USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 831 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 44 SER OG : rot 160:sc= 0.162! USER MOD Set 1.2: A 49 TYR OH : rot 103:sc= 0.745 USER MOD Set 2.1: A 34 MET CE :methyl -143:sc= -2.37! (180deg=-5.46!) USER MOD Set 2.2: A 58 ASN :FLIP amide:sc= -2.58 F(o=-7.8,f=-4.9) USER MOD Set 3.1: A 24 GLN : amide:sc= -0.0353 X(o=-0.035,f=-0.38) USER MOD Set 3.2: A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -0.208 K(o=-0.21,f=-2.6!) USER MOD Single : A 13 GLN :FLIP amide:sc= -4.16! C(o=-5.1!,f=-4.2!) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -0.186 K(o=-0.19,f=-2.2!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -144:sc= -1.69! (180deg=-3.3!) USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.782! USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot -140:sc= 0 USER MOD Single : A 43 MET CE :methyl -132:sc= -5.8! (180deg=-10.3!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot -122:sc= 0.977 USER MOD Single : A 55 THR OG1 : rot -150:sc= -0.382 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0972) USER MOD Single : A 73 GLN : amide:sc= -0.195 K(o=-0.19,f=-1.1) USER MOD Single : A 76 SER OG : rot 112:sc= 0.759 USER MOD Single : A 81 SER OG : rot 180:sc= 0.115 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 MET CE :methyl -119:sc= -4.64! (180deg=-10.8!) USER MOD Single : A 96 THR OG1 : rot 180:sc= -0.0536 USER MOD Single : A 99 TYR OH : rot 165:sc= -1.3 USER MOD Single : A 101 ASN : amide:sc= -1.24 K(o=-1.2,f=-11!) USER MOD Single : A 102 SER OG : rot 180:sc= -4.15! USER MOD Single : A 107 MET CE :methyl 151:sc= -9.97! (180deg=-11.6!) USER MOD ----------------------------------------------------------------- ATOM 115 N PRO A 8 -0.677 -18.791 -5.908 1.00 0.00 N ATOM 116 CA PRO A 8 0.026 -17.644 -5.361 1.00 0.00 C ATOM 117 C PRO A 8 -0.927 -16.467 -5.149 1.00 0.00 C ATOM 118 O PRO A 8 -0.503 -15.386 -4.742 1.00 0.00 O ATOM 119 CB PRO A 8 1.129 -17.344 -6.364 1.00 0.00 C ATOM 120 CG PRO A 8 0.718 -18.034 -7.654 1.00 0.00 C ATOM 121 CD PRO A 8 -0.405 -19.003 -7.327 1.00 0.00 C ATOM 0 HA PRO A 8 0.446 -17.839 -4.374 1.00 0.00 H new ATOM 0 HB2 PRO A 8 1.239 -16.270 -6.514 1.00 0.00 H new ATOM 0 HB3 PRO A 8 2.090 -17.717 -6.011 1.00 0.00 H new ATOM 0 HG2 PRO A 8 0.388 -17.301 -8.390 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.565 -18.564 -8.090 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.289 -18.804 -7.933 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -0.109 -20.033 -7.524 1.00 0.00 H new ATOM 129 N GLN A 9 -2.196 -16.715 -5.436 1.00 0.00 N ATOM 130 CA GLN A 9 -3.213 -15.689 -5.283 1.00 0.00 C ATOM 131 C GLN A 9 -3.738 -15.671 -3.844 1.00 0.00 C ATOM 132 O GLN A 9 -4.104 -14.618 -3.327 1.00 0.00 O ATOM 133 CB GLN A 9 -4.355 -15.895 -6.280 1.00 0.00 C ATOM 134 CG GLN A 9 -4.675 -14.596 -7.022 1.00 0.00 C ATOM 135 CD GLN A 9 -5.135 -14.881 -8.454 1.00 0.00 C ATOM 136 OE1 GLN A 9 -5.071 -15.997 -8.942 1.00 0.00 O ATOM 137 NE2 GLN A 9 -5.599 -13.814 -9.097 1.00 0.00 N ATOM 0 H GLN A 9 -2.543 -17.612 -5.774 1.00 0.00 H new ATOM 0 HA GLN A 9 -2.759 -14.721 -5.496 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -4.082 -16.670 -6.997 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -5.243 -16.246 -5.754 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -5.453 -14.050 -6.488 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -3.792 -13.957 -7.040 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -5.625 -12.908 -8.629 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -5.929 -13.901 -10.058 1.00 0.00 H new ATOM 146 N ARG A 10 -3.754 -16.851 -3.241 1.00 0.00 N ATOM 147 CA ARG A 10 -4.227 -16.985 -1.874 1.00 0.00 C ATOM 148 C ARG A 10 -3.358 -16.153 -0.927 1.00 0.00 C ATOM 149 O ARG A 10 -3.873 -15.376 -0.126 1.00 0.00 O ATOM 150 CB ARG A 10 -4.206 -18.446 -1.424 1.00 0.00 C ATOM 151 CG ARG A 10 -5.166 -18.675 -0.255 1.00 0.00 C ATOM 152 CD ARG A 10 -4.502 -18.326 1.078 1.00 0.00 C ATOM 153 NE ARG A 10 -4.436 -19.528 1.939 1.00 0.00 N ATOM 154 CZ ARG A 10 -3.535 -19.700 2.930 1.00 0.00 C ATOM 155 NH1 ARG A 10 -2.614 -18.747 3.193 1.00 0.00 N ATOM 156 NH2 ARG A 10 -3.568 -20.813 3.638 1.00 0.00 N ATOM 0 H ARG A 10 -3.447 -17.722 -3.674 1.00 0.00 H new ATOM 0 HA ARG A 10 -5.254 -16.623 -1.842 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -4.483 -19.091 -2.258 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -3.195 -18.724 -1.128 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -6.060 -18.066 -0.390 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -5.488 -19.716 -0.243 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -3.499 -17.938 0.904 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -5.065 -17.539 1.580 1.00 0.00 H new ATOM 0 HE ARG A 10 -5.113 -20.273 1.774 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -2.596 -17.889 2.641 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -1.937 -18.885 3.943 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -4.267 -21.527 3.433 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -2.895 -20.959 4.390 1.00 0.00 H new ATOM 169 N VAL A 11 -2.052 -16.347 -1.052 1.00 0.00 N ATOM 170 CA VAL A 11 -1.106 -15.625 -0.218 1.00 0.00 C ATOM 171 C VAL A 11 -1.115 -14.146 -0.608 1.00 0.00 C ATOM 172 O VAL A 11 -1.032 -13.274 0.257 1.00 0.00 O ATOM 173 CB VAL A 11 0.280 -16.264 -0.328 1.00 0.00 C ATOM 174 CG1 VAL A 11 1.381 -15.232 -0.070 1.00 0.00 C ATOM 175 CG2 VAL A 11 0.412 -17.455 0.622 1.00 0.00 C ATOM 0 H VAL A 11 -1.628 -16.993 -1.718 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.396 -15.686 0.831 1.00 0.00 H new ATOM 0 HB VAL A 11 0.399 -16.634 -1.346 1.00 0.00 H new ATOM 0 HG11 VAL A 11 2.356 -15.712 -0.154 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.307 -14.430 -0.804 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.265 -14.819 0.932 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.406 -17.890 0.524 1.00 0.00 H new ATOM 0 HG22 VAL A 11 0.263 -17.120 1.648 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.339 -18.205 0.372 1.00 0.00 H new ATOM 185 N ALA A 12 -1.217 -13.909 -1.906 1.00 0.00 N ATOM 186 CA ALA A 12 -1.238 -12.550 -2.420 1.00 0.00 C ATOM 187 C ALA A 12 -2.429 -11.801 -1.818 1.00 0.00 C ATOM 188 O ALA A 12 -2.302 -10.644 -1.420 1.00 0.00 O ATOM 189 CB ALA A 12 -1.282 -12.582 -3.948 1.00 0.00 C ATOM 0 H ALA A 12 -1.286 -14.635 -2.619 1.00 0.00 H new ATOM 0 HA ALA A 12 -0.332 -12.017 -2.132 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -1.298 -11.562 -4.333 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -0.400 -13.099 -4.327 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.179 -13.107 -4.275 1.00 0.00 H new ATOM 195 N GLN A 13 -3.559 -12.491 -1.771 1.00 0.00 N ATOM 196 CA GLN A 13 -4.772 -11.906 -1.224 1.00 0.00 C ATOM 197 C GLN A 13 -4.595 -11.617 0.269 1.00 0.00 C ATOM 198 O GLN A 13 -4.609 -10.460 0.686 1.00 0.00 O ATOM 199 CB GLN A 13 -5.977 -12.813 -1.469 1.00 0.00 C ATOM 200 CG GLN A 13 -6.294 -12.915 -2.962 1.00 0.00 C ATOM 201 CD GLN A 13 -5.357 -12.027 -3.783 1.00 0.00 C ATOM 202 OE1 GLN A 13 -5.727 -10.751 -3.832 1.00 0.00 O flip ATOM 203 NE2 GLN A 13 -4.365 -12.471 -4.335 1.00 0.00 N flip ATOM 0 H GLN A 13 -3.660 -13.450 -2.103 1.00 0.00 H new ATOM 0 HA GLN A 13 -4.961 -10.963 -1.736 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -5.776 -13.806 -1.068 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -6.844 -12.423 -0.936 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -6.198 -13.951 -3.288 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -7.328 -12.620 -3.139 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -4.138 -13.462 -4.257 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -3.761 -11.851 -4.875 1.00 0.00 H new ATOM 212 N GLU A 14 -4.435 -12.688 1.030 1.00 0.00 N ATOM 213 CA GLU A 14 -4.257 -12.564 2.467 1.00 0.00 C ATOM 214 C GLU A 14 -3.321 -11.396 2.788 1.00 0.00 C ATOM 215 O GLU A 14 -3.535 -10.673 3.759 1.00 0.00 O ATOM 216 CB GLU A 14 -3.731 -13.868 3.069 1.00 0.00 C ATOM 217 CG GLU A 14 -4.824 -14.583 3.869 1.00 0.00 C ATOM 218 CD GLU A 14 -4.326 -15.931 4.394 1.00 0.00 C ATOM 219 OE1 GLU A 14 -3.194 -16.024 4.892 1.00 0.00 O ATOM 220 OE2 GLU A 14 -5.162 -16.907 4.270 1.00 0.00 O ATOM 0 H GLU A 14 -4.425 -13.646 0.680 1.00 0.00 H new ATOM 0 HA GLU A 14 -5.229 -12.360 2.917 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -3.371 -14.521 2.274 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -2.880 -13.657 3.717 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.137 -13.957 4.704 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -5.700 -14.735 3.239 1.00 0.00 H new ATOM 228 N MET A 15 -2.303 -11.250 1.952 1.00 0.00 N ATOM 229 CA MET A 15 -1.335 -10.182 2.134 1.00 0.00 C ATOM 230 C MET A 15 -1.896 -8.843 1.652 1.00 0.00 C ATOM 231 O MET A 15 -1.621 -7.802 2.244 1.00 0.00 O ATOM 232 CB MET A 15 -0.059 -10.512 1.354 1.00 0.00 C ATOM 233 CG MET A 15 0.970 -11.202 2.253 1.00 0.00 C ATOM 234 SD MET A 15 2.367 -11.738 1.281 1.00 0.00 S ATOM 235 CE MET A 15 3.691 -10.946 2.178 1.00 0.00 C ATOM 0 H MET A 15 -2.128 -11.853 1.148 1.00 0.00 H new ATOM 0 HA MET A 15 -1.111 -10.098 3.197 1.00 0.00 H new ATOM 0 HB2 MET A 15 -0.301 -11.158 0.510 1.00 0.00 H new ATOM 0 HB3 MET A 15 0.367 -9.597 0.943 1.00 0.00 H new ATOM 0 HG2 MET A 15 1.301 -10.517 3.033 1.00 0.00 H new ATOM 0 HG3 MET A 15 0.514 -12.057 2.752 1.00 0.00 H new ATOM 0 HE1 MET A 15 4.643 -11.178 1.701 1.00 0.00 H new ATOM 0 HE2 MET A 15 3.538 -9.867 2.175 1.00 0.00 H new ATOM 0 HE3 MET A 15 3.702 -11.308 3.206 1.00 0.00 H new ATOM 245 N GLN A 16 -2.673 -8.916 0.581 1.00 0.00 N ATOM 246 CA GLN A 16 -3.275 -7.721 0.012 1.00 0.00 C ATOM 247 C GLN A 16 -4.304 -7.134 0.980 1.00 0.00 C ATOM 248 O GLN A 16 -4.460 -5.916 1.061 1.00 0.00 O ATOM 249 CB GLN A 16 -3.911 -8.023 -1.346 1.00 0.00 C ATOM 250 CG GLN A 16 -4.028 -6.752 -2.191 1.00 0.00 C ATOM 251 CD GLN A 16 -5.473 -6.249 -2.227 1.00 0.00 C ATOM 252 OE1 GLN A 16 -6.337 -6.716 -1.506 1.00 0.00 O ATOM 253 NE2 GLN A 16 -5.683 -5.271 -3.104 1.00 0.00 N ATOM 0 H GLN A 16 -2.900 -9.782 0.093 1.00 0.00 H new ATOM 0 HA GLN A 16 -2.490 -6.981 -0.147 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -3.311 -8.763 -1.876 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -4.899 -8.459 -1.200 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -3.380 -5.978 -1.781 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -3.683 -6.952 -3.206 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -4.913 -4.926 -3.678 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -6.614 -4.866 -3.203 1.00 0.00 H new ATOM 262 N LYS A 17 -4.978 -8.026 1.690 1.00 0.00 N ATOM 263 CA LYS A 17 -5.987 -7.610 2.649 1.00 0.00 C ATOM 264 C LYS A 17 -5.300 -7.098 3.916 1.00 0.00 C ATOM 265 O LYS A 17 -5.735 -6.108 4.505 1.00 0.00 O ATOM 266 CB LYS A 17 -6.982 -8.744 2.905 1.00 0.00 C ATOM 267 CG LYS A 17 -6.439 -9.727 3.945 1.00 0.00 C ATOM 268 CD LYS A 17 -7.554 -10.615 4.497 1.00 0.00 C ATOM 269 CE LYS A 17 -7.490 -10.694 6.024 1.00 0.00 C ATOM 270 NZ LYS A 17 -8.650 -11.445 6.553 1.00 0.00 N ATOM 0 H LYS A 17 -4.845 -9.035 1.621 1.00 0.00 H new ATOM 0 HA LYS A 17 -6.575 -6.784 2.249 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.929 -8.330 3.251 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -7.186 -9.271 1.973 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.665 -10.348 3.494 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.971 -9.176 4.761 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -8.523 -10.221 4.190 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -7.469 -11.616 4.074 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -6.564 -11.180 6.330 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -7.477 -9.689 6.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -8.591 -11.489 7.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -9.530 -10.965 6.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -8.645 -12.410 6.165 1.00 0.00 H new ATOM 283 N GLU A 18 -4.238 -7.793 4.297 1.00 0.00 N ATOM 284 CA GLU A 18 -3.487 -7.419 5.484 1.00 0.00 C ATOM 285 C GLU A 18 -2.783 -6.078 5.266 1.00 0.00 C ATOM 286 O GLU A 18 -2.791 -5.218 6.146 1.00 0.00 O ATOM 287 CB GLU A 18 -2.483 -8.510 5.862 1.00 0.00 C ATOM 288 CG GLU A 18 -1.849 -8.223 7.225 1.00 0.00 C ATOM 289 CD GLU A 18 -2.575 -8.980 8.338 1.00 0.00 C ATOM 290 OE1 GLU A 18 -3.375 -8.385 9.073 1.00 0.00 O ATOM 291 OE2 GLU A 18 -2.285 -10.234 8.423 1.00 0.00 O ATOM 0 H GLU A 18 -3.880 -8.612 3.806 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.186 -7.310 6.314 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.984 -9.478 5.886 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.705 -8.573 5.101 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.798 -8.512 7.209 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.882 -7.152 7.427 1.00 0.00 H new ATOM 299 N ILE A 19 -2.191 -5.940 4.089 1.00 0.00 N ATOM 300 CA ILE A 19 -1.485 -4.719 3.745 1.00 0.00 C ATOM 301 C ILE A 19 -2.500 -3.607 3.471 1.00 0.00 C ATOM 302 O ILE A 19 -2.299 -2.463 3.876 1.00 0.00 O ATOM 303 CB ILE A 19 -0.517 -4.967 2.586 1.00 0.00 C ATOM 304 CG1 ILE A 19 -1.261 -5.009 1.249 1.00 0.00 C ATOM 305 CG2 ILE A 19 0.308 -6.233 2.824 1.00 0.00 C ATOM 306 CD1 ILE A 19 -0.322 -5.415 0.112 1.00 0.00 C ATOM 0 H ILE A 19 -2.186 -6.655 3.361 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.868 -4.389 4.580 1.00 0.00 H new ATOM 0 HB ILE A 19 0.181 -4.132 2.538 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.089 -5.715 1.311 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.692 -4.030 1.038 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.988 -6.387 1.986 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.883 -6.125 3.743 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.359 -7.091 2.912 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.876 -5.437 -0.827 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.491 -4.693 0.037 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.088 -6.404 0.315 1.00 0.00 H new ATOM 318 N ALA A 20 -3.569 -3.983 2.784 1.00 0.00 N ATOM 319 CA ALA A 20 -4.616 -3.032 2.450 1.00 0.00 C ATOM 320 C ALA A 20 -5.184 -2.433 3.738 1.00 0.00 C ATOM 321 O ALA A 20 -5.543 -1.258 3.775 1.00 0.00 O ATOM 322 CB ALA A 20 -5.687 -3.727 1.607 1.00 0.00 C ATOM 0 H ALA A 20 -3.733 -4.933 2.450 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.215 -2.212 1.854 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -6.472 -3.014 1.356 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.238 -4.109 0.690 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -6.115 -4.554 2.173 1.00 0.00 H new ATOM 328 N LEU A 21 -5.249 -3.270 4.764 1.00 0.00 N ATOM 329 CA LEU A 21 -5.768 -2.838 6.050 1.00 0.00 C ATOM 330 C LEU A 21 -4.767 -1.883 6.704 1.00 0.00 C ATOM 331 O LEU A 21 -5.080 -0.716 6.938 1.00 0.00 O ATOM 332 CB LEU A 21 -6.120 -4.048 6.919 1.00 0.00 C ATOM 333 CG LEU A 21 -6.539 -3.740 8.358 1.00 0.00 C ATOM 334 CD1 LEU A 21 -8.011 -4.094 8.588 1.00 0.00 C ATOM 335 CD2 LEU A 21 -5.619 -4.441 9.359 1.00 0.00 C ATOM 0 H LEU A 21 -4.951 -4.245 4.730 1.00 0.00 H new ATOM 0 HA LEU A 21 -6.699 -2.286 5.919 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.929 -4.595 6.435 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.257 -4.714 6.947 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.435 -2.667 8.522 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.283 -3.866 9.618 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -8.635 -3.512 7.910 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -8.163 -5.157 8.400 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.939 -4.205 10.374 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.667 -5.519 9.204 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.594 -4.099 9.213 1.00 0.00 H new ATOM 347 N ILE A 22 -3.584 -2.413 6.979 1.00 0.00 N ATOM 348 CA ILE A 22 -2.537 -1.620 7.601 1.00 0.00 C ATOM 349 C ILE A 22 -2.220 -0.415 6.714 1.00 0.00 C ATOM 350 O ILE A 22 -1.650 0.570 7.180 1.00 0.00 O ATOM 351 CB ILE A 22 -1.320 -2.493 7.912 1.00 0.00 C ATOM 352 CG1 ILE A 22 -1.709 -3.689 8.784 1.00 0.00 C ATOM 353 CG2 ILE A 22 -0.198 -1.665 8.544 1.00 0.00 C ATOM 354 CD1 ILE A 22 -0.593 -4.736 8.811 1.00 0.00 C ATOM 0 H ILE A 22 -3.328 -3.381 6.783 1.00 0.00 H new ATOM 0 HA ILE A 22 -2.874 -1.228 8.561 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.938 -2.891 6.972 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -1.919 -3.350 9.799 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -2.625 -4.139 8.402 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.655 -2.310 8.755 1.00 0.00 H new ATOM 0 HG22 ILE A 22 0.105 -0.876 7.855 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.554 -1.219 9.472 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.896 -5.575 9.438 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -0.402 -5.090 7.798 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.315 -4.290 9.216 1.00 0.00 H new ATOM 366 N LEU A 23 -2.602 -0.533 5.451 1.00 0.00 N ATOM 367 CA LEU A 23 -2.365 0.533 4.493 1.00 0.00 C ATOM 368 C LEU A 23 -3.519 1.536 4.559 1.00 0.00 C ATOM 369 O LEU A 23 -3.395 2.662 4.079 1.00 0.00 O ATOM 370 CB LEU A 23 -2.129 -0.042 3.096 1.00 0.00 C ATOM 371 CG LEU A 23 -1.915 0.978 1.976 1.00 0.00 C ATOM 372 CD1 LEU A 23 -0.977 0.427 0.902 1.00 0.00 C ATOM 373 CD2 LEU A 23 -3.252 1.437 1.391 1.00 0.00 C ATOM 0 H LEU A 23 -3.075 -1.352 5.069 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.454 1.076 4.745 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.257 -0.695 3.137 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.983 -0.666 2.833 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.431 1.857 2.402 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.843 1.173 0.119 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.011 0.192 1.349 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.408 -0.477 0.472 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.072 2.162 0.597 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.785 0.578 0.984 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.853 1.899 2.175 1.00 0.00 H new ATOM 385 N GLN A 24 -4.615 1.091 5.155 1.00 0.00 N ATOM 386 CA GLN A 24 -5.790 1.935 5.290 1.00 0.00 C ATOM 387 C GLN A 24 -6.027 2.287 6.760 1.00 0.00 C ATOM 388 O GLN A 24 -6.815 3.178 7.070 1.00 0.00 O ATOM 389 CB GLN A 24 -7.021 1.259 4.683 1.00 0.00 C ATOM 390 CG GLN A 24 -7.215 1.680 3.225 1.00 0.00 C ATOM 391 CD GLN A 24 -8.686 1.585 2.817 1.00 0.00 C ATOM 392 OE1 GLN A 24 -9.566 2.157 3.436 1.00 0.00 O ATOM 393 NE2 GLN A 24 -8.901 0.831 1.742 1.00 0.00 N ATOM 0 H GLN A 24 -4.714 0.156 5.550 1.00 0.00 H new ATOM 0 HA GLN A 24 -5.614 2.860 4.740 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -6.911 0.176 4.741 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.907 1.521 5.262 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -6.861 2.702 3.088 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.612 1.044 2.576 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -8.117 0.380 1.271 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -9.850 0.704 1.389 1.00 0.00 H new ATOM 402 N ARG A 25 -5.326 1.570 7.627 1.00 0.00 N ATOM 403 CA ARG A 25 -5.451 1.795 9.057 1.00 0.00 C ATOM 404 C ARG A 25 -4.202 2.496 9.594 1.00 0.00 C ATOM 405 O ARG A 25 -4.278 3.630 10.066 1.00 0.00 O ATOM 406 CB ARG A 25 -5.647 0.475 9.807 1.00 0.00 C ATOM 407 CG ARG A 25 -6.855 0.552 10.745 1.00 0.00 C ATOM 408 CD ARG A 25 -7.023 -0.750 11.529 1.00 0.00 C ATOM 409 NE ARG A 25 -7.596 -0.467 12.863 1.00 0.00 N ATOM 410 CZ ARG A 25 -6.965 0.243 13.822 1.00 0.00 C ATOM 411 NH1 ARG A 25 -5.732 0.747 13.602 1.00 0.00 N ATOM 412 NH2 ARG A 25 -7.570 0.435 14.978 1.00 0.00 N ATOM 0 H ARG A 25 -4.670 0.833 7.367 1.00 0.00 H new ATOM 0 HA ARG A 25 -6.325 2.426 9.219 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -5.788 -0.336 9.093 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.750 0.242 10.381 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -6.730 1.384 11.438 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -7.757 0.752 10.167 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -7.674 -1.432 10.982 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.059 -1.247 11.636 1.00 0.00 H new ATOM 0 HE ARG A 25 -8.526 -0.831 13.071 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -5.270 0.592 12.706 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -5.262 1.282 14.332 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -8.501 0.049 15.137 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -7.107 0.969 15.713 1.00 0.00 H new ATOM 425 N GLU A 26 -3.080 1.796 9.501 1.00 0.00 N ATOM 426 CA GLU A 26 -1.819 2.339 9.971 1.00 0.00 C ATOM 427 C GLU A 26 -1.436 3.577 9.157 1.00 0.00 C ATOM 428 O GLU A 26 -0.565 4.345 9.561 1.00 0.00 O ATOM 429 CB GLU A 26 -0.713 1.284 9.915 1.00 0.00 C ATOM 430 CG GLU A 26 0.424 1.727 8.993 1.00 0.00 C ATOM 431 CD GLU A 26 1.367 2.694 9.712 1.00 0.00 C ATOM 432 OE1 GLU A 26 2.410 3.070 9.157 1.00 0.00 O ATOM 433 OE2 GLU A 26 0.983 3.058 10.888 1.00 0.00 O ATOM 0 H GLU A 26 -3.020 0.857 9.107 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.941 2.637 11.012 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.324 1.107 10.918 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.125 0.339 9.561 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.982 0.855 8.653 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.012 2.208 8.106 1.00 0.00 H new ATOM 441 N ILE A 27 -2.107 3.731 8.025 1.00 0.00 N ATOM 442 CA ILE A 27 -1.849 4.862 7.149 1.00 0.00 C ATOM 443 C ILE A 27 -2.662 6.067 7.627 1.00 0.00 C ATOM 444 O ILE A 27 -3.394 5.975 8.610 1.00 0.00 O ATOM 445 CB ILE A 27 -2.110 4.481 5.692 1.00 0.00 C ATOM 446 CG1 ILE A 27 -1.020 5.039 4.774 1.00 0.00 C ATOM 447 CG2 ILE A 27 -3.508 4.920 5.253 1.00 0.00 C ATOM 448 CD1 ILE A 27 -1.455 4.986 3.308 1.00 0.00 C ATOM 0 H ILE A 27 -2.829 3.091 7.694 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.798 5.148 7.195 1.00 0.00 H new ATOM 0 HB ILE A 27 -2.073 3.395 5.612 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.797 6.069 5.053 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.102 4.467 4.905 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -3.668 4.637 4.213 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -4.256 4.435 5.880 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -3.598 6.002 5.353 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.662 5.389 2.678 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.654 3.952 3.025 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.360 5.579 3.175 1.00 0.00 H new ATOM 460 N LYS A 28 -2.505 7.168 6.906 1.00 0.00 N ATOM 461 CA LYS A 28 -3.216 8.389 7.246 1.00 0.00 C ATOM 462 C LYS A 28 -4.370 8.592 6.261 1.00 0.00 C ATOM 463 O LYS A 28 -4.307 9.463 5.396 1.00 0.00 O ATOM 464 CB LYS A 28 -2.248 9.572 7.309 1.00 0.00 C ATOM 465 CG LYS A 28 -1.506 9.748 5.981 1.00 0.00 C ATOM 466 CD LYS A 28 0.007 9.772 6.197 1.00 0.00 C ATOM 467 CE LYS A 28 0.531 8.380 6.559 1.00 0.00 C ATOM 468 NZ LYS A 28 0.375 8.129 8.009 1.00 0.00 N ATOM 0 H LYS A 28 -1.897 7.240 6.090 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.654 8.311 8.241 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.797 10.483 7.546 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -1.529 9.415 8.113 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.767 8.935 5.304 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.823 10.675 5.503 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.502 10.127 5.293 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.253 10.476 6.992 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.010 7.622 5.992 1.00 0.00 H new ATOM 0 HE3 LYS A 28 1.581 8.296 6.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 1.183 7.572 8.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.338 9.036 8.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.506 7.602 8.177 1.00 0.00 H new ATOM 481 N ASP A 29 -5.397 7.770 6.425 1.00 0.00 N ATOM 482 CA ASP A 29 -6.563 7.849 5.562 1.00 0.00 C ATOM 483 C ASP A 29 -7.577 8.820 6.168 1.00 0.00 C ATOM 484 O ASP A 29 -8.005 9.767 5.509 1.00 0.00 O ATOM 485 CB ASP A 29 -7.240 6.483 5.427 1.00 0.00 C ATOM 486 CG ASP A 29 -8.747 6.480 5.688 1.00 0.00 C ATOM 487 OD1 ASP A 29 -9.494 7.298 5.130 1.00 0.00 O ATOM 488 OD2 ASP A 29 -9.154 5.578 6.515 1.00 0.00 O ATOM 0 H ASP A 29 -5.445 7.047 7.142 1.00 0.00 H new ATOM 0 HA ASP A 29 -6.233 8.188 4.580 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.060 6.103 4.421 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -6.765 5.789 6.120 1.00 0.00 H new ATOM 494 N PRO A 30 -7.941 8.547 7.450 1.00 0.00 N ATOM 495 CA PRO A 30 -8.895 9.387 8.152 1.00 0.00 C ATOM 496 C PRO A 30 -8.254 10.708 8.579 1.00 0.00 C ATOM 497 O PRO A 30 -8.937 11.602 9.077 1.00 0.00 O ATOM 498 CB PRO A 30 -9.367 8.548 9.328 1.00 0.00 C ATOM 499 CG PRO A 30 -8.322 7.458 9.507 1.00 0.00 C ATOM 500 CD PRO A 30 -7.453 7.436 8.261 1.00 0.00 C ATOM 0 HA PRO A 30 -9.737 9.680 7.525 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -9.458 9.154 10.229 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -10.350 8.119 9.132 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -7.716 7.652 10.392 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -8.801 6.490 9.655 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -6.399 7.561 8.511 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -7.545 6.488 7.731 1.00 0.00 H new ATOM 508 N ARG A 31 -6.948 10.790 8.370 1.00 0.00 N ATOM 509 CA ARG A 31 -6.207 11.988 8.728 1.00 0.00 C ATOM 510 C ARG A 31 -6.209 12.981 7.564 1.00 0.00 C ATOM 511 O ARG A 31 -6.177 14.191 7.777 1.00 0.00 O ATOM 512 CB ARG A 31 -4.761 11.649 9.098 1.00 0.00 C ATOM 513 CG ARG A 31 -3.821 12.804 8.743 1.00 0.00 C ATOM 514 CD ARG A 31 -2.365 12.435 9.040 1.00 0.00 C ATOM 515 NE ARG A 31 -1.665 13.589 9.646 1.00 0.00 N ATOM 516 CZ ARG A 31 -1.877 14.027 10.906 1.00 0.00 C ATOM 517 NH1 ARG A 31 -2.774 13.409 11.704 1.00 0.00 N ATOM 518 NH2 ARG A 31 -1.196 15.068 11.344 1.00 0.00 N ATOM 0 H ARG A 31 -6.384 10.047 7.958 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.697 12.436 9.593 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.695 11.436 10.165 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -4.449 10.746 8.573 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.929 13.055 7.688 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -4.098 13.692 9.311 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.328 11.581 9.716 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -1.862 12.136 8.120 1.00 0.00 H new ATOM 0 HE ARG A 31 -0.979 14.085 9.077 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.297 12.605 11.356 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.928 13.746 12.654 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -0.521 15.529 10.734 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -1.344 15.412 12.293 1.00 0.00 H new ATOM 531 N LEU A 32 -6.248 12.432 6.360 1.00 0.00 N ATOM 532 CA LEU A 32 -6.255 13.254 5.162 1.00 0.00 C ATOM 533 C LEU A 32 -7.689 13.692 4.858 1.00 0.00 C ATOM 534 O LEU A 32 -7.909 14.595 4.051 1.00 0.00 O ATOM 535 CB LEU A 32 -5.579 12.519 4.002 1.00 0.00 C ATOM 536 CG LEU A 32 -4.054 12.638 3.933 1.00 0.00 C ATOM 537 CD1 LEU A 32 -3.451 12.778 5.331 1.00 0.00 C ATOM 538 CD2 LEU A 32 -3.449 11.464 3.162 1.00 0.00 C ATOM 0 H LEU A 32 -6.275 11.427 6.188 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.670 14.160 5.319 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.839 11.462 4.066 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.996 12.894 3.067 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.806 13.547 3.384 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.367 12.861 5.253 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.849 13.672 5.811 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.706 11.902 5.927 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.365 11.572 3.127 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.705 10.530 3.662 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.845 11.453 2.147 1.00 0.00 H new ATOM 550 N GLY A 33 -8.628 13.033 5.521 1.00 0.00 N ATOM 551 CA GLY A 33 -10.035 13.343 5.332 1.00 0.00 C ATOM 552 C GLY A 33 -10.602 12.605 4.117 1.00 0.00 C ATOM 553 O GLY A 33 -11.708 12.899 3.667 1.00 0.00 O ATOM 0 H GLY A 33 -8.442 12.286 6.190 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -10.595 13.065 6.225 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -10.159 14.418 5.200 1.00 0.00 H new ATOM 557 N MET A 34 -9.818 11.658 3.622 1.00 0.00 N ATOM 558 CA MET A 34 -10.227 10.875 2.469 1.00 0.00 C ATOM 559 C MET A 34 -9.718 9.435 2.575 1.00 0.00 C ATOM 560 O MET A 34 -8.794 9.155 3.337 1.00 0.00 O ATOM 561 CB MET A 34 -9.678 11.517 1.194 1.00 0.00 C ATOM 562 CG MET A 34 -9.899 13.030 1.204 1.00 0.00 C ATOM 563 SD MET A 34 -9.048 13.781 -0.175 1.00 0.00 S ATOM 564 CE MET A 34 -7.456 14.088 0.575 1.00 0.00 C ATOM 0 H MET A 34 -8.902 11.416 3.999 1.00 0.00 H new ATOM 0 HA MET A 34 -11.316 10.855 2.436 1.00 0.00 H new ATOM 0 HB2 MET A 34 -8.613 11.302 1.104 1.00 0.00 H new ATOM 0 HB3 MET A 34 -10.167 11.080 0.323 1.00 0.00 H new ATOM 0 HG2 MET A 34 -10.965 13.250 1.148 1.00 0.00 H new ATOM 0 HG3 MET A 34 -9.535 13.453 2.140 1.00 0.00 H new ATOM 0 HE1 MET A 34 -7.057 15.034 0.208 1.00 0.00 H new ATOM 0 HE2 MET A 34 -7.567 14.137 1.658 1.00 0.00 H new ATOM 0 HE3 MET A 34 -6.771 13.281 0.317 1.00 0.00 H new ATOM 574 N MET A 35 -10.343 8.562 1.801 1.00 0.00 N ATOM 575 CA MET A 35 -9.966 7.158 1.799 1.00 0.00 C ATOM 576 C MET A 35 -9.200 6.799 0.524 1.00 0.00 C ATOM 577 O MET A 35 -9.421 7.399 -0.527 1.00 0.00 O ATOM 578 CB MET A 35 -11.223 6.291 1.902 1.00 0.00 C ATOM 579 CG MET A 35 -10.894 4.918 2.493 1.00 0.00 C ATOM 580 SD MET A 35 -11.480 3.630 1.403 1.00 0.00 S ATOM 581 CE MET A 35 -12.871 3.034 2.348 1.00 0.00 C ATOM 0 H MET A 35 -11.109 8.799 1.170 1.00 0.00 H new ATOM 0 HA MET A 35 -9.317 6.974 2.655 1.00 0.00 H new ATOM 0 HB2 MET A 35 -11.964 6.791 2.525 1.00 0.00 H new ATOM 0 HB3 MET A 35 -11.667 6.169 0.914 1.00 0.00 H new ATOM 0 HG2 MET A 35 -9.818 4.823 2.637 1.00 0.00 H new ATOM 0 HG3 MET A 35 -11.357 4.814 3.474 1.00 0.00 H new ATOM 0 HE1 MET A 35 -13.356 2.221 1.808 1.00 0.00 H new ATOM 0 HE2 MET A 35 -12.525 2.672 3.316 1.00 0.00 H new ATOM 0 HE3 MET A 35 -13.583 3.845 2.498 1.00 0.00 H new ATOM 591 N THR A 36 -8.315 5.822 0.660 1.00 0.00 N ATOM 592 CA THR A 36 -7.515 5.375 -0.468 1.00 0.00 C ATOM 593 C THR A 36 -7.916 3.957 -0.878 1.00 0.00 C ATOM 594 O THR A 36 -8.699 3.306 -0.189 1.00 0.00 O ATOM 595 CB THR A 36 -6.041 5.502 -0.081 1.00 0.00 C ATOM 596 OG1 THR A 36 -5.420 4.380 -0.701 1.00 0.00 O ATOM 597 CG2 THR A 36 -5.805 5.278 1.415 1.00 0.00 C ATOM 0 H THR A 36 -8.134 5.328 1.534 1.00 0.00 H new ATOM 0 HA THR A 36 -7.690 5.995 -1.347 1.00 0.00 H new ATOM 0 HB THR A 36 -5.678 6.491 -0.362 1.00 0.00 H new ATOM 0 HG1 THR A 36 -4.460 4.386 -0.502 1.00 0.00 H new ATOM 0 HG21 THR A 36 -4.742 5.380 1.635 1.00 0.00 H new ATOM 0 HG22 THR A 36 -6.366 6.017 1.987 1.00 0.00 H new ATOM 0 HG23 THR A 36 -6.138 4.277 1.690 1.00 0.00 H new ATOM 605 N THR A 37 -7.359 3.520 -1.998 1.00 0.00 N ATOM 606 CA THR A 37 -7.650 2.190 -2.509 1.00 0.00 C ATOM 607 C THR A 37 -6.358 1.490 -2.936 1.00 0.00 C ATOM 608 O THR A 37 -5.310 2.124 -3.043 1.00 0.00 O ATOM 609 CB THR A 37 -8.669 2.330 -3.640 1.00 0.00 C ATOM 610 OG1 THR A 37 -9.929 2.330 -2.975 1.00 0.00 O ATOM 611 CG2 THR A 37 -8.721 1.092 -4.537 1.00 0.00 C ATOM 0 H THR A 37 -6.708 4.062 -2.566 1.00 0.00 H new ATOM 0 HA THR A 37 -8.087 1.556 -1.738 1.00 0.00 H new ATOM 0 HB THR A 37 -8.424 3.205 -4.242 1.00 0.00 H new ATOM 0 HG1 THR A 37 -10.647 2.419 -3.635 1.00 0.00 H new ATOM 0 HG21 THR A 37 -9.460 1.243 -5.324 1.00 0.00 H new ATOM 0 HG22 THR A 37 -7.742 0.927 -4.986 1.00 0.00 H new ATOM 0 HG23 THR A 37 -8.998 0.222 -3.941 1.00 0.00 H new ATOM 619 N VAL A 38 -6.477 0.192 -3.170 1.00 0.00 N ATOM 620 CA VAL A 38 -5.330 -0.601 -3.584 1.00 0.00 C ATOM 621 C VAL A 38 -5.638 -1.272 -4.925 1.00 0.00 C ATOM 622 O VAL A 38 -5.891 -2.475 -4.977 1.00 0.00 O ATOM 623 CB VAL A 38 -4.962 -1.601 -2.486 1.00 0.00 C ATOM 624 CG1 VAL A 38 -3.563 -2.177 -2.718 1.00 0.00 C ATOM 625 CG2 VAL A 38 -5.068 -0.958 -1.102 1.00 0.00 C ATOM 0 H VAL A 38 -7.348 -0.331 -3.081 1.00 0.00 H new ATOM 0 HA VAL A 38 -4.458 0.036 -3.731 1.00 0.00 H new ATOM 0 HB VAL A 38 -5.675 -2.424 -2.528 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.325 -2.885 -1.924 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.535 -2.688 -3.680 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.832 -1.369 -2.715 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.801 -1.690 -0.339 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.388 -0.108 -1.043 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -6.090 -0.617 -0.936 1.00 0.00 H new ATOM 635 N SER A 39 -5.609 -0.466 -5.974 1.00 0.00 N ATOM 636 CA SER A 39 -5.881 -0.966 -7.312 1.00 0.00 C ATOM 637 C SER A 39 -4.621 -1.607 -7.898 1.00 0.00 C ATOM 638 O SER A 39 -4.592 -1.962 -9.074 1.00 0.00 O ATOM 639 CB SER A 39 -6.383 0.153 -8.227 1.00 0.00 C ATOM 640 OG SER A 39 -7.648 -0.158 -8.805 1.00 0.00 O ATOM 0 H SER A 39 -5.401 0.531 -5.926 1.00 0.00 H new ATOM 0 HA SER A 39 -6.665 -1.720 -7.242 1.00 0.00 H new ATOM 0 HB2 SER A 39 -6.462 1.079 -7.658 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.655 0.327 -9.019 1.00 0.00 H new ATOM 0 HG SER A 39 -7.662 0.138 -9.739 1.00 0.00 H new ATOM 646 N GLY A 40 -3.611 -1.734 -7.050 1.00 0.00 N ATOM 647 CA GLY A 40 -2.352 -2.324 -7.469 1.00 0.00 C ATOM 648 C GLY A 40 -1.593 -2.905 -6.273 1.00 0.00 C ATOM 649 O GLY A 40 -1.388 -2.219 -5.272 1.00 0.00 O ATOM 0 H GLY A 40 -3.639 -1.438 -6.074 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.540 -3.109 -8.201 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.739 -1.569 -7.962 1.00 0.00 H new ATOM 653 N VAL A 41 -1.199 -4.161 -6.416 1.00 0.00 N ATOM 654 CA VAL A 41 -0.467 -4.840 -5.361 1.00 0.00 C ATOM 655 C VAL A 41 0.504 -5.845 -5.984 1.00 0.00 C ATOM 656 O VAL A 41 0.095 -6.718 -6.746 1.00 0.00 O ATOM 657 CB VAL A 41 -1.447 -5.486 -4.378 1.00 0.00 C ATOM 658 CG1 VAL A 41 -2.623 -6.126 -5.117 1.00 0.00 C ATOM 659 CG2 VAL A 41 -0.737 -6.509 -3.488 1.00 0.00 C ATOM 0 H VAL A 41 -1.373 -4.727 -7.247 1.00 0.00 H new ATOM 0 HA VAL A 41 0.127 -4.128 -4.788 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.843 -4.700 -3.735 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.304 -6.578 -4.395 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.153 -5.363 -5.688 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.252 -6.894 -5.795 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.456 -6.953 -2.799 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.300 -7.290 -4.109 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.051 -6.013 -2.921 1.00 0.00 H new ATOM 669 N GLU A 42 1.773 -5.687 -5.635 1.00 0.00 N ATOM 670 CA GLU A 42 2.805 -6.569 -6.151 1.00 0.00 C ATOM 671 C GLU A 42 3.716 -7.042 -5.014 1.00 0.00 C ATOM 672 O GLU A 42 4.259 -6.228 -4.269 1.00 0.00 O ATOM 673 CB GLU A 42 3.614 -5.881 -7.251 1.00 0.00 C ATOM 674 CG GLU A 42 2.703 -5.399 -8.382 1.00 0.00 C ATOM 675 CD GLU A 42 3.000 -3.941 -8.742 1.00 0.00 C ATOM 676 OE1 GLU A 42 2.718 -3.036 -7.942 1.00 0.00 O ATOM 677 OE2 GLU A 42 3.544 -3.764 -9.897 1.00 0.00 O ATOM 0 H GLU A 42 2.109 -4.962 -5.002 1.00 0.00 H new ATOM 0 HA GLU A 42 2.323 -7.442 -6.592 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.158 -5.035 -6.832 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.357 -6.573 -7.648 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.842 -6.030 -9.260 1.00 0.00 H new ATOM 0 HG3 GLU A 42 1.660 -5.498 -8.081 1.00 0.00 H new ATOM 685 N MET A 43 3.855 -8.355 -4.918 1.00 0.00 N ATOM 686 CA MET A 43 4.689 -8.947 -3.886 1.00 0.00 C ATOM 687 C MET A 43 5.655 -9.974 -4.483 1.00 0.00 C ATOM 688 O MET A 43 5.247 -11.077 -4.843 1.00 0.00 O ATOM 689 CB MET A 43 3.804 -9.625 -2.840 1.00 0.00 C ATOM 690 CG MET A 43 2.339 -9.219 -3.013 1.00 0.00 C ATOM 691 SD MET A 43 1.357 -9.887 -1.681 1.00 0.00 S ATOM 692 CE MET A 43 0.517 -8.407 -1.143 1.00 0.00 C ATOM 0 H MET A 43 3.404 -9.027 -5.539 1.00 0.00 H new ATOM 0 HA MET A 43 5.274 -8.155 -3.420 1.00 0.00 H new ATOM 0 HB2 MET A 43 3.897 -10.708 -2.926 1.00 0.00 H new ATOM 0 HB3 MET A 43 4.144 -9.354 -1.840 1.00 0.00 H new ATOM 0 HG2 MET A 43 2.254 -8.132 -3.029 1.00 0.00 H new ATOM 0 HG3 MET A 43 1.963 -9.582 -3.970 1.00 0.00 H new ATOM 0 HE1 MET A 43 0.586 -8.323 -0.058 1.00 0.00 H new ATOM 0 HE2 MET A 43 0.983 -7.536 -1.605 1.00 0.00 H new ATOM 0 HE3 MET A 43 -0.531 -8.456 -1.437 1.00 0.00 H new ATOM 702 N SER A 44 6.914 -9.575 -4.567 1.00 0.00 N ATOM 703 CA SER A 44 7.941 -10.447 -5.114 1.00 0.00 C ATOM 704 C SER A 44 8.889 -10.900 -4.001 1.00 0.00 C ATOM 705 O SER A 44 9.723 -10.123 -3.538 1.00 0.00 O ATOM 706 CB SER A 44 8.723 -9.747 -6.226 1.00 0.00 C ATOM 707 OG SER A 44 8.623 -10.440 -7.467 1.00 0.00 O ATOM 0 H SER A 44 7.248 -8.659 -4.266 1.00 0.00 H new ATOM 0 HA SER A 44 7.454 -11.321 -5.546 1.00 0.00 H new ATOM 0 HB2 SER A 44 8.349 -8.730 -6.347 1.00 0.00 H new ATOM 0 HB3 SER A 44 9.771 -9.669 -5.938 1.00 0.00 H new ATOM 0 HG SER A 44 8.842 -9.829 -8.201 1.00 0.00 H new ATOM 713 N ARG A 45 8.728 -12.154 -3.606 1.00 0.00 N ATOM 714 CA ARG A 45 9.560 -12.719 -2.556 1.00 0.00 C ATOM 715 C ARG A 45 10.647 -13.610 -3.162 1.00 0.00 C ATOM 716 O ARG A 45 11.483 -14.152 -2.441 1.00 0.00 O ATOM 717 CB ARG A 45 8.724 -13.542 -1.574 1.00 0.00 C ATOM 718 CG ARG A 45 7.263 -13.087 -1.583 1.00 0.00 C ATOM 719 CD ARG A 45 6.696 -13.037 -0.161 1.00 0.00 C ATOM 720 NE ARG A 45 5.855 -14.229 0.089 1.00 0.00 N ATOM 721 CZ ARG A 45 6.340 -15.435 0.450 1.00 0.00 C ATOM 722 NH1 ARG A 45 7.668 -15.620 0.605 1.00 0.00 N ATOM 723 NH2 ARG A 45 5.497 -16.431 0.649 1.00 0.00 N ATOM 0 H ARG A 45 8.035 -12.795 -3.993 1.00 0.00 H new ATOM 0 HA ARG A 45 10.022 -11.892 -2.017 1.00 0.00 H new ATOM 0 HB2 ARG A 45 8.781 -14.598 -1.838 1.00 0.00 H new ATOM 0 HB3 ARG A 45 9.134 -13.442 -0.569 1.00 0.00 H new ATOM 0 HG2 ARG A 45 7.188 -12.102 -2.043 1.00 0.00 H new ATOM 0 HG3 ARG A 45 6.669 -13.769 -2.191 1.00 0.00 H new ATOM 0 HD2 ARG A 45 7.510 -12.997 0.563 1.00 0.00 H new ATOM 0 HD3 ARG A 45 6.106 -12.130 -0.027 1.00 0.00 H new ATOM 0 HE ARG A 45 4.845 -14.133 -0.018 1.00 0.00 H new ATOM 0 HH11 ARG A 45 8.313 -14.845 0.449 1.00 0.00 H new ATOM 0 HH12 ARG A 45 8.027 -16.535 0.878 1.00 0.00 H new ATOM 0 HH21 ARG A 45 4.495 -16.283 0.529 1.00 0.00 H new ATOM 0 HH22 ARG A 45 5.848 -17.349 0.922 1.00 0.00 H new ATOM 736 N ASP A 46 10.597 -13.735 -4.480 1.00 0.00 N ATOM 737 CA ASP A 46 11.565 -14.552 -5.191 1.00 0.00 C ATOM 738 C ASP A 46 12.970 -13.996 -4.949 1.00 0.00 C ATOM 739 O ASP A 46 13.964 -14.671 -5.214 1.00 0.00 O ATOM 740 CB ASP A 46 11.302 -14.532 -6.698 1.00 0.00 C ATOM 741 CG ASP A 46 11.173 -15.909 -7.350 1.00 0.00 C ATOM 742 OD1 ASP A 46 12.058 -16.348 -8.101 1.00 0.00 O ATOM 743 OD2 ASP A 46 10.093 -16.553 -7.056 1.00 0.00 O ATOM 0 H ASP A 46 9.901 -13.284 -5.074 1.00 0.00 H new ATOM 0 HA ASP A 46 11.478 -15.574 -4.824 1.00 0.00 H new ATOM 0 HB2 ASP A 46 10.386 -13.971 -6.884 1.00 0.00 H new ATOM 0 HB3 ASP A 46 12.112 -13.990 -7.186 1.00 0.00 H new ATOM 749 N LEU A 47 13.008 -12.769 -4.449 1.00 0.00 N ATOM 750 CA LEU A 47 14.274 -12.113 -4.169 1.00 0.00 C ATOM 751 C LEU A 47 14.135 -11.267 -2.902 1.00 0.00 C ATOM 752 O LEU A 47 14.683 -11.615 -1.856 1.00 0.00 O ATOM 753 CB LEU A 47 14.750 -11.323 -5.388 1.00 0.00 C ATOM 754 CG LEU A 47 16.239 -11.432 -5.721 1.00 0.00 C ATOM 755 CD1 LEU A 47 16.448 -12.007 -7.122 1.00 0.00 C ATOM 756 CD2 LEU A 47 16.941 -10.084 -5.543 1.00 0.00 C ATOM 0 H LEU A 47 12.182 -12.212 -4.231 1.00 0.00 H new ATOM 0 HA LEU A 47 15.052 -12.852 -3.975 1.00 0.00 H new ATOM 0 HB2 LEU A 47 14.179 -11.654 -6.256 1.00 0.00 H new ATOM 0 HB3 LEU A 47 14.510 -10.272 -5.231 1.00 0.00 H new ATOM 0 HG LEU A 47 16.696 -12.128 -5.017 1.00 0.00 H new ATOM 0 HD11 LEU A 47 17.515 -12.073 -7.333 1.00 0.00 H new ATOM 0 HD12 LEU A 47 16.005 -13.001 -7.177 1.00 0.00 H new ATOM 0 HD13 LEU A 47 15.973 -11.357 -7.857 1.00 0.00 H new ATOM 0 HD21 LEU A 47 17.998 -10.189 -5.786 1.00 0.00 H new ATOM 0 HD22 LEU A 47 16.488 -9.347 -6.206 1.00 0.00 H new ATOM 0 HD23 LEU A 47 16.838 -9.754 -4.509 1.00 0.00 H new ATOM 768 N ALA A 48 13.402 -10.173 -3.037 1.00 0.00 N ATOM 769 CA ALA A 48 13.185 -9.273 -1.917 1.00 0.00 C ATOM 770 C ALA A 48 12.777 -7.897 -2.444 1.00 0.00 C ATOM 771 O ALA A 48 13.444 -6.900 -2.170 1.00 0.00 O ATOM 772 CB ALA A 48 14.449 -9.216 -1.055 1.00 0.00 C ATOM 0 H ALA A 48 12.950 -9.889 -3.906 1.00 0.00 H new ATOM 0 HA ALA A 48 12.375 -9.637 -1.285 1.00 0.00 H new ATOM 0 HB1 ALA A 48 14.286 -8.541 -0.215 1.00 0.00 H new ATOM 0 HB2 ALA A 48 14.679 -10.213 -0.680 1.00 0.00 H new ATOM 0 HB3 ALA A 48 15.283 -8.853 -1.656 1.00 0.00 H new ATOM 778 N TYR A 49 11.683 -7.885 -3.192 1.00 0.00 N ATOM 779 CA TYR A 49 11.178 -6.647 -3.761 1.00 0.00 C ATOM 780 C TYR A 49 9.671 -6.733 -4.008 1.00 0.00 C ATOM 781 O TYR A 49 9.186 -7.710 -4.579 1.00 0.00 O ATOM 782 CB TYR A 49 11.894 -6.477 -5.102 1.00 0.00 C ATOM 783 CG TYR A 49 11.578 -7.574 -6.121 1.00 0.00 C ATOM 784 CD1 TYR A 49 12.333 -8.727 -6.150 1.00 0.00 C ATOM 785 CD2 TYR A 49 10.535 -7.409 -7.011 1.00 0.00 C ATOM 786 CE1 TYR A 49 12.035 -9.761 -7.108 1.00 0.00 C ATOM 787 CE2 TYR A 49 10.237 -8.441 -7.970 1.00 0.00 C ATOM 788 CZ TYR A 49 11.002 -9.566 -7.971 1.00 0.00 C ATOM 789 OH TYR A 49 10.721 -10.541 -8.876 1.00 0.00 O ATOM 0 H TYR A 49 11.132 -8.713 -3.417 1.00 0.00 H new ATOM 0 HA TYR A 49 11.356 -5.812 -3.084 1.00 0.00 H new ATOM 0 HB2 TYR A 49 11.622 -5.511 -5.527 1.00 0.00 H new ATOM 0 HB3 TYR A 49 12.970 -6.457 -4.928 1.00 0.00 H new ATOM 0 HD1 TYR A 49 13.149 -8.855 -5.454 1.00 0.00 H new ATOM 0 HD2 TYR A 49 9.943 -6.506 -6.988 1.00 0.00 H new ATOM 0 HE1 TYR A 49 12.618 -10.669 -7.140 1.00 0.00 H new ATOM 0 HE2 TYR A 49 9.425 -8.325 -8.672 1.00 0.00 H new ATOM 0 HH TYR A 49 9.933 -11.043 -8.582 1.00 0.00 H new ATOM 799 N ALA A 50 8.971 -5.697 -3.566 1.00 0.00 N ATOM 800 CA ALA A 50 7.528 -5.644 -3.732 1.00 0.00 C ATOM 801 C ALA A 50 7.126 -4.245 -4.200 1.00 0.00 C ATOM 802 O ALA A 50 7.897 -3.295 -4.069 1.00 0.00 O ATOM 803 CB ALA A 50 6.848 -6.039 -2.420 1.00 0.00 C ATOM 0 H ALA A 50 9.376 -4.889 -3.094 1.00 0.00 H new ATOM 0 HA ALA A 50 7.202 -6.353 -4.493 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.766 -5.999 -2.545 1.00 0.00 H new ATOM 0 HB2 ALA A 50 7.145 -7.052 -2.147 1.00 0.00 H new ATOM 0 HB3 ALA A 50 7.148 -5.348 -1.632 1.00 0.00 H new ATOM 809 N LYS A 51 5.917 -4.159 -4.738 1.00 0.00 N ATOM 810 CA LYS A 51 5.402 -2.891 -5.227 1.00 0.00 C ATOM 811 C LYS A 51 3.911 -2.790 -4.898 1.00 0.00 C ATOM 812 O LYS A 51 3.079 -3.362 -5.598 1.00 0.00 O ATOM 813 CB LYS A 51 5.719 -2.723 -6.713 1.00 0.00 C ATOM 814 CG LYS A 51 6.726 -3.774 -7.183 1.00 0.00 C ATOM 815 CD LYS A 51 7.192 -3.487 -8.612 1.00 0.00 C ATOM 816 CE LYS A 51 8.561 -2.803 -8.615 1.00 0.00 C ATOM 817 NZ LYS A 51 8.987 -2.503 -10.000 1.00 0.00 N ATOM 0 H LYS A 51 5.279 -4.948 -4.846 1.00 0.00 H new ATOM 0 HA LYS A 51 5.895 -2.059 -4.725 1.00 0.00 H new ATOM 0 HB2 LYS A 51 4.802 -2.808 -7.296 1.00 0.00 H new ATOM 0 HB3 LYS A 51 6.120 -1.725 -6.892 1.00 0.00 H new ATOM 0 HG2 LYS A 51 7.585 -3.785 -6.512 1.00 0.00 H new ATOM 0 HG3 LYS A 51 6.272 -4.764 -7.137 1.00 0.00 H new ATOM 0 HD2 LYS A 51 7.246 -4.419 -9.175 1.00 0.00 H new ATOM 0 HD3 LYS A 51 6.463 -2.852 -9.116 1.00 0.00 H new ATOM 0 HE2 LYS A 51 8.515 -1.881 -8.035 1.00 0.00 H new ATOM 0 HE3 LYS A 51 9.297 -3.447 -8.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 9.918 -2.039 -9.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 9.050 -3.388 -10.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 8.293 -1.871 -10.448 1.00 0.00 H new ATOM 830 N VAL A 52 3.622 -2.059 -3.831 1.00 0.00 N ATOM 831 CA VAL A 52 2.246 -1.876 -3.402 1.00 0.00 C ATOM 832 C VAL A 52 1.734 -0.525 -3.907 1.00 0.00 C ATOM 833 O VAL A 52 2.374 0.504 -3.691 1.00 0.00 O ATOM 834 CB VAL A 52 2.148 -2.024 -1.883 1.00 0.00 C ATOM 835 CG1 VAL A 52 2.299 -0.668 -1.189 1.00 0.00 C ATOM 836 CG2 VAL A 52 0.836 -2.702 -1.482 1.00 0.00 C ATOM 0 H VAL A 52 4.316 -1.587 -3.252 1.00 0.00 H new ATOM 0 HA VAL A 52 1.606 -2.646 -3.832 1.00 0.00 H new ATOM 0 HB VAL A 52 2.969 -2.662 -1.555 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.225 -0.801 -0.110 1.00 0.00 H new ATOM 0 HG12 VAL A 52 3.270 -0.239 -1.436 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.509 0.003 -1.526 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.791 -2.795 -0.397 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.005 -2.102 -1.830 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.786 -3.693 -1.934 1.00 0.00 H new ATOM 846 N TYR A 53 0.587 -0.571 -4.566 1.00 0.00 N ATOM 847 CA TYR A 53 -0.017 0.637 -5.102 1.00 0.00 C ATOM 848 C TYR A 53 -1.084 1.185 -4.151 1.00 0.00 C ATOM 849 O TYR A 53 -1.691 0.431 -3.393 1.00 0.00 O ATOM 850 CB TYR A 53 -0.686 0.227 -6.417 1.00 0.00 C ATOM 851 CG TYR A 53 -0.356 1.145 -7.594 1.00 0.00 C ATOM 852 CD1 TYR A 53 0.960 1.370 -7.948 1.00 0.00 C ATOM 853 CD2 TYR A 53 -1.372 1.748 -8.305 1.00 0.00 C ATOM 854 CE1 TYR A 53 1.271 2.232 -9.056 1.00 0.00 C ATOM 855 CE2 TYR A 53 -1.062 2.613 -9.416 1.00 0.00 C ATOM 856 CZ TYR A 53 0.246 2.811 -9.735 1.00 0.00 C ATOM 857 OH TYR A 53 0.539 3.628 -10.784 1.00 0.00 O ATOM 0 H TYR A 53 0.059 -1.426 -4.741 1.00 0.00 H new ATOM 0 HA TYR A 53 0.736 1.413 -5.240 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -0.382 -0.790 -6.666 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -1.766 0.211 -6.274 1.00 0.00 H new ATOM 0 HD1 TYR A 53 1.756 0.898 -7.392 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -2.401 1.572 -8.029 1.00 0.00 H new ATOM 0 HE1 TYR A 53 2.296 2.415 -9.342 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -1.848 3.092 -9.981 1.00 0.00 H new ATOM 0 HH TYR A 53 0.150 4.514 -10.627 1.00 0.00 H new ATOM 867 N VAL A 54 -1.277 2.494 -4.222 1.00 0.00 N ATOM 868 CA VAL A 54 -2.260 3.151 -3.377 1.00 0.00 C ATOM 869 C VAL A 54 -2.753 4.423 -4.070 1.00 0.00 C ATOM 870 O VAL A 54 -1.951 5.263 -4.477 1.00 0.00 O ATOM 871 CB VAL A 54 -1.664 3.417 -1.992 1.00 0.00 C ATOM 872 CG1 VAL A 54 -1.850 2.207 -1.074 1.00 0.00 C ATOM 873 CG2 VAL A 54 -0.189 3.806 -2.095 1.00 0.00 C ATOM 0 H VAL A 54 -0.770 3.117 -4.851 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.126 2.507 -3.226 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.201 4.257 -1.552 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.418 2.422 -0.097 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.913 1.995 -0.962 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.351 1.341 -1.508 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.209 3.989 -1.097 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.369 2.996 -2.565 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.092 4.710 -2.696 1.00 0.00 H new ATOM 883 N THR A 55 -4.068 4.526 -4.182 1.00 0.00 N ATOM 884 CA THR A 55 -4.679 5.681 -4.819 1.00 0.00 C ATOM 885 C THR A 55 -5.468 6.499 -3.795 1.00 0.00 C ATOM 886 O THR A 55 -6.288 5.954 -3.059 1.00 0.00 O ATOM 887 CB THR A 55 -5.531 5.182 -5.986 1.00 0.00 C ATOM 888 OG1 THR A 55 -6.628 6.091 -6.029 1.00 0.00 O ATOM 889 CG2 THR A 55 -6.181 3.827 -5.700 1.00 0.00 C ATOM 0 H THR A 55 -4.729 3.828 -3.842 1.00 0.00 H new ATOM 0 HA THR A 55 -3.924 6.359 -5.217 1.00 0.00 H new ATOM 0 HB THR A 55 -4.912 5.106 -6.880 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.421 5.631 -6.375 1.00 0.00 H new ATOM 0 HG21 THR A 55 -6.774 3.519 -6.561 1.00 0.00 H new ATOM 0 HG22 THR A 55 -5.406 3.085 -5.509 1.00 0.00 H new ATOM 0 HG23 THR A 55 -6.826 3.910 -4.826 1.00 0.00 H new ATOM 897 N PHE A 56 -5.193 7.796 -3.783 1.00 0.00 N ATOM 898 CA PHE A 56 -5.867 8.695 -2.862 1.00 0.00 C ATOM 899 C PHE A 56 -6.599 9.805 -3.617 1.00 0.00 C ATOM 900 O PHE A 56 -6.370 10.005 -4.809 1.00 0.00 O ATOM 901 CB PHE A 56 -4.788 9.322 -1.977 1.00 0.00 C ATOM 902 CG PHE A 56 -3.753 8.322 -1.457 1.00 0.00 C ATOM 903 CD1 PHE A 56 -2.823 7.802 -2.304 1.00 0.00 C ATOM 904 CD2 PHE A 56 -3.759 7.956 -0.147 1.00 0.00 C ATOM 905 CE1 PHE A 56 -1.862 6.875 -1.820 1.00 0.00 C ATOM 906 CE2 PHE A 56 -2.798 7.028 0.336 1.00 0.00 C ATOM 907 CZ PHE A 56 -1.870 6.508 -0.511 1.00 0.00 C ATOM 0 H PHE A 56 -4.513 8.245 -4.396 1.00 0.00 H new ATOM 0 HA PHE A 56 -6.603 8.144 -2.277 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -4.275 10.100 -2.543 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -5.267 9.809 -1.127 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -2.816 8.094 -3.344 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.495 8.371 0.526 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.125 6.461 -2.492 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.804 6.736 1.376 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.139 5.803 -0.144 1.00 0.00 H new ATOM 917 N LEU A 57 -7.467 10.498 -2.892 1.00 0.00 N ATOM 918 CA LEU A 57 -8.233 11.584 -3.479 1.00 0.00 C ATOM 919 C LEU A 57 -7.579 12.918 -3.119 1.00 0.00 C ATOM 920 O LEU A 57 -8.179 13.976 -3.299 1.00 0.00 O ATOM 921 CB LEU A 57 -9.702 11.487 -3.063 1.00 0.00 C ATOM 922 CG LEU A 57 -10.702 12.223 -3.957 1.00 0.00 C ATOM 923 CD1 LEU A 57 -11.016 11.408 -5.215 1.00 0.00 C ATOM 924 CD2 LEU A 57 -11.969 12.587 -3.179 1.00 0.00 C ATOM 0 H LEU A 57 -7.656 10.328 -1.904 1.00 0.00 H new ATOM 0 HA LEU A 57 -8.227 11.510 -4.566 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -9.981 10.434 -3.030 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.798 11.874 -2.049 1.00 0.00 H new ATOM 0 HG LEU A 57 -10.245 13.157 -4.284 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -11.729 11.953 -5.833 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -10.098 11.242 -5.780 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -11.444 10.447 -4.929 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -12.663 13.109 -3.838 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -12.439 11.678 -2.804 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -11.708 13.233 -2.341 1.00 0.00 H new ATOM 936 N ASN A 58 -6.356 12.825 -2.617 1.00 0.00 N ATOM 937 CA ASN A 58 -5.613 14.013 -2.231 1.00 0.00 C ATOM 938 C ASN A 58 -5.517 14.961 -3.427 1.00 0.00 C ATOM 939 O ASN A 58 -5.288 16.157 -3.258 1.00 0.00 O ATOM 940 CB ASN A 58 -4.189 13.654 -1.797 1.00 0.00 C ATOM 941 CG ASN A 58 -4.027 13.796 -0.282 1.00 0.00 C ATOM 942 OD1 ASN A 58 -4.535 14.919 0.214 1.00 0.00 O flip ATOM 943 ND2 ASN A 58 -3.475 12.942 0.391 1.00 0.00 N flip ATOM 0 H ASN A 58 -5.861 11.945 -2.469 1.00 0.00 H new ATOM 0 HA ASN A 58 -6.137 14.483 -1.399 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -3.960 12.631 -2.097 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -3.475 14.302 -2.305 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -3.106 12.101 -0.054 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -3.382 13.068 1.399 1.00 0.00 H new ATOM 950 N ASP A 59 -5.697 14.391 -4.610 1.00 0.00 N ATOM 951 CA ASP A 59 -5.635 15.172 -5.834 1.00 0.00 C ATOM 952 C ASP A 59 -6.482 16.435 -5.673 1.00 0.00 C ATOM 953 O ASP A 59 -6.100 17.507 -6.137 1.00 0.00 O ATOM 954 CB ASP A 59 -6.187 14.380 -7.022 1.00 0.00 C ATOM 955 CG ASP A 59 -6.581 15.224 -8.234 1.00 0.00 C ATOM 956 OD1 ASP A 59 -5.719 15.678 -9.003 1.00 0.00 O ATOM 957 OD2 ASP A 59 -7.849 15.414 -8.380 1.00 0.00 O ATOM 0 H ASP A 59 -5.886 13.398 -4.747 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.591 15.422 -6.021 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.438 13.652 -7.333 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -7.060 13.818 -6.690 1.00 0.00 H new ATOM 963 N LYS A 60 -7.619 16.266 -5.012 1.00 0.00 N ATOM 964 CA LYS A 60 -8.524 17.380 -4.783 1.00 0.00 C ATOM 965 C LYS A 60 -7.711 18.630 -4.444 1.00 0.00 C ATOM 966 O LYS A 60 -8.007 19.721 -4.932 1.00 0.00 O ATOM 967 CB LYS A 60 -9.564 17.016 -3.722 1.00 0.00 C ATOM 968 CG LYS A 60 -10.827 16.441 -4.366 1.00 0.00 C ATOM 969 CD LYS A 60 -12.073 17.195 -3.899 1.00 0.00 C ATOM 970 CE LYS A 60 -12.452 16.796 -2.472 1.00 0.00 C ATOM 971 NZ LYS A 60 -13.822 17.256 -2.152 1.00 0.00 N ATOM 0 H LYS A 60 -7.934 15.375 -4.628 1.00 0.00 H new ATOM 0 HA LYS A 60 -9.090 17.603 -5.687 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.142 16.289 -3.028 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.819 17.901 -3.139 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -10.746 16.502 -5.451 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -10.920 15.385 -4.112 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -11.891 18.269 -3.944 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -12.904 16.984 -4.572 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -12.391 15.713 -2.362 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -11.743 17.229 -1.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -14.064 16.977 -1.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -13.869 18.291 -2.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -14.497 16.823 -2.814 1.00 0.00 H new ATOM 984 N ASP A 61 -6.700 18.432 -3.610 1.00 0.00 N ATOM 985 CA ASP A 61 -5.842 19.532 -3.199 1.00 0.00 C ATOM 986 C ASP A 61 -4.380 19.146 -3.434 1.00 0.00 C ATOM 987 O ASP A 61 -3.886 18.186 -2.845 1.00 0.00 O ATOM 988 CB ASP A 61 -6.017 19.840 -1.711 1.00 0.00 C ATOM 989 CG ASP A 61 -7.372 19.444 -1.123 1.00 0.00 C ATOM 990 OD1 ASP A 61 -7.571 18.299 -0.691 1.00 0.00 O ATOM 991 OD2 ASP A 61 -8.259 20.381 -1.117 1.00 0.00 O ATOM 0 H ASP A 61 -6.456 17.527 -3.208 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.115 20.411 -3.783 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -5.233 19.327 -1.155 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -5.870 20.909 -1.557 1.00 0.00 H new ATOM 997 N GLU A 62 -3.731 19.914 -4.296 1.00 0.00 N ATOM 998 CA GLU A 62 -2.335 19.666 -4.615 1.00 0.00 C ATOM 999 C GLU A 62 -1.455 19.940 -3.395 1.00 0.00 C ATOM 1000 O GLU A 62 -0.320 19.469 -3.326 1.00 0.00 O ATOM 1001 CB GLU A 62 -1.889 20.508 -5.813 1.00 0.00 C ATOM 1002 CG GLU A 62 -0.697 19.863 -6.522 1.00 0.00 C ATOM 1003 CD GLU A 62 0.092 20.899 -7.325 1.00 0.00 C ATOM 1004 OE1 GLU A 62 -0.240 21.165 -8.489 1.00 0.00 O ATOM 1005 OE2 GLU A 62 1.079 21.439 -6.695 1.00 0.00 O ATOM 0 H GLU A 62 -4.146 20.708 -4.784 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.226 18.617 -4.889 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.717 20.618 -6.513 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.619 21.510 -5.478 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.043 19.393 -5.787 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.049 19.074 -7.187 1.00 0.00 H new ATOM 1013 N ASP A 63 -2.009 20.699 -2.461 1.00 0.00 N ATOM 1014 CA ASP A 63 -1.288 21.039 -1.248 1.00 0.00 C ATOM 1015 C ASP A 63 -1.256 19.822 -0.320 1.00 0.00 C ATOM 1016 O ASP A 63 -0.230 19.534 0.294 1.00 0.00 O ATOM 1017 CB ASP A 63 -1.977 22.183 -0.501 1.00 0.00 C ATOM 1018 CG ASP A 63 -1.063 23.351 -0.124 1.00 0.00 C ATOM 1019 OD1 ASP A 63 -0.803 23.602 1.062 1.00 0.00 O ATOM 1020 OD2 ASP A 63 -0.606 24.029 -1.122 1.00 0.00 O ATOM 0 H ASP A 63 -2.950 21.088 -2.521 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.281 21.345 -1.529 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -2.791 22.563 -1.119 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -2.427 21.785 0.409 1.00 0.00 H new ATOM 1026 N ALA A 64 -2.390 19.143 -0.249 1.00 0.00 N ATOM 1027 CA ALA A 64 -2.505 17.964 0.593 1.00 0.00 C ATOM 1028 C ALA A 64 -1.902 16.762 -0.136 1.00 0.00 C ATOM 1029 O ALA A 64 -1.536 15.768 0.493 1.00 0.00 O ATOM 1030 CB ALA A 64 -3.972 17.743 0.968 1.00 0.00 C ATOM 0 H ALA A 64 -3.238 19.386 -0.761 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.950 18.100 1.521 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -4.057 16.859 1.599 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.344 18.613 1.510 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.562 17.600 0.062 1.00 0.00 H new ATOM 1036 N VAL A 65 -1.817 16.889 -1.452 1.00 0.00 N ATOM 1037 CA VAL A 65 -1.265 15.825 -2.273 1.00 0.00 C ATOM 1038 C VAL A 65 0.257 15.813 -2.130 1.00 0.00 C ATOM 1039 O VAL A 65 0.865 14.751 -2.008 1.00 0.00 O ATOM 1040 CB VAL A 65 -1.727 15.990 -3.722 1.00 0.00 C ATOM 1041 CG1 VAL A 65 -0.612 16.576 -4.590 1.00 0.00 C ATOM 1042 CG2 VAL A 65 -2.226 14.660 -4.294 1.00 0.00 C ATOM 0 H VAL A 65 -2.121 17.713 -1.970 1.00 0.00 H new ATOM 0 HA VAL A 65 -1.631 14.855 -1.937 1.00 0.00 H new ATOM 0 HB VAL A 65 -2.561 16.692 -3.729 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.967 16.683 -5.615 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.324 17.553 -4.202 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.251 15.910 -4.572 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -2.548 14.805 -5.325 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -1.420 13.927 -4.266 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.065 14.300 -3.699 1.00 0.00 H new ATOM 1052 N LYS A 66 0.832 17.008 -2.148 1.00 0.00 N ATOM 1053 CA LYS A 66 2.272 17.149 -2.020 1.00 0.00 C ATOM 1054 C LYS A 66 2.683 16.854 -0.578 1.00 0.00 C ATOM 1055 O LYS A 66 3.533 15.999 -0.333 1.00 0.00 O ATOM 1056 CB LYS A 66 2.723 18.523 -2.521 1.00 0.00 C ATOM 1057 CG LYS A 66 2.249 19.631 -1.578 1.00 0.00 C ATOM 1058 CD LYS A 66 2.524 21.014 -2.174 1.00 0.00 C ATOM 1059 CE LYS A 66 3.693 21.696 -1.461 1.00 0.00 C ATOM 1060 NZ LYS A 66 4.259 22.771 -2.305 1.00 0.00 N ATOM 0 H LYS A 66 0.325 17.887 -2.249 1.00 0.00 H new ATOM 0 HA LYS A 66 2.783 16.422 -2.651 1.00 0.00 H new ATOM 0 HB2 LYS A 66 3.810 18.547 -2.599 1.00 0.00 H new ATOM 0 HB3 LYS A 66 2.327 18.698 -3.522 1.00 0.00 H new ATOM 0 HG2 LYS A 66 1.182 19.519 -1.387 1.00 0.00 H new ATOM 0 HG3 LYS A 66 2.756 19.538 -0.618 1.00 0.00 H new ATOM 0 HD2 LYS A 66 2.748 20.918 -3.236 1.00 0.00 H new ATOM 0 HD3 LYS A 66 1.631 21.634 -2.091 1.00 0.00 H new ATOM 0 HE2 LYS A 66 3.355 22.111 -0.511 1.00 0.00 H new ATOM 0 HE3 LYS A 66 4.465 20.961 -1.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 5.051 23.223 -1.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 4.600 22.366 -3.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 3.524 23.480 -2.503 1.00 0.00 H new ATOM 1073 N ALA A 67 2.064 17.580 0.341 1.00 0.00 N ATOM 1074 CA ALA A 67 2.355 17.406 1.754 1.00 0.00 C ATOM 1075 C ALA A 67 1.957 15.993 2.182 1.00 0.00 C ATOM 1076 O ALA A 67 2.767 15.263 2.754 1.00 0.00 O ATOM 1077 CB ALA A 67 1.629 18.486 2.561 1.00 0.00 C ATOM 0 H ALA A 67 1.362 18.290 0.135 1.00 0.00 H new ATOM 0 HA ALA A 67 3.423 17.519 1.943 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.847 18.356 3.621 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.968 19.471 2.239 1.00 0.00 H new ATOM 0 HB3 ALA A 67 0.555 18.401 2.398 1.00 0.00 H new ATOM 1083 N GLY A 68 0.712 15.648 1.892 1.00 0.00 N ATOM 1084 CA GLY A 68 0.198 14.334 2.239 1.00 0.00 C ATOM 1085 C GLY A 68 1.151 13.232 1.773 1.00 0.00 C ATOM 1086 O GLY A 68 1.682 12.481 2.589 1.00 0.00 O ATOM 0 H GLY A 68 0.043 16.256 1.420 1.00 0.00 H new ATOM 0 HA2 GLY A 68 0.059 14.267 3.318 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -0.781 14.190 1.782 1.00 0.00 H new ATOM 1090 N ILE A 69 1.337 13.169 0.463 1.00 0.00 N ATOM 1091 CA ILE A 69 2.216 12.172 -0.122 1.00 0.00 C ATOM 1092 C ILE A 69 3.584 12.240 0.561 1.00 0.00 C ATOM 1093 O ILE A 69 4.262 11.223 0.705 1.00 0.00 O ATOM 1094 CB ILE A 69 2.280 12.337 -1.641 1.00 0.00 C ATOM 1095 CG1 ILE A 69 2.582 11.003 -2.326 1.00 0.00 C ATOM 1096 CG2 ILE A 69 3.284 13.423 -2.033 1.00 0.00 C ATOM 1097 CD1 ILE A 69 3.019 11.217 -3.777 1.00 0.00 C ATOM 0 H ILE A 69 0.893 13.793 -0.210 1.00 0.00 H new ATOM 0 HA ILE A 69 1.822 11.171 0.050 1.00 0.00 H new ATOM 0 HB ILE A 69 1.300 12.663 -1.990 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.367 10.479 -1.780 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.697 10.368 -2.299 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.310 13.520 -3.118 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.984 14.373 -1.591 1.00 0.00 H new ATOM 0 HG23 ILE A 69 4.275 13.151 -1.669 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.227 10.253 -4.240 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.223 11.719 -4.327 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.919 11.832 -3.799 1.00 0.00 H new ATOM 1109 N LYS A 70 3.948 13.448 0.965 1.00 0.00 N ATOM 1110 CA LYS A 70 5.222 13.662 1.630 1.00 0.00 C ATOM 1111 C LYS A 70 5.233 12.904 2.960 1.00 0.00 C ATOM 1112 O LYS A 70 6.269 12.389 3.377 1.00 0.00 O ATOM 1113 CB LYS A 70 5.508 15.158 1.773 1.00 0.00 C ATOM 1114 CG LYS A 70 6.723 15.567 0.937 1.00 0.00 C ATOM 1115 CD LYS A 70 6.290 16.145 -0.412 1.00 0.00 C ATOM 1116 CE LYS A 70 5.660 17.528 -0.239 1.00 0.00 C ATOM 1117 NZ LYS A 70 6.700 18.539 0.050 1.00 0.00 N ATOM 0 H LYS A 70 3.383 14.289 0.845 1.00 0.00 H new ATOM 0 HA LYS A 70 6.037 13.261 1.027 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.636 15.730 1.457 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.685 15.399 2.821 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.312 16.306 1.481 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.367 14.702 0.777 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.152 16.215 -1.075 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.576 15.473 -0.887 1.00 0.00 H new ATOM 0 HE2 LYS A 70 5.119 17.803 -1.144 1.00 0.00 H new ATOM 0 HE3 LYS A 70 4.933 17.504 0.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 6.292 19.492 -0.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 7.058 18.402 1.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.483 18.435 -0.627 1.00 0.00 H new ATOM 1130 N ALA A 71 4.067 12.861 3.588 1.00 0.00 N ATOM 1131 CA ALA A 71 3.929 12.176 4.861 1.00 0.00 C ATOM 1132 C ALA A 71 3.958 10.664 4.628 1.00 0.00 C ATOM 1133 O ALA A 71 4.533 9.920 5.422 1.00 0.00 O ATOM 1134 CB ALA A 71 2.643 12.634 5.553 1.00 0.00 C ATOM 0 H ALA A 71 3.210 13.289 3.239 1.00 0.00 H new ATOM 0 HA ALA A 71 4.760 12.425 5.521 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.541 12.119 6.508 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.685 13.710 5.723 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.786 12.400 4.921 1.00 0.00 H new ATOM 1140 N LEU A 72 3.331 10.254 3.535 1.00 0.00 N ATOM 1141 CA LEU A 72 3.277 8.844 3.187 1.00 0.00 C ATOM 1142 C LEU A 72 4.660 8.386 2.720 1.00 0.00 C ATOM 1143 O LEU A 72 4.974 7.197 2.770 1.00 0.00 O ATOM 1144 CB LEU A 72 2.167 8.586 2.166 1.00 0.00 C ATOM 1145 CG LEU A 72 1.579 7.174 2.157 1.00 0.00 C ATOM 1146 CD1 LEU A 72 0.813 6.890 3.451 1.00 0.00 C ATOM 1147 CD2 LEU A 72 0.714 6.948 0.916 1.00 0.00 C ATOM 0 H LEU A 72 2.856 10.874 2.879 1.00 0.00 H new ATOM 0 HA LEU A 72 3.020 8.245 4.061 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.359 9.294 2.351 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.558 8.802 1.172 1.00 0.00 H new ATOM 0 HG LEU A 72 2.402 6.462 2.109 1.00 0.00 H new ATOM 0 HD11 LEU A 72 0.405 5.880 3.418 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.489 6.981 4.301 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.002 7.607 3.556 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.308 5.936 0.935 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.105 7.667 0.907 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.321 7.079 0.020 1.00 0.00 H new ATOM 1159 N GLN A 73 5.451 9.352 2.277 1.00 0.00 N ATOM 1160 CA GLN A 73 6.794 9.064 1.802 1.00 0.00 C ATOM 1161 C GLN A 73 7.743 8.860 2.986 1.00 0.00 C ATOM 1162 O GLN A 73 8.518 7.905 3.006 1.00 0.00 O ATOM 1163 CB GLN A 73 7.298 10.171 0.879 1.00 0.00 C ATOM 1164 CG GLN A 73 8.189 9.601 -0.228 1.00 0.00 C ATOM 1165 CD GLN A 73 9.572 9.236 0.315 1.00 0.00 C ATOM 1166 OE1 GLN A 73 10.126 9.905 1.172 1.00 0.00 O ATOM 1167 NE2 GLN A 73 10.096 8.142 -0.230 1.00 0.00 N ATOM 0 H GLN A 73 5.187 10.336 2.237 1.00 0.00 H new ATOM 0 HA GLN A 73 6.764 8.141 1.223 1.00 0.00 H new ATOM 0 HB2 GLN A 73 6.450 10.693 0.435 1.00 0.00 H new ATOM 0 HB3 GLN A 73 7.857 10.906 1.458 1.00 0.00 H new ATOM 0 HG2 GLN A 73 7.719 8.717 -0.659 1.00 0.00 H new ATOM 0 HG3 GLN A 73 8.291 10.332 -1.030 1.00 0.00 H new ATOM 0 HE21 GLN A 73 9.578 7.629 -0.943 1.00 0.00 H new ATOM 0 HE22 GLN A 73 11.016 7.816 0.065 1.00 0.00 H new ATOM 1176 N GLU A 74 7.651 9.774 3.941 1.00 0.00 N ATOM 1177 CA GLU A 74 8.492 9.707 5.124 1.00 0.00 C ATOM 1178 C GLU A 74 8.120 8.488 5.971 1.00 0.00 C ATOM 1179 O GLU A 74 8.974 7.912 6.642 1.00 0.00 O ATOM 1180 CB GLU A 74 8.389 10.995 5.942 1.00 0.00 C ATOM 1181 CG GLU A 74 7.192 10.947 6.894 1.00 0.00 C ATOM 1182 CD GLU A 74 7.604 10.418 8.267 1.00 0.00 C ATOM 1183 OE1 GLU A 74 7.686 9.196 8.463 1.00 0.00 O ATOM 1184 OE2 GLU A 74 7.847 11.326 9.152 1.00 0.00 O ATOM 0 H GLU A 74 7.007 10.565 3.920 1.00 0.00 H new ATOM 0 HA GLU A 74 9.529 9.600 4.804 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.306 11.142 6.513 1.00 0.00 H new ATOM 0 HB3 GLU A 74 8.291 11.849 5.272 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.765 11.945 6.998 1.00 0.00 H new ATOM 0 HG3 GLU A 74 6.414 10.310 6.474 1.00 0.00 H new ATOM 1192 N ALA A 75 6.845 8.132 5.911 1.00 0.00 N ATOM 1193 CA ALA A 75 6.352 6.991 6.664 1.00 0.00 C ATOM 1194 C ALA A 75 6.532 5.719 5.833 1.00 0.00 C ATOM 1195 O ALA A 75 5.977 4.673 6.165 1.00 0.00 O ATOM 1196 CB ALA A 75 4.891 7.231 7.053 1.00 0.00 C ATOM 0 H ALA A 75 6.139 8.613 5.353 1.00 0.00 H new ATOM 0 HA ALA A 75 6.920 6.865 7.586 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.520 6.376 7.618 1.00 0.00 H new ATOM 0 HB2 ALA A 75 4.821 8.129 7.666 1.00 0.00 H new ATOM 0 HB3 ALA A 75 4.291 7.359 6.152 1.00 0.00 H new ATOM 1202 N SER A 76 7.312 5.851 4.769 1.00 0.00 N ATOM 1203 CA SER A 76 7.574 4.725 3.890 1.00 0.00 C ATOM 1204 C SER A 76 8.167 3.564 4.688 1.00 0.00 C ATOM 1205 O SER A 76 7.483 2.575 4.953 1.00 0.00 O ATOM 1206 CB SER A 76 8.515 5.123 2.751 1.00 0.00 C ATOM 1207 OG SER A 76 7.826 5.789 1.696 1.00 0.00 O ATOM 0 H SER A 76 7.770 6.721 4.497 1.00 0.00 H new ATOM 0 HA SER A 76 6.629 4.408 3.450 1.00 0.00 H new ATOM 0 HB2 SER A 76 9.299 5.773 3.139 1.00 0.00 H new ATOM 0 HB3 SER A 76 9.005 4.232 2.358 1.00 0.00 H new ATOM 0 HG SER A 76 8.106 6.728 1.664 1.00 0.00 H new ATOM 1213 N GLY A 77 9.432 3.721 5.049 1.00 0.00 N ATOM 1214 CA GLY A 77 10.124 2.697 5.812 1.00 0.00 C ATOM 1215 C GLY A 77 9.319 2.295 7.050 1.00 0.00 C ATOM 1216 O GLY A 77 9.547 1.232 7.625 1.00 0.00 O ATOM 0 H GLY A 77 9.995 4.542 4.827 1.00 0.00 H new ATOM 0 HA2 GLY A 77 10.292 1.822 5.184 1.00 0.00 H new ATOM 0 HA3 GLY A 77 11.104 3.065 6.115 1.00 0.00 H new ATOM 1220 N PHE A 78 8.393 3.167 7.421 1.00 0.00 N ATOM 1221 CA PHE A 78 7.552 2.917 8.580 1.00 0.00 C ATOM 1222 C PHE A 78 6.472 1.882 8.260 1.00 0.00 C ATOM 1223 O PHE A 78 6.196 0.997 9.070 1.00 0.00 O ATOM 1224 CB PHE A 78 6.880 4.244 8.940 1.00 0.00 C ATOM 1225 CG PHE A 78 7.343 4.832 10.275 1.00 0.00 C ATOM 1226 CD1 PHE A 78 7.044 4.195 11.439 1.00 0.00 C ATOM 1227 CD2 PHE A 78 8.049 5.994 10.297 1.00 0.00 C ATOM 1228 CE1 PHE A 78 7.472 4.741 12.677 1.00 0.00 C ATOM 1229 CE2 PHE A 78 8.477 6.541 11.536 1.00 0.00 C ATOM 1230 CZ PHE A 78 8.179 5.903 12.699 1.00 0.00 C ATOM 0 H PHE A 78 8.206 4.047 6.940 1.00 0.00 H new ATOM 0 HA PHE A 78 8.155 2.531 9.401 1.00 0.00 H new ATOM 0 HB2 PHE A 78 7.077 4.966 8.148 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.801 4.096 8.974 1.00 0.00 H new ATOM 0 HD1 PHE A 78 6.481 3.274 11.421 1.00 0.00 H new ATOM 0 HD2 PHE A 78 8.284 6.501 9.373 1.00 0.00 H new ATOM 0 HE1 PHE A 78 7.237 4.234 13.601 1.00 0.00 H new ATOM 0 HE2 PHE A 78 9.039 7.463 11.554 1.00 0.00 H new ATOM 0 HZ PHE A 78 8.504 6.319 13.641 1.00 0.00 H new ATOM 1240 N ILE A 79 5.888 2.027 7.080 1.00 0.00 N ATOM 1241 CA ILE A 79 4.845 1.116 6.644 1.00 0.00 C ATOM 1242 C ILE A 79 5.467 -0.236 6.293 1.00 0.00 C ATOM 1243 O ILE A 79 4.886 -1.284 6.576 1.00 0.00 O ATOM 1244 CB ILE A 79 4.037 1.736 5.501 1.00 0.00 C ATOM 1245 CG1 ILE A 79 4.957 2.219 4.378 1.00 0.00 C ATOM 1246 CG2 ILE A 79 3.125 2.851 6.015 1.00 0.00 C ATOM 1247 CD1 ILE A 79 4.174 2.431 3.080 1.00 0.00 C ATOM 0 H ILE A 79 6.118 2.763 6.412 1.00 0.00 H new ATOM 0 HA ILE A 79 4.133 0.939 7.450 1.00 0.00 H new ATOM 0 HB ILE A 79 3.394 0.963 5.080 1.00 0.00 H new ATOM 0 HG12 ILE A 79 5.438 3.152 4.673 1.00 0.00 H new ATOM 0 HG13 ILE A 79 5.750 1.489 4.214 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.563 3.274 5.182 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.432 2.444 6.751 1.00 0.00 H new ATOM 0 HG23 ILE A 79 3.729 3.631 6.478 1.00 0.00 H new ATOM 0 HD11 ILE A 79 4.852 2.774 2.298 1.00 0.00 H new ATOM 0 HD12 ILE A 79 3.714 1.491 2.775 1.00 0.00 H new ATOM 0 HD13 ILE A 79 3.398 3.179 3.241 1.00 0.00 H new ATOM 1259 N ARG A 80 6.643 -0.171 5.684 1.00 0.00 N ATOM 1260 CA ARG A 80 7.350 -1.379 5.293 1.00 0.00 C ATOM 1261 C ARG A 80 7.813 -2.148 6.531 1.00 0.00 C ATOM 1262 O ARG A 80 7.649 -3.364 6.609 1.00 0.00 O ATOM 1263 CB ARG A 80 8.565 -1.047 4.423 1.00 0.00 C ATOM 1264 CG ARG A 80 9.391 -2.302 4.136 1.00 0.00 C ATOM 1265 CD ARG A 80 10.870 -2.069 4.455 1.00 0.00 C ATOM 1266 NE ARG A 80 11.061 -1.962 5.919 1.00 0.00 N ATOM 1267 CZ ARG A 80 12.261 -1.811 6.517 1.00 0.00 C ATOM 1268 NH1 ARG A 80 13.391 -1.747 5.780 1.00 0.00 N ATOM 1269 NH2 ARG A 80 12.316 -1.727 7.833 1.00 0.00 N ATOM 0 H ARG A 80 7.123 0.699 5.452 1.00 0.00 H new ATOM 0 HA ARG A 80 6.660 -1.995 4.716 1.00 0.00 H new ATOM 0 HB2 ARG A 80 8.234 -0.602 3.484 1.00 0.00 H new ATOM 0 HB3 ARG A 80 9.186 -0.306 4.926 1.00 0.00 H new ATOM 0 HG2 ARG A 80 9.014 -3.134 4.730 1.00 0.00 H new ATOM 0 HG3 ARG A 80 9.281 -2.583 3.089 1.00 0.00 H new ATOM 0 HD2 ARG A 80 11.469 -2.890 4.061 1.00 0.00 H new ATOM 0 HD3 ARG A 80 11.217 -1.158 3.967 1.00 0.00 H new ATOM 0 HE ARG A 80 10.233 -2.005 6.513 1.00 0.00 H new ATOM 0 HH11 ARG A 80 13.341 -1.813 4.763 1.00 0.00 H new ATOM 0 HH12 ARG A 80 14.294 -1.633 6.240 1.00 0.00 H new ATOM 0 HH21 ARG A 80 11.459 -1.776 8.383 1.00 0.00 H new ATOM 0 HH22 ARG A 80 13.216 -1.613 8.300 1.00 0.00 H new ATOM 1282 N SER A 81 8.382 -1.406 7.470 1.00 0.00 N ATOM 1283 CA SER A 81 8.870 -2.003 8.702 1.00 0.00 C ATOM 1284 C SER A 81 7.691 -2.379 9.604 1.00 0.00 C ATOM 1285 O SER A 81 7.729 -3.402 10.284 1.00 0.00 O ATOM 1286 CB SER A 81 9.819 -1.053 9.437 1.00 0.00 C ATOM 1287 OG SER A 81 10.702 -1.752 10.310 1.00 0.00 O ATOM 0 H SER A 81 8.516 -0.397 7.403 1.00 0.00 H new ATOM 0 HA SER A 81 9.427 -2.905 8.448 1.00 0.00 H new ATOM 0 HB2 SER A 81 10.401 -0.487 8.710 1.00 0.00 H new ATOM 0 HB3 SER A 81 9.237 -0.331 10.011 1.00 0.00 H new ATOM 0 HG SER A 81 11.293 -1.112 10.759 1.00 0.00 H new ATOM 1293 N LEU A 82 6.675 -1.530 9.579 1.00 0.00 N ATOM 1294 CA LEU A 82 5.489 -1.760 10.387 1.00 0.00 C ATOM 1295 C LEU A 82 4.817 -3.060 9.938 1.00 0.00 C ATOM 1296 O LEU A 82 4.303 -3.813 10.765 1.00 0.00 O ATOM 1297 CB LEU A 82 4.564 -0.542 10.339 1.00 0.00 C ATOM 1298 CG LEU A 82 3.223 -0.690 11.062 1.00 0.00 C ATOM 1299 CD1 LEU A 82 2.748 0.656 11.614 1.00 0.00 C ATOM 1300 CD2 LEU A 82 2.178 -1.337 10.151 1.00 0.00 C ATOM 0 H LEU A 82 6.648 -0.682 9.013 1.00 0.00 H new ATOM 0 HA LEU A 82 5.760 -1.885 11.435 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.094 0.309 10.768 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.367 -0.301 9.294 1.00 0.00 H new ATOM 0 HG LEU A 82 3.364 -1.356 11.913 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.793 0.524 12.123 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.485 1.041 12.319 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.627 1.363 10.794 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.235 -1.431 10.689 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.032 -0.716 9.267 1.00 0.00 H new ATOM 0 HD23 LEU A 82 2.522 -2.326 9.847 1.00 0.00 H new ATOM 1312 N LEU A 83 4.843 -3.282 8.633 1.00 0.00 N ATOM 1313 CA LEU A 83 4.243 -4.478 8.065 1.00 0.00 C ATOM 1314 C LEU A 83 5.068 -5.699 8.472 1.00 0.00 C ATOM 1315 O LEU A 83 4.567 -6.592 9.155 1.00 0.00 O ATOM 1316 CB LEU A 83 4.073 -4.326 6.552 1.00 0.00 C ATOM 1317 CG LEU A 83 3.065 -3.272 6.092 1.00 0.00 C ATOM 1318 CD1 LEU A 83 3.485 -2.657 4.756 1.00 0.00 C ATOM 1319 CD2 LEU A 83 1.650 -3.853 6.036 1.00 0.00 C ATOM 0 H LEU A 83 5.270 -2.654 7.952 1.00 0.00 H new ATOM 0 HA LEU A 83 3.238 -4.625 8.461 1.00 0.00 H new ATOM 0 HB2 LEU A 83 5.044 -4.084 6.120 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.773 -5.290 6.142 1.00 0.00 H new ATOM 0 HG LEU A 83 3.054 -2.467 6.827 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.751 -1.911 4.452 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.461 -2.183 4.864 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.543 -3.438 3.998 1.00 0.00 H new ATOM 0 HD21 LEU A 83 0.953 -3.083 5.706 1.00 0.00 H new ATOM 0 HD22 LEU A 83 1.627 -4.688 5.335 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.361 -4.203 7.027 1.00 0.00 H new ATOM 1331 N GLY A 84 6.319 -5.701 8.037 1.00 0.00 N ATOM 1332 CA GLY A 84 7.218 -6.799 8.346 1.00 0.00 C ATOM 1333 C GLY A 84 7.059 -7.244 9.801 1.00 0.00 C ATOM 1334 O GLY A 84 7.063 -8.439 10.093 1.00 0.00 O ATOM 0 H GLY A 84 6.732 -4.959 7.472 1.00 0.00 H new ATOM 0 HA2 GLY A 84 7.015 -7.638 7.681 1.00 0.00 H new ATOM 0 HA3 GLY A 84 8.248 -6.492 8.166 1.00 0.00 H new ATOM 1338 N LYS A 85 6.920 -6.259 10.676 1.00 0.00 N ATOM 1339 CA LYS A 85 6.760 -6.535 12.094 1.00 0.00 C ATOM 1340 C LYS A 85 5.309 -6.938 12.370 1.00 0.00 C ATOM 1341 O LYS A 85 5.050 -7.822 13.186 1.00 0.00 O ATOM 1342 CB LYS A 85 7.234 -5.344 12.929 1.00 0.00 C ATOM 1343 CG LYS A 85 8.746 -5.405 13.159 1.00 0.00 C ATOM 1344 CD LYS A 85 9.299 -4.027 13.531 1.00 0.00 C ATOM 1345 CE LYS A 85 8.900 -3.644 14.957 1.00 0.00 C ATOM 1346 NZ LYS A 85 10.103 -3.360 15.773 1.00 0.00 N ATOM 0 H LYS A 85 6.915 -5.269 10.431 1.00 0.00 H new ATOM 0 HA LYS A 85 7.388 -7.375 12.391 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.977 -4.414 12.422 1.00 0.00 H new ATOM 0 HB3 LYS A 85 6.716 -5.338 13.888 1.00 0.00 H new ATOM 0 HG2 LYS A 85 8.968 -6.117 13.954 1.00 0.00 H new ATOM 0 HG3 LYS A 85 9.240 -5.768 12.258 1.00 0.00 H new ATOM 0 HD2 LYS A 85 10.385 -4.031 13.442 1.00 0.00 H new ATOM 0 HD3 LYS A 85 8.924 -3.280 12.831 1.00 0.00 H new ATOM 0 HE2 LYS A 85 8.252 -2.768 14.937 1.00 0.00 H new ATOM 0 HE3 LYS A 85 8.328 -4.453 15.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 9.815 -3.102 16.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 10.707 -4.206 15.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 10.633 -2.573 15.348 1.00 0.00 H new ATOM 1359 N ALA A 86 4.400 -6.272 11.672 1.00 0.00 N ATOM 1360 CA ALA A 86 2.982 -6.550 11.831 1.00 0.00 C ATOM 1361 C ALA A 86 2.703 -7.998 11.422 1.00 0.00 C ATOM 1362 O ALA A 86 1.784 -8.628 11.945 1.00 0.00 O ATOM 1363 CB ALA A 86 2.169 -5.546 11.012 1.00 0.00 C ATOM 0 H ALA A 86 4.618 -5.541 10.995 1.00 0.00 H new ATOM 0 HA ALA A 86 2.683 -6.437 12.873 1.00 0.00 H new ATOM 0 HB1 ALA A 86 1.106 -5.755 11.132 1.00 0.00 H new ATOM 0 HB2 ALA A 86 2.382 -4.535 11.360 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.439 -5.631 9.960 1.00 0.00 H new ATOM 1369 N MET A 87 3.512 -8.484 10.493 1.00 0.00 N ATOM 1370 CA MET A 87 3.363 -9.846 10.009 1.00 0.00 C ATOM 1371 C MET A 87 4.599 -10.683 10.340 1.00 0.00 C ATOM 1372 O MET A 87 4.797 -11.756 9.771 1.00 0.00 O ATOM 1373 CB MET A 87 3.148 -9.828 8.494 1.00 0.00 C ATOM 1374 CG MET A 87 2.339 -8.601 8.068 1.00 0.00 C ATOM 1375 SD MET A 87 1.975 -8.685 6.323 1.00 0.00 S ATOM 1376 CE MET A 87 1.560 -6.978 6.011 1.00 0.00 C ATOM 0 H MET A 87 4.273 -7.959 10.062 1.00 0.00 H new ATOM 0 HA MET A 87 2.501 -10.295 10.502 1.00 0.00 H new ATOM 0 HB2 MET A 87 4.113 -9.826 7.987 1.00 0.00 H new ATOM 0 HB3 MET A 87 2.628 -10.735 8.186 1.00 0.00 H new ATOM 0 HG2 MET A 87 1.412 -8.550 8.639 1.00 0.00 H new ATOM 0 HG3 MET A 87 2.899 -7.692 8.288 1.00 0.00 H new ATOM 0 HE1 MET A 87 0.531 -6.913 5.656 1.00 0.00 H new ATOM 0 HE2 MET A 87 1.663 -6.404 6.932 1.00 0.00 H new ATOM 0 HE3 MET A 87 2.231 -6.573 5.254 1.00 0.00 H new ATOM 1386 N ARG A 88 5.399 -10.162 11.258 1.00 0.00 N ATOM 1387 CA ARG A 88 6.611 -10.851 11.673 1.00 0.00 C ATOM 1388 C ARG A 88 7.061 -11.830 10.588 1.00 0.00 C ATOM 1389 O ARG A 88 6.847 -13.036 10.708 1.00 0.00 O ATOM 1390 CB ARG A 88 6.392 -11.611 12.981 1.00 0.00 C ATOM 1391 CG ARG A 88 6.318 -10.650 14.168 1.00 0.00 C ATOM 1392 CD ARG A 88 6.331 -11.416 15.494 1.00 0.00 C ATOM 1393 NE ARG A 88 5.336 -10.834 16.423 1.00 0.00 N ATOM 1394 CZ ARG A 88 4.006 -10.812 16.192 1.00 0.00 C ATOM 1395 NH1 ARG A 88 3.500 -11.341 15.058 1.00 0.00 N ATOM 1396 NH2 ARG A 88 3.208 -10.268 17.092 1.00 0.00 N ATOM 0 H ARG A 88 5.233 -9.271 11.727 1.00 0.00 H new ATOM 0 HA ARG A 88 7.384 -10.099 11.831 1.00 0.00 H new ATOM 0 HB2 ARG A 88 5.470 -12.190 12.919 1.00 0.00 H new ATOM 0 HB3 ARG A 88 7.205 -12.321 13.134 1.00 0.00 H new ATOM 0 HG2 ARG A 88 7.160 -9.959 14.134 1.00 0.00 H new ATOM 0 HG3 ARG A 88 5.411 -10.050 14.099 1.00 0.00 H new ATOM 0 HD2 ARG A 88 6.105 -12.468 15.318 1.00 0.00 H new ATOM 0 HD3 ARG A 88 7.325 -11.373 15.939 1.00 0.00 H new ATOM 0 HE ARG A 88 5.677 -10.424 17.292 1.00 0.00 H new ATOM 0 HH11 ARG A 88 4.124 -11.761 14.369 1.00 0.00 H new ATOM 0 HH12 ARG A 88 2.494 -11.321 14.890 1.00 0.00 H new ATOM 0 HH21 ARG A 88 3.599 -9.872 17.947 1.00 0.00 H new ATOM 0 HH22 ARG A 88 2.201 -10.244 16.932 1.00 0.00 H new ATOM 1409 N LEU A 89 7.678 -11.277 9.553 1.00 0.00 N ATOM 1410 CA LEU A 89 8.160 -12.089 8.449 1.00 0.00 C ATOM 1411 C LEU A 89 9.683 -11.983 8.371 1.00 0.00 C ATOM 1412 O LEU A 89 10.350 -11.814 9.391 1.00 0.00 O ATOM 1413 CB LEU A 89 7.450 -11.702 7.149 1.00 0.00 C ATOM 1414 CG LEU A 89 7.126 -12.852 6.194 1.00 0.00 C ATOM 1415 CD1 LEU A 89 6.390 -13.979 6.922 1.00 0.00 C ATOM 1416 CD2 LEU A 89 6.344 -12.351 4.978 1.00 0.00 C ATOM 0 H LEU A 89 7.855 -10.277 9.456 1.00 0.00 H new ATOM 0 HA LEU A 89 7.921 -13.139 8.616 1.00 0.00 H new ATOM 0 HB2 LEU A 89 6.520 -11.194 7.404 1.00 0.00 H new ATOM 0 HB3 LEU A 89 8.072 -10.980 6.619 1.00 0.00 H new ATOM 0 HG LEU A 89 8.065 -13.265 5.826 1.00 0.00 H new ATOM 0 HD11 LEU A 89 6.172 -14.784 6.220 1.00 0.00 H new ATOM 0 HD12 LEU A 89 7.016 -14.361 7.729 1.00 0.00 H new ATOM 0 HD13 LEU A 89 5.457 -13.596 7.337 1.00 0.00 H new ATOM 0 HD21 LEU A 89 6.126 -13.188 4.315 1.00 0.00 H new ATOM 0 HD22 LEU A 89 5.410 -11.897 5.308 1.00 0.00 H new ATOM 0 HD23 LEU A 89 6.938 -11.610 4.443 1.00 0.00 H new ATOM 1428 N ARG A 90 10.192 -12.087 7.151 1.00 0.00 N ATOM 1429 CA ARG A 90 11.625 -12.006 6.928 1.00 0.00 C ATOM 1430 C ARG A 90 11.914 -11.492 5.516 1.00 0.00 C ATOM 1431 O ARG A 90 12.790 -10.650 5.325 1.00 0.00 O ATOM 1432 CB ARG A 90 12.290 -13.371 7.113 1.00 0.00 C ATOM 1433 CG ARG A 90 11.396 -14.493 6.582 1.00 0.00 C ATOM 1434 CD ARG A 90 12.147 -15.359 5.569 1.00 0.00 C ATOM 1435 NE ARG A 90 11.195 -16.225 4.838 1.00 0.00 N ATOM 1436 CZ ARG A 90 11.520 -16.962 3.755 1.00 0.00 C ATOM 1437 NH1 ARG A 90 12.780 -16.946 3.267 1.00 0.00 N ATOM 1438 NH2 ARG A 90 10.589 -17.698 3.180 1.00 0.00 N ATOM 0 H ARG A 90 9.637 -12.227 6.307 1.00 0.00 H new ATOM 0 HA ARG A 90 12.036 -11.313 7.662 1.00 0.00 H new ATOM 0 HB2 ARG A 90 13.247 -13.387 6.592 1.00 0.00 H new ATOM 0 HB3 ARG A 90 12.499 -13.537 8.170 1.00 0.00 H new ATOM 0 HG2 ARG A 90 11.052 -15.112 7.411 1.00 0.00 H new ATOM 0 HG3 ARG A 90 10.509 -14.066 6.114 1.00 0.00 H new ATOM 0 HD2 ARG A 90 12.688 -14.725 4.866 1.00 0.00 H new ATOM 0 HD3 ARG A 90 12.889 -15.972 6.081 1.00 0.00 H new ATOM 0 HE ARG A 90 10.233 -16.268 5.174 1.00 0.00 H new ATOM 0 HH11 ARG A 90 13.494 -16.374 3.718 1.00 0.00 H new ATOM 0 HH12 ARG A 90 13.017 -17.506 2.448 1.00 0.00 H new ATOM 0 HH21 ARG A 90 9.640 -17.704 3.555 1.00 0.00 H new ATOM 0 HH22 ARG A 90 10.818 -18.261 2.361 1.00 0.00 H new ATOM 1451 N ILE A 91 11.160 -12.021 4.564 1.00 0.00 N ATOM 1452 CA ILE A 91 11.323 -11.627 3.174 1.00 0.00 C ATOM 1453 C ILE A 91 11.627 -10.128 3.106 1.00 0.00 C ATOM 1454 O ILE A 91 12.383 -9.684 2.244 1.00 0.00 O ATOM 1455 CB ILE A 91 10.103 -12.044 2.351 1.00 0.00 C ATOM 1456 CG1 ILE A 91 8.805 -11.735 3.100 1.00 0.00 C ATOM 1457 CG2 ILE A 91 10.194 -13.516 1.945 1.00 0.00 C ATOM 1458 CD1 ILE A 91 7.787 -11.059 2.179 1.00 0.00 C ATOM 0 H ILE A 91 10.434 -12.719 4.727 1.00 0.00 H new ATOM 0 HA ILE A 91 12.171 -12.146 2.728 1.00 0.00 H new ATOM 0 HB ILE A 91 10.092 -11.456 1.433 1.00 0.00 H new ATOM 0 HG12 ILE A 91 8.383 -12.657 3.499 1.00 0.00 H new ATOM 0 HG13 ILE A 91 9.017 -11.087 3.951 1.00 0.00 H new ATOM 0 HG21 ILE A 91 9.315 -13.787 1.361 1.00 0.00 H new ATOM 0 HG22 ILE A 91 11.091 -13.673 1.345 1.00 0.00 H new ATOM 0 HG23 ILE A 91 10.242 -14.138 2.839 1.00 0.00 H new ATOM 0 HD11 ILE A 91 6.874 -10.851 2.737 1.00 0.00 H new ATOM 0 HD12 ILE A 91 8.202 -10.125 1.801 1.00 0.00 H new ATOM 0 HD13 ILE A 91 7.558 -11.719 1.342 1.00 0.00 H new ATOM 1470 N VAL A 92 11.023 -9.391 4.027 1.00 0.00 N ATOM 1471 CA VAL A 92 11.220 -7.953 4.083 1.00 0.00 C ATOM 1472 C VAL A 92 11.655 -7.449 2.705 1.00 0.00 C ATOM 1473 O VAL A 92 12.739 -6.886 2.560 1.00 0.00 O ATOM 1474 CB VAL A 92 12.218 -7.604 5.189 1.00 0.00 C ATOM 1475 CG1 VAL A 92 12.355 -6.088 5.344 1.00 0.00 C ATOM 1476 CG2 VAL A 92 11.816 -8.255 6.515 1.00 0.00 C ATOM 0 H VAL A 92 10.397 -9.764 4.741 1.00 0.00 H new ATOM 0 HA VAL A 92 10.287 -7.449 4.335 1.00 0.00 H new ATOM 0 HB VAL A 92 13.191 -8.002 4.901 1.00 0.00 H new ATOM 0 HG11 VAL A 92 13.070 -5.866 6.136 1.00 0.00 H new ATOM 0 HG12 VAL A 92 12.707 -5.657 4.407 1.00 0.00 H new ATOM 0 HG13 VAL A 92 11.386 -5.659 5.599 1.00 0.00 H new ATOM 0 HG21 VAL A 92 12.542 -7.991 7.284 1.00 0.00 H new ATOM 0 HG22 VAL A 92 10.829 -7.900 6.810 1.00 0.00 H new ATOM 0 HG23 VAL A 92 11.791 -9.338 6.396 1.00 0.00 H new ATOM 1486 N PRO A 93 10.765 -7.676 1.702 1.00 0.00 N ATOM 1487 CA PRO A 93 11.046 -7.251 0.342 1.00 0.00 C ATOM 1488 C PRO A 93 10.880 -5.737 0.196 1.00 0.00 C ATOM 1489 O PRO A 93 10.154 -5.111 0.967 1.00 0.00 O ATOM 1490 CB PRO A 93 10.079 -8.041 -0.524 1.00 0.00 C ATOM 1491 CG PRO A 93 8.984 -8.528 0.410 1.00 0.00 C ATOM 1492 CD PRO A 93 9.471 -8.339 1.838 1.00 0.00 C ATOM 0 HA PRO A 93 12.076 -7.445 0.044 1.00 0.00 H new ATOM 0 HB2 PRO A 93 9.667 -7.418 -1.317 1.00 0.00 H new ATOM 0 HB3 PRO A 93 10.582 -8.879 -1.006 1.00 0.00 H new ATOM 0 HG2 PRO A 93 8.063 -7.969 0.243 1.00 0.00 H new ATOM 0 HG3 PRO A 93 8.758 -9.577 0.219 1.00 0.00 H new ATOM 0 HD2 PRO A 93 8.774 -7.733 2.417 1.00 0.00 H new ATOM 0 HD3 PRO A 93 9.568 -9.295 2.354 1.00 0.00 H new ATOM 1500 N GLU A 94 11.564 -5.193 -0.801 1.00 0.00 N ATOM 1501 CA GLU A 94 11.500 -3.764 -1.059 1.00 0.00 C ATOM 1502 C GLU A 94 10.101 -3.372 -1.534 1.00 0.00 C ATOM 1503 O GLU A 94 9.928 -2.923 -2.666 1.00 0.00 O ATOM 1504 CB GLU A 94 12.562 -3.343 -2.076 1.00 0.00 C ATOM 1505 CG GLU A 94 13.338 -2.118 -1.586 1.00 0.00 C ATOM 1506 CD GLU A 94 14.537 -1.831 -2.490 1.00 0.00 C ATOM 1507 OE1 GLU A 94 14.484 -0.908 -3.317 1.00 0.00 O ATOM 1508 OE2 GLU A 94 15.553 -2.606 -2.311 1.00 0.00 O ATOM 0 H GLU A 94 12.164 -5.716 -1.439 1.00 0.00 H new ATOM 0 HA GLU A 94 11.706 -3.237 -0.127 1.00 0.00 H new ATOM 0 HB2 GLU A 94 13.252 -4.169 -2.249 1.00 0.00 H new ATOM 0 HB3 GLU A 94 12.087 -3.119 -3.031 1.00 0.00 H new ATOM 0 HG2 GLU A 94 12.679 -1.250 -1.564 1.00 0.00 H new ATOM 0 HG3 GLU A 94 13.680 -2.284 -0.564 1.00 0.00 H new ATOM 1516 N LEU A 95 9.135 -3.554 -0.645 1.00 0.00 N ATOM 1517 CA LEU A 95 7.756 -3.224 -0.959 1.00 0.00 C ATOM 1518 C LEU A 95 7.606 -1.704 -1.052 1.00 0.00 C ATOM 1519 O LEU A 95 7.331 -1.042 -0.053 1.00 0.00 O ATOM 1520 CB LEU A 95 6.806 -3.875 0.050 1.00 0.00 C ATOM 1521 CG LEU A 95 7.164 -3.688 1.525 1.00 0.00 C ATOM 1522 CD1 LEU A 95 6.128 -2.814 2.234 1.00 0.00 C ATOM 1523 CD2 LEU A 95 7.348 -5.038 2.220 1.00 0.00 C ATOM 0 H LEU A 95 9.281 -3.926 0.293 1.00 0.00 H new ATOM 0 HA LEU A 95 7.480 -3.631 -1.932 1.00 0.00 H new ATOM 0 HB2 LEU A 95 5.805 -3.476 -0.114 1.00 0.00 H new ATOM 0 HB3 LEU A 95 6.762 -4.944 -0.160 1.00 0.00 H new ATOM 0 HG LEU A 95 8.119 -3.165 1.581 1.00 0.00 H new ATOM 0 HD11 LEU A 95 6.406 -2.697 3.281 1.00 0.00 H new ATOM 0 HD12 LEU A 95 6.090 -1.835 1.757 1.00 0.00 H new ATOM 0 HD13 LEU A 95 5.148 -3.287 2.170 1.00 0.00 H new ATOM 0 HD21 LEU A 95 7.602 -4.876 3.268 1.00 0.00 H new ATOM 0 HD22 LEU A 95 6.422 -5.610 2.155 1.00 0.00 H new ATOM 0 HD23 LEU A 95 8.151 -5.591 1.733 1.00 0.00 H new ATOM 1535 N THR A 96 7.796 -1.196 -2.261 1.00 0.00 N ATOM 1536 CA THR A 96 7.686 0.233 -2.497 1.00 0.00 C ATOM 1537 C THR A 96 6.237 0.692 -2.329 1.00 0.00 C ATOM 1538 O THR A 96 5.316 -0.123 -2.361 1.00 0.00 O ATOM 1539 CB THR A 96 8.262 0.529 -3.884 1.00 0.00 C ATOM 1540 OG1 THR A 96 8.321 1.951 -3.939 1.00 0.00 O ATOM 1541 CG2 THR A 96 7.296 0.151 -5.010 1.00 0.00 C ATOM 0 H THR A 96 8.025 -1.749 -3.087 1.00 0.00 H new ATOM 0 HA THR A 96 8.259 0.800 -1.764 1.00 0.00 H new ATOM 0 HB THR A 96 9.199 -0.013 -4.012 1.00 0.00 H new ATOM 0 HG1 THR A 96 8.685 2.230 -4.805 1.00 0.00 H new ATOM 0 HG21 THR A 96 7.752 0.381 -5.973 1.00 0.00 H new ATOM 0 HG22 THR A 96 7.076 -0.915 -4.958 1.00 0.00 H new ATOM 0 HG23 THR A 96 6.371 0.718 -4.902 1.00 0.00 H new ATOM 1549 N PHE A 97 6.079 1.996 -2.157 1.00 0.00 N ATOM 1550 CA PHE A 97 4.756 2.573 -1.984 1.00 0.00 C ATOM 1551 C PHE A 97 4.428 3.543 -3.122 1.00 0.00 C ATOM 1552 O PHE A 97 4.961 4.651 -3.170 1.00 0.00 O ATOM 1553 CB PHE A 97 4.772 3.343 -0.662 1.00 0.00 C ATOM 1554 CG PHE A 97 3.567 3.062 0.236 1.00 0.00 C ATOM 1555 CD1 PHE A 97 3.138 1.784 0.419 1.00 0.00 C ATOM 1556 CD2 PHE A 97 2.924 4.091 0.853 1.00 0.00 C ATOM 1557 CE1 PHE A 97 2.020 1.524 1.254 1.00 0.00 C ATOM 1558 CE2 PHE A 97 1.806 3.829 1.689 1.00 0.00 C ATOM 1559 CZ PHE A 97 1.377 2.552 1.870 1.00 0.00 C ATOM 0 H PHE A 97 6.845 2.670 -2.134 1.00 0.00 H new ATOM 0 HA PHE A 97 4.003 1.785 -1.986 1.00 0.00 H new ATOM 0 HB2 PHE A 97 5.683 3.093 -0.119 1.00 0.00 H new ATOM 0 HB3 PHE A 97 4.812 4.411 -0.876 1.00 0.00 H new ATOM 0 HD1 PHE A 97 3.648 0.968 -0.071 1.00 0.00 H new ATOM 0 HD2 PHE A 97 3.264 5.106 0.707 1.00 0.00 H new ATOM 0 HE1 PHE A 97 1.680 0.509 1.400 1.00 0.00 H new ATOM 0 HE2 PHE A 97 1.297 4.645 2.181 1.00 0.00 H new ATOM 0 HZ PHE A 97 0.525 2.354 2.503 1.00 0.00 H new ATOM 1569 N PHE A 98 3.555 3.089 -4.009 1.00 0.00 N ATOM 1570 CA PHE A 98 3.151 3.904 -5.142 1.00 0.00 C ATOM 1571 C PHE A 98 1.847 4.647 -4.847 1.00 0.00 C ATOM 1572 O PHE A 98 0.821 4.026 -4.573 1.00 0.00 O ATOM 1573 CB PHE A 98 2.924 2.950 -6.318 1.00 0.00 C ATOM 1574 CG PHE A 98 3.949 3.100 -7.446 1.00 0.00 C ATOM 1575 CD1 PHE A 98 3.934 4.208 -8.235 1.00 0.00 C ATOM 1576 CD2 PHE A 98 4.872 2.125 -7.659 1.00 0.00 C ATOM 1577 CE1 PHE A 98 4.884 4.347 -9.282 1.00 0.00 C ATOM 1578 CE2 PHE A 98 5.824 2.264 -8.705 1.00 0.00 C ATOM 1579 CZ PHE A 98 5.809 3.372 -9.494 1.00 0.00 C ATOM 0 H PHE A 98 3.117 2.169 -3.966 1.00 0.00 H new ATOM 0 HA PHE A 98 3.919 4.646 -5.359 1.00 0.00 H new ATOM 0 HB2 PHE A 98 2.950 1.924 -5.951 1.00 0.00 H new ATOM 0 HB3 PHE A 98 1.926 3.119 -6.722 1.00 0.00 H new ATOM 0 HD1 PHE A 98 3.200 4.982 -8.065 1.00 0.00 H new ATOM 0 HD2 PHE A 98 4.882 1.245 -7.033 1.00 0.00 H new ATOM 0 HE1 PHE A 98 4.872 5.226 -9.909 1.00 0.00 H new ATOM 0 HE2 PHE A 98 6.559 1.491 -8.873 1.00 0.00 H new ATOM 0 HZ PHE A 98 6.532 3.478 -10.289 1.00 0.00 H new ATOM 1589 N TYR A 99 1.929 5.968 -4.912 1.00 0.00 N ATOM 1590 CA TYR A 99 0.767 6.803 -4.653 1.00 0.00 C ATOM 1591 C TYR A 99 0.150 7.303 -5.962 1.00 0.00 C ATOM 1592 O TYR A 99 0.535 8.354 -6.472 1.00 0.00 O ATOM 1593 CB TYR A 99 1.281 8.003 -3.855 1.00 0.00 C ATOM 1594 CG TYR A 99 2.665 7.793 -3.238 1.00 0.00 C ATOM 1595 CD1 TYR A 99 2.794 7.093 -2.055 1.00 0.00 C ATOM 1596 CD2 TYR A 99 3.783 8.305 -3.863 1.00 0.00 C ATOM 1597 CE1 TYR A 99 4.097 6.897 -1.475 1.00 0.00 C ATOM 1598 CE2 TYR A 99 5.087 8.109 -3.282 1.00 0.00 C ATOM 1599 CZ TYR A 99 5.179 7.414 -2.116 1.00 0.00 C ATOM 1600 OH TYR A 99 6.409 7.228 -1.568 1.00 0.00 O ATOM 0 H TYR A 99 2.781 6.481 -5.140 1.00 0.00 H new ATOM 0 HA TYR A 99 0.001 6.242 -4.118 1.00 0.00 H new ATOM 0 HB2 TYR A 99 1.315 8.874 -4.509 1.00 0.00 H new ATOM 0 HB3 TYR A 99 0.570 8.229 -3.060 1.00 0.00 H new ATOM 0 HD1 TYR A 99 1.918 6.693 -1.565 1.00 0.00 H new ATOM 0 HD2 TYR A 99 3.681 8.853 -4.788 1.00 0.00 H new ATOM 0 HE1 TYR A 99 4.213 6.351 -0.550 1.00 0.00 H new ATOM 0 HE2 TYR A 99 5.971 8.505 -3.761 1.00 0.00 H new ATOM 0 HH TYR A 99 7.098 7.431 -2.234 1.00 0.00 H new ATOM 1610 N ASP A 100 -0.798 6.526 -6.466 1.00 0.00 N ATOM 1611 CA ASP A 100 -1.472 6.875 -7.704 1.00 0.00 C ATOM 1612 C ASP A 100 -2.757 7.640 -7.381 1.00 0.00 C ATOM 1613 O ASP A 100 -3.828 7.044 -7.273 1.00 0.00 O ATOM 1614 CB ASP A 100 -1.852 5.623 -8.496 1.00 0.00 C ATOM 1615 CG ASP A 100 -1.973 5.827 -10.008 1.00 0.00 C ATOM 1616 OD1 ASP A 100 -1.351 5.105 -10.801 1.00 0.00 O ATOM 1617 OD2 ASP A 100 -2.755 6.789 -10.368 1.00 0.00 O ATOM 0 H ASP A 100 -1.115 5.656 -6.039 1.00 0.00 H new ATOM 0 HA ASP A 100 -0.792 7.484 -8.299 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -1.106 4.851 -8.307 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -2.803 5.247 -8.118 1.00 0.00 H new ATOM 1623 N ASN A 101 -2.609 8.948 -7.235 1.00 0.00 N ATOM 1624 CA ASN A 101 -3.744 9.800 -6.926 1.00 0.00 C ATOM 1625 C ASN A 101 -4.359 10.316 -8.230 1.00 0.00 C ATOM 1626 O ASN A 101 -3.974 9.884 -9.314 1.00 0.00 O ATOM 1627 CB ASN A 101 -3.315 11.010 -6.096 1.00 0.00 C ATOM 1628 CG ASN A 101 -2.080 11.681 -6.701 1.00 0.00 C ATOM 1629 OD1 ASN A 101 -2.020 11.980 -7.882 1.00 0.00 O ATOM 1630 ND2 ASN A 101 -1.100 11.900 -5.829 1.00 0.00 N ATOM 0 H ASN A 101 -1.719 9.439 -7.325 1.00 0.00 H new ATOM 0 HA ASN A 101 -4.463 9.210 -6.358 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -4.134 11.728 -6.043 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -3.099 10.697 -5.075 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -0.234 12.343 -6.136 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -1.215 11.625 -4.853 1.00 0.00 H new ATOM 1637 N SER A 102 -5.305 11.231 -8.079 1.00 0.00 N ATOM 1638 CA SER A 102 -5.977 11.809 -9.229 1.00 0.00 C ATOM 1639 C SER A 102 -5.214 13.043 -9.717 1.00 0.00 C ATOM 1640 O SER A 102 -5.723 13.812 -10.530 1.00 0.00 O ATOM 1641 CB SER A 102 -7.423 12.178 -8.896 1.00 0.00 C ATOM 1642 OG SER A 102 -7.725 11.964 -7.519 1.00 0.00 O ATOM 0 H SER A 102 -5.622 11.586 -7.177 1.00 0.00 H new ATOM 0 HA SER A 102 -5.995 11.063 -10.023 1.00 0.00 H new ATOM 0 HB2 SER A 102 -7.597 13.224 -9.147 1.00 0.00 H new ATOM 0 HB3 SER A 102 -8.099 11.585 -9.512 1.00 0.00 H new ATOM 0 HG SER A 102 -8.657 12.212 -7.346 1.00 0.00 H new ATOM 1648 N LEU A 103 -4.004 13.194 -9.197 1.00 0.00 N ATOM 1649 CA LEU A 103 -3.165 14.321 -9.568 1.00 0.00 C ATOM 1650 C LEU A 103 -2.234 13.904 -10.709 1.00 0.00 C ATOM 1651 O LEU A 103 -1.383 14.683 -11.136 1.00 0.00 O ATOM 1652 CB LEU A 103 -2.430 14.868 -8.342 1.00 0.00 C ATOM 1653 CG LEU A 103 -1.778 16.241 -8.511 1.00 0.00 C ATOM 1654 CD1 LEU A 103 -2.691 17.350 -7.985 1.00 0.00 C ATOM 1655 CD2 LEU A 103 -0.397 16.277 -7.853 1.00 0.00 C ATOM 0 H LEU A 103 -3.585 12.554 -8.522 1.00 0.00 H new ATOM 0 HA LEU A 103 -3.775 15.145 -9.939 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -3.136 14.922 -7.513 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -1.658 14.153 -8.057 1.00 0.00 H new ATOM 0 HG LEU A 103 -1.633 16.421 -9.576 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -2.203 18.316 -8.117 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -3.631 17.340 -8.537 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -2.890 17.186 -6.926 1.00 0.00 H new ATOM 0 HD21 LEU A 103 0.045 17.264 -7.988 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -0.496 16.066 -6.788 1.00 0.00 H new ATOM 0 HD23 LEU A 103 0.245 15.526 -8.314 1.00 0.00 H new ATOM 1667 N VAL A 104 -2.428 12.678 -11.171 1.00 0.00 N ATOM 1668 CA VAL A 104 -1.617 12.148 -12.254 1.00 0.00 C ATOM 1669 C VAL A 104 -2.523 11.458 -13.274 1.00 0.00 C ATOM 1670 O VAL A 104 -2.041 10.769 -14.172 1.00 0.00 O ATOM 1671 CB VAL A 104 -0.534 11.224 -11.693 1.00 0.00 C ATOM 1672 CG1 VAL A 104 0.125 10.409 -12.808 1.00 0.00 C ATOM 1673 CG2 VAL A 104 0.510 12.017 -10.903 1.00 0.00 C ATOM 0 H VAL A 104 -3.136 12.036 -10.815 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.100 12.955 -12.774 1.00 0.00 H new ATOM 0 HB VAL A 104 -1.014 10.526 -11.007 1.00 0.00 H new ATOM 0 HG11 VAL A 104 0.891 9.761 -12.381 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -0.628 9.800 -13.308 1.00 0.00 H new ATOM 0 HG13 VAL A 104 0.583 11.085 -13.530 1.00 0.00 H new ATOM 0 HG21 VAL A 104 1.268 11.336 -10.516 1.00 0.00 H new ATOM 0 HG22 VAL A 104 0.982 12.750 -11.557 1.00 0.00 H new ATOM 0 HG23 VAL A 104 0.025 12.530 -10.073 1.00 0.00 H new ATOM 1683 N GLU A 105 -3.820 11.665 -13.102 1.00 0.00 N ATOM 1684 CA GLU A 105 -4.798 11.071 -13.997 1.00 0.00 C ATOM 1685 C GLU A 105 -6.129 11.819 -13.899 1.00 0.00 C ATOM 1686 O GLU A 105 -6.802 12.030 -14.906 1.00 0.00 O ATOM 1687 CB GLU A 105 -4.981 9.583 -13.698 1.00 0.00 C ATOM 1688 CG GLU A 105 -4.257 8.721 -14.736 1.00 0.00 C ATOM 1689 CD GLU A 105 -3.877 7.361 -14.150 1.00 0.00 C ATOM 1690 OE1 GLU A 105 -4.368 6.989 -13.074 1.00 0.00 O ATOM 1691 OE2 GLU A 105 -3.039 6.678 -14.855 1.00 0.00 O ATOM 0 H GLU A 105 -4.217 12.236 -12.356 1.00 0.00 H new ATOM 0 HA GLU A 105 -4.429 11.159 -15.019 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -4.597 9.359 -12.703 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -6.043 9.337 -13.693 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -4.897 8.580 -15.607 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -3.360 9.236 -15.080 1.00 0.00 H new ATOM 1699 N GLY A 106 -6.470 12.196 -12.676 1.00 0.00 N ATOM 1700 CA GLY A 106 -7.710 12.915 -12.432 1.00 0.00 C ATOM 1701 C GLY A 106 -8.863 11.945 -12.172 1.00 0.00 C ATOM 1702 O GLY A 106 -9.777 12.252 -11.407 1.00 0.00 O ATOM 0 H GLY A 106 -5.910 12.017 -11.843 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -7.588 13.578 -11.576 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -7.945 13.544 -13.291 1.00 0.00 H new ATOM 1706 N MET A 107 -8.785 10.793 -12.822 1.00 0.00 N ATOM 1707 CA MET A 107 -9.812 9.776 -12.670 1.00 0.00 C ATOM 1708 C MET A 107 -9.673 9.053 -11.329 1.00 0.00 C ATOM 1709 O MET A 107 -10.455 8.156 -11.019 1.00 0.00 O ATOM 1710 CB MET A 107 -9.700 8.763 -13.810 1.00 0.00 C ATOM 1711 CG MET A 107 -9.281 7.389 -13.283 1.00 0.00 C ATOM 1712 SD MET A 107 -8.418 6.483 -14.558 1.00 0.00 S ATOM 1713 CE MET A 107 -6.792 7.200 -14.399 1.00 0.00 C ATOM 0 H MET A 107 -8.026 10.541 -13.455 1.00 0.00 H new ATOM 0 HA MET A 107 -10.787 10.263 -12.700 1.00 0.00 H new ATOM 0 HB2 MET A 107 -10.657 8.682 -14.325 1.00 0.00 H new ATOM 0 HB3 MET A 107 -8.972 9.113 -14.542 1.00 0.00 H new ATOM 0 HG2 MET A 107 -8.639 7.506 -12.410 1.00 0.00 H new ATOM 0 HG3 MET A 107 -10.160 6.831 -12.960 1.00 0.00 H new ATOM 0 HE1 MET A 107 -6.041 6.469 -14.700 1.00 0.00 H new ATOM 0 HE2 MET A 107 -6.718 8.080 -15.038 1.00 0.00 H new ATOM 0 HE3 MET A 107 -6.622 7.489 -13.362 1.00 0.00 H new ATOM 1723 N ARG A 108 -8.670 9.472 -10.567 1.00 0.00 N ATOM 1724 CA ARG A 108 -8.420 8.876 -9.267 1.00 0.00 C ATOM 1725 C ARG A 108 -8.932 9.792 -8.154 1.00 0.00 C ATOM 1726 O ARG A 108 -9.852 10.580 -8.370 1.00 0.00 O ATOM 1727 CB ARG A 108 -6.926 8.618 -9.059 1.00 0.00 C ATOM 1728 CG ARG A 108 -6.651 7.131 -8.834 1.00 0.00 C ATOM 1729 CD ARG A 108 -6.249 6.444 -10.142 1.00 0.00 C ATOM 1730 NE ARG A 108 -5.945 5.018 -9.891 1.00 0.00 N ATOM 1731 CZ ARG A 108 -6.882 4.053 -9.769 1.00 0.00 C ATOM 1732 NH1 ARG A 108 -8.193 4.357 -9.872 1.00 0.00 N ATOM 1733 NH2 ARG A 108 -6.497 2.811 -9.544 1.00 0.00 N ATOM 0 H ARG A 108 -8.023 10.216 -10.827 1.00 0.00 H new ATOM 0 HA ARG A 108 -8.951 7.925 -9.231 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -6.369 8.967 -9.929 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -6.571 9.191 -8.202 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -5.857 7.012 -8.097 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -7.540 6.651 -8.425 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -7.055 6.530 -10.870 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -5.378 6.940 -10.570 1.00 0.00 H new ATOM 0 HE ARG A 108 -4.966 4.746 -9.805 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -8.481 5.320 -10.043 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -8.895 3.623 -9.779 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -5.504 2.591 -9.465 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -7.192 2.071 -9.449 1.00 0.00 H new