USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 760 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 91 HIS : no HD1:sc= -0.105 K(o=-0.34,f=-1.4) USER MOD Set 1.2: A 94 LYS NZ :NH3+ 138:sc= -0.24 (180deg=-3.29!) USER MOD Set 2.1: A 46 SER OG : rot 74:sc= 0.441 USER MOD Set 2.2: A 64 HIS : no HD1:sc= -0.0841 K(o=0.36,f=-1.3) USER MOD Set 3.1: A 10 HIS : no HE2:sc= -7.4! C(o=-13!,f=-16!) USER MOD Set 3.2: A 13 MET CE :methyl -150:sc= -5.85! (180deg=-2.47!) USER MOD Single : A 9 TYR OH : rot 180:sc= -0.166 USER MOD Single : A 12 HIS : no HD1:sc= -0.0311 X(o=-0.031,f=-0.00085) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.749 K(o=-0.75,f=-5.3!) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -1.58! C(o=-1.6!,f=-2!) USER MOD Single : A 25 LYS NZ :NH3+ -152:sc= 0.241 (180deg=0.0414) USER MOD Single : A 30 THR OG1 : rot 78:sc= -0.155 USER MOD Single : A 36 SER OG : rot -150:sc= -1.19 USER MOD Single : A 49 SER OG : rot -73:sc= 1.24 USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-2.2) USER MOD Single : A 53 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0211) USER MOD Single : A 58 SER OG : rot -31:sc= -0.611 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl -165:sc= -1.29 (180deg=-1.39) USER MOD Single : A 69 CYS SG : rot 105:sc= 0.0986 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -133:sc= 1.19 USER MOD Single : A 81 THR OG1 : rot 43:sc= 0.447 USER MOD Single : A 84 SER OG : rot 12:sc= 0.756 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -106:sc= 0.291 (180deg=-0.711) USER MOD Single : A 95 THR OG1 : rot -101:sc= 1.04 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= -4.96! C(o=-5!,f=-6.4!) USER MOD Single : A 111 TYR OH : rot 180:sc= -0.197 USER MOD Single : A 112 TYR OH : rot 180:sc= -0.723 USER MOD Single : B 12 ASN : amide:sc= 0 X(o=0,f=-0.0029) USER MOD ----------------------------------------------------------------- ATOM 66 N TRP A 8 3.444 -5.876 -9.909 1.00 0.00 N ATOM 67 CA TRP A 8 3.632 -4.982 -8.772 1.00 0.00 C ATOM 68 C TRP A 8 4.274 -5.719 -7.602 1.00 0.00 C ATOM 69 O TRP A 8 5.194 -5.207 -6.962 1.00 0.00 O ATOM 70 CB TRP A 8 2.294 -4.381 -8.341 1.00 0.00 C ATOM 71 CG TRP A 8 1.127 -5.287 -8.596 1.00 0.00 C ATOM 72 CD1 TRP A 8 0.303 -5.275 -9.686 1.00 0.00 C ATOM 73 CD2 TRP A 8 0.654 -6.335 -7.744 1.00 0.00 C ATOM 74 NE1 TRP A 8 -0.654 -6.253 -9.562 1.00 0.00 N ATOM 75 CE2 TRP A 8 -0.460 -6.917 -8.380 1.00 0.00 C ATOM 76 CE3 TRP A 8 1.063 -6.839 -6.507 1.00 0.00 C ATOM 77 CZ2 TRP A 8 -1.168 -7.977 -7.817 1.00 0.00 C ATOM 78 CZ3 TRP A 8 0.360 -7.890 -5.950 1.00 0.00 C ATOM 79 CH2 TRP A 8 -0.744 -8.451 -6.605 1.00 0.00 C ATOM 0 HA TRP A 8 4.299 -4.177 -9.081 1.00 0.00 H new ATOM 0 HB2 TRP A 8 2.336 -4.144 -7.278 1.00 0.00 H new ATOM 0 HB3 TRP A 8 2.138 -3.441 -8.871 1.00 0.00 H new ATOM 0 HD1 TRP A 8 0.391 -4.597 -10.522 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -1.389 -6.452 -10.240 1.00 0.00 H new ATOM 0 HE3 TRP A 8 1.914 -6.415 -5.995 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -2.021 -8.409 -8.319 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 0.667 -8.286 -4.993 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -1.271 -9.274 -6.145 1.00 0.00 H new ATOM 90 N TYR A 9 3.783 -6.922 -7.325 1.00 0.00 N ATOM 91 CA TYR A 9 4.307 -7.727 -6.229 1.00 0.00 C ATOM 92 C TYR A 9 5.824 -7.595 -6.132 1.00 0.00 C ATOM 93 O TYR A 9 6.549 -7.918 -7.073 1.00 0.00 O ATOM 94 CB TYR A 9 3.924 -9.196 -6.418 1.00 0.00 C ATOM 95 CG TYR A 9 4.045 -10.022 -5.158 1.00 0.00 C ATOM 96 CD1 TYR A 9 3.336 -9.684 -4.012 1.00 0.00 C ATOM 97 CD2 TYR A 9 4.870 -11.139 -5.112 1.00 0.00 C ATOM 98 CE1 TYR A 9 3.444 -10.435 -2.858 1.00 0.00 C ATOM 99 CE2 TYR A 9 4.984 -11.897 -3.963 1.00 0.00 C ATOM 100 CZ TYR A 9 4.269 -11.541 -2.838 1.00 0.00 C ATOM 101 OH TYR A 9 4.381 -12.292 -1.690 1.00 0.00 O ATOM 0 H TYR A 9 3.023 -7.361 -7.845 1.00 0.00 H new ATOM 0 HA TYR A 9 3.868 -7.360 -5.301 1.00 0.00 H new ATOM 0 HB2 TYR A 9 2.898 -9.251 -6.781 1.00 0.00 H new ATOM 0 HB3 TYR A 9 4.559 -9.631 -7.190 1.00 0.00 H new ATOM 0 HD1 TYR A 9 2.689 -8.819 -4.024 1.00 0.00 H new ATOM 0 HD2 TYR A 9 5.432 -11.420 -5.990 1.00 0.00 H new ATOM 0 HE1 TYR A 9 2.886 -10.158 -1.976 1.00 0.00 H new ATOM 0 HE2 TYR A 9 5.629 -12.763 -3.945 1.00 0.00 H new ATOM 0 HH TYR A 9 5.001 -13.035 -1.845 1.00 0.00 H new ATOM 111 N HIS A 10 6.298 -7.117 -4.985 1.00 0.00 N ATOM 112 CA HIS A 10 7.728 -6.942 -4.762 1.00 0.00 C ATOM 113 C HIS A 10 8.368 -8.245 -4.294 1.00 0.00 C ATOM 114 O HIS A 10 9.168 -8.847 -5.009 1.00 0.00 O ATOM 115 CB HIS A 10 7.974 -5.839 -3.731 1.00 0.00 C ATOM 116 CG HIS A 10 7.827 -4.457 -4.287 1.00 0.00 C ATOM 117 ND1 HIS A 10 8.888 -3.585 -4.426 1.00 0.00 N ATOM 118 CD2 HIS A 10 6.737 -3.795 -4.740 1.00 0.00 C ATOM 119 CE1 HIS A 10 8.454 -2.447 -4.940 1.00 0.00 C ATOM 120 NE2 HIS A 10 7.153 -2.549 -5.141 1.00 0.00 N ATOM 0 H HIS A 10 5.712 -6.844 -4.196 1.00 0.00 H new ATOM 0 HA HIS A 10 8.186 -6.653 -5.708 1.00 0.00 H new ATOM 0 HB2 HIS A 10 7.276 -5.965 -2.903 1.00 0.00 H new ATOM 0 HB3 HIS A 10 8.978 -5.952 -3.322 1.00 0.00 H new ATOM 0 HD1 HIS A 10 9.855 -3.787 -4.172 1.00 0.00 H new ATOM 0 HD2 HIS A 10 5.727 -4.176 -4.779 1.00 0.00 H new ATOM 0 HE1 HIS A 10 9.061 -1.581 -5.158 1.00 0.00 H new ATOM 129 N GLY A 11 8.012 -8.673 -3.087 1.00 0.00 N ATOM 130 CA GLY A 11 8.562 -9.901 -2.544 1.00 0.00 C ATOM 131 C GLY A 11 9.129 -9.716 -1.150 1.00 0.00 C ATOM 132 O GLY A 11 8.937 -10.563 -0.277 1.00 0.00 O ATOM 0 H GLY A 11 7.353 -8.191 -2.476 1.00 0.00 H new ATOM 0 HA2 GLY A 11 7.784 -10.664 -2.518 1.00 0.00 H new ATOM 0 HA3 GLY A 11 9.346 -10.268 -3.206 1.00 0.00 H new ATOM 136 N HIS A 12 9.829 -8.607 -0.941 1.00 0.00 N ATOM 137 CA HIS A 12 10.427 -8.314 0.357 1.00 0.00 C ATOM 138 C HIS A 12 10.679 -6.817 0.514 1.00 0.00 C ATOM 139 O HIS A 12 11.532 -6.247 -0.165 1.00 0.00 O ATOM 140 CB HIS A 12 11.737 -9.083 0.525 1.00 0.00 C ATOM 141 CG HIS A 12 12.221 -9.142 1.941 1.00 0.00 C ATOM 142 ND1 HIS A 12 12.183 -10.290 2.703 1.00 0.00 N ATOM 143 CD2 HIS A 12 12.758 -8.185 2.733 1.00 0.00 C ATOM 144 CE1 HIS A 12 12.674 -10.037 3.903 1.00 0.00 C ATOM 145 NE2 HIS A 12 13.031 -8.766 3.948 1.00 0.00 N ATOM 0 H HIS A 12 9.997 -7.896 -1.653 1.00 0.00 H new ATOM 0 HA HIS A 12 9.727 -8.630 1.131 1.00 0.00 H new ATOM 0 HB2 HIS A 12 11.602 -10.099 0.153 1.00 0.00 H new ATOM 0 HB3 HIS A 12 12.504 -8.617 -0.093 1.00 0.00 H new ATOM 0 HD2 HIS A 12 12.939 -7.156 2.461 1.00 0.00 H new ATOM 0 HE1 HIS A 12 12.768 -10.748 4.710 1.00 0.00 H new ATOM 0 HE2 HIS A 12 13.442 -8.293 4.753 1.00 0.00 H new ATOM 154 N MET A 13 9.930 -6.187 1.414 1.00 0.00 N ATOM 155 CA MET A 13 10.073 -4.757 1.659 1.00 0.00 C ATOM 156 C MET A 13 9.380 -4.356 2.958 1.00 0.00 C ATOM 157 O MET A 13 8.311 -4.872 3.287 1.00 0.00 O ATOM 158 CB MET A 13 9.495 -3.956 0.490 1.00 0.00 C ATOM 159 CG MET A 13 9.573 -2.451 0.687 1.00 0.00 C ATOM 160 SD MET A 13 8.394 -1.554 -0.342 1.00 0.00 S ATOM 161 CE MET A 13 8.817 -2.181 -1.966 1.00 0.00 C ATOM 0 H MET A 13 9.219 -6.644 1.985 1.00 0.00 H new ATOM 0 HA MET A 13 11.136 -4.534 1.751 1.00 0.00 H new ATOM 0 HB2 MET A 13 10.029 -4.223 -0.422 1.00 0.00 H new ATOM 0 HB3 MET A 13 8.453 -4.242 0.344 1.00 0.00 H new ATOM 0 HG2 MET A 13 9.388 -2.216 1.735 1.00 0.00 H new ATOM 0 HG3 MET A 13 10.583 -2.110 0.458 1.00 0.00 H new ATOM 0 HE1 MET A 13 8.611 -1.417 -2.716 1.00 0.00 H new ATOM 0 HE2 MET A 13 9.876 -2.439 -1.992 1.00 0.00 H new ATOM 0 HE3 MET A 13 8.222 -3.069 -2.179 1.00 0.00 H new ATOM 171 N SER A 14 9.994 -3.433 3.691 1.00 0.00 N ATOM 172 CA SER A 14 9.437 -2.967 4.956 1.00 0.00 C ATOM 173 C SER A 14 8.857 -1.563 4.808 1.00 0.00 C ATOM 174 O SER A 14 9.205 -0.829 3.886 1.00 0.00 O ATOM 175 CB SER A 14 10.513 -2.974 6.044 1.00 0.00 C ATOM 176 OG SER A 14 9.942 -3.193 7.322 1.00 0.00 O ATOM 0 H SER A 14 10.877 -2.993 3.431 1.00 0.00 H new ATOM 0 HA SER A 14 8.634 -3.646 5.244 1.00 0.00 H new ATOM 0 HB2 SER A 14 11.246 -3.753 5.831 1.00 0.00 H new ATOM 0 HB3 SER A 14 11.047 -2.024 6.038 1.00 0.00 H new ATOM 0 HG SER A 14 10.649 -3.195 8.000 1.00 0.00 H new ATOM 182 N GLY A 15 7.966 -1.200 5.727 1.00 0.00 N ATOM 183 CA GLY A 15 7.350 0.114 5.682 1.00 0.00 C ATOM 184 C GLY A 15 8.369 1.234 5.735 1.00 0.00 C ATOM 185 O GLY A 15 8.032 2.399 5.529 1.00 0.00 O ATOM 0 H GLY A 15 7.661 -1.791 6.500 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.762 0.205 4.769 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.658 0.216 6.518 1.00 0.00 H new ATOM 189 N GLY A 16 9.620 0.882 6.014 1.00 0.00 N ATOM 190 CA GLY A 16 10.673 1.879 6.090 1.00 0.00 C ATOM 191 C GLY A 16 11.274 2.192 4.734 1.00 0.00 C ATOM 192 O GLY A 16 11.821 3.274 4.526 1.00 0.00 O ATOM 0 H GLY A 16 9.924 -0.076 6.189 1.00 0.00 H new ATOM 0 HA2 GLY A 16 10.272 2.794 6.526 1.00 0.00 H new ATOM 0 HA3 GLY A 16 11.457 1.524 6.759 1.00 0.00 H new ATOM 196 N GLN A 17 11.174 1.241 3.811 1.00 0.00 N ATOM 197 CA GLN A 17 11.714 1.421 2.468 1.00 0.00 C ATOM 198 C GLN A 17 10.647 1.951 1.517 1.00 0.00 C ATOM 199 O GLN A 17 10.911 2.833 0.701 1.00 0.00 O ATOM 200 CB GLN A 17 12.275 0.099 1.941 1.00 0.00 C ATOM 201 CG GLN A 17 12.842 0.198 0.534 1.00 0.00 C ATOM 202 CD GLN A 17 13.473 -1.099 0.066 1.00 0.00 C ATOM 203 OE1 GLN A 17 12.784 -2.100 -0.139 1.00 0.00 O ATOM 204 NE2 GLN A 17 14.790 -1.090 -0.105 1.00 0.00 N ATOM 0 H GLN A 17 10.725 0.339 3.968 1.00 0.00 H new ATOM 0 HA GLN A 17 12.519 2.154 2.523 1.00 0.00 H new ATOM 0 HB2 GLN A 17 13.057 -0.249 2.616 1.00 0.00 H new ATOM 0 HB3 GLN A 17 11.485 -0.652 1.954 1.00 0.00 H new ATOM 0 HG2 GLN A 17 12.046 0.480 -0.155 1.00 0.00 H new ATOM 0 HG3 GLN A 17 13.588 0.993 0.502 1.00 0.00 H new ATOM 0 HE21 GLN A 17 15.322 -0.239 0.076 1.00 0.00 H new ATOM 0 HE22 GLN A 17 15.269 -1.934 -0.418 1.00 0.00 H new ATOM 213 N ALA A 18 9.440 1.406 1.628 1.00 0.00 N ATOM 214 CA ALA A 18 8.332 1.826 0.780 1.00 0.00 C ATOM 215 C ALA A 18 8.239 3.346 0.709 1.00 0.00 C ATOM 216 O ALA A 18 8.444 3.940 -0.347 1.00 0.00 O ATOM 217 CB ALA A 18 7.024 1.238 1.290 1.00 0.00 C ATOM 0 H ALA A 18 9.205 0.673 2.297 1.00 0.00 H new ATOM 0 HA ALA A 18 8.517 1.453 -0.227 1.00 0.00 H new ATOM 0 HB1 ALA A 18 6.205 1.560 0.647 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.086 0.150 1.281 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.843 1.582 2.308 1.00 0.00 H new ATOM 223 N GLU A 19 7.927 3.967 1.842 1.00 0.00 N ATOM 224 CA GLU A 19 7.805 5.420 1.907 1.00 0.00 C ATOM 225 C GLU A 19 8.884 6.094 1.065 1.00 0.00 C ATOM 226 O GLU A 19 8.629 7.095 0.393 1.00 0.00 O ATOM 227 CB GLU A 19 7.901 5.897 3.357 1.00 0.00 C ATOM 228 CG GLU A 19 6.565 5.920 4.081 1.00 0.00 C ATOM 229 CD GLU A 19 6.585 6.801 5.315 1.00 0.00 C ATOM 230 OE1 GLU A 19 7.581 6.746 6.067 1.00 0.00 O ATOM 231 OE2 GLU A 19 5.604 7.545 5.529 1.00 0.00 O ATOM 0 H GLU A 19 7.754 3.489 2.726 1.00 0.00 H new ATOM 0 HA GLU A 19 6.830 5.696 1.505 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.587 5.247 3.900 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.331 6.899 3.373 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.792 6.274 3.399 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.294 4.904 4.369 1.00 0.00 H new ATOM 238 N THR A 20 10.092 5.540 1.106 1.00 0.00 N ATOM 239 CA THR A 20 11.211 6.087 0.350 1.00 0.00 C ATOM 240 C THR A 20 11.021 5.872 -1.147 1.00 0.00 C ATOM 241 O THR A 20 11.076 6.818 -1.933 1.00 0.00 O ATOM 242 CB THR A 20 12.546 5.453 0.784 1.00 0.00 C ATOM 243 OG1 THR A 20 12.712 5.580 2.200 1.00 0.00 O ATOM 244 CG2 THR A 20 13.715 6.113 0.069 1.00 0.00 C ATOM 0 H THR A 20 10.320 4.712 1.656 1.00 0.00 H new ATOM 0 HA THR A 20 11.241 7.156 0.559 1.00 0.00 H new ATOM 0 HB THR A 20 12.526 4.397 0.516 1.00 0.00 H new ATOM 0 HG1 THR A 20 13.562 5.173 2.468 1.00 0.00 H new ATOM 0 HG21 THR A 20 14.647 5.649 0.391 1.00 0.00 H new ATOM 0 HG22 THR A 20 13.600 5.988 -1.008 1.00 0.00 H new ATOM 0 HG23 THR A 20 13.736 7.176 0.310 1.00 0.00 H new ATOM 252 N LEU A 21 10.795 4.622 -1.535 1.00 0.00 N ATOM 253 CA LEU A 21 10.595 4.281 -2.940 1.00 0.00 C ATOM 254 C LEU A 21 9.465 5.106 -3.545 1.00 0.00 C ATOM 255 O LEU A 21 9.679 5.890 -4.470 1.00 0.00 O ATOM 256 CB LEU A 21 10.288 2.789 -3.084 1.00 0.00 C ATOM 257 CG LEU A 21 11.408 1.831 -2.680 1.00 0.00 C ATOM 258 CD1 LEU A 21 10.936 0.389 -2.773 1.00 0.00 C ATOM 259 CD2 LEU A 21 12.637 2.048 -3.552 1.00 0.00 C ATOM 0 H LEU A 21 10.746 3.828 -0.897 1.00 0.00 H new ATOM 0 HA LEU A 21 11.515 4.510 -3.479 1.00 0.00 H new ATOM 0 HB2 LEU A 21 9.407 2.560 -2.484 1.00 0.00 H new ATOM 0 HB3 LEU A 21 10.025 2.591 -4.123 1.00 0.00 H new ATOM 0 HG LEU A 21 11.680 2.037 -1.645 1.00 0.00 H new ATOM 0 HD11 LEU A 21 11.747 -0.279 -2.482 1.00 0.00 H new ATOM 0 HD12 LEU A 21 10.086 0.241 -2.107 1.00 0.00 H new ATOM 0 HD13 LEU A 21 10.636 0.170 -3.798 1.00 0.00 H new ATOM 0 HD21 LEU A 21 13.424 1.357 -3.250 1.00 0.00 H new ATOM 0 HD22 LEU A 21 12.379 1.870 -4.596 1.00 0.00 H new ATOM 0 HD23 LEU A 21 12.989 3.073 -3.436 1.00 0.00 H new ATOM 271 N LEU A 22 8.260 4.927 -3.015 1.00 0.00 N ATOM 272 CA LEU A 22 7.094 5.657 -3.501 1.00 0.00 C ATOM 273 C LEU A 22 7.410 7.140 -3.668 1.00 0.00 C ATOM 274 O LEU A 22 7.429 7.657 -4.785 1.00 0.00 O ATOM 275 CB LEU A 22 5.919 5.480 -2.537 1.00 0.00 C ATOM 276 CG LEU A 22 5.348 4.065 -2.428 1.00 0.00 C ATOM 277 CD1 LEU A 22 4.727 3.845 -1.057 1.00 0.00 C ATOM 278 CD2 LEU A 22 4.324 3.816 -3.525 1.00 0.00 C ATOM 0 H LEU A 22 8.065 4.283 -2.249 1.00 0.00 H new ATOM 0 HA LEU A 22 6.822 5.251 -4.475 1.00 0.00 H new ATOM 0 HB2 LEU A 22 6.238 5.799 -1.545 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.117 6.151 -2.846 1.00 0.00 H new ATOM 0 HG LEU A 22 6.165 3.354 -2.554 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.326 2.833 -0.997 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.487 3.980 -0.287 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.922 4.564 -0.902 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.929 2.804 -3.431 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.509 4.534 -3.432 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.799 3.931 -4.499 1.00 0.00 H new ATOM 290 N GLN A 23 7.660 7.815 -2.551 1.00 0.00 N ATOM 291 CA GLN A 23 7.977 9.239 -2.574 1.00 0.00 C ATOM 292 C GLN A 23 9.123 9.525 -3.540 1.00 0.00 C ATOM 293 O GLN A 23 9.129 10.546 -4.225 1.00 0.00 O ATOM 294 CB GLN A 23 8.343 9.724 -1.171 1.00 0.00 C ATOM 295 CG GLN A 23 7.206 9.604 -0.170 1.00 0.00 C ATOM 296 CD GLN A 23 7.619 10.006 1.232 1.00 0.00 C ATOM 297 OE1 GLN A 23 8.719 9.687 1.684 1.00 0.00 O ATOM 298 NE2 GLN A 23 6.736 10.710 1.931 1.00 0.00 N ATOM 0 H GLN A 23 7.649 7.400 -1.619 1.00 0.00 H new ATOM 0 HA GLN A 23 7.094 9.778 -2.917 1.00 0.00 H new ATOM 0 HB2 GLN A 23 9.197 9.151 -0.809 1.00 0.00 H new ATOM 0 HB3 GLN A 23 8.659 10.766 -1.227 1.00 0.00 H new ATOM 0 HG2 GLN A 23 6.374 10.230 -0.493 1.00 0.00 H new ATOM 0 HG3 GLN A 23 6.845 8.576 -0.158 1.00 0.00 H new ATOM 0 HE21 GLN A 23 5.836 10.953 1.518 1.00 0.00 H new ATOM 0 HE22 GLN A 23 6.958 11.008 2.881 1.00 0.00 H new ATOM 307 N ALA A 24 10.091 8.615 -3.587 1.00 0.00 N ATOM 308 CA ALA A 24 11.241 8.770 -4.469 1.00 0.00 C ATOM 309 C ALA A 24 10.809 8.821 -5.931 1.00 0.00 C ATOM 310 O ALA A 24 11.290 9.650 -6.703 1.00 0.00 O ATOM 311 CB ALA A 24 12.232 7.636 -4.248 1.00 0.00 C ATOM 0 H ALA A 24 10.101 7.764 -3.025 1.00 0.00 H new ATOM 0 HA ALA A 24 11.728 9.715 -4.228 1.00 0.00 H new ATOM 0 HB1 ALA A 24 13.086 7.764 -4.913 1.00 0.00 H new ATOM 0 HB2 ALA A 24 12.573 7.648 -3.213 1.00 0.00 H new ATOM 0 HB3 ALA A 24 11.747 6.683 -4.459 1.00 0.00 H new ATOM 317 N LYS A 25 9.899 7.928 -6.305 1.00 0.00 N ATOM 318 CA LYS A 25 9.401 7.870 -7.674 1.00 0.00 C ATOM 319 C LYS A 25 8.681 9.162 -8.046 1.00 0.00 C ATOM 320 O LYS A 25 8.908 9.724 -9.116 1.00 0.00 O ATOM 321 CB LYS A 25 8.454 6.679 -7.844 1.00 0.00 C ATOM 322 CG LYS A 25 8.330 6.202 -9.281 1.00 0.00 C ATOM 323 CD LYS A 25 7.997 4.721 -9.349 1.00 0.00 C ATOM 324 CE LYS A 25 6.495 4.484 -9.279 1.00 0.00 C ATOM 325 NZ LYS A 25 6.110 3.184 -9.895 1.00 0.00 N ATOM 0 H LYS A 25 9.491 7.234 -5.679 1.00 0.00 H new ATOM 0 HA LYS A 25 10.255 7.746 -8.340 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.806 5.854 -7.225 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.466 6.955 -7.475 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.554 6.774 -9.790 1.00 0.00 H new ATOM 0 HG3 LYS A 25 9.264 6.391 -9.810 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.390 4.301 -10.275 1.00 0.00 H new ATOM 0 HD3 LYS A 25 8.488 4.198 -8.528 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.172 4.502 -8.238 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.975 5.295 -9.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.138 3.247 -10.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.759 2.965 -10.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.163 2.431 -9.179 1.00 0.00 H new ATOM 339 N GLY A 26 7.814 9.630 -7.153 1.00 0.00 N ATOM 340 CA GLY A 26 7.076 10.853 -7.406 1.00 0.00 C ATOM 341 C GLY A 26 5.852 10.624 -8.272 1.00 0.00 C ATOM 342 O GLY A 26 5.556 11.421 -9.161 1.00 0.00 O ATOM 0 H GLY A 26 7.610 9.184 -6.259 1.00 0.00 H new ATOM 0 HA2 GLY A 26 6.768 11.291 -6.456 1.00 0.00 H new ATOM 0 HA3 GLY A 26 7.732 11.575 -7.893 1.00 0.00 H new ATOM 346 N GLU A 27 5.142 9.531 -8.012 1.00 0.00 N ATOM 347 CA GLU A 27 3.945 9.198 -8.776 1.00 0.00 C ATOM 348 C GLU A 27 2.727 9.094 -7.862 1.00 0.00 C ATOM 349 O GLU A 27 2.666 8.255 -6.963 1.00 0.00 O ATOM 350 CB GLU A 27 4.144 7.883 -9.531 1.00 0.00 C ATOM 351 CG GLU A 27 4.963 8.029 -10.803 1.00 0.00 C ATOM 352 CD GLU A 27 4.721 6.899 -11.786 1.00 0.00 C ATOM 353 OE1 GLU A 27 4.346 5.796 -11.338 1.00 0.00 O ATOM 354 OE2 GLU A 27 4.909 7.119 -13.001 1.00 0.00 O ATOM 0 H GLU A 27 5.374 8.861 -7.279 1.00 0.00 H new ATOM 0 HA GLU A 27 3.770 9.998 -9.495 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.636 7.167 -8.873 1.00 0.00 H new ATOM 0 HB3 GLU A 27 3.168 7.467 -9.783 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.720 8.979 -11.280 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.022 8.062 -10.547 1.00 0.00 H new ATOM 361 N PRO A 28 1.736 9.966 -8.097 1.00 0.00 N ATOM 362 CA PRO A 28 0.502 9.992 -7.306 1.00 0.00 C ATOM 363 C PRO A 28 -0.377 8.773 -7.562 1.00 0.00 C ATOM 364 O PRO A 28 -0.476 8.294 -8.692 1.00 0.00 O ATOM 365 CB PRO A 28 -0.199 11.266 -7.783 1.00 0.00 C ATOM 366 CG PRO A 28 0.324 11.493 -9.160 1.00 0.00 C ATOM 367 CD PRO A 28 1.743 10.993 -9.152 1.00 0.00 C ATOM 0 HA PRO A 28 0.705 9.976 -6.235 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -1.282 11.144 -7.786 1.00 0.00 H new ATOM 0 HB3 PRO A 28 0.025 12.110 -7.130 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -0.274 10.958 -9.898 1.00 0.00 H new ATOM 0 HG3 PRO A 28 0.284 12.550 -9.423 1.00 0.00 H new ATOM 0 HD2 PRO A 28 2.027 10.575 -10.118 1.00 0.00 H new ATOM 0 HD3 PRO A 28 2.450 11.793 -8.930 1.00 0.00 H new ATOM 375 N TRP A 29 -1.015 8.277 -6.508 1.00 0.00 N ATOM 376 CA TRP A 29 -1.887 7.113 -6.621 1.00 0.00 C ATOM 377 C TRP A 29 -1.086 5.865 -6.975 1.00 0.00 C ATOM 378 O TRP A 29 -1.560 4.997 -7.708 1.00 0.00 O ATOM 379 CB TRP A 29 -2.965 7.358 -7.678 1.00 0.00 C ATOM 380 CG TRP A 29 -3.742 8.621 -7.452 1.00 0.00 C ATOM 381 CD1 TRP A 29 -3.978 9.611 -8.362 1.00 0.00 C ATOM 382 CD2 TRP A 29 -4.382 9.027 -6.237 1.00 0.00 C ATOM 383 NE1 TRP A 29 -4.726 10.610 -7.786 1.00 0.00 N ATOM 384 CE2 TRP A 29 -4.988 10.274 -6.483 1.00 0.00 C ATOM 385 CE3 TRP A 29 -4.504 8.458 -4.967 1.00 0.00 C ATOM 386 CZ2 TRP A 29 -5.702 10.960 -5.505 1.00 0.00 C ATOM 387 CZ3 TRP A 29 -5.213 9.140 -3.996 1.00 0.00 C ATOM 388 CH2 TRP A 29 -5.806 10.381 -4.270 1.00 0.00 C ATOM 0 H TRP A 29 -0.945 8.662 -5.566 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.365 6.954 -5.654 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -2.497 7.399 -8.662 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -3.653 6.513 -7.687 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -3.628 9.609 -9.384 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -5.036 11.463 -8.252 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -4.052 7.502 -4.748 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -6.158 11.916 -5.714 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -5.312 8.710 -3.010 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -6.355 10.889 -3.491 1.00 0.00 H new ATOM 399 N THR A 30 0.132 5.779 -6.448 1.00 0.00 N ATOM 400 CA THR A 30 0.999 4.638 -6.711 1.00 0.00 C ATOM 401 C THR A 30 0.946 3.634 -5.564 1.00 0.00 C ATOM 402 O THR A 30 1.349 3.936 -4.442 1.00 0.00 O ATOM 403 CB THR A 30 2.460 5.079 -6.924 1.00 0.00 C ATOM 404 OG1 THR A 30 2.546 5.962 -8.048 1.00 0.00 O ATOM 405 CG2 THR A 30 3.362 3.874 -7.150 1.00 0.00 C ATOM 0 H THR A 30 0.540 6.486 -5.837 1.00 0.00 H new ATOM 0 HA THR A 30 0.634 4.166 -7.623 1.00 0.00 H new ATOM 0 HB THR A 30 2.794 5.600 -6.026 1.00 0.00 H new ATOM 0 HG1 THR A 30 2.233 6.854 -7.788 1.00 0.00 H new ATOM 0 HG21 THR A 30 4.388 4.210 -7.298 1.00 0.00 H new ATOM 0 HG22 THR A 30 3.317 3.218 -6.281 1.00 0.00 H new ATOM 0 HG23 THR A 30 3.028 3.330 -8.033 1.00 0.00 H new ATOM 413 N PHE A 31 0.447 2.438 -5.856 1.00 0.00 N ATOM 414 CA PHE A 31 0.341 1.387 -4.849 1.00 0.00 C ATOM 415 C PHE A 31 1.384 0.300 -5.086 1.00 0.00 C ATOM 416 O PHE A 31 1.770 0.029 -6.225 1.00 0.00 O ATOM 417 CB PHE A 31 -1.062 0.777 -4.864 1.00 0.00 C ATOM 418 CG PHE A 31 -1.245 -0.277 -5.920 1.00 0.00 C ATOM 419 CD1 PHE A 31 -1.364 0.075 -7.255 1.00 0.00 C ATOM 420 CD2 PHE A 31 -1.301 -1.618 -5.576 1.00 0.00 C ATOM 421 CE1 PHE A 31 -1.533 -0.892 -8.227 1.00 0.00 C ATOM 422 CE2 PHE A 31 -1.470 -2.588 -6.545 1.00 0.00 C ATOM 423 CZ PHE A 31 -1.587 -2.225 -7.872 1.00 0.00 C ATOM 0 H PHE A 31 0.110 2.172 -6.781 1.00 0.00 H new ATOM 0 HA PHE A 31 0.524 1.834 -3.872 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.271 0.342 -3.887 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -1.793 1.570 -5.022 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.324 1.116 -7.539 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.212 -1.908 -4.540 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.623 -0.605 -9.264 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -1.511 -3.630 -6.265 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.720 -2.982 -8.631 1.00 0.00 H new ATOM 433 N LEU A 32 1.838 -0.322 -4.003 1.00 0.00 N ATOM 434 CA LEU A 32 2.838 -1.381 -4.092 1.00 0.00 C ATOM 435 C LEU A 32 2.622 -2.426 -3.001 1.00 0.00 C ATOM 436 O LEU A 32 2.475 -2.089 -1.826 1.00 0.00 O ATOM 437 CB LEU A 32 4.245 -0.792 -3.979 1.00 0.00 C ATOM 438 CG LEU A 32 4.819 -0.692 -2.566 1.00 0.00 C ATOM 439 CD1 LEU A 32 5.505 -1.992 -2.174 1.00 0.00 C ATOM 440 CD2 LEU A 32 5.790 0.476 -2.466 1.00 0.00 C ATOM 0 H LEU A 32 1.530 -0.112 -3.054 1.00 0.00 H new ATOM 0 HA LEU A 32 2.732 -1.867 -5.062 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.921 -1.399 -4.582 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.236 0.206 -4.417 1.00 0.00 H new ATOM 0 HG LEU A 32 3.996 -0.516 -1.873 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.907 -1.901 -1.165 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.783 -2.808 -2.205 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.317 -2.199 -2.871 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.189 0.532 -1.453 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.609 0.330 -3.171 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.269 1.404 -2.702 1.00 0.00 H new ATOM 452 N VAL A 33 2.607 -3.694 -3.398 1.00 0.00 N ATOM 453 CA VAL A 33 2.414 -4.789 -2.453 1.00 0.00 C ATOM 454 C VAL A 33 3.750 -5.343 -1.973 1.00 0.00 C ATOM 455 O VAL A 33 4.663 -5.566 -2.769 1.00 0.00 O ATOM 456 CB VAL A 33 1.592 -5.931 -3.079 1.00 0.00 C ATOM 457 CG1 VAL A 33 1.416 -7.069 -2.085 1.00 0.00 C ATOM 458 CG2 VAL A 33 0.242 -5.415 -3.556 1.00 0.00 C ATOM 0 H VAL A 33 2.726 -3.989 -4.367 1.00 0.00 H new ATOM 0 HA VAL A 33 1.867 -4.381 -1.603 1.00 0.00 H new ATOM 0 HB VAL A 33 2.135 -6.316 -3.943 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.833 -7.867 -2.545 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.394 -7.454 -1.796 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.895 -6.702 -1.201 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.326 -6.235 -3.996 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.310 -5.004 -2.711 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.394 -4.637 -4.304 1.00 0.00 H new ATOM 468 N ARG A 34 3.859 -5.563 -0.668 1.00 0.00 N ATOM 469 CA ARG A 34 5.084 -6.091 -0.080 1.00 0.00 C ATOM 470 C ARG A 34 4.769 -7.056 1.060 1.00 0.00 C ATOM 471 O ARG A 34 3.657 -7.067 1.585 1.00 0.00 O ATOM 472 CB ARG A 34 5.962 -4.948 0.432 1.00 0.00 C ATOM 473 CG ARG A 34 5.299 -4.106 1.509 1.00 0.00 C ATOM 474 CD ARG A 34 6.236 -3.024 2.025 1.00 0.00 C ATOM 475 NE ARG A 34 5.923 -2.640 3.399 1.00 0.00 N ATOM 476 CZ ARG A 34 4.995 -1.746 3.719 1.00 0.00 C ATOM 477 NH1 ARG A 34 4.291 -1.147 2.769 1.00 0.00 N ATOM 478 NH2 ARG A 34 4.768 -1.450 4.993 1.00 0.00 N ATOM 0 H ARG A 34 3.113 -5.384 0.004 1.00 0.00 H new ATOM 0 HA ARG A 34 5.624 -6.636 -0.854 1.00 0.00 H new ATOM 0 HB2 ARG A 34 6.890 -5.363 0.827 1.00 0.00 H new ATOM 0 HB3 ARG A 34 6.231 -4.305 -0.406 1.00 0.00 H new ATOM 0 HG2 ARG A 34 4.396 -3.646 1.108 1.00 0.00 H new ATOM 0 HG3 ARG A 34 4.991 -4.747 2.335 1.00 0.00 H new ATOM 0 HD2 ARG A 34 7.265 -3.380 1.973 1.00 0.00 H new ATOM 0 HD3 ARG A 34 6.169 -2.148 1.379 1.00 0.00 H new ATOM 0 HE ARG A 34 6.446 -3.083 4.154 1.00 0.00 H new ATOM 0 HH11 ARG A 34 4.461 -1.372 1.789 1.00 0.00 H new ATOM 0 HH12 ARG A 34 3.579 -0.461 3.018 1.00 0.00 H new ATOM 0 HH21 ARG A 34 5.307 -1.910 5.727 1.00 0.00 H new ATOM 0 HH22 ARG A 34 4.055 -0.763 5.238 1.00 0.00 H new ATOM 492 N GLU A 35 5.757 -7.862 1.435 1.00 0.00 N ATOM 493 CA GLU A 35 5.584 -8.830 2.511 1.00 0.00 C ATOM 494 C GLU A 35 5.632 -8.145 3.873 1.00 0.00 C ATOM 495 O GLU A 35 6.282 -7.112 4.038 1.00 0.00 O ATOM 496 CB GLU A 35 6.665 -9.911 2.433 1.00 0.00 C ATOM 497 CG GLU A 35 6.415 -10.945 1.348 1.00 0.00 C ATOM 498 CD GLU A 35 5.520 -12.077 1.816 1.00 0.00 C ATOM 499 OE1 GLU A 35 4.696 -11.844 2.725 1.00 0.00 O ATOM 500 OE2 GLU A 35 5.643 -13.194 1.273 1.00 0.00 O ATOM 0 H GLU A 35 6.684 -7.864 1.010 1.00 0.00 H new ATOM 0 HA GLU A 35 4.605 -9.295 2.392 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.630 -9.436 2.255 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.732 -10.416 3.396 1.00 0.00 H new ATOM 0 HG2 GLU A 35 5.959 -10.459 0.486 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.369 -11.355 1.015 1.00 0.00 H new ATOM 507 N SER A 36 4.939 -8.726 4.847 1.00 0.00 N ATOM 508 CA SER A 36 4.899 -8.170 6.194 1.00 0.00 C ATOM 509 C SER A 36 6.020 -8.746 7.054 1.00 0.00 C ATOM 510 O SER A 36 6.141 -9.962 7.204 1.00 0.00 O ATOM 511 CB SER A 36 3.544 -8.453 6.846 1.00 0.00 C ATOM 512 OG SER A 36 2.545 -7.582 6.345 1.00 0.00 O ATOM 0 H SER A 36 4.397 -9.582 4.728 1.00 0.00 H new ATOM 0 HA SER A 36 5.040 -7.092 6.119 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.256 -9.487 6.659 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.625 -8.335 7.927 1.00 0.00 H new ATOM 0 HG SER A 36 1.869 -7.427 7.037 1.00 0.00 H new ATOM 586 N ASP A 42 1.816 -12.349 6.433 1.00 0.00 N ATOM 587 CA ASP A 42 0.988 -11.165 6.239 1.00 0.00 C ATOM 588 C ASP A 42 1.539 -10.294 5.115 1.00 0.00 C ATOM 589 O ASP A 42 2.591 -10.588 4.546 1.00 0.00 O ATOM 590 CB ASP A 42 0.904 -10.357 7.534 1.00 0.00 C ATOM 591 CG ASP A 42 -0.245 -10.798 8.420 1.00 0.00 C ATOM 592 OD1 ASP A 42 -0.580 -12.002 8.401 1.00 0.00 O ATOM 593 OD2 ASP A 42 -0.809 -9.941 9.132 1.00 0.00 O ATOM 0 HA ASP A 42 -0.013 -11.494 5.961 1.00 0.00 H new ATOM 0 HB2 ASP A 42 1.841 -10.457 8.082 1.00 0.00 H new ATOM 0 HB3 ASP A 42 0.788 -9.301 7.292 1.00 0.00 H new ATOM 598 N PHE A 43 0.823 -9.219 4.800 1.00 0.00 N ATOM 599 CA PHE A 43 1.241 -8.305 3.743 1.00 0.00 C ATOM 600 C PHE A 43 0.794 -6.879 4.050 1.00 0.00 C ATOM 601 O PHE A 43 -0.138 -6.661 4.824 1.00 0.00 O ATOM 602 CB PHE A 43 0.667 -8.753 2.397 1.00 0.00 C ATOM 603 CG PHE A 43 1.081 -10.142 2.002 1.00 0.00 C ATOM 604 CD1 PHE A 43 2.239 -10.352 1.270 1.00 0.00 C ATOM 605 CD2 PHE A 43 0.312 -11.236 2.361 1.00 0.00 C ATOM 606 CE1 PHE A 43 2.621 -11.628 0.904 1.00 0.00 C ATOM 607 CE2 PHE A 43 0.690 -12.516 1.997 1.00 0.00 C ATOM 608 CZ PHE A 43 1.847 -12.712 1.269 1.00 0.00 C ATOM 0 H PHE A 43 -0.049 -8.960 5.261 1.00 0.00 H new ATOM 0 HA PHE A 43 2.330 -8.322 3.690 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -0.421 -8.705 2.441 1.00 0.00 H new ATOM 0 HB3 PHE A 43 0.986 -8.054 1.624 1.00 0.00 H new ATOM 0 HD1 PHE A 43 2.849 -9.509 0.983 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -0.593 -11.088 2.932 1.00 0.00 H new ATOM 0 HE1 PHE A 43 3.525 -11.778 0.332 1.00 0.00 H new ATOM 0 HE2 PHE A 43 0.081 -13.361 2.282 1.00 0.00 H new ATOM 0 HZ PHE A 43 2.146 -13.710 0.986 1.00 0.00 H new ATOM 618 N VAL A 44 1.467 -5.909 3.438 1.00 0.00 N ATOM 619 CA VAL A 44 1.141 -4.504 3.644 1.00 0.00 C ATOM 620 C VAL A 44 0.886 -3.798 2.317 1.00 0.00 C ATOM 621 O VAL A 44 1.696 -3.879 1.393 1.00 0.00 O ATOM 622 CB VAL A 44 2.268 -3.771 4.395 1.00 0.00 C ATOM 623 CG1 VAL A 44 1.891 -2.317 4.638 1.00 0.00 C ATOM 624 CG2 VAL A 44 2.582 -4.475 5.705 1.00 0.00 C ATOM 0 H VAL A 44 2.242 -6.072 2.795 1.00 0.00 H new ATOM 0 HA VAL A 44 0.234 -4.475 4.247 1.00 0.00 H new ATOM 0 HB VAL A 44 3.165 -3.790 3.776 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.700 -1.815 5.170 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.722 -1.820 3.683 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.981 -2.272 5.236 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.381 -3.943 6.222 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.691 -4.490 6.333 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.900 -5.498 5.501 1.00 0.00 H new ATOM 634 N LEU A 45 -0.244 -3.106 2.229 1.00 0.00 N ATOM 635 CA LEU A 45 -0.607 -2.385 1.014 1.00 0.00 C ATOM 636 C LEU A 45 -0.224 -0.912 1.120 1.00 0.00 C ATOM 637 O LEU A 45 -0.907 -0.130 1.781 1.00 0.00 O ATOM 638 CB LEU A 45 -2.109 -2.516 0.750 1.00 0.00 C ATOM 639 CG LEU A 45 -2.540 -2.451 -0.716 1.00 0.00 C ATOM 640 CD1 LEU A 45 -2.128 -1.124 -1.336 1.00 0.00 C ATOM 641 CD2 LEU A 45 -1.946 -3.614 -1.498 1.00 0.00 C ATOM 0 H LEU A 45 -0.925 -3.029 2.984 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.058 -2.825 0.181 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.450 -3.464 1.167 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.624 -1.725 1.295 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.627 -2.527 -0.759 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.443 -1.096 -2.379 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.601 -0.306 -0.792 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.045 -1.018 -1.281 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.263 -3.552 -2.539 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.858 -3.569 -1.447 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.291 -4.555 -1.069 1.00 0.00 H new ATOM 653 N SER A 46 0.871 -0.543 0.465 1.00 0.00 N ATOM 654 CA SER A 46 1.347 0.836 0.486 1.00 0.00 C ATOM 655 C SER A 46 0.848 1.601 -0.736 1.00 0.00 C ATOM 656 O SER A 46 0.786 1.060 -1.839 1.00 0.00 O ATOM 657 CB SER A 46 2.875 0.869 0.534 1.00 0.00 C ATOM 658 OG SER A 46 3.339 2.039 1.187 1.00 0.00 O ATOM 0 H SER A 46 1.446 -1.179 -0.087 1.00 0.00 H new ATOM 0 HA SER A 46 0.952 1.318 1.381 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.245 -0.014 1.056 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.275 0.831 -0.479 1.00 0.00 H new ATOM 0 HG SER A 46 3.189 1.956 2.152 1.00 0.00 H new ATOM 664 N VAL A 47 0.493 2.866 -0.529 1.00 0.00 N ATOM 665 CA VAL A 47 0.000 3.708 -1.613 1.00 0.00 C ATOM 666 C VAL A 47 0.431 5.158 -1.421 1.00 0.00 C ATOM 667 O VAL A 47 0.469 5.663 -0.298 1.00 0.00 O ATOM 668 CB VAL A 47 -1.536 3.649 -1.715 1.00 0.00 C ATOM 669 CG1 VAL A 47 -1.994 4.071 -3.103 1.00 0.00 C ATOM 670 CG2 VAL A 47 -2.039 2.254 -1.380 1.00 0.00 C ATOM 0 H VAL A 47 0.538 3.329 0.379 1.00 0.00 H new ATOM 0 HA VAL A 47 0.433 3.323 -2.536 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.959 4.346 -0.991 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.082 4.023 -3.157 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.665 5.091 -3.300 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.564 3.401 -3.847 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.126 2.231 -1.457 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.610 1.535 -2.078 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.742 1.994 -0.364 1.00 0.00 H new ATOM 680 N LEU A 48 0.755 5.823 -2.524 1.00 0.00 N ATOM 681 CA LEU A 48 1.183 7.217 -2.478 1.00 0.00 C ATOM 682 C LEU A 48 0.027 8.154 -2.815 1.00 0.00 C ATOM 683 O LEU A 48 -0.521 8.107 -3.917 1.00 0.00 O ATOM 684 CB LEU A 48 2.341 7.448 -3.450 1.00 0.00 C ATOM 685 CG LEU A 48 3.184 8.700 -3.206 1.00 0.00 C ATOM 686 CD1 LEU A 48 3.784 8.676 -1.808 1.00 0.00 C ATOM 687 CD2 LEU A 48 4.278 8.820 -4.257 1.00 0.00 C ATOM 0 H LEU A 48 0.730 5.420 -3.461 1.00 0.00 H new ATOM 0 HA LEU A 48 1.519 7.434 -1.464 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.998 6.579 -3.413 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.936 7.499 -4.461 1.00 0.00 H new ATOM 0 HG LEU A 48 2.535 9.572 -3.285 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.381 9.575 -1.653 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.984 8.640 -1.069 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.418 7.796 -1.699 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.868 9.717 -4.067 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.925 7.944 -4.211 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.826 8.885 -5.247 1.00 0.00 H new ATOM 699 N SER A 49 -0.337 9.004 -1.860 1.00 0.00 N ATOM 700 CA SER A 49 -1.429 9.950 -2.057 1.00 0.00 C ATOM 701 C SER A 49 -0.981 11.126 -2.920 1.00 0.00 C ATOM 702 O SER A 49 0.201 11.463 -2.964 1.00 0.00 O ATOM 703 CB SER A 49 -1.938 10.459 -0.707 1.00 0.00 C ATOM 704 OG SER A 49 -0.937 11.199 -0.029 1.00 0.00 O ATOM 0 H SER A 49 0.108 9.057 -0.944 1.00 0.00 H new ATOM 0 HA SER A 49 -2.238 9.432 -2.572 1.00 0.00 H new ATOM 0 HB2 SER A 49 -2.817 11.085 -0.859 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.250 9.615 -0.091 1.00 0.00 H new ATOM 0 HG SER A 49 -0.252 10.587 0.312 1.00 0.00 H new ATOM 710 N ASP A 50 -1.936 11.745 -3.605 1.00 0.00 N ATOM 711 CA ASP A 50 -1.642 12.884 -4.468 1.00 0.00 C ATOM 712 C ASP A 50 -1.582 14.177 -3.659 1.00 0.00 C ATOM 713 O ASP A 50 -1.701 15.270 -4.211 1.00 0.00 O ATOM 714 CB ASP A 50 -2.698 13.004 -5.567 1.00 0.00 C ATOM 715 CG ASP A 50 -2.489 14.226 -6.439 1.00 0.00 C ATOM 716 OD1 ASP A 50 -1.321 14.619 -6.639 1.00 0.00 O ATOM 717 OD2 ASP A 50 -3.494 14.791 -6.920 1.00 0.00 O ATOM 0 H ASP A 50 -2.920 11.478 -3.580 1.00 0.00 H new ATOM 0 HA ASP A 50 -0.668 12.719 -4.928 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -2.674 12.109 -6.189 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -3.688 13.050 -5.113 1.00 0.00 H new ATOM 722 N GLN A 51 -1.399 14.041 -2.350 1.00 0.00 N ATOM 723 CA GLN A 51 -1.326 15.200 -1.466 1.00 0.00 C ATOM 724 C GLN A 51 -0.057 15.159 -0.621 1.00 0.00 C ATOM 725 O GLN A 51 0.191 14.214 0.128 1.00 0.00 O ATOM 726 CB GLN A 51 -2.555 15.253 -0.558 1.00 0.00 C ATOM 727 CG GLN A 51 -3.843 15.583 -1.296 1.00 0.00 C ATOM 728 CD GLN A 51 -4.098 17.074 -1.385 1.00 0.00 C ATOM 729 OE1 GLN A 51 -3.165 17.878 -1.359 1.00 0.00 O ATOM 730 NE2 GLN A 51 -5.366 17.453 -1.493 1.00 0.00 N ATOM 0 H GLN A 51 -1.299 13.142 -1.878 1.00 0.00 H new ATOM 0 HA GLN A 51 -1.301 16.097 -2.085 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -2.669 14.291 -0.058 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -2.390 15.999 0.219 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -3.798 15.165 -2.302 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -4.681 15.104 -0.789 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -6.108 16.753 -1.511 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -5.598 18.444 -1.558 1.00 0.00 H new ATOM 739 N PRO A 52 0.770 16.210 -0.743 1.00 0.00 N ATOM 740 CA PRO A 52 2.028 16.318 0.002 1.00 0.00 C ATOM 741 C PRO A 52 1.800 16.545 1.492 1.00 0.00 C ATOM 742 O PRO A 52 0.819 17.170 1.893 1.00 0.00 O ATOM 743 CB PRO A 52 2.708 17.537 -0.627 1.00 0.00 C ATOM 744 CG PRO A 52 1.590 18.353 -1.178 1.00 0.00 C ATOM 745 CD PRO A 52 0.538 17.372 -1.618 1.00 0.00 C ATOM 0 HA PRO A 52 2.619 15.404 -0.059 1.00 0.00 H new ATOM 0 HB2 PRO A 52 3.279 18.097 0.113 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.405 17.241 -1.411 1.00 0.00 H new ATOM 0 HG2 PRO A 52 1.197 19.035 -0.424 1.00 0.00 H new ATOM 0 HG3 PRO A 52 1.928 18.964 -2.015 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -0.466 17.776 -1.492 1.00 0.00 H new ATOM 0 HD3 PRO A 52 0.647 17.111 -2.671 1.00 0.00 H new ATOM 753 N LYS A 53 2.715 16.034 2.310 1.00 0.00 N ATOM 754 CA LYS A 53 2.616 16.182 3.757 1.00 0.00 C ATOM 755 C LYS A 53 2.668 17.653 4.158 1.00 0.00 C ATOM 756 O LYS A 53 1.883 18.106 4.989 1.00 0.00 O ATOM 757 CB LYS A 53 3.746 15.413 4.446 1.00 0.00 C ATOM 758 CG LYS A 53 5.127 15.752 3.911 1.00 0.00 C ATOM 759 CD LYS A 53 6.196 14.867 4.529 1.00 0.00 C ATOM 760 CE LYS A 53 6.397 15.181 6.003 1.00 0.00 C ATOM 761 NZ LYS A 53 7.141 16.457 6.202 1.00 0.00 N ATOM 0 H LYS A 53 3.534 15.514 1.995 1.00 0.00 H new ATOM 0 HA LYS A 53 1.658 15.771 4.076 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.718 15.623 5.515 1.00 0.00 H new ATOM 0 HB3 LYS A 53 3.572 14.344 4.327 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.138 15.634 2.827 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.353 16.798 4.120 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.914 13.820 4.414 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.136 15.004 3.995 1.00 0.00 H new ATOM 0 HE2 LYS A 53 5.427 15.245 6.496 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.942 14.365 6.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.317 16.602 7.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 8.049 16.412 5.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 6.577 17.249 5.832 1.00 0.00 H new ATOM 813 N SER A 58 7.151 19.042 -0.364 1.00 0.00 N ATOM 814 CA SER A 58 7.284 17.840 0.450 1.00 0.00 C ATOM 815 C SER A 58 6.858 16.603 -0.334 1.00 0.00 C ATOM 816 O SER A 58 6.065 16.673 -1.272 1.00 0.00 O ATOM 817 CB SER A 58 6.445 17.965 1.724 1.00 0.00 C ATOM 818 OG SER A 58 5.119 18.364 1.422 1.00 0.00 O ATOM 0 HA SER A 58 8.333 17.731 0.724 1.00 0.00 H new ATOM 0 HB2 SER A 58 6.430 17.010 2.249 1.00 0.00 H new ATOM 0 HB3 SER A 58 6.903 18.691 2.396 1.00 0.00 H new ATOM 0 HG SER A 58 5.122 18.934 0.625 1.00 0.00 H new ATOM 824 N PRO A 59 7.398 15.439 0.059 1.00 0.00 N ATOM 825 CA PRO A 59 7.088 14.163 -0.592 1.00 0.00 C ATOM 826 C PRO A 59 5.660 13.705 -0.320 1.00 0.00 C ATOM 827 O PRO A 59 5.191 13.743 0.818 1.00 0.00 O ATOM 828 CB PRO A 59 8.091 13.192 0.037 1.00 0.00 C ATOM 829 CG PRO A 59 8.418 13.790 1.361 1.00 0.00 C ATOM 830 CD PRO A 59 8.352 15.281 1.170 1.00 0.00 C ATOM 0 HA PRO A 59 7.162 14.230 -1.677 1.00 0.00 H new ATOM 0 HB2 PRO A 59 7.662 12.196 0.148 1.00 0.00 H new ATOM 0 HB3 PRO A 59 8.983 13.088 -0.581 1.00 0.00 H new ATOM 0 HG2 PRO A 59 7.710 13.462 2.123 1.00 0.00 H new ATOM 0 HG3 PRO A 59 9.409 13.483 1.694 1.00 0.00 H new ATOM 0 HD2 PRO A 59 8.007 15.787 2.072 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.328 15.699 0.924 1.00 0.00 H new ATOM 838 N LEU A 60 4.973 13.270 -1.371 1.00 0.00 N ATOM 839 CA LEU A 60 3.596 12.803 -1.245 1.00 0.00 C ATOM 840 C LEU A 60 3.452 11.848 -0.065 1.00 0.00 C ATOM 841 O LEU A 60 4.217 10.894 0.072 1.00 0.00 O ATOM 842 CB LEU A 60 3.152 12.110 -2.534 1.00 0.00 C ATOM 843 CG LEU A 60 2.596 13.022 -3.629 1.00 0.00 C ATOM 844 CD1 LEU A 60 3.372 14.328 -3.681 1.00 0.00 C ATOM 845 CD2 LEU A 60 2.638 12.320 -4.979 1.00 0.00 C ATOM 0 H LEU A 60 5.346 13.231 -2.319 1.00 0.00 H new ATOM 0 HA LEU A 60 2.959 13.669 -1.068 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.003 11.564 -2.941 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.391 11.372 -2.282 1.00 0.00 H new ATOM 0 HG LEU A 60 1.557 13.250 -3.392 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.962 14.964 -4.466 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.290 14.838 -2.721 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.421 14.120 -3.893 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.239 12.983 -5.746 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.668 12.062 -5.223 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.037 11.412 -4.936 1.00 0.00 H new ATOM 857 N ARG A 61 2.462 12.111 0.784 1.00 0.00 N ATOM 858 CA ARG A 61 2.216 11.273 1.953 1.00 0.00 C ATOM 859 C ARG A 61 1.874 9.846 1.536 1.00 0.00 C ATOM 860 O ARG A 61 1.099 9.628 0.605 1.00 0.00 O ATOM 861 CB ARG A 61 1.080 11.856 2.794 1.00 0.00 C ATOM 862 CG ARG A 61 0.871 11.139 4.117 1.00 0.00 C ATOM 863 CD ARG A 61 1.747 11.726 5.213 1.00 0.00 C ATOM 864 NE ARG A 61 1.207 11.461 6.544 1.00 0.00 N ATOM 865 CZ ARG A 61 1.234 10.266 7.124 1.00 0.00 C ATOM 866 NH1 ARG A 61 1.770 9.231 6.492 1.00 0.00 N ATOM 867 NH2 ARG A 61 0.723 10.104 8.338 1.00 0.00 N ATOM 0 H ARG A 61 1.819 12.896 0.684 1.00 0.00 H new ATOM 0 HA ARG A 61 3.127 11.250 2.551 1.00 0.00 H new ATOM 0 HB2 ARG A 61 1.287 12.908 2.990 1.00 0.00 H new ATOM 0 HB3 ARG A 61 0.155 11.815 2.218 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.177 11.211 4.409 1.00 0.00 H new ATOM 0 HG3 ARG A 61 1.097 10.079 3.998 1.00 0.00 H new ATOM 0 HD2 ARG A 61 2.751 11.307 5.139 1.00 0.00 H new ATOM 0 HD3 ARG A 61 1.839 12.802 5.066 1.00 0.00 H new ATOM 0 HE ARG A 61 0.786 12.236 7.056 1.00 0.00 H new ATOM 0 HH11 ARG A 61 2.163 9.351 5.558 1.00 0.00 H new ATOM 0 HH12 ARG A 61 1.790 8.315 6.939 1.00 0.00 H new ATOM 0 HH21 ARG A 61 0.309 10.898 8.827 1.00 0.00 H new ATOM 0 HH22 ARG A 61 0.744 9.186 8.782 1.00 0.00 H new ATOM 881 N VAL A 62 2.459 8.876 2.232 1.00 0.00 N ATOM 882 CA VAL A 62 2.216 7.469 1.935 1.00 0.00 C ATOM 883 C VAL A 62 1.199 6.872 2.901 1.00 0.00 C ATOM 884 O VAL A 62 1.016 7.367 4.014 1.00 0.00 O ATOM 885 CB VAL A 62 3.518 6.648 2.005 1.00 0.00 C ATOM 886 CG1 VAL A 62 3.262 5.207 1.591 1.00 0.00 C ATOM 887 CG2 VAL A 62 4.592 7.279 1.133 1.00 0.00 C ATOM 0 H VAL A 62 3.104 9.039 3.005 1.00 0.00 H new ATOM 0 HA VAL A 62 1.820 7.423 0.920 1.00 0.00 H new ATOM 0 HB VAL A 62 3.873 6.648 3.036 1.00 0.00 H new ATOM 0 HG11 VAL A 62 4.192 4.642 1.646 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.526 4.761 2.260 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.884 5.184 0.569 1.00 0.00 H new ATOM 0 HG21 VAL A 62 5.505 6.686 1.194 1.00 0.00 H new ATOM 0 HG22 VAL A 62 4.249 7.311 0.099 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.793 8.292 1.480 1.00 0.00 H new ATOM 897 N THR A 63 0.539 5.801 2.468 1.00 0.00 N ATOM 898 CA THR A 63 -0.461 5.136 3.294 1.00 0.00 C ATOM 899 C THR A 63 -0.217 3.632 3.348 1.00 0.00 C ATOM 900 O THR A 63 -0.142 2.967 2.314 1.00 0.00 O ATOM 901 CB THR A 63 -1.886 5.394 2.769 1.00 0.00 C ATOM 902 OG1 THR A 63 -2.118 6.802 2.654 1.00 0.00 O ATOM 903 CG2 THR A 63 -2.924 4.778 3.694 1.00 0.00 C ATOM 0 H THR A 63 0.679 5.377 1.551 1.00 0.00 H new ATOM 0 HA THR A 63 -0.370 5.553 4.297 1.00 0.00 H new ATOM 0 HB THR A 63 -1.977 4.930 1.787 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.025 6.958 2.318 1.00 0.00 H new ATOM 0 HG21 THR A 63 -3.922 4.974 3.302 1.00 0.00 H new ATOM 0 HG22 THR A 63 -2.763 3.702 3.756 1.00 0.00 H new ATOM 0 HG23 THR A 63 -2.832 5.217 4.688 1.00 0.00 H new ATOM 911 N HIS A 64 -0.093 3.101 4.560 1.00 0.00 N ATOM 912 CA HIS A 64 0.142 1.674 4.749 1.00 0.00 C ATOM 913 C HIS A 64 -1.111 0.982 5.278 1.00 0.00 C ATOM 914 O HIS A 64 -1.516 1.201 6.420 1.00 0.00 O ATOM 915 CB HIS A 64 1.308 1.450 5.713 1.00 0.00 C ATOM 916 CG HIS A 64 2.525 2.256 5.378 1.00 0.00 C ATOM 917 ND1 HIS A 64 3.333 1.982 4.294 1.00 0.00 N ATOM 918 CD2 HIS A 64 3.071 3.332 5.989 1.00 0.00 C ATOM 919 CE1 HIS A 64 4.323 2.856 4.254 1.00 0.00 C ATOM 920 NE2 HIS A 64 4.186 3.686 5.272 1.00 0.00 N ATOM 0 H HIS A 64 -0.151 3.637 5.426 1.00 0.00 H new ATOM 0 HA HIS A 64 0.393 1.241 3.781 1.00 0.00 H new ATOM 0 HB2 HIS A 64 0.985 1.698 6.724 1.00 0.00 H new ATOM 0 HB3 HIS A 64 1.571 0.392 5.712 1.00 0.00 H new ATOM 0 HD2 HIS A 64 2.698 3.822 6.877 1.00 0.00 H new ATOM 0 HE1 HIS A 64 5.110 2.886 3.515 1.00 0.00 H new ATOM 0 HE2 HIS A 64 4.808 4.464 5.490 1.00 0.00 H new ATOM 929 N ILE A 65 -1.719 0.149 4.441 1.00 0.00 N ATOM 930 CA ILE A 65 -2.926 -0.574 4.825 1.00 0.00 C ATOM 931 C ILE A 65 -2.625 -2.047 5.079 1.00 0.00 C ATOM 932 O ILE A 65 -2.359 -2.808 4.148 1.00 0.00 O ATOM 933 CB ILE A 65 -4.016 -0.463 3.743 1.00 0.00 C ATOM 934 CG1 ILE A 65 -4.361 1.005 3.485 1.00 0.00 C ATOM 935 CG2 ILE A 65 -5.257 -1.237 4.162 1.00 0.00 C ATOM 936 CD1 ILE A 65 -5.095 1.233 2.182 1.00 0.00 C ATOM 0 H ILE A 65 -1.396 -0.042 3.493 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.291 -0.116 5.744 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.635 -0.896 2.818 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.973 1.376 4.307 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.442 1.591 3.482 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -6.019 -1.150 3.388 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -5.001 -2.287 4.302 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.642 -0.830 5.097 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.307 2.296 2.065 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.476 0.893 1.352 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -6.031 0.675 2.189 1.00 0.00 H new ATOM 948 N LYS A 66 -2.671 -2.445 6.346 1.00 0.00 N ATOM 949 CA LYS A 66 -2.408 -3.829 6.724 1.00 0.00 C ATOM 950 C LYS A 66 -3.305 -4.786 5.947 1.00 0.00 C ATOM 951 O LYS A 66 -4.527 -4.635 5.933 1.00 0.00 O ATOM 952 CB LYS A 66 -2.624 -4.018 8.228 1.00 0.00 C ATOM 953 CG LYS A 66 -1.441 -3.578 9.072 1.00 0.00 C ATOM 954 CD LYS A 66 -1.352 -4.374 10.363 1.00 0.00 C ATOM 955 CE LYS A 66 -0.144 -3.959 11.191 1.00 0.00 C ATOM 956 NZ LYS A 66 0.001 -4.793 12.418 1.00 0.00 N ATOM 0 H LYS A 66 -2.888 -1.828 7.129 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.370 -4.055 6.480 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.507 -3.456 8.533 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -2.831 -5.069 8.428 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -0.520 -3.702 8.502 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -1.532 -2.517 9.303 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -2.262 -4.228 10.946 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -1.289 -5.437 10.133 1.00 0.00 H new ATOM 0 HE2 LYS A 66 0.758 -4.044 10.585 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -0.240 -2.911 11.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 0.835 -4.479 12.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -0.849 -4.692 13.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 0.118 -5.790 12.148 1.00 0.00 H new ATOM 970 N VAL A 67 -2.691 -5.772 5.300 1.00 0.00 N ATOM 971 CA VAL A 67 -3.435 -6.755 4.522 1.00 0.00 C ATOM 972 C VAL A 67 -3.428 -8.118 5.207 1.00 0.00 C ATOM 973 O VAL A 67 -2.390 -8.772 5.298 1.00 0.00 O ATOM 974 CB VAL A 67 -2.855 -6.904 3.103 1.00 0.00 C ATOM 975 CG1 VAL A 67 -3.629 -7.950 2.317 1.00 0.00 C ATOM 976 CG2 VAL A 67 -2.866 -5.565 2.381 1.00 0.00 C ATOM 0 H VAL A 67 -1.680 -5.911 5.299 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.460 -6.392 4.451 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.821 -7.239 3.184 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.205 -8.041 1.317 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.564 -8.911 2.828 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.674 -7.649 2.242 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -2.453 -5.688 1.380 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -3.890 -5.199 2.308 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -2.263 -4.847 2.937 1.00 0.00 H new ATOM 986 N MET A 68 -4.593 -8.538 5.688 1.00 0.00 N ATOM 987 CA MET A 68 -4.722 -9.824 6.364 1.00 0.00 C ATOM 988 C MET A 68 -4.885 -10.955 5.354 1.00 0.00 C ATOM 989 O MET A 68 -5.746 -10.896 4.475 1.00 0.00 O ATOM 990 CB MET A 68 -5.914 -9.804 7.322 1.00 0.00 C ATOM 991 CG MET A 68 -5.738 -8.851 8.493 1.00 0.00 C ATOM 992 SD MET A 68 -7.309 -8.337 9.214 1.00 0.00 S ATOM 993 CE MET A 68 -7.437 -6.664 8.588 1.00 0.00 C ATOM 0 H MET A 68 -5.461 -8.007 5.622 1.00 0.00 H new ATOM 0 HA MET A 68 -3.810 -9.999 6.935 1.00 0.00 H new ATOM 0 HB2 MET A 68 -6.810 -9.524 6.768 1.00 0.00 H new ATOM 0 HB3 MET A 68 -6.078 -10.811 7.705 1.00 0.00 H new ATOM 0 HG2 MET A 68 -5.131 -9.332 9.260 1.00 0.00 H new ATOM 0 HG3 MET A 68 -5.190 -7.970 8.160 1.00 0.00 H new ATOM 0 HE1 MET A 68 -8.202 -6.124 9.147 1.00 0.00 H new ATOM 0 HE2 MET A 68 -6.478 -6.158 8.703 1.00 0.00 H new ATOM 0 HE3 MET A 68 -7.709 -6.690 7.533 1.00 0.00 H new ATOM 1003 N CYS A 69 -4.053 -11.983 5.485 1.00 0.00 N ATOM 1004 CA CYS A 69 -4.105 -13.128 4.582 1.00 0.00 C ATOM 1005 C CYS A 69 -4.647 -14.361 5.298 1.00 0.00 C ATOM 1006 O CYS A 69 -4.047 -14.848 6.255 1.00 0.00 O ATOM 1007 CB CYS A 69 -2.714 -13.422 4.017 1.00 0.00 C ATOM 1008 SG CYS A 69 -2.630 -14.916 3.003 1.00 0.00 S ATOM 0 H CYS A 69 -3.335 -12.047 6.207 1.00 0.00 H new ATOM 0 HA CYS A 69 -4.778 -12.882 3.761 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -2.389 -12.571 3.418 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -2.010 -13.517 4.844 1.00 0.00 H new ATOM 0 HG CYS A 69 -2.557 -14.585 1.748 1.00 0.00 H new ATOM 1043 N ARG A 73 -6.509 -16.375 1.018 1.00 0.00 N ATOM 1044 CA ARG A 73 -7.340 -15.215 0.717 1.00 0.00 C ATOM 1045 C ARG A 73 -6.736 -13.944 1.308 1.00 0.00 C ATOM 1046 O ARG A 73 -5.736 -13.996 2.026 1.00 0.00 O ATOM 1047 CB ARG A 73 -8.755 -15.420 1.261 1.00 0.00 C ATOM 1048 CG ARG A 73 -9.528 -16.517 0.548 1.00 0.00 C ATOM 1049 CD ARG A 73 -10.735 -16.964 1.357 1.00 0.00 C ATOM 1050 NE ARG A 73 -11.354 -18.164 0.800 1.00 0.00 N ATOM 1051 CZ ARG A 73 -10.804 -19.372 0.864 1.00 0.00 C ATOM 1052 NH1 ARG A 73 -9.631 -19.540 1.458 1.00 0.00 N ATOM 1053 NH2 ARG A 73 -11.429 -20.415 0.333 1.00 0.00 N ATOM 0 HA ARG A 73 -7.386 -15.105 -0.366 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -8.696 -15.660 2.323 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -9.307 -14.484 1.176 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -9.855 -16.158 -0.428 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -8.872 -17.369 0.370 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -10.430 -17.157 2.386 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -11.469 -16.159 1.388 1.00 0.00 H new ATOM 0 HE ARG A 73 -12.258 -18.070 0.337 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -9.148 -18.741 1.868 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -9.212 -20.469 1.505 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -12.332 -20.290 -0.125 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -11.006 -21.342 0.382 1.00 0.00 H new ATOM 1067 N TYR A 74 -7.347 -12.806 1.002 1.00 0.00 N ATOM 1068 CA TYR A 74 -6.869 -11.523 1.500 1.00 0.00 C ATOM 1069 C TYR A 74 -8.035 -10.614 1.876 1.00 0.00 C ATOM 1070 O TYR A 74 -9.091 -10.644 1.243 1.00 0.00 O ATOM 1071 CB TYR A 74 -5.994 -10.838 0.449 1.00 0.00 C ATOM 1072 CG TYR A 74 -4.779 -11.646 0.052 1.00 0.00 C ATOM 1073 CD1 TYR A 74 -3.616 -11.608 0.811 1.00 0.00 C ATOM 1074 CD2 TYR A 74 -4.795 -12.450 -1.081 1.00 0.00 C ATOM 1075 CE1 TYR A 74 -2.504 -12.345 0.452 1.00 0.00 C ATOM 1076 CE2 TYR A 74 -3.688 -13.191 -1.447 1.00 0.00 C ATOM 1077 CZ TYR A 74 -2.545 -13.135 -0.677 1.00 0.00 C ATOM 1078 OH TYR A 74 -1.440 -13.871 -1.038 1.00 0.00 O ATOM 0 H TYR A 74 -8.176 -12.746 0.410 1.00 0.00 H new ATOM 0 HA TYR A 74 -6.274 -11.709 2.394 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -6.595 -10.641 -0.439 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -5.667 -9.872 0.834 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -3.581 -10.992 1.697 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -5.688 -12.496 -1.686 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -1.607 -12.302 1.053 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -3.717 -13.811 -2.331 1.00 0.00 H new ATOM 0 HH TYR A 74 -1.635 -14.374 -1.856 1.00 0.00 H new ATOM 1088 N THR A 75 -7.837 -9.805 2.912 1.00 0.00 N ATOM 1089 CA THR A 75 -8.871 -8.889 3.375 1.00 0.00 C ATOM 1090 C THR A 75 -8.260 -7.679 4.075 1.00 0.00 C ATOM 1091 O THR A 75 -7.082 -7.685 4.433 1.00 0.00 O ATOM 1092 CB THR A 75 -9.849 -9.585 4.340 1.00 0.00 C ATOM 1093 OG1 THR A 75 -11.007 -8.766 4.540 1.00 0.00 O ATOM 1094 CG2 THR A 75 -9.183 -9.866 5.678 1.00 0.00 C ATOM 0 H THR A 75 -6.969 -9.766 3.446 1.00 0.00 H new ATOM 0 HA THR A 75 -9.418 -8.558 2.492 1.00 0.00 H new ATOM 0 HB THR A 75 -10.148 -10.534 3.895 1.00 0.00 H new ATOM 0 HG1 THR A 75 -11.212 -8.717 5.497 1.00 0.00 H new ATOM 0 HG21 THR A 75 -9.894 -10.358 6.342 1.00 0.00 H new ATOM 0 HG22 THR A 75 -8.320 -10.514 5.526 1.00 0.00 H new ATOM 0 HG23 THR A 75 -8.857 -8.927 6.126 1.00 0.00 H new ATOM 1102 N VAL A 76 -9.069 -6.643 4.267 1.00 0.00 N ATOM 1103 CA VAL A 76 -8.610 -5.426 4.926 1.00 0.00 C ATOM 1104 C VAL A 76 -9.752 -4.730 5.656 1.00 0.00 C ATOM 1105 O VAL A 76 -10.682 -4.221 5.033 1.00 0.00 O ATOM 1106 CB VAL A 76 -7.985 -4.443 3.918 1.00 0.00 C ATOM 1107 CG1 VAL A 76 -6.685 -5.003 3.359 1.00 0.00 C ATOM 1108 CG2 VAL A 76 -8.967 -4.135 2.798 1.00 0.00 C ATOM 0 H VAL A 76 -10.046 -6.622 3.976 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.851 -5.726 5.649 1.00 0.00 H new ATOM 0 HB VAL A 76 -7.757 -3.513 4.438 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.259 -4.294 2.649 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -5.980 -5.169 4.174 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.884 -5.948 2.853 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -8.510 -3.439 2.094 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -9.228 -5.057 2.279 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -9.868 -3.688 3.217 1.00 0.00 H new ATOM 1118 N GLY A 77 -9.675 -4.711 6.984 1.00 0.00 N ATOM 1119 CA GLY A 77 -10.709 -4.075 7.779 1.00 0.00 C ATOM 1120 C GLY A 77 -11.977 -4.905 7.851 1.00 0.00 C ATOM 1121 O GLY A 77 -12.476 -5.193 8.938 1.00 0.00 O ATOM 0 H GLY A 77 -8.914 -5.125 7.523 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -10.333 -3.903 8.788 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -10.941 -3.098 7.354 1.00 0.00 H new ATOM 1125 N GLY A 78 -12.500 -5.287 6.691 1.00 0.00 N ATOM 1126 CA GLY A 78 -13.714 -6.081 6.650 1.00 0.00 C ATOM 1127 C GLY A 78 -13.434 -7.555 6.434 1.00 0.00 C ATOM 1128 O GLY A 78 -12.292 -8.003 6.552 1.00 0.00 O ATOM 0 H GLY A 78 -12.105 -5.061 5.778 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -14.261 -5.951 7.584 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -14.357 -5.715 5.850 1.00 0.00 H new ATOM 1132 N LEU A 79 -14.477 -8.314 6.117 1.00 0.00 N ATOM 1133 CA LEU A 79 -14.340 -9.748 5.886 1.00 0.00 C ATOM 1134 C LEU A 79 -14.062 -10.037 4.415 1.00 0.00 C ATOM 1135 O LEU A 79 -13.518 -11.086 4.071 1.00 0.00 O ATOM 1136 CB LEU A 79 -15.606 -10.480 6.332 1.00 0.00 C ATOM 1137 CG LEU A 79 -16.873 -10.178 5.531 1.00 0.00 C ATOM 1138 CD1 LEU A 79 -16.979 -11.103 4.329 1.00 0.00 C ATOM 1139 CD2 LEU A 79 -18.105 -10.306 6.415 1.00 0.00 C ATOM 0 H LEU A 79 -15.428 -7.960 6.014 1.00 0.00 H new ATOM 0 HA LEU A 79 -13.495 -10.107 6.474 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -15.417 -11.552 6.285 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -15.794 -10.235 7.377 1.00 0.00 H new ATOM 0 HG LEU A 79 -16.815 -9.152 5.169 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -17.887 -10.873 3.772 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -16.112 -10.962 3.684 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -17.014 -12.138 4.669 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -18.998 -10.088 5.829 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -18.168 -11.321 6.807 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -18.033 -9.601 7.243 1.00 0.00 H new ATOM 1151 N GLU A 80 -14.438 -9.099 3.550 1.00 0.00 N ATOM 1152 CA GLU A 80 -14.227 -9.255 2.116 1.00 0.00 C ATOM 1153 C GLU A 80 -12.930 -10.009 1.835 1.00 0.00 C ATOM 1154 O GLU A 80 -11.854 -9.414 1.766 1.00 0.00 O ATOM 1155 CB GLU A 80 -14.193 -7.886 1.432 1.00 0.00 C ATOM 1156 CG GLU A 80 -13.273 -6.888 2.115 1.00 0.00 C ATOM 1157 CD GLU A 80 -13.976 -6.090 3.196 1.00 0.00 C ATOM 1158 OE1 GLU A 80 -15.156 -6.390 3.479 1.00 0.00 O ATOM 1159 OE2 GLU A 80 -13.349 -5.170 3.759 1.00 0.00 O ATOM 0 H GLU A 80 -14.890 -8.224 3.818 1.00 0.00 H new ATOM 0 HA GLU A 80 -15.058 -9.835 1.713 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -13.873 -8.014 0.398 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -15.203 -7.477 1.405 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -12.428 -7.419 2.553 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -12.868 -6.204 1.369 1.00 0.00 H new ATOM 1166 N THR A 81 -13.040 -11.324 1.674 1.00 0.00 N ATOM 1167 CA THR A 81 -11.878 -12.160 1.402 1.00 0.00 C ATOM 1168 C THR A 81 -11.741 -12.441 -0.090 1.00 0.00 C ATOM 1169 O THR A 81 -12.457 -13.276 -0.643 1.00 0.00 O ATOM 1170 CB THR A 81 -11.961 -13.499 2.159 1.00 0.00 C ATOM 1171 OG1 THR A 81 -13.221 -14.129 1.906 1.00 0.00 O ATOM 1172 CG2 THR A 81 -11.786 -13.285 3.655 1.00 0.00 C ATOM 0 H THR A 81 -13.922 -11.833 1.727 1.00 0.00 H new ATOM 0 HA THR A 81 -11.003 -11.609 1.747 1.00 0.00 H new ATOM 0 HB THR A 81 -11.157 -14.143 1.803 1.00 0.00 H new ATOM 0 HG1 THR A 81 -13.437 -14.058 0.953 1.00 0.00 H new ATOM 0 HG21 THR A 81 -11.848 -14.244 4.169 1.00 0.00 H new ATOM 0 HG22 THR A 81 -10.813 -12.833 3.846 1.00 0.00 H new ATOM 0 HG23 THR A 81 -12.571 -12.625 4.022 1.00 0.00 H new ATOM 1180 N PHE A 82 -10.815 -11.741 -0.736 1.00 0.00 N ATOM 1181 CA PHE A 82 -10.583 -11.914 -2.165 1.00 0.00 C ATOM 1182 C PHE A 82 -9.743 -13.160 -2.432 1.00 0.00 C ATOM 1183 O PHE A 82 -8.888 -13.529 -1.628 1.00 0.00 O ATOM 1184 CB PHE A 82 -9.886 -10.682 -2.744 1.00 0.00 C ATOM 1185 CG PHE A 82 -10.531 -9.385 -2.346 1.00 0.00 C ATOM 1186 CD1 PHE A 82 -10.265 -8.814 -1.112 1.00 0.00 C ATOM 1187 CD2 PHE A 82 -11.404 -8.738 -3.205 1.00 0.00 C ATOM 1188 CE1 PHE A 82 -10.856 -7.621 -0.742 1.00 0.00 C ATOM 1189 CE2 PHE A 82 -11.999 -7.545 -2.841 1.00 0.00 C ATOM 1190 CZ PHE A 82 -11.725 -6.986 -1.607 1.00 0.00 C ATOM 0 H PHE A 82 -10.212 -11.048 -0.292 1.00 0.00 H new ATOM 0 HA PHE A 82 -11.550 -12.037 -2.652 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -8.846 -10.676 -2.418 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -9.879 -10.756 -3.831 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -9.587 -9.307 -0.431 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -11.622 -9.171 -4.170 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -10.639 -7.186 0.222 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -12.677 -7.050 -3.520 1.00 0.00 H new ATOM 0 HZ PHE A 82 -12.190 -6.054 -1.320 1.00 0.00 H new ATOM 1200 N ASP A 83 -9.996 -13.804 -3.567 1.00 0.00 N ATOM 1201 CA ASP A 83 -9.263 -15.009 -3.941 1.00 0.00 C ATOM 1202 C ASP A 83 -7.759 -14.787 -3.826 1.00 0.00 C ATOM 1203 O ASP A 83 -7.026 -15.658 -3.357 1.00 0.00 O ATOM 1204 CB ASP A 83 -9.623 -15.427 -5.367 1.00 0.00 C ATOM 1205 CG ASP A 83 -8.699 -16.501 -5.906 1.00 0.00 C ATOM 1206 OD1 ASP A 83 -8.237 -17.343 -5.107 1.00 0.00 O ATOM 1207 OD2 ASP A 83 -8.436 -16.501 -7.127 1.00 0.00 O ATOM 0 H ASP A 83 -10.702 -13.512 -4.243 1.00 0.00 H new ATOM 0 HA ASP A 83 -9.547 -15.807 -3.254 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -10.650 -15.792 -5.387 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -9.581 -14.555 -6.020 1.00 0.00 H new ATOM 1212 N SER A 84 -7.303 -13.616 -4.260 1.00 0.00 N ATOM 1213 CA SER A 84 -5.885 -13.281 -4.210 1.00 0.00 C ATOM 1214 C SER A 84 -5.682 -11.769 -4.223 1.00 0.00 C ATOM 1215 O SER A 84 -6.634 -11.005 -4.389 1.00 0.00 O ATOM 1216 CB SER A 84 -5.148 -13.916 -5.392 1.00 0.00 C ATOM 1217 OG SER A 84 -5.005 -15.314 -5.211 1.00 0.00 O ATOM 0 H SER A 84 -7.896 -12.883 -4.650 1.00 0.00 H new ATOM 0 HA SER A 84 -5.476 -13.676 -3.280 1.00 0.00 H new ATOM 0 HB2 SER A 84 -5.695 -13.719 -6.314 1.00 0.00 H new ATOM 0 HB3 SER A 84 -4.165 -13.458 -5.501 1.00 0.00 H new ATOM 0 HG SER A 84 -5.574 -15.608 -4.470 1.00 0.00 H new ATOM 1223 N LEU A 85 -4.436 -11.344 -4.047 1.00 0.00 N ATOM 1224 CA LEU A 85 -4.106 -9.923 -4.038 1.00 0.00 C ATOM 1225 C LEU A 85 -4.440 -9.278 -5.380 1.00 0.00 C ATOM 1226 O LEU A 85 -4.795 -8.100 -5.444 1.00 0.00 O ATOM 1227 CB LEU A 85 -2.623 -9.725 -3.720 1.00 0.00 C ATOM 1228 CG LEU A 85 -2.267 -9.589 -2.239 1.00 0.00 C ATOM 1229 CD1 LEU A 85 -0.758 -9.593 -2.051 1.00 0.00 C ATOM 1230 CD2 LEU A 85 -2.876 -8.322 -1.658 1.00 0.00 C ATOM 0 H LEU A 85 -3.637 -11.963 -3.909 1.00 0.00 H new ATOM 0 HA LEU A 85 -4.704 -9.442 -3.265 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.068 -10.569 -4.131 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -2.276 -8.832 -4.240 1.00 0.00 H new ATOM 0 HG LEU A 85 -2.681 -10.444 -1.705 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.523 -9.495 -0.991 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.347 -10.529 -2.429 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.321 -8.758 -2.598 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.612 -8.242 -0.603 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.492 -7.455 -2.195 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -3.961 -8.360 -1.759 1.00 0.00 H new ATOM 1242 N THR A 86 -4.328 -10.059 -6.450 1.00 0.00 N ATOM 1243 CA THR A 86 -4.619 -9.564 -7.789 1.00 0.00 C ATOM 1244 C THR A 86 -6.072 -9.120 -7.909 1.00 0.00 C ATOM 1245 O THR A 86 -6.398 -8.233 -8.697 1.00 0.00 O ATOM 1246 CB THR A 86 -4.333 -10.636 -8.858 1.00 0.00 C ATOM 1247 OG1 THR A 86 -2.977 -11.085 -8.750 1.00 0.00 O ATOM 1248 CG2 THR A 86 -4.581 -10.088 -10.255 1.00 0.00 C ATOM 0 H THR A 86 -4.038 -11.036 -6.415 1.00 0.00 H new ATOM 0 HA THR A 86 -3.966 -8.708 -7.957 1.00 0.00 H new ATOM 0 HB THR A 86 -5.008 -11.475 -8.689 1.00 0.00 H new ATOM 0 HG1 THR A 86 -2.803 -11.767 -9.432 1.00 0.00 H new ATOM 0 HG21 THR A 86 -4.372 -10.863 -10.992 1.00 0.00 H new ATOM 0 HG22 THR A 86 -5.621 -9.774 -10.343 1.00 0.00 H new ATOM 0 HG23 THR A 86 -3.928 -9.234 -10.432 1.00 0.00 H new ATOM 1256 N ASP A 87 -6.942 -9.742 -7.121 1.00 0.00 N ATOM 1257 CA ASP A 87 -8.362 -9.410 -7.136 1.00 0.00 C ATOM 1258 C ASP A 87 -8.673 -8.306 -6.130 1.00 0.00 C ATOM 1259 O ASP A 87 -9.349 -7.329 -6.453 1.00 0.00 O ATOM 1260 CB ASP A 87 -9.201 -10.650 -6.827 1.00 0.00 C ATOM 1261 CG ASP A 87 -9.315 -11.584 -8.016 1.00 0.00 C ATOM 1262 OD1 ASP A 87 -9.344 -11.087 -9.160 1.00 0.00 O ATOM 1263 OD2 ASP A 87 -9.373 -12.812 -7.801 1.00 0.00 O ATOM 0 H ASP A 87 -6.689 -10.479 -6.463 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.615 -9.050 -8.133 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -8.756 -11.186 -5.989 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -10.199 -10.341 -6.514 1.00 0.00 H new ATOM 1268 N LEU A 88 -8.176 -8.469 -4.909 1.00 0.00 N ATOM 1269 CA LEU A 88 -8.401 -7.487 -3.853 1.00 0.00 C ATOM 1270 C LEU A 88 -7.901 -6.109 -4.277 1.00 0.00 C ATOM 1271 O LEU A 88 -8.495 -5.089 -3.929 1.00 0.00 O ATOM 1272 CB LEU A 88 -7.700 -7.923 -2.566 1.00 0.00 C ATOM 1273 CG LEU A 88 -7.695 -6.904 -1.426 1.00 0.00 C ATOM 1274 CD1 LEU A 88 -7.709 -7.610 -0.079 1.00 0.00 C ATOM 1275 CD2 LEU A 88 -6.488 -5.985 -1.537 1.00 0.00 C ATOM 0 H LEU A 88 -7.614 -9.272 -4.625 1.00 0.00 H new ATOM 0 HA LEU A 88 -9.474 -7.424 -3.671 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -8.176 -8.836 -2.208 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -6.667 -8.175 -2.806 1.00 0.00 H new ATOM 0 HG LEU A 88 -8.597 -6.296 -1.504 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.705 -6.869 0.720 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -8.606 -8.225 0.000 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -6.826 -8.243 0.009 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.501 -5.267 -0.717 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.574 -6.577 -1.486 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.523 -5.452 -2.487 1.00 0.00 H new ATOM 1287 N VAL A 89 -6.806 -6.088 -5.030 1.00 0.00 N ATOM 1288 CA VAL A 89 -6.229 -4.836 -5.503 1.00 0.00 C ATOM 1289 C VAL A 89 -6.964 -4.323 -6.737 1.00 0.00 C ATOM 1290 O VAL A 89 -7.222 -3.127 -6.865 1.00 0.00 O ATOM 1291 CB VAL A 89 -4.734 -4.999 -5.841 1.00 0.00 C ATOM 1292 CG1 VAL A 89 -4.160 -3.694 -6.370 1.00 0.00 C ATOM 1293 CG2 VAL A 89 -3.963 -5.474 -4.620 1.00 0.00 C ATOM 0 H VAL A 89 -6.301 -6.924 -5.325 1.00 0.00 H new ATOM 0 HA VAL A 89 -6.335 -4.113 -4.694 1.00 0.00 H new ATOM 0 HB VAL A 89 -4.635 -5.753 -6.622 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.104 -3.829 -6.603 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -4.696 -3.400 -7.272 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -4.268 -2.916 -5.614 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.909 -5.584 -4.875 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -4.067 -4.744 -3.817 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.359 -6.435 -4.291 1.00 0.00 H new ATOM 1303 N GLU A 90 -7.297 -5.238 -7.643 1.00 0.00 N ATOM 1304 CA GLU A 90 -8.003 -4.877 -8.867 1.00 0.00 C ATOM 1305 C GLU A 90 -9.376 -4.292 -8.552 1.00 0.00 C ATOM 1306 O GLU A 90 -9.940 -3.537 -9.345 1.00 0.00 O ATOM 1307 CB GLU A 90 -8.154 -6.101 -9.774 1.00 0.00 C ATOM 1308 CG GLU A 90 -6.986 -6.299 -10.726 1.00 0.00 C ATOM 1309 CD GLU A 90 -7.149 -5.524 -12.019 1.00 0.00 C ATOM 1310 OE1 GLU A 90 -6.724 -4.351 -12.065 1.00 0.00 O ATOM 1311 OE2 GLU A 90 -7.701 -6.092 -12.985 1.00 0.00 O ATOM 0 H GLU A 90 -7.090 -6.233 -7.552 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.415 -4.119 -9.385 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -8.262 -6.991 -9.154 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -9.072 -6.003 -10.354 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -6.064 -5.988 -10.234 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -6.883 -7.360 -10.953 1.00 0.00 H new ATOM 1318 N HIS A 91 -9.911 -4.646 -7.387 1.00 0.00 N ATOM 1319 CA HIS A 91 -11.218 -4.157 -6.965 1.00 0.00 C ATOM 1320 C HIS A 91 -11.117 -2.734 -6.426 1.00 0.00 C ATOM 1321 O HIS A 91 -12.052 -1.943 -6.553 1.00 0.00 O ATOM 1322 CB HIS A 91 -11.812 -5.078 -5.899 1.00 0.00 C ATOM 1323 CG HIS A 91 -13.168 -4.652 -5.427 1.00 0.00 C ATOM 1324 ND1 HIS A 91 -13.361 -3.673 -4.477 1.00 0.00 N ATOM 1325 CD2 HIS A 91 -14.403 -5.079 -5.783 1.00 0.00 C ATOM 1326 CE1 HIS A 91 -14.656 -3.516 -4.266 1.00 0.00 C ATOM 1327 NE2 HIS A 91 -15.311 -4.357 -5.046 1.00 0.00 N ATOM 0 H HIS A 91 -9.459 -5.270 -6.719 1.00 0.00 H new ATOM 0 HA HIS A 91 -11.874 -4.152 -7.835 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -11.877 -6.089 -6.300 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -11.135 -5.116 -5.046 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -14.632 -5.844 -6.510 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -15.103 -2.818 -3.573 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -16.325 -4.455 -5.094 1.00 0.00 H new ATOM 1336 N PHE A 92 -9.978 -2.414 -5.821 1.00 0.00 N ATOM 1337 CA PHE A 92 -9.755 -1.087 -5.260 1.00 0.00 C ATOM 1338 C PHE A 92 -9.193 -0.138 -6.315 1.00 0.00 C ATOM 1339 O PHE A 92 -9.326 1.081 -6.204 1.00 0.00 O ATOM 1340 CB PHE A 92 -8.800 -1.167 -4.069 1.00 0.00 C ATOM 1341 CG PHE A 92 -9.408 -1.810 -2.854 1.00 0.00 C ATOM 1342 CD1 PHE A 92 -10.639 -1.391 -2.376 1.00 0.00 C ATOM 1343 CD2 PHE A 92 -8.748 -2.833 -2.192 1.00 0.00 C ATOM 1344 CE1 PHE A 92 -11.201 -1.982 -1.260 1.00 0.00 C ATOM 1345 CE2 PHE A 92 -9.306 -3.427 -1.076 1.00 0.00 C ATOM 1346 CZ PHE A 92 -10.533 -3.000 -0.609 1.00 0.00 C ATOM 0 H PHE A 92 -9.194 -3.057 -5.707 1.00 0.00 H new ATOM 0 HA PHE A 92 -10.715 -0.698 -4.921 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -7.913 -1.729 -4.362 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -8.469 -0.161 -3.811 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -11.165 -0.594 -2.881 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -7.787 -3.170 -2.552 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -12.162 -1.648 -0.898 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -8.783 -4.225 -0.570 1.00 0.00 H new ATOM 0 HZ PHE A 92 -10.970 -3.462 0.264 1.00 0.00 H new ATOM 1356 N LYS A 93 -8.563 -0.706 -7.338 1.00 0.00 N ATOM 1357 CA LYS A 93 -7.980 0.086 -8.413 1.00 0.00 C ATOM 1358 C LYS A 93 -9.065 0.798 -9.215 1.00 0.00 C ATOM 1359 O LYS A 93 -8.810 1.818 -9.857 1.00 0.00 O ATOM 1360 CB LYS A 93 -7.149 -0.805 -9.339 1.00 0.00 C ATOM 1361 CG LYS A 93 -5.798 -1.188 -8.763 1.00 0.00 C ATOM 1362 CD LYS A 93 -5.102 -2.234 -9.618 1.00 0.00 C ATOM 1363 CE LYS A 93 -4.627 -1.647 -10.938 1.00 0.00 C ATOM 1364 NZ LYS A 93 -3.518 -0.673 -10.745 1.00 0.00 N ATOM 0 H LYS A 93 -8.443 -1.713 -7.445 1.00 0.00 H new ATOM 0 HA LYS A 93 -7.331 0.838 -7.964 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -7.712 -1.713 -9.557 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -6.997 -0.288 -10.287 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -5.169 -0.301 -8.688 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -5.929 -1.572 -7.751 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -4.251 -2.644 -9.073 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -5.785 -3.061 -9.811 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -4.294 -2.451 -11.594 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -5.461 -1.153 -11.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -3.877 0.293 -10.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -3.137 -0.767 -9.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -2.764 -0.864 -11.436 1.00 0.00 H new ATOM 1378 N LYS A 94 -10.278 0.255 -9.173 1.00 0.00 N ATOM 1379 CA LYS A 94 -11.403 0.838 -9.893 1.00 0.00 C ATOM 1380 C LYS A 94 -12.314 1.610 -8.944 1.00 0.00 C ATOM 1381 O LYS A 94 -12.862 2.653 -9.303 1.00 0.00 O ATOM 1382 CB LYS A 94 -12.201 -0.255 -10.607 1.00 0.00 C ATOM 1383 CG LYS A 94 -12.744 -1.320 -9.671 1.00 0.00 C ATOM 1384 CD LYS A 94 -13.922 -2.056 -10.287 1.00 0.00 C ATOM 1385 CE LYS A 94 -14.322 -3.265 -9.456 1.00 0.00 C ATOM 1386 NZ LYS A 94 -15.315 -2.912 -8.404 1.00 0.00 N ATOM 0 H LYS A 94 -10.506 -0.589 -8.647 1.00 0.00 H new ATOM 0 HA LYS A 94 -11.007 1.532 -10.634 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -13.032 0.204 -11.142 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -11.564 -0.730 -11.354 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -11.954 -2.032 -9.431 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -13.052 -0.858 -8.733 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -14.770 -1.377 -10.375 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -13.664 -2.377 -11.296 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -14.741 -4.031 -10.108 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -13.435 -3.694 -8.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -16.046 -3.650 -8.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -14.835 -2.839 -7.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -15.758 -2.000 -8.637 1.00 0.00 H new ATOM 1400 N THR A 95 -12.473 1.091 -7.730 1.00 0.00 N ATOM 1401 CA THR A 95 -13.317 1.731 -6.730 1.00 0.00 C ATOM 1402 C THR A 95 -12.493 2.607 -5.792 1.00 0.00 C ATOM 1403 O THR A 95 -12.830 3.765 -5.551 1.00 0.00 O ATOM 1404 CB THR A 95 -14.088 0.690 -5.896 1.00 0.00 C ATOM 1405 OG1 THR A 95 -13.171 -0.104 -5.135 1.00 0.00 O ATOM 1406 CG2 THR A 95 -14.924 -0.211 -6.793 1.00 0.00 C ATOM 0 H THR A 95 -12.028 0.229 -7.416 1.00 0.00 H new ATOM 0 HA THR A 95 -14.030 2.353 -7.271 1.00 0.00 H new ATOM 0 HB THR A 95 -14.756 1.222 -5.219 1.00 0.00 H new ATOM 0 HG1 THR A 95 -13.043 -0.969 -5.577 1.00 0.00 H new ATOM 0 HG21 THR A 95 -15.459 -0.938 -6.182 1.00 0.00 H new ATOM 0 HG22 THR A 95 -15.641 0.393 -7.349 1.00 0.00 H new ATOM 0 HG23 THR A 95 -14.272 -0.735 -7.492 1.00 0.00 H new ATOM 1414 N GLY A 96 -11.409 2.044 -5.266 1.00 0.00 N ATOM 1415 CA GLY A 96 -10.552 2.788 -4.360 1.00 0.00 C ATOM 1416 C GLY A 96 -10.723 2.360 -2.917 1.00 0.00 C ATOM 1417 O GLY A 96 -11.658 1.629 -2.585 1.00 0.00 O ATOM 0 H GLY A 96 -11.109 1.087 -5.451 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -9.512 2.652 -4.655 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -10.772 3.852 -4.449 1.00 0.00 H new ATOM 1421 N ILE A 97 -9.819 2.813 -2.055 1.00 0.00 N ATOM 1422 CA ILE A 97 -9.873 2.471 -0.640 1.00 0.00 C ATOM 1423 C ILE A 97 -10.203 3.694 0.210 1.00 0.00 C ATOM 1424 O ILE A 97 -9.587 4.749 0.060 1.00 0.00 O ATOM 1425 CB ILE A 97 -8.544 1.866 -0.154 1.00 0.00 C ATOM 1426 CG1 ILE A 97 -8.265 0.546 -0.875 1.00 0.00 C ATOM 1427 CG2 ILE A 97 -8.575 1.656 1.352 1.00 0.00 C ATOM 1428 CD1 ILE A 97 -6.856 0.033 -0.674 1.00 0.00 C ATOM 0 H ILE A 97 -9.040 3.418 -2.313 1.00 0.00 H new ATOM 0 HA ILE A 97 -10.663 1.728 -0.526 1.00 0.00 H new ATOM 0 HB ILE A 97 -7.739 2.563 -0.387 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -8.971 -0.207 -0.523 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -8.446 0.679 -1.942 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -7.628 1.228 1.679 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -8.732 2.613 1.850 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -9.388 0.977 1.608 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -6.730 -0.906 -1.214 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -6.144 0.767 -1.052 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -6.677 -0.132 0.388 1.00 0.00 H new ATOM 1440 N GLU A 98 -11.177 3.544 1.101 1.00 0.00 N ATOM 1441 CA GLU A 98 -11.587 4.638 1.975 1.00 0.00 C ATOM 1442 C GLU A 98 -11.108 4.401 3.404 1.00 0.00 C ATOM 1443 O GLU A 98 -11.466 3.406 4.032 1.00 0.00 O ATOM 1444 CB GLU A 98 -13.109 4.793 1.954 1.00 0.00 C ATOM 1445 CG GLU A 98 -13.609 5.991 2.744 1.00 0.00 C ATOM 1446 CD GLU A 98 -15.065 5.858 3.147 1.00 0.00 C ATOM 1447 OE1 GLU A 98 -15.896 5.535 2.271 1.00 0.00 O ATOM 1448 OE2 GLU A 98 -15.374 6.076 4.337 1.00 0.00 O ATOM 0 H GLU A 98 -11.697 2.677 1.237 1.00 0.00 H new ATOM 0 HA GLU A 98 -11.130 5.556 1.605 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -13.442 4.885 0.920 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -13.564 3.888 2.356 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -12.998 6.112 3.638 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -13.482 6.894 2.147 1.00 0.00 H new ATOM 1455 N GLU A 99 -10.296 5.324 3.910 1.00 0.00 N ATOM 1456 CA GLU A 99 -9.766 5.215 5.265 1.00 0.00 C ATOM 1457 C GLU A 99 -10.847 5.522 6.297 1.00 0.00 C ATOM 1458 O GLU A 99 -11.706 6.376 6.077 1.00 0.00 O ATOM 1459 CB GLU A 99 -8.582 6.166 5.451 1.00 0.00 C ATOM 1460 CG GLU A 99 -7.250 5.569 5.028 1.00 0.00 C ATOM 1461 CD GLU A 99 -6.165 6.616 4.873 1.00 0.00 C ATOM 1462 OE1 GLU A 99 -6.061 7.497 5.753 1.00 0.00 O ATOM 1463 OE2 GLU A 99 -5.420 6.555 3.874 1.00 0.00 O ATOM 0 H GLU A 99 -9.991 6.155 3.403 1.00 0.00 H new ATOM 0 HA GLU A 99 -9.426 4.190 5.414 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -8.763 7.074 4.876 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -8.523 6.459 6.499 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -6.935 4.832 5.767 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -7.377 5.040 4.084 1.00 0.00 H new ATOM 1470 N ALA A 100 -10.797 4.819 7.424 1.00 0.00 N ATOM 1471 CA ALA A 100 -11.770 5.017 8.492 1.00 0.00 C ATOM 1472 C ALA A 100 -12.034 6.501 8.725 1.00 0.00 C ATOM 1473 O ALA A 100 -13.139 6.893 9.102 1.00 0.00 O ATOM 1474 CB ALA A 100 -11.287 4.357 9.774 1.00 0.00 C ATOM 0 H ALA A 100 -10.093 4.107 7.621 1.00 0.00 H new ATOM 0 HA ALA A 100 -12.707 4.551 8.188 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -12.023 4.513 10.563 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -11.156 3.288 9.606 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -10.336 4.797 10.073 1.00 0.00 H new ATOM 1480 N SER A 101 -11.013 7.322 8.500 1.00 0.00 N ATOM 1481 CA SER A 101 -11.134 8.763 8.691 1.00 0.00 C ATOM 1482 C SER A 101 -11.927 9.396 7.552 1.00 0.00 C ATOM 1483 O SER A 101 -12.764 10.271 7.774 1.00 0.00 O ATOM 1484 CB SER A 101 -9.749 9.404 8.782 1.00 0.00 C ATOM 1485 OG SER A 101 -9.142 9.134 10.034 1.00 0.00 O ATOM 0 H SER A 101 -10.093 7.014 8.185 1.00 0.00 H new ATOM 0 HA SER A 101 -11.669 8.938 9.624 1.00 0.00 H new ATOM 0 HB2 SER A 101 -9.117 9.026 7.979 1.00 0.00 H new ATOM 0 HB3 SER A 101 -9.834 10.481 8.640 1.00 0.00 H new ATOM 0 HG SER A 101 -8.257 9.554 10.066 1.00 0.00 H new ATOM 1491 N GLY A 102 -11.657 8.948 6.330 1.00 0.00 N ATOM 1492 CA GLY A 102 -12.352 9.483 5.173 1.00 0.00 C ATOM 1493 C GLY A 102 -11.479 9.513 3.935 1.00 0.00 C ATOM 1494 O GLY A 102 -11.968 9.347 2.818 1.00 0.00 O ATOM 0 H GLY A 102 -10.970 8.224 6.120 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -13.238 8.880 4.974 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -12.697 10.493 5.395 1.00 0.00 H new ATOM 1498 N ALA A 103 -10.182 9.727 4.132 1.00 0.00 N ATOM 1499 CA ALA A 103 -9.239 9.779 3.022 1.00 0.00 C ATOM 1500 C ALA A 103 -9.550 8.703 1.987 1.00 0.00 C ATOM 1501 O ALA A 103 -9.991 7.606 2.331 1.00 0.00 O ATOM 1502 CB ALA A 103 -7.814 9.626 3.533 1.00 0.00 C ATOM 0 H ALA A 103 -9.761 9.867 5.050 1.00 0.00 H new ATOM 0 HA ALA A 103 -9.338 10.751 2.538 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -7.120 9.667 2.693 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -7.589 10.434 4.230 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -7.711 8.668 4.043 1.00 0.00 H new ATOM 1508 N PHE A 104 -9.318 9.023 0.718 1.00 0.00 N ATOM 1509 CA PHE A 104 -9.575 8.084 -0.367 1.00 0.00 C ATOM 1510 C PHE A 104 -8.287 7.752 -1.115 1.00 0.00 C ATOM 1511 O PHE A 104 -7.752 8.581 -1.852 1.00 0.00 O ATOM 1512 CB PHE A 104 -10.607 8.663 -1.338 1.00 0.00 C ATOM 1513 CG PHE A 104 -12.028 8.374 -0.944 1.00 0.00 C ATOM 1514 CD1 PHE A 104 -12.703 9.214 -0.073 1.00 0.00 C ATOM 1515 CD2 PHE A 104 -12.686 7.264 -1.445 1.00 0.00 C ATOM 1516 CE1 PHE A 104 -14.011 8.952 0.290 1.00 0.00 C ATOM 1517 CE2 PHE A 104 -13.994 6.997 -1.086 1.00 0.00 C ATOM 1518 CZ PHE A 104 -14.656 7.841 -0.216 1.00 0.00 C ATOM 0 H PHE A 104 -8.952 9.926 0.416 1.00 0.00 H new ATOM 0 HA PHE A 104 -9.970 7.165 0.067 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -10.468 9.742 -1.402 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -10.425 8.258 -2.334 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -12.202 10.083 0.327 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -12.172 6.599 -2.124 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -14.527 9.615 0.968 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -14.498 6.129 -1.485 1.00 0.00 H new ATOM 0 HZ PHE A 104 -15.677 7.632 0.068 1.00 0.00 H new ATOM 1528 N VAL A 105 -7.795 6.532 -0.921 1.00 0.00 N ATOM 1529 CA VAL A 105 -6.571 6.088 -1.578 1.00 0.00 C ATOM 1530 C VAL A 105 -6.876 5.407 -2.907 1.00 0.00 C ATOM 1531 O VAL A 105 -7.508 4.352 -2.945 1.00 0.00 O ATOM 1532 CB VAL A 105 -5.777 5.116 -0.685 1.00 0.00 C ATOM 1533 CG1 VAL A 105 -4.502 4.669 -1.384 1.00 0.00 C ATOM 1534 CG2 VAL A 105 -5.461 5.762 0.656 1.00 0.00 C ATOM 0 H VAL A 105 -8.225 5.834 -0.314 1.00 0.00 H new ATOM 0 HA VAL A 105 -5.968 6.978 -1.760 1.00 0.00 H new ATOM 0 HB VAL A 105 -6.391 4.234 -0.502 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -3.954 3.983 -0.738 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.756 4.165 -2.316 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -3.881 5.539 -1.599 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -4.900 5.061 1.274 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -4.866 6.661 0.496 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -6.390 6.027 1.160 1.00 0.00 H new ATOM 1544 N TYR A 106 -6.421 6.018 -3.995 1.00 0.00 N ATOM 1545 CA TYR A 106 -6.646 5.471 -5.329 1.00 0.00 C ATOM 1546 C TYR A 106 -5.382 4.809 -5.867 1.00 0.00 C ATOM 1547 O TYR A 106 -4.291 5.377 -5.795 1.00 0.00 O ATOM 1548 CB TYR A 106 -7.105 6.574 -6.284 1.00 0.00 C ATOM 1549 CG TYR A 106 -8.305 7.346 -5.786 1.00 0.00 C ATOM 1550 CD1 TYR A 106 -9.304 6.719 -5.052 1.00 0.00 C ATOM 1551 CD2 TYR A 106 -8.440 8.704 -6.049 1.00 0.00 C ATOM 1552 CE1 TYR A 106 -10.403 7.421 -4.595 1.00 0.00 C ATOM 1553 CE2 TYR A 106 -9.534 9.415 -5.595 1.00 0.00 C ATOM 1554 CZ TYR A 106 -10.513 8.769 -4.870 1.00 0.00 C ATOM 1555 OH TYR A 106 -11.606 9.472 -4.415 1.00 0.00 O ATOM 0 H TYR A 106 -5.895 6.892 -3.980 1.00 0.00 H new ATOM 0 HA TYR A 106 -7.427 4.714 -5.257 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -6.280 7.267 -6.448 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -7.345 6.130 -7.250 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -9.220 5.664 -4.835 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -7.676 9.212 -6.618 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -11.171 6.918 -4.026 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -9.622 10.470 -5.807 1.00 0.00 H new ATOM 0 HH TYR A 106 -11.531 10.409 -4.692 1.00 0.00 H new ATOM 1565 N LEU A 107 -5.536 3.605 -6.406 1.00 0.00 N ATOM 1566 CA LEU A 107 -4.407 2.863 -6.959 1.00 0.00 C ATOM 1567 C LEU A 107 -4.517 2.756 -8.477 1.00 0.00 C ATOM 1568 O LEU A 107 -5.356 2.021 -8.998 1.00 0.00 O ATOM 1569 CB LEU A 107 -4.339 1.466 -6.342 1.00 0.00 C ATOM 1570 CG LEU A 107 -4.810 1.349 -4.891 1.00 0.00 C ATOM 1571 CD1 LEU A 107 -6.297 1.036 -4.837 1.00 0.00 C ATOM 1572 CD2 LEU A 107 -4.012 0.282 -4.155 1.00 0.00 C ATOM 0 H LEU A 107 -6.431 3.121 -6.472 1.00 0.00 H new ATOM 0 HA LEU A 107 -3.493 3.406 -6.717 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -4.938 0.791 -6.953 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -3.308 1.116 -6.398 1.00 0.00 H new ATOM 0 HG LEU A 107 -4.642 2.306 -4.396 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -6.615 0.956 -3.797 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -6.855 1.834 -5.327 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -6.489 0.093 -5.348 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -4.361 0.213 -3.125 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -4.148 -0.680 -4.649 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -2.955 0.548 -4.163 1.00 0.00 H new ATOM 1584 N ARG A 108 -3.663 3.492 -9.180 1.00 0.00 N ATOM 1585 CA ARG A 108 -3.663 3.479 -10.638 1.00 0.00 C ATOM 1586 C ARG A 108 -2.286 3.101 -11.178 1.00 0.00 C ATOM 1587 O ARG A 108 -2.171 2.532 -12.263 1.00 0.00 O ATOM 1588 CB ARG A 108 -4.077 4.848 -11.181 1.00 0.00 C ATOM 1589 CG ARG A 108 -5.082 5.574 -10.302 1.00 0.00 C ATOM 1590 CD ARG A 108 -5.654 6.797 -11.002 1.00 0.00 C ATOM 1591 NE ARG A 108 -6.088 6.495 -12.363 1.00 0.00 N ATOM 1592 CZ ARG A 108 -7.204 5.835 -12.649 1.00 0.00 C ATOM 1593 NH1 ARG A 108 -7.995 5.409 -11.674 1.00 0.00 N ATOM 1594 NH2 ARG A 108 -7.531 5.599 -13.914 1.00 0.00 N ATOM 0 H ARG A 108 -2.962 4.105 -8.764 1.00 0.00 H new ATOM 0 HA ARG A 108 -4.383 2.731 -10.970 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -3.188 5.469 -11.291 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -4.503 4.721 -12.176 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -5.891 4.894 -10.035 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -4.601 5.877 -9.372 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -6.498 7.181 -10.429 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -4.901 7.585 -11.028 1.00 0.00 H new ATOM 0 HE ARG A 108 -5.502 6.808 -13.137 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -7.747 5.588 -10.701 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -8.852 4.902 -11.897 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -6.925 5.925 -14.667 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -8.388 5.092 -14.133 1.00 0.00 H new ATOM 1608 N GLN A 109 -1.248 3.422 -10.414 1.00 0.00 N ATOM 1609 CA GLN A 109 0.120 3.115 -10.816 1.00 0.00 C ATOM 1610 C GLN A 109 0.686 1.963 -9.992 1.00 0.00 C ATOM 1611 O GLN A 109 1.176 2.146 -8.879 1.00 0.00 O ATOM 1612 CB GLN A 109 1.007 4.352 -10.662 1.00 0.00 C ATOM 1613 CG GLN A 109 1.065 5.218 -11.910 1.00 0.00 C ATOM 1614 CD GLN A 109 1.271 6.687 -11.592 1.00 0.00 C ATOM 1615 OE1 GLN A 109 2.153 7.338 -12.152 1.00 0.00 O ATOM 1616 NE2 GLN A 109 0.455 7.217 -10.688 1.00 0.00 N ATOM 0 H GLN A 109 -1.327 3.894 -9.513 1.00 0.00 H new ATOM 0 HA GLN A 109 0.105 2.814 -11.863 1.00 0.00 H new ATOM 0 HB2 GLN A 109 0.638 4.952 -9.830 1.00 0.00 H new ATOM 0 HB3 GLN A 109 2.017 4.035 -10.403 1.00 0.00 H new ATOM 0 HG2 GLN A 109 1.876 4.872 -12.551 1.00 0.00 H new ATOM 0 HG3 GLN A 109 0.140 5.098 -12.474 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -0.263 6.641 -10.248 1.00 0.00 H new ATOM 0 HE22 GLN A 109 0.546 8.201 -10.433 1.00 0.00 H new ATOM 1625 N PRO A 110 0.616 0.746 -10.551 1.00 0.00 N ATOM 1626 CA PRO A 110 1.117 -0.460 -9.887 1.00 0.00 C ATOM 1627 C PRO A 110 2.639 -0.482 -9.794 1.00 0.00 C ATOM 1628 O PRO A 110 3.323 -0.845 -10.750 1.00 0.00 O ATOM 1629 CB PRO A 110 0.620 -1.595 -10.787 1.00 0.00 C ATOM 1630 CG PRO A 110 0.459 -0.969 -12.129 1.00 0.00 C ATOM 1631 CD PRO A 110 0.045 0.454 -11.877 1.00 0.00 C ATOM 0 HA PRO A 110 0.768 -0.531 -8.857 1.00 0.00 H new ATOM 0 HB2 PRO A 110 1.334 -2.418 -10.817 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -0.323 -2.004 -10.425 1.00 0.00 H new ATOM 0 HG2 PRO A 110 1.391 -1.010 -12.693 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -0.293 -1.495 -12.717 1.00 0.00 H new ATOM 0 HD2 PRO A 110 0.436 1.127 -12.640 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -1.039 0.564 -11.880 1.00 0.00 H new ATOM 1639 N TYR A 111 3.161 -0.093 -8.637 1.00 0.00 N ATOM 1640 CA TYR A 111 4.603 -0.065 -8.420 1.00 0.00 C ATOM 1641 C TYR A 111 5.197 -1.466 -8.528 1.00 0.00 C ATOM 1642 O TYR A 111 4.738 -2.401 -7.871 1.00 0.00 O ATOM 1643 CB TYR A 111 4.923 0.532 -7.048 1.00 0.00 C ATOM 1644 CG TYR A 111 6.361 0.973 -6.900 1.00 0.00 C ATOM 1645 CD1 TYR A 111 7.397 0.047 -6.918 1.00 0.00 C ATOM 1646 CD2 TYR A 111 6.684 2.314 -6.741 1.00 0.00 C ATOM 1647 CE1 TYR A 111 8.713 0.446 -6.783 1.00 0.00 C ATOM 1648 CE2 TYR A 111 7.997 2.722 -6.607 1.00 0.00 C ATOM 1649 CZ TYR A 111 9.008 1.785 -6.627 1.00 0.00 C ATOM 1650 OH TYR A 111 10.317 2.185 -6.493 1.00 0.00 O ATOM 0 H TYR A 111 2.608 0.207 -7.834 1.00 0.00 H new ATOM 0 HA TYR A 111 5.049 0.560 -9.194 1.00 0.00 H new ATOM 0 HB2 TYR A 111 4.270 1.387 -6.872 1.00 0.00 H new ATOM 0 HB3 TYR A 111 4.697 -0.206 -6.278 1.00 0.00 H new ATOM 0 HD1 TYR A 111 7.170 -1.002 -7.040 1.00 0.00 H new ATOM 0 HD2 TYR A 111 5.895 3.051 -6.722 1.00 0.00 H new ATOM 0 HE1 TYR A 111 9.507 -0.286 -6.799 1.00 0.00 H new ATOM 0 HE2 TYR A 111 8.230 3.770 -6.487 1.00 0.00 H new ATOM 0 HH TYR A 111 10.353 3.159 -6.393 1.00 0.00 H new ATOM 1660 N TYR A 112 6.220 -1.605 -9.363 1.00 0.00 N ATOM 1661 CA TYR A 112 6.877 -2.892 -9.561 1.00 0.00 C ATOM 1662 C TYR A 112 8.194 -2.955 -8.793 1.00 0.00 C ATOM 1663 O TYR A 112 8.348 -3.748 -7.865 1.00 0.00 O ATOM 1664 CB TYR A 112 7.130 -3.137 -11.049 1.00 0.00 C ATOM 1665 CG TYR A 112 5.989 -2.693 -11.938 1.00 0.00 C ATOM 1666 CD1 TYR A 112 5.815 -1.354 -12.261 1.00 0.00 C ATOM 1667 CD2 TYR A 112 5.086 -3.615 -12.454 1.00 0.00 C ATOM 1668 CE1 TYR A 112 4.773 -0.944 -13.071 1.00 0.00 C ATOM 1669 CE2 TYR A 112 4.043 -3.215 -13.265 1.00 0.00 C ATOM 1670 CZ TYR A 112 3.891 -1.878 -13.572 1.00 0.00 C ATOM 1671 OH TYR A 112 2.853 -1.475 -14.380 1.00 0.00 O ATOM 0 H TYR A 112 6.613 -0.842 -9.914 1.00 0.00 H new ATOM 0 HA TYR A 112 6.216 -3.670 -9.179 1.00 0.00 H new ATOM 0 HB2 TYR A 112 8.037 -2.611 -11.346 1.00 0.00 H new ATOM 0 HB3 TYR A 112 7.311 -4.200 -11.208 1.00 0.00 H new ATOM 0 HD1 TYR A 112 6.506 -0.620 -11.873 1.00 0.00 H new ATOM 0 HD2 TYR A 112 5.202 -4.662 -12.216 1.00 0.00 H new ATOM 0 HE1 TYR A 112 4.650 0.102 -13.310 1.00 0.00 H new ATOM 0 HE2 TYR A 112 3.350 -3.944 -13.657 1.00 0.00 H new ATOM 0 HH TYR A 112 2.325 -2.256 -14.649 1.00 0.00 H new ATOM 1871 N ALA B 9 -2.928 2.811 8.136 1.00 0.00 N ATOM 1872 CA ALA B 9 -4.124 3.625 7.962 1.00 0.00 C ATOM 1873 C ALA B 9 -5.378 2.757 7.927 1.00 0.00 C ATOM 1874 O ALA B 9 -5.725 2.196 6.888 1.00 0.00 O ATOM 1875 CB ALA B 9 -4.018 4.454 6.690 1.00 0.00 C ATOM 0 HA ALA B 9 -4.203 4.298 8.816 1.00 0.00 H new ATOM 0 HB1 ALA B 9 -4.918 5.057 6.573 1.00 0.00 H new ATOM 0 HB2 ALA B 9 -3.149 5.108 6.754 1.00 0.00 H new ATOM 0 HB3 ALA B 9 -3.911 3.791 5.831 1.00 0.00 H new ATOM 1881 N GLU B 10 -6.052 2.654 9.067 1.00 0.00 N ATOM 1882 CA GLU B 10 -7.267 1.853 9.165 1.00 0.00 C ATOM 1883 C GLU B 10 -8.240 2.200 8.042 1.00 0.00 C ATOM 1884 O GLU B 10 -8.237 3.318 7.526 1.00 0.00 O ATOM 1885 CB GLU B 10 -7.939 2.071 10.523 1.00 0.00 C ATOM 1886 CG GLU B 10 -8.095 3.535 10.897 1.00 0.00 C ATOM 1887 CD GLU B 10 -8.103 3.756 12.397 1.00 0.00 C ATOM 1888 OE1 GLU B 10 -8.760 2.968 13.110 1.00 0.00 O ATOM 1889 OE2 GLU B 10 -7.454 4.718 12.858 1.00 0.00 O ATOM 0 H GLU B 10 -5.778 3.114 9.935 1.00 0.00 H new ATOM 0 HA GLU B 10 -6.989 0.803 9.069 1.00 0.00 H new ATOM 0 HB2 GLU B 10 -8.922 1.601 10.512 1.00 0.00 H new ATOM 0 HB3 GLU B 10 -7.354 1.568 11.293 1.00 0.00 H new ATOM 0 HG2 GLU B 10 -7.281 4.108 10.453 1.00 0.00 H new ATOM 0 HG3 GLU B 10 -9.023 3.918 10.472 1.00 0.00 H new ATOM 1896 N LEU B 11 -9.071 1.233 7.669 1.00 0.00 N ATOM 1897 CA LEU B 11 -10.049 1.435 6.606 1.00 0.00 C ATOM 1898 C LEU B 11 -11.472 1.325 7.147 1.00 0.00 C ATOM 1899 O LEU B 11 -11.678 0.979 8.309 1.00 0.00 O ATOM 1900 CB LEU B 11 -9.837 0.412 5.489 1.00 0.00 C ATOM 1901 CG LEU B 11 -8.434 0.362 4.882 1.00 0.00 C ATOM 1902 CD1 LEU B 11 -8.375 -0.656 3.754 1.00 0.00 C ATOM 1903 CD2 LEU B 11 -8.020 1.739 4.382 1.00 0.00 C ATOM 0 H LEU B 11 -9.087 0.302 8.086 1.00 0.00 H new ATOM 0 HA LEU B 11 -9.909 2.438 6.203 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -10.078 -0.577 5.879 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -10.549 0.622 4.691 1.00 0.00 H new ATOM 0 HG LEU B 11 -7.734 0.053 5.659 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -7.369 -0.677 3.335 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -8.627 -1.643 4.141 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -9.086 -0.379 2.976 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -7.019 1.685 3.953 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -8.723 2.076 3.620 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -8.021 2.443 5.214 1.00 0.00 H new ATOM 1915 N ASN B 12 -12.448 1.620 6.295 1.00 0.00 N ATOM 1916 CA ASN B 12 -13.851 1.552 6.688 1.00 0.00 C ATOM 1917 C ASN B 12 -14.547 0.371 6.020 1.00 0.00 C ATOM 1918 O ASN B 12 -14.887 0.423 4.836 1.00 0.00 O ATOM 1919 CB ASN B 12 -14.568 2.854 6.321 1.00 0.00 C ATOM 1920 CG ASN B 12 -15.839 3.059 7.123 1.00 0.00 C ATOM 1921 OD1 ASN B 12 -16.877 2.470 6.822 1.00 0.00 O ATOM 1922 ND2 ASN B 12 -15.762 3.899 8.148 1.00 0.00 N ATOM 0 H ASN B 12 -12.294 1.908 5.329 1.00 0.00 H new ATOM 0 HA ASN B 12 -13.893 1.412 7.768 1.00 0.00 H new ATOM 0 HB2 ASN B 12 -13.896 3.696 6.489 1.00 0.00 H new ATOM 0 HB3 ASN B 12 -14.809 2.846 5.258 1.00 0.00 H new ATOM 0 HD21 ASN B 12 -16.585 4.078 8.723 1.00 0.00 H new ATOM 0 HD22 ASN B 12 -14.880 4.365 8.360 1.00 0.00 H new