004 1.00 0.00 C ATOM 1124 O ARG A 70 11.774 20.785 3.004 1.00 0.00 O ATOM 1125 CB ARG A 70 13.605 23.352 4.039 1.00 0.00 C ATOM 1126 CG ARG A 70 12.429 23.937 3.274 1.00 0.00 C ATOM 1127 CD ARG A 70 12.668 23.898 1.772 1.00 0.00 C ATOM 1128 NE ARG A 70 11.978 22.779 1.137 1.00 0.00 N ATOM 1129 CZ ARG A 70 10.694 22.802 0.800 1.00 0.00 C ATOM 1130 NH1 ARG A 70 9.962 23.882 1.037 1.00 0.00 N ATOM 1131 NH2 ARG A 70 10.138 21.743 0.226 1.00 0.00 N ATOM 0 H ARG A 70 14.724 22.327 2.091 1.00 0.00 H new ATOM 0 HA ARG A 70 14.390 21.455 4.673 1.00 0.00 H new ATOM 0 HB2 ARG A 70 13.494 23.589 5.097 1.00 0.00 H new ATOM 0 HB3 ARG A 70 14.523 23.832 3.700 1.00 0.00 H new ATOM 0 HG2 ARG A 70 11.524 23.380 3.514 1.00 0.00 H new ATOM 0 HG3 ARG A 70 12.263 24.967 3.591 1.00 0.00 H new ATOM 0 HD2 ARG A 70 12.328 24.833 1.327 1.00 0.00 H new ATOM 0 HD3 ARG A 70 13.738 23.822 1.577 1.00 0.00 H new ATOM 0 HE ARG A 70 12.512 21.932 0.941 1.00 0.00 H new ATOM 0 HH11 ARG A 70 10.385 24.698 1.479 1.00 0.00 H new ATOM 0 HH12 ARG A 70 8.976 23.897 0.777 1.00 0.00 H new ATOM 0 HH21 ARG A 70 10.697 20.910 0.043 1.00 0.00 H new ATOM 0 HH22 ARG A 70 9.151 21.762 -0.032 1.00 0.00 H new ATOM 1145 N ALA A 71 11.900 21.040 5.236 1.00 0.00 N ATOM 1146 CA ALA A 71 10.604 20.423 5.489 1.00 0.00 C ATOM 1147 C ALA A 71 9.467 21.405 5.228 1.00 0.00 C ATOM 1148 O ALA A 71 9.438 22.501 5.788 1.00 0.00 O ATOM 1149 CB ALA A 71 10.537 19.904 6.918 1.00 0.00 C ATOM 0 H ALA A 71 12.389 21.353 6.075 1.00 0.00 H new ATOM 0 HA ALA A 71 10.489 19.584 4.803 1.00 0.00 H new ATOM 0 HB1 ALA A 71 9.564 19.446 7.093 1.00 0.00 H new ATOM 0 HB2 ALA A 71 11.321 19.162 7.073 1.00 0.00 H new ATOM 0 HB3 ALA A 71 10.679 20.732 7.613 1.00 0.00 H new ATOM 1155 N LYS A 72 8.532 21.007 4.371 1.00 0.00 N ATOM 1156 CA LYS A 72 7.392 21.851 4.035 1.00 0.00 C ATOM 1157 C LYS A 72 6.624 22.254 5.290 1.00 0.00 C ATOM 1158 O LYS A 72 5.956 21.428 5.912 1.00 0.00 O ATOM 1159 CB LYS A 72 6.460 21.122 3.065 1.00 0.00 C ATOM 1160 CG LYS A 72 7.036 20.965 1.669 1.00 0.00 C ATOM 1161 CD LYS A 72 6.102 20.177 0.765 1.00 0.00 C ATOM 1162 CE LYS A 72 6.307 18.678 0.924 1.00 0.00 C ATOM 1163 NZ LYS A 72 6.031 17.943 -0.341 1.00 0.00 N ATOM 0 H LYS A 72 8.542 20.104 3.896 1.00 0.00 H new ATOM 0 HA LYS A 72 7.769 22.755 3.556 1.00 0.00 H new ATOM 0 HB2 LYS A 72 6.231 20.135 3.467 1.00 0.00 H new ATOM 0 HB3 LYS A 72 5.518 21.667 3.001 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.218 21.949 1.237 1.00 0.00 H new ATOM 0 HG3 LYS A 72 8.000 20.459 1.727 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.068 20.431 0.998 1.00 0.00 H new ATOM 0 HD3 LYS A 72 6.273 20.461 -0.273 1.00 0.00 H new ATOM 0 HE2 LYS A 72 7.332 18.483 1.241 1.00 0.00 H new ATOM 0 HE3 LYS A 72 5.653 18.304 1.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 6.182 16.925 -0.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 5.046 18.108 -0.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 6.672 18.282 -1.086 1.00 0.00 H new