USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=24 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 X(o=0.92,f=0.92) USER MOD Set 1.2: A 95 THR OG1 : rot -76:sc= 0.917 USER MOD Set 2.1: A 46 SER OG : rot 84:sc= -0.0301 USER MOD Set 2.2: A 64 HIS : no HD1:sc= -0.25 K(o=-0.28,f=-1.4) USER MOD Single : A 9 TYR OH : rot -110:sc= 1.23 USER MOD Single : A 10 HIS : no HD1:sc= -3.03 K(o=-3,f=-4.8!) USER MOD Single : A 12 HIS : no HD1:sc= -0.0247 X(o=-0.025,f=-0.0091) USER MOD Single : A 13 MET CE :methyl 175:sc= -2.21 (180deg=-2.42!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc=-0.000637 X(o=-0.00064,f=-0.00064) USER MOD Single : A 20 THR OG1 : rot 92:sc= 0.6 USER MOD Single : A 23 GLN : amide:sc= -0.776! C(o=-0.78!,f=-2.7!) USER MOD Single : A 25 LYS NZ :NH3+ -167:sc= -0.257 (180deg=-0.393) USER MOD Single : A 30 THR OG1 : rot 128:sc= 0.819 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot -70:sc= 0.62 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc=-0.00075 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 163:sc= -0.743 (180deg=-1.46!) USER MOD Single : A 69 CYS SG : rot 35:sc= 0.308 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -139:sc= 1.19 USER MOD Single : A 81 THR OG1 : rot 50:sc= 0.064 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -138:sc= -0.488 (180deg=-2.29!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -5.95! C(o=-6!,f=-8!) USER MOD Single : A 111 TYR OH : rot 30:sc= -0.568 USER MOD Single : A 112 TYR OH : rot 180:sc= -0.674 USER MOD Single : B 12 ASN : amide:sc= -0.551 K(o=-0.55,f=-3!) USER MOD ----------------------------------------------------------------- ATOM 66 N TRP A 8 3.279 -5.778 -10.028 1.00 0.00 N ATOM 67 CA TRP A 8 3.402 -4.756 -8.993 1.00 0.00 C ATOM 68 C TRP A 8 3.950 -5.352 -7.702 1.00 0.00 C ATOM 69 O TRP A 8 4.282 -4.627 -6.763 1.00 0.00 O ATOM 70 CB TRP A 8 2.045 -4.101 -8.731 1.00 0.00 C ATOM 71 CG TRP A 8 0.887 -5.027 -8.950 1.00 0.00 C ATOM 72 CD1 TRP A 8 0.048 -5.050 -10.027 1.00 0.00 C ATOM 73 CD2 TRP A 8 0.439 -6.061 -8.068 1.00 0.00 C ATOM 74 NE1 TRP A 8 -0.895 -6.037 -9.868 1.00 0.00 N ATOM 75 CE2 TRP A 8 -0.676 -6.673 -8.674 1.00 0.00 C ATOM 76 CE3 TRP A 8 0.873 -6.534 -6.826 1.00 0.00 C ATOM 77 CZ2 TRP A 8 -1.361 -7.728 -8.080 1.00 0.00 C ATOM 78 CZ3 TRP A 8 0.191 -7.582 -6.236 1.00 0.00 C ATOM 79 CH2 TRP A 8 -0.915 -8.170 -6.863 1.00 0.00 C ATOM 0 HA TRP A 8 4.101 -3.998 -9.347 1.00 0.00 H new ATOM 0 HB2 TRP A 8 2.019 -3.734 -7.705 1.00 0.00 H new ATOM 0 HB3 TRP A 8 1.936 -3.234 -9.383 1.00 0.00 H new ATOM 0 HD1 TRP A 8 0.116 -4.389 -10.879 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -1.637 -6.260 -10.531 1.00 0.00 H new ATOM 0 HE3 TRP A 8 1.726 -6.089 -6.336 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -2.214 -8.182 -8.562 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 0.516 -7.954 -5.276 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -1.426 -8.988 -6.377 1.00 0.00 H new ATOM 90 N TYR A 9 4.044 -6.676 -7.660 1.00 0.00 N ATOM 91 CA TYR A 9 4.552 -7.370 -6.482 1.00 0.00 C ATOM 92 C TYR A 9 6.057 -7.169 -6.338 1.00 0.00 C ATOM 93 O TYR A 9 6.809 -7.306 -7.304 1.00 0.00 O ATOM 94 CB TYR A 9 4.230 -8.863 -6.565 1.00 0.00 C ATOM 95 CG TYR A 9 4.567 -9.626 -5.304 1.00 0.00 C ATOM 96 CD1 TYR A 9 3.786 -9.500 -4.162 1.00 0.00 C ATOM 97 CD2 TYR A 9 5.668 -10.472 -5.254 1.00 0.00 C ATOM 98 CE1 TYR A 9 4.091 -10.195 -3.007 1.00 0.00 C ATOM 99 CE2 TYR A 9 5.981 -11.171 -4.105 1.00 0.00 C ATOM 100 CZ TYR A 9 5.189 -11.029 -2.984 1.00 0.00 C ATOM 101 OH TYR A 9 5.496 -11.724 -1.837 1.00 0.00 O ATOM 0 H TYR A 9 3.775 -7.291 -8.428 1.00 0.00 H new ATOM 0 HA TYR A 9 4.062 -6.948 -5.604 1.00 0.00 H new ATOM 0 HB2 TYR A 9 3.169 -8.986 -6.781 1.00 0.00 H new ATOM 0 HB3 TYR A 9 4.778 -9.298 -7.401 1.00 0.00 H new ATOM 0 HD1 TYR A 9 2.925 -8.848 -4.177 1.00 0.00 H new ATOM 0 HD2 TYR A 9 6.290 -10.585 -6.130 1.00 0.00 H new ATOM 0 HE1 TYR A 9 3.473 -10.086 -2.128 1.00 0.00 H new ATOM 0 HE2 TYR A 9 6.840 -11.825 -4.084 1.00 0.00 H new ATOM 0 HH TYR A 9 6.316 -11.359 -1.443 1.00 0.00 H new ATOM 111 N HIS A 10 6.491 -6.846 -5.124 1.00 0.00 N ATOM 112 CA HIS A 10 7.908 -6.628 -4.851 1.00 0.00 C ATOM 113 C HIS A 10 8.486 -7.778 -4.033 1.00 0.00 C ATOM 114 O HIS A 10 9.266 -8.583 -4.539 1.00 0.00 O ATOM 115 CB HIS A 10 8.109 -5.306 -4.109 1.00 0.00 C ATOM 116 CG HIS A 10 7.597 -4.115 -4.859 1.00 0.00 C ATOM 117 ND1 HIS A 10 8.424 -3.214 -5.497 1.00 0.00 N ATOM 118 CD2 HIS A 10 6.333 -3.680 -5.072 1.00 0.00 C ATOM 119 CE1 HIS A 10 7.691 -2.275 -6.068 1.00 0.00 C ATOM 120 NE2 HIS A 10 6.419 -2.534 -5.825 1.00 0.00 N ATOM 0 H HIS A 10 5.883 -6.729 -4.314 1.00 0.00 H new ATOM 0 HA HIS A 10 8.434 -6.583 -5.805 1.00 0.00 H new ATOM 0 HB2 HIS A 10 7.606 -5.361 -3.143 1.00 0.00 H new ATOM 0 HB3 HIS A 10 9.172 -5.169 -3.908 1.00 0.00 H new ATOM 0 HD2 HIS A 10 5.426 -4.147 -4.716 1.00 0.00 H new ATOM 0 HE1 HIS A 10 8.068 -1.438 -6.637 1.00 0.00 H new ATOM 0 HE2 HIS A 10 5.629 -1.974 -6.145 1.00 0.00 H new ATOM 129 N GLY A 11 8.100 -7.847 -2.762 1.00 0.00 N ATOM 130 CA GLY A 11 8.590 -8.901 -1.893 1.00 0.00 C ATOM 131 C GLY A 11 8.992 -8.385 -0.526 1.00 0.00 C ATOM 132 O GLY A 11 8.160 -7.867 0.220 1.00 0.00 O ATOM 0 H GLY A 11 7.456 -7.191 -2.319 1.00 0.00 H new ATOM 0 HA2 GLY A 11 7.818 -9.661 -1.778 1.00 0.00 H new ATOM 0 HA3 GLY A 11 9.447 -9.385 -2.362 1.00 0.00 H new ATOM 136 N HIS A 12 10.271 -8.527 -0.193 1.00 0.00 N ATOM 137 CA HIS A 12 10.781 -8.072 1.094 1.00 0.00 C ATOM 138 C HIS A 12 10.985 -6.560 1.094 1.00 0.00 C ATOM 139 O HIS A 12 11.790 -6.033 0.326 1.00 0.00 O ATOM 140 CB HIS A 12 12.098 -8.777 1.422 1.00 0.00 C ATOM 141 CG HIS A 12 12.475 -8.700 2.870 1.00 0.00 C ATOM 142 ND1 HIS A 12 13.717 -8.289 3.304 1.00 0.00 N ATOM 143 CD2 HIS A 12 11.762 -8.981 3.986 1.00 0.00 C ATOM 144 CE1 HIS A 12 13.754 -8.324 4.624 1.00 0.00 C ATOM 145 NE2 HIS A 12 12.580 -8.741 5.063 1.00 0.00 N ATOM 0 H HIS A 12 10.973 -8.954 -0.797 1.00 0.00 H new ATOM 0 HA HIS A 12 10.044 -8.321 1.858 1.00 0.00 H new ATOM 0 HB2 HIS A 12 12.022 -9.824 1.130 1.00 0.00 H new ATOM 0 HB3 HIS A 12 12.895 -8.336 0.824 1.00 0.00 H new ATOM 0 HD2 HIS A 12 10.740 -9.329 4.023 1.00 0.00 H new ATOM 0 HE1 HIS A 12 14.600 -8.057 5.240 1.00 0.00 H new ATOM 0 HE2 HIS A 12 12.323 -8.865 6.042 1.00 0.00 H new ATOM 154 N MET A 13 10.252 -5.869 1.961 1.00 0.00 N ATOM 155 CA MET A 13 10.354 -4.418 2.061 1.00 0.00 C ATOM 156 C MET A 13 9.798 -3.925 3.393 1.00 0.00 C ATOM 157 O MET A 13 8.828 -4.475 3.914 1.00 0.00 O ATOM 158 CB MET A 13 9.605 -3.752 0.904 1.00 0.00 C ATOM 159 CG MET A 13 10.047 -2.323 0.638 1.00 0.00 C ATOM 160 SD MET A 13 11.398 -2.223 -0.553 1.00 0.00 S ATOM 161 CE MET A 13 10.487 -2.115 -2.090 1.00 0.00 C ATOM 0 H MET A 13 9.581 -6.290 2.604 1.00 0.00 H new ATOM 0 HA MET A 13 11.408 -4.148 2.005 1.00 0.00 H new ATOM 0 HB2 MET A 13 9.750 -4.343 -0.000 1.00 0.00 H new ATOM 0 HB3 MET A 13 8.537 -3.759 1.121 1.00 0.00 H new ATOM 0 HG2 MET A 13 9.199 -1.747 0.268 1.00 0.00 H new ATOM 0 HG3 MET A 13 10.360 -1.863 1.575 1.00 0.00 H new ATOM 0 HE1 MET A 13 11.182 -1.958 -2.915 1.00 0.00 H new ATOM 0 HE2 MET A 13 9.935 -3.041 -2.252 1.00 0.00 H new ATOM 0 HE3 MET A 13 9.788 -1.280 -2.041 1.00 0.00 H new ATOM 171 N SER A 14 10.419 -2.883 3.938 1.00 0.00 N ATOM 172 CA SER A 14 9.989 -2.319 5.212 1.00 0.00 C ATOM 173 C SER A 14 9.460 -0.900 5.027 1.00 0.00 C ATOM 174 O SER A 14 9.984 -0.130 4.223 1.00 0.00 O ATOM 175 CB SER A 14 11.148 -2.316 6.211 1.00 0.00 C ATOM 176 OG SER A 14 11.983 -1.188 6.019 1.00 0.00 O ATOM 0 H SER A 14 11.221 -2.413 3.517 1.00 0.00 H new ATOM 0 HA SER A 14 9.184 -2.941 5.602 1.00 0.00 H new ATOM 0 HB2 SER A 14 10.756 -2.313 7.228 1.00 0.00 H new ATOM 0 HB3 SER A 14 11.733 -3.229 6.097 1.00 0.00 H new ATOM 0 HG SER A 14 12.715 -1.208 6.670 1.00 0.00 H new ATOM 182 N GLY A 15 8.415 -0.562 5.776 1.00 0.00 N ATOM 183 CA GLY A 15 7.831 0.763 5.680 1.00 0.00 C ATOM 184 C GLY A 15 8.877 1.847 5.505 1.00 0.00 C ATOM 185 O GLY A 15 8.653 2.825 4.792 1.00 0.00 O ATOM 0 H GLY A 15 7.962 -1.182 6.448 1.00 0.00 H new ATOM 0 HA2 GLY A 15 7.139 0.791 4.839 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.249 0.966 6.579 1.00 0.00 H new ATOM 189 N GLY A 16 10.021 1.674 6.158 1.00 0.00 N ATOM 190 CA GLY A 16 11.088 2.653 6.059 1.00 0.00 C ATOM 191 C GLY A 16 11.646 2.762 4.654 1.00 0.00 C ATOM 192 O GLY A 16 11.929 3.860 4.176 1.00 0.00 O ATOM 0 H GLY A 16 10.229 0.873 6.754 1.00 0.00 H new ATOM 0 HA2 GLY A 16 10.714 3.627 6.375 1.00 0.00 H new ATOM 0 HA3 GLY A 16 11.890 2.382 6.745 1.00 0.00 H new ATOM 196 N GLN A 17 11.807 1.620 3.993 1.00 0.00 N ATOM 197 CA GLN A 17 12.339 1.593 2.636 1.00 0.00 C ATOM 198 C GLN A 17 11.255 1.938 1.620 1.00 0.00 C ATOM 199 O GLN A 17 11.532 2.543 0.584 1.00 0.00 O ATOM 200 CB GLN A 17 12.927 0.215 2.324 1.00 0.00 C ATOM 201 CG GLN A 17 13.547 0.118 0.939 1.00 0.00 C ATOM 202 CD GLN A 17 14.861 0.867 0.835 1.00 0.00 C ATOM 203 OE1 GLN A 17 15.925 0.323 1.135 1.00 0.00 O ATOM 204 NE2 GLN A 17 14.796 2.122 0.408 1.00 0.00 N ATOM 0 H GLN A 17 11.577 0.703 4.375 1.00 0.00 H new ATOM 0 HA GLN A 17 13.128 2.342 2.567 1.00 0.00 H new ATOM 0 HB2 GLN A 17 13.685 -0.025 3.070 1.00 0.00 H new ATOM 0 HB3 GLN A 17 12.141 -0.535 2.415 1.00 0.00 H new ATOM 0 HG2 GLN A 17 13.710 -0.931 0.691 1.00 0.00 H new ATOM 0 HG3 GLN A 17 12.848 0.515 0.203 1.00 0.00 H new ATOM 0 HE21 GLN A 17 13.894 2.534 0.170 1.00 0.00 H new ATOM 0 HE22 GLN A 17 15.648 2.675 0.318 1.00 0.00 H new ATOM 213 N ALA A 18 10.021 1.550 1.923 1.00 0.00 N ATOM 214 CA ALA A 18 8.895 1.820 1.037 1.00 0.00 C ATOM 215 C ALA A 18 8.635 3.319 0.922 1.00 0.00 C ATOM 216 O ALA A 18 8.780 3.901 -0.152 1.00 0.00 O ATOM 217 CB ALA A 18 7.649 1.103 1.533 1.00 0.00 C ATOM 0 H ALA A 18 9.775 1.047 2.776 1.00 0.00 H new ATOM 0 HA ALA A 18 9.146 1.444 0.045 1.00 0.00 H new ATOM 0 HB1 ALA A 18 6.816 1.314 0.862 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.833 0.029 1.557 1.00 0.00 H new ATOM 0 HB3 ALA A 18 7.404 1.452 2.536 1.00 0.00 H new ATOM 223 N GLU A 19 8.249 3.935 2.034 1.00 0.00 N ATOM 224 CA GLU A 19 7.968 5.365 2.057 1.00 0.00 C ATOM 225 C GLU A 19 9.021 6.140 1.269 1.00 0.00 C ATOM 226 O GLU A 19 8.709 7.118 0.588 1.00 0.00 O ATOM 227 CB GLU A 19 7.916 5.876 3.499 1.00 0.00 C ATOM 228 CG GLU A 19 6.568 5.669 4.169 1.00 0.00 C ATOM 229 CD GLU A 19 6.494 6.313 5.540 1.00 0.00 C ATOM 230 OE1 GLU A 19 7.541 6.389 6.216 1.00 0.00 O ATOM 231 OE2 GLU A 19 5.389 6.741 5.937 1.00 0.00 O ATOM 0 H GLU A 19 8.124 3.466 2.931 1.00 0.00 H new ATOM 0 HA GLU A 19 6.997 5.525 1.588 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.684 5.370 4.083 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.158 6.939 3.508 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.784 6.082 3.535 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.373 4.601 4.262 1.00 0.00 H new ATOM 238 N THR A 20 10.269 5.695 1.367 1.00 0.00 N ATOM 239 CA THR A 20 11.369 6.346 0.666 1.00 0.00 C ATOM 240 C THR A 20 11.290 6.095 -0.835 1.00 0.00 C ATOM 241 O THR A 20 11.582 6.980 -1.640 1.00 0.00 O ATOM 242 CB THR A 20 12.735 5.856 1.185 1.00 0.00 C ATOM 243 OG1 THR A 20 12.866 6.160 2.578 1.00 0.00 O ATOM 244 CG2 THR A 20 13.872 6.503 0.410 1.00 0.00 C ATOM 0 H THR A 20 10.544 4.886 1.925 1.00 0.00 H new ATOM 0 HA THR A 20 11.277 7.415 0.859 1.00 0.00 H new ATOM 0 HB THR A 20 12.788 4.777 1.042 1.00 0.00 H new ATOM 0 HG1 THR A 20 12.554 5.398 3.110 1.00 0.00 H new ATOM 0 HG21 THR A 20 14.826 6.142 0.794 1.00 0.00 H new ATOM 0 HG22 THR A 20 13.785 6.246 -0.646 1.00 0.00 H new ATOM 0 HG23 THR A 20 13.821 7.586 0.525 1.00 0.00 H new ATOM 252 N LEU A 21 10.892 4.883 -1.208 1.00 0.00 N ATOM 253 CA LEU A 21 10.772 4.515 -2.614 1.00 0.00 C ATOM 254 C LEU A 21 9.578 5.210 -3.259 1.00 0.00 C ATOM 255 O LEU A 21 9.723 5.922 -4.255 1.00 0.00 O ATOM 256 CB LEU A 21 10.631 2.999 -2.755 1.00 0.00 C ATOM 257 CG LEU A 21 11.914 2.186 -2.572 1.00 0.00 C ATOM 258 CD1 LEU A 21 11.632 0.701 -2.737 1.00 0.00 C ATOM 259 CD2 LEU A 21 12.980 2.641 -3.558 1.00 0.00 C ATOM 0 H LEU A 21 10.647 4.138 -0.555 1.00 0.00 H new ATOM 0 HA LEU A 21 11.678 4.839 -3.127 1.00 0.00 H new ATOM 0 HB2 LEU A 21 9.898 2.653 -2.026 1.00 0.00 H new ATOM 0 HB3 LEU A 21 10.225 2.782 -3.743 1.00 0.00 H new ATOM 0 HG LEU A 21 12.287 2.355 -1.562 1.00 0.00 H new ATOM 0 HD11 LEU A 21 12.556 0.138 -2.604 1.00 0.00 H new ATOM 0 HD12 LEU A 21 10.903 0.384 -1.991 1.00 0.00 H new ATOM 0 HD13 LEU A 21 11.235 0.515 -3.735 1.00 0.00 H new ATOM 0 HD21 LEU A 21 13.885 2.051 -3.413 1.00 0.00 H new ATOM 0 HD22 LEU A 21 12.616 2.503 -4.576 1.00 0.00 H new ATOM 0 HD23 LEU A 21 13.203 3.695 -3.392 1.00 0.00 H new ATOM 271 N LEU A 22 8.397 5.002 -2.686 1.00 0.00 N ATOM 272 CA LEU A 22 7.177 5.611 -3.203 1.00 0.00 C ATOM 273 C LEU A 22 7.353 7.116 -3.383 1.00 0.00 C ATOM 274 O LEU A 22 6.992 7.672 -4.420 1.00 0.00 O ATOM 275 CB LEU A 22 6.005 5.332 -2.261 1.00 0.00 C ATOM 276 CG LEU A 22 5.283 4.000 -2.466 1.00 0.00 C ATOM 277 CD1 LEU A 22 4.461 3.644 -1.235 1.00 0.00 C ATOM 278 CD2 LEU A 22 4.397 4.058 -3.702 1.00 0.00 C ATOM 0 H LEU A 22 8.259 4.416 -1.863 1.00 0.00 H new ATOM 0 HA LEU A 22 6.965 5.170 -4.177 1.00 0.00 H new ATOM 0 HB2 LEU A 22 6.372 5.370 -1.235 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.278 6.137 -2.369 1.00 0.00 H new ATOM 0 HG LEU A 22 6.031 3.222 -2.616 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.954 2.693 -1.399 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.119 3.560 -0.370 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.721 4.423 -1.054 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.891 3.101 -3.832 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.655 4.847 -3.581 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.009 4.267 -4.579 1.00 0.00 H new ATOM 290 N GLN A 23 7.912 7.766 -2.367 1.00 0.00 N ATOM 291 CA GLN A 23 8.136 9.207 -2.415 1.00 0.00 C ATOM 292 C GLN A 23 9.272 9.549 -3.373 1.00 0.00 C ATOM 293 O GLN A 23 9.345 10.662 -3.892 1.00 0.00 O ATOM 294 CB GLN A 23 8.454 9.741 -1.017 1.00 0.00 C ATOM 295 CG GLN A 23 7.273 9.683 -0.061 1.00 0.00 C ATOM 296 CD GLN A 23 7.663 10.011 1.367 1.00 0.00 C ATOM 297 OE1 GLN A 23 8.822 9.867 1.755 1.00 0.00 O ATOM 298 NE2 GLN A 23 6.693 10.453 2.158 1.00 0.00 N ATOM 0 H GLN A 23 8.218 7.319 -1.502 1.00 0.00 H new ATOM 0 HA GLN A 23 7.224 9.680 -2.778 1.00 0.00 H new ATOM 0 HB2 GLN A 23 9.280 9.167 -0.597 1.00 0.00 H new ATOM 0 HB3 GLN A 23 8.794 10.773 -1.100 1.00 0.00 H new ATOM 0 HG2 GLN A 23 6.506 10.382 -0.394 1.00 0.00 H new ATOM 0 HG3 GLN A 23 6.832 8.687 -0.094 1.00 0.00 H new ATOM 0 HE21 GLN A 23 5.746 10.557 1.794 1.00 0.00 H new ATOM 0 HE22 GLN A 23 6.895 10.688 3.130 1.00 0.00 H new ATOM 307 N ALA A 24 10.155 8.584 -3.604 1.00 0.00 N ATOM 308 CA ALA A 24 11.288 8.783 -4.501 1.00 0.00 C ATOM 309 C ALA A 24 10.818 9.012 -5.934 1.00 0.00 C ATOM 310 O ALA A 24 11.296 9.917 -6.618 1.00 0.00 O ATOM 311 CB ALA A 24 12.229 7.590 -4.437 1.00 0.00 C ATOM 0 H ALA A 24 10.108 7.656 -3.183 1.00 0.00 H new ATOM 0 HA ALA A 24 11.826 9.673 -4.175 1.00 0.00 H new ATOM 0 HB1 ALA A 24 13.070 7.753 -5.112 1.00 0.00 H new ATOM 0 HB2 ALA A 24 12.599 7.472 -3.418 1.00 0.00 H new ATOM 0 HB3 ALA A 24 11.694 6.688 -4.735 1.00 0.00 H new ATOM 317 N LYS A 25 9.880 8.185 -6.383 1.00 0.00 N ATOM 318 CA LYS A 25 9.345 8.297 -7.735 1.00 0.00 C ATOM 319 C LYS A 25 8.596 9.613 -7.917 1.00 0.00 C ATOM 320 O LYS A 25 8.798 10.323 -8.901 1.00 0.00 O ATOM 321 CB LYS A 25 8.411 7.122 -8.035 1.00 0.00 C ATOM 322 CG LYS A 25 7.929 7.080 -9.475 1.00 0.00 C ATOM 323 CD LYS A 25 7.672 5.655 -9.935 1.00 0.00 C ATOM 324 CE LYS A 25 6.267 5.198 -9.573 1.00 0.00 C ATOM 325 NZ LYS A 25 5.902 3.928 -10.262 1.00 0.00 N ATOM 0 H LYS A 25 9.474 7.430 -5.830 1.00 0.00 H new ATOM 0 HA LYS A 25 10.182 8.276 -8.432 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.928 6.190 -7.807 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.547 7.177 -7.373 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.014 7.665 -9.571 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.673 7.544 -10.123 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.811 5.589 -11.014 1.00 0.00 H new ATOM 0 HD3 LYS A 25 8.402 4.987 -9.479 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.197 5.059 -8.494 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.552 5.975 -9.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.879 3.765 -10.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.153 3.995 -11.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.419 3.137 -9.828 1.00 0.00 H new ATOM 339 N GLY A 26 7.732 9.935 -6.959 1.00 0.00 N ATOM 340 CA GLY A 26 6.967 11.167 -7.032 1.00 0.00 C ATOM 341 C GLY A 26 5.674 11.001 -7.805 1.00 0.00 C ATOM 342 O GLY A 26 5.127 11.973 -8.327 1.00 0.00 O ATOM 0 H GLY A 26 7.548 9.365 -6.134 1.00 0.00 H new ATOM 0 HA2 GLY A 26 6.742 11.512 -6.023 1.00 0.00 H new ATOM 0 HA3 GLY A 26 7.573 11.940 -7.505 1.00 0.00 H new ATOM 346 N GLU A 27 5.184 9.768 -7.879 1.00 0.00 N ATOM 347 CA GLU A 27 3.947 9.480 -8.596 1.00 0.00 C ATOM 348 C GLU A 27 2.794 9.251 -7.623 1.00 0.00 C ATOM 349 O GLU A 27 2.786 8.300 -6.842 1.00 0.00 O ATOM 350 CB GLU A 27 4.125 8.250 -9.490 1.00 0.00 C ATOM 351 CG GLU A 27 4.887 8.536 -10.773 1.00 0.00 C ATOM 352 CD GLU A 27 4.053 9.288 -11.792 1.00 0.00 C ATOM 353 OE1 GLU A 27 3.236 10.138 -11.378 1.00 0.00 O ATOM 354 OE2 GLU A 27 4.215 9.026 -13.002 1.00 0.00 O ATOM 0 H GLU A 27 5.624 8.953 -7.452 1.00 0.00 H new ATOM 0 HA GLU A 27 3.709 10.343 -9.218 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.651 7.477 -8.930 1.00 0.00 H new ATOM 0 HB3 GLU A 27 3.143 7.849 -9.742 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.779 9.117 -10.539 1.00 0.00 H new ATOM 0 HG3 GLU A 27 5.224 7.595 -11.208 1.00 0.00 H new ATOM 361 N PRO A 28 1.796 10.146 -7.669 1.00 0.00 N ATOM 362 CA PRO A 28 0.619 10.065 -6.799 1.00 0.00 C ATOM 363 C PRO A 28 -0.286 8.892 -7.156 1.00 0.00 C ATOM 364 O PRO A 28 -0.340 8.466 -8.310 1.00 0.00 O ATOM 365 CB PRO A 28 -0.101 11.392 -7.051 1.00 0.00 C ATOM 366 CG PRO A 28 0.329 11.802 -8.418 1.00 0.00 C ATOM 367 CD PRO A 28 1.740 11.307 -8.574 1.00 0.00 C ATOM 0 HA PRO A 28 0.894 9.905 -5.756 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -1.183 11.272 -6.995 1.00 0.00 H new ATOM 0 HB3 PRO A 28 0.175 12.140 -6.308 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -0.322 11.370 -9.178 1.00 0.00 H new ATOM 0 HG3 PRO A 28 0.280 12.885 -8.534 1.00 0.00 H new ATOM 0 HD2 PRO A 28 1.955 11.024 -9.604 1.00 0.00 H new ATOM 0 HD3 PRO A 28 2.467 12.070 -8.295 1.00 0.00 H new ATOM 375 N TRP A 29 -0.994 8.372 -6.159 1.00 0.00 N ATOM 376 CA TRP A 29 -1.897 7.247 -6.370 1.00 0.00 C ATOM 377 C TRP A 29 -1.124 5.996 -6.772 1.00 0.00 C ATOM 378 O TRP A 29 -1.629 5.153 -7.515 1.00 0.00 O ATOM 379 CB TRP A 29 -2.931 7.590 -7.444 1.00 0.00 C ATOM 380 CG TRP A 29 -3.723 8.824 -7.133 1.00 0.00 C ATOM 381 CD1 TRP A 29 -3.920 9.900 -7.954 1.00 0.00 C ATOM 382 CD2 TRP A 29 -4.421 9.111 -5.917 1.00 0.00 C ATOM 383 NE1 TRP A 29 -4.699 10.837 -7.320 1.00 0.00 N ATOM 384 CE2 TRP A 29 -5.020 10.377 -6.070 1.00 0.00 C ATOM 385 CE3 TRP A 29 -4.601 8.422 -4.716 1.00 0.00 C ATOM 386 CZ2 TRP A 29 -5.783 10.966 -5.064 1.00 0.00 C ATOM 387 CZ3 TRP A 29 -5.358 9.007 -3.718 1.00 0.00 C ATOM 388 CH2 TRP A 29 -5.942 10.267 -3.898 1.00 0.00 C ATOM 0 H TRP A 29 -0.960 8.711 -5.198 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.412 7.046 -5.431 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -2.422 7.724 -8.398 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -3.614 6.749 -7.563 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -3.522 9.998 -8.953 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -4.991 11.731 -7.716 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -4.156 7.449 -4.569 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -6.233 11.939 -5.199 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -5.501 8.484 -2.784 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -6.530 10.696 -3.100 1.00 0.00 H new ATOM 399 N THR A 30 0.104 5.880 -6.278 1.00 0.00 N ATOM 400 CA THR A 30 0.947 4.733 -6.587 1.00 0.00 C ATOM 401 C THR A 30 0.900 3.698 -5.468 1.00 0.00 C ATOM 402 O THR A 30 1.286 3.979 -4.333 1.00 0.00 O ATOM 403 CB THR A 30 2.410 5.155 -6.819 1.00 0.00 C ATOM 404 OG1 THR A 30 2.491 6.048 -7.935 1.00 0.00 O ATOM 405 CG2 THR A 30 3.291 3.941 -7.069 1.00 0.00 C ATOM 0 H THR A 30 0.537 6.567 -5.661 1.00 0.00 H new ATOM 0 HA THR A 30 0.555 4.292 -7.503 1.00 0.00 H new ATOM 0 HB THR A 30 2.765 5.662 -5.922 1.00 0.00 H new ATOM 0 HG1 THR A 30 2.985 6.853 -7.675 1.00 0.00 H new ATOM 0 HG21 THR A 30 4.319 4.265 -7.230 1.00 0.00 H new ATOM 0 HG22 THR A 30 3.250 3.278 -6.205 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.936 3.409 -7.952 1.00 0.00 H new ATOM 413 N PHE A 31 0.425 2.501 -5.794 1.00 0.00 N ATOM 414 CA PHE A 31 0.327 1.424 -4.815 1.00 0.00 C ATOM 415 C PHE A 31 1.411 0.376 -5.050 1.00 0.00 C ATOM 416 O PHE A 31 1.879 0.191 -6.175 1.00 0.00 O ATOM 417 CB PHE A 31 -1.054 0.770 -4.881 1.00 0.00 C ATOM 418 CG PHE A 31 -1.153 -0.319 -5.912 1.00 0.00 C ATOM 419 CD1 PHE A 31 -1.247 -0.008 -7.259 1.00 0.00 C ATOM 420 CD2 PHE A 31 -1.153 -1.651 -5.533 1.00 0.00 C ATOM 421 CE1 PHE A 31 -1.339 -1.008 -8.210 1.00 0.00 C ATOM 422 CE2 PHE A 31 -1.243 -2.654 -6.480 1.00 0.00 C ATOM 423 CZ PHE A 31 -1.338 -2.332 -7.819 1.00 0.00 C ATOM 0 H PHE A 31 0.102 2.252 -6.729 1.00 0.00 H new ATOM 0 HA PHE A 31 0.470 1.853 -3.823 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.299 0.356 -3.903 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -1.799 1.535 -5.099 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.248 1.026 -7.570 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.082 -1.909 -4.487 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.412 -0.753 -9.257 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -1.239 -3.689 -6.172 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.411 -3.115 -8.560 1.00 0.00 H new ATOM 433 N LEU A 32 1.806 -0.308 -3.982 1.00 0.00 N ATOM 434 CA LEU A 32 2.834 -1.339 -4.070 1.00 0.00 C ATOM 435 C LEU A 32 2.595 -2.437 -3.039 1.00 0.00 C ATOM 436 O LEU A 32 2.322 -2.157 -1.871 1.00 0.00 O ATOM 437 CB LEU A 32 4.220 -0.722 -3.864 1.00 0.00 C ATOM 438 CG LEU A 32 4.722 -0.668 -2.421 1.00 0.00 C ATOM 439 CD1 LEU A 32 5.464 -1.947 -2.065 1.00 0.00 C ATOM 440 CD2 LEU A 32 5.618 0.545 -2.214 1.00 0.00 C ATOM 0 H LEU A 32 1.430 -0.167 -3.044 1.00 0.00 H new ATOM 0 HA LEU A 32 2.784 -1.784 -5.064 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.939 -1.287 -4.457 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.207 0.293 -4.261 1.00 0.00 H new ATOM 0 HG LEU A 32 3.860 -0.577 -1.760 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.814 -1.890 -1.034 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.793 -2.799 -2.174 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.318 -2.070 -2.731 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.966 0.568 -1.181 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.475 0.483 -2.885 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.055 1.454 -2.427 1.00 0.00 H new ATOM 452 N VAL A 33 2.702 -3.687 -3.478 1.00 0.00 N ATOM 453 CA VAL A 33 2.500 -4.827 -2.593 1.00 0.00 C ATOM 454 C VAL A 33 3.825 -5.326 -2.028 1.00 0.00 C ATOM 455 O VAL A 33 4.776 -5.569 -2.771 1.00 0.00 O ATOM 456 CB VAL A 33 1.797 -5.987 -3.323 1.00 0.00 C ATOM 457 CG1 VAL A 33 1.510 -7.129 -2.360 1.00 0.00 C ATOM 458 CG2 VAL A 33 0.516 -5.502 -3.984 1.00 0.00 C ATOM 0 H VAL A 33 2.927 -3.935 -4.441 1.00 0.00 H new ATOM 0 HA VAL A 33 1.866 -4.484 -1.776 1.00 0.00 H new ATOM 0 HB VAL A 33 2.463 -6.359 -4.102 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.013 -7.939 -2.894 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.447 -7.493 -1.938 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.864 -6.774 -1.557 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.033 -6.335 -4.495 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.156 -5.102 -3.225 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.753 -4.721 -4.707 1.00 0.00 H new ATOM 468 N ARG A 34 3.881 -5.475 -0.708 1.00 0.00 N ATOM 469 CA ARG A 34 5.091 -5.944 -0.042 1.00 0.00 C ATOM 470 C ARG A 34 4.749 -6.889 1.105 1.00 0.00 C ATOM 471 O ARG A 34 3.589 -7.008 1.499 1.00 0.00 O ATOM 472 CB ARG A 34 5.901 -4.758 0.485 1.00 0.00 C ATOM 473 CG ARG A 34 5.160 -3.926 1.519 1.00 0.00 C ATOM 474 CD ARG A 34 6.022 -2.786 2.038 1.00 0.00 C ATOM 475 NE ARG A 34 5.435 -2.146 3.213 1.00 0.00 N ATOM 476 CZ ARG A 34 5.496 -2.659 4.436 1.00 0.00 C ATOM 477 NH1 ARG A 34 6.116 -3.812 4.646 1.00 0.00 N ATOM 478 NH2 ARG A 34 4.938 -2.017 5.454 1.00 0.00 N ATOM 0 H ARG A 34 3.103 -5.278 -0.079 1.00 0.00 H new ATOM 0 HA ARG A 34 5.689 -6.488 -0.772 1.00 0.00 H new ATOM 0 HB2 ARG A 34 6.827 -5.128 0.925 1.00 0.00 H new ATOM 0 HB3 ARG A 34 6.179 -4.118 -0.352 1.00 0.00 H new ATOM 0 HG2 ARG A 34 4.249 -3.523 1.078 1.00 0.00 H new ATOM 0 HG3 ARG A 34 4.857 -4.562 2.351 1.00 0.00 H new ATOM 0 HD2 ARG A 34 7.012 -3.166 2.289 1.00 0.00 H new ATOM 0 HD3 ARG A 34 6.155 -2.045 1.250 1.00 0.00 H new ATOM 0 HE ARG A 34 4.952 -1.257 3.087 1.00 0.00 H new ATOM 0 HH11 ARG A 34 6.548 -4.308 3.867 1.00 0.00 H new ATOM 0 HH12 ARG A 34 6.161 -4.203 5.587 1.00 0.00 H new ATOM 0 HH21 ARG A 34 4.462 -1.129 5.297 1.00 0.00 H new ATOM 0 HH22 ARG A 34 4.985 -2.412 6.393 1.00 0.00 H new ATOM 492 N GLU A 35 5.765 -7.560 1.636 1.00 0.00 N ATOM 493 CA GLU A 35 5.572 -8.497 2.737 1.00 0.00 C ATOM 494 C GLU A 35 5.757 -7.800 4.082 1.00 0.00 C ATOM 495 O GLU A 35 6.534 -6.853 4.201 1.00 0.00 O ATOM 496 CB GLU A 35 6.548 -9.668 2.618 1.00 0.00 C ATOM 497 CG GLU A 35 6.192 -10.647 1.512 1.00 0.00 C ATOM 498 CD GLU A 35 7.405 -11.362 0.951 1.00 0.00 C ATOM 499 OE1 GLU A 35 8.133 -12.001 1.740 1.00 0.00 O ATOM 500 OE2 GLU A 35 7.628 -11.281 -0.274 1.00 0.00 O ATOM 0 H GLU A 35 6.731 -7.473 1.322 1.00 0.00 H new ATOM 0 HA GLU A 35 4.552 -8.878 2.681 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.550 -9.278 2.438 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.580 -10.202 3.568 1.00 0.00 H new ATOM 0 HG2 GLU A 35 5.487 -11.384 1.897 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.686 -10.112 0.708 1.00 0.00 H new ATOM 507 N SER A 36 5.037 -8.277 5.092 1.00 0.00 N ATOM 508 CA SER A 36 5.118 -7.698 6.428 1.00 0.00 C ATOM 509 C SER A 36 6.408 -8.119 7.126 1.00 0.00 C ATOM 510 O SER A 36 7.072 -9.068 6.707 1.00 0.00 O ATOM 511 CB SER A 36 3.910 -8.123 7.266 1.00 0.00 C ATOM 512 OG SER A 36 4.053 -7.709 8.614 1.00 0.00 O ATOM 0 H SER A 36 4.391 -9.062 5.011 1.00 0.00 H new ATOM 0 HA SER A 36 5.117 -6.613 6.327 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.002 -7.693 6.845 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.798 -9.206 7.225 1.00 0.00 H new ATOM 0 HG SER A 36 3.268 -7.991 9.128 1.00 0.00 H new ATOM 586 N ASP A 42 1.959 -12.395 6.648 1.00 0.00 N ATOM 587 CA ASP A 42 1.094 -11.259 6.348 1.00 0.00 C ATOM 588 C ASP A 42 1.729 -10.355 5.297 1.00 0.00 C ATOM 589 O ASP A 42 2.907 -10.500 4.969 1.00 0.00 O ATOM 590 CB ASP A 42 0.806 -10.459 7.620 1.00 0.00 C ATOM 591 CG ASP A 42 -0.516 -9.720 7.552 1.00 0.00 C ATOM 592 OD1 ASP A 42 -0.591 -8.703 6.830 1.00 0.00 O ATOM 593 OD2 ASP A 42 -1.475 -10.158 8.220 1.00 0.00 O ATOM 0 HA ASP A 42 0.155 -11.644 5.950 1.00 0.00 H new ATOM 0 HB2 ASP A 42 0.798 -11.134 8.476 1.00 0.00 H new ATOM 0 HB3 ASP A 42 1.611 -9.743 7.786 1.00 0.00 H new ATOM 598 N PHE A 43 0.941 -9.424 4.771 1.00 0.00 N ATOM 599 CA PHE A 43 1.427 -8.497 3.754 1.00 0.00 C ATOM 600 C PHE A 43 1.046 -7.060 4.102 1.00 0.00 C ATOM 601 O PHE A 43 0.270 -6.818 5.026 1.00 0.00 O ATOM 602 CB PHE A 43 0.859 -8.868 2.382 1.00 0.00 C ATOM 603 CG PHE A 43 1.382 -10.171 1.850 1.00 0.00 C ATOM 604 CD1 PHE A 43 2.602 -10.228 1.194 1.00 0.00 C ATOM 605 CD2 PHE A 43 0.656 -11.341 2.006 1.00 0.00 C ATOM 606 CE1 PHE A 43 3.085 -11.425 0.703 1.00 0.00 C ATOM 607 CE2 PHE A 43 1.135 -12.542 1.518 1.00 0.00 C ATOM 608 CZ PHE A 43 2.352 -12.584 0.866 1.00 0.00 C ATOM 0 H PHE A 43 -0.036 -9.291 5.031 1.00 0.00 H new ATOM 0 HA PHE A 43 2.514 -8.569 3.722 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -0.228 -8.922 2.450 1.00 0.00 H new ATOM 0 HB3 PHE A 43 1.095 -8.074 1.673 1.00 0.00 H new ATOM 0 HD1 PHE A 43 3.181 -9.326 1.065 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -0.296 -11.314 2.515 1.00 0.00 H new ATOM 0 HE1 PHE A 43 4.036 -11.455 0.192 1.00 0.00 H new ATOM 0 HE2 PHE A 43 0.559 -13.446 1.646 1.00 0.00 H new ATOM 0 HZ PHE A 43 2.729 -13.521 0.485 1.00 0.00 H new ATOM 618 N VAL A 44 1.601 -6.110 3.355 1.00 0.00 N ATOM 619 CA VAL A 44 1.320 -4.698 3.584 1.00 0.00 C ATOM 620 C VAL A 44 1.084 -3.966 2.268 1.00 0.00 C ATOM 621 O VAL A 44 1.914 -4.015 1.359 1.00 0.00 O ATOM 622 CB VAL A 44 2.474 -4.012 4.340 1.00 0.00 C ATOM 623 CG1 VAL A 44 2.154 -2.546 4.586 1.00 0.00 C ATOM 624 CG2 VAL A 44 2.752 -4.732 5.651 1.00 0.00 C ATOM 0 H VAL A 44 2.247 -6.293 2.587 1.00 0.00 H new ATOM 0 HA VAL A 44 0.417 -4.649 4.192 1.00 0.00 H new ATOM 0 HB VAL A 44 3.372 -4.065 3.724 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.980 -2.078 5.121 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.007 -2.041 3.632 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.245 -2.467 5.182 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.570 -4.235 6.173 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.858 -4.711 6.274 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.028 -5.767 5.447 1.00 0.00 H new ATOM 634 N LEU A 45 -0.053 -3.285 2.171 1.00 0.00 N ATOM 635 CA LEU A 45 -0.399 -2.540 0.966 1.00 0.00 C ATOM 636 C LEU A 45 -0.071 -1.060 1.128 1.00 0.00 C ATOM 637 O LEU A 45 -0.754 -0.338 1.855 1.00 0.00 O ATOM 638 CB LEU A 45 -1.884 -2.713 0.645 1.00 0.00 C ATOM 639 CG LEU A 45 -2.286 -2.490 -0.813 1.00 0.00 C ATOM 640 CD1 LEU A 45 -2.212 -1.013 -1.168 1.00 0.00 C ATOM 641 CD2 LEU A 45 -1.401 -3.308 -1.742 1.00 0.00 C ATOM 0 H LEU A 45 -0.751 -3.234 2.913 1.00 0.00 H new ATOM 0 HA LEU A 45 0.193 -2.936 0.141 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.182 -3.721 0.933 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.453 -2.022 1.267 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.316 -2.822 -0.940 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.502 -0.874 -2.210 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.889 -0.450 -0.525 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.193 -0.655 -1.024 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.702 -3.137 -2.776 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.361 -3.007 -1.612 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.505 -4.367 -1.505 1.00 0.00 H new ATOM 653 N SER A 46 0.977 -0.612 0.443 1.00 0.00 N ATOM 654 CA SER A 46 1.396 0.783 0.512 1.00 0.00 C ATOM 655 C SER A 46 0.885 1.564 -0.694 1.00 0.00 C ATOM 656 O SER A 46 0.908 1.072 -1.822 1.00 0.00 O ATOM 657 CB SER A 46 2.921 0.876 0.585 1.00 0.00 C ATOM 658 OG SER A 46 3.329 2.028 1.303 1.00 0.00 O ATOM 0 H SER A 46 1.551 -1.195 -0.166 1.00 0.00 H new ATOM 0 HA SER A 46 0.969 1.221 1.414 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.320 -0.017 1.067 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.335 0.906 -0.423 1.00 0.00 H new ATOM 0 HG SER A 46 3.316 1.836 2.264 1.00 0.00 H new ATOM 664 N VAL A 47 0.422 2.785 -0.447 1.00 0.00 N ATOM 665 CA VAL A 47 -0.094 3.638 -1.513 1.00 0.00 C ATOM 666 C VAL A 47 0.233 5.104 -1.252 1.00 0.00 C ATOM 667 O VAL A 47 0.075 5.597 -0.135 1.00 0.00 O ATOM 668 CB VAL A 47 -1.618 3.483 -1.665 1.00 0.00 C ATOM 669 CG1 VAL A 47 -2.075 4.003 -3.020 1.00 0.00 C ATOM 670 CG2 VAL A 47 -2.028 2.029 -1.477 1.00 0.00 C ATOM 0 H VAL A 47 0.393 3.206 0.481 1.00 0.00 H new ATOM 0 HA VAL A 47 0.391 3.320 -2.436 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.105 4.077 -0.891 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.155 3.885 -3.110 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.816 5.058 -3.111 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.582 3.439 -3.811 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.109 1.938 -1.588 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.533 1.412 -2.227 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.736 1.694 -0.482 1.00 0.00 H new ATOM 680 N LEU A 48 0.691 5.795 -2.289 1.00 0.00 N ATOM 681 CA LEU A 48 1.041 7.206 -2.174 1.00 0.00 C ATOM 682 C LEU A 48 -0.180 8.091 -2.399 1.00 0.00 C ATOM 683 O LEU A 48 -0.841 8.001 -3.434 1.00 0.00 O ATOM 684 CB LEU A 48 2.137 7.565 -3.179 1.00 0.00 C ATOM 685 CG LEU A 48 3.012 8.766 -2.819 1.00 0.00 C ATOM 686 CD1 LEU A 48 3.601 8.599 -1.428 1.00 0.00 C ATOM 687 CD2 LEU A 48 4.117 8.949 -3.850 1.00 0.00 C ATOM 0 H LEU A 48 0.829 5.401 -3.220 1.00 0.00 H new ATOM 0 HA LEU A 48 1.412 7.380 -1.164 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.783 6.696 -3.308 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.668 7.759 -4.144 1.00 0.00 H new ATOM 0 HG LEU A 48 2.388 9.660 -2.822 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.221 9.463 -1.189 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.795 8.518 -0.699 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.210 7.696 -1.397 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.730 9.808 -3.578 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.739 8.054 -3.879 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.674 9.116 -4.832 1.00 0.00 H new ATOM 699 N SER A 49 -0.474 8.945 -1.424 1.00 0.00 N ATOM 700 CA SER A 49 -1.619 9.846 -1.516 1.00 0.00 C ATOM 701 C SER A 49 -1.264 11.093 -2.319 1.00 0.00 C ATOM 702 O SER A 49 -0.112 11.524 -2.343 1.00 0.00 O ATOM 703 CB SER A 49 -2.094 10.243 -0.117 1.00 0.00 C ATOM 704 OG SER A 49 -1.014 10.702 0.678 1.00 0.00 O ATOM 0 H SER A 49 0.064 9.033 -0.562 1.00 0.00 H new ATOM 0 HA SER A 49 -2.425 9.322 -2.030 1.00 0.00 H new ATOM 0 HB2 SER A 49 -2.850 11.024 -0.195 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.567 9.388 0.366 1.00 0.00 H new ATOM 0 HG SER A 49 -0.427 9.949 0.898 1.00 0.00 H new ATOM 710 N ASP A 50 -2.266 11.669 -2.977 1.00 0.00 N ATOM 711 CA ASP A 50 -2.063 12.868 -3.781 1.00 0.00 C ATOM 712 C ASP A 50 -1.892 14.095 -2.892 1.00 0.00 C ATOM 713 O ASP A 50 -1.791 15.219 -3.384 1.00 0.00 O ATOM 714 CB ASP A 50 -3.240 13.073 -4.735 1.00 0.00 C ATOM 715 CG ASP A 50 -4.364 13.871 -4.105 1.00 0.00 C ATOM 716 OD1 ASP A 50 -5.251 13.255 -3.477 1.00 0.00 O ATOM 717 OD2 ASP A 50 -4.356 15.113 -4.238 1.00 0.00 O ATOM 0 H ASP A 50 -3.226 11.324 -2.969 1.00 0.00 H new ATOM 0 HA ASP A 50 -1.152 12.735 -4.365 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -2.892 13.586 -5.631 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -3.621 12.102 -5.051 1.00 0.00 H new ATOM 722 N GLN A 51 -1.861 13.873 -1.583 1.00 0.00 N ATOM 723 CA GLN A 51 -1.704 14.963 -0.626 1.00 0.00 C ATOM 724 C GLN A 51 -0.275 15.023 -0.099 1.00 0.00 C ATOM 725 O GLN A 51 0.204 14.110 0.575 1.00 0.00 O ATOM 726 CB GLN A 51 -2.683 14.792 0.537 1.00 0.00 C ATOM 727 CG GLN A 51 -4.094 15.260 0.220 1.00 0.00 C ATOM 728 CD GLN A 51 -4.976 15.333 1.450 1.00 0.00 C ATOM 729 OE1 GLN A 51 -4.841 16.240 2.272 1.00 0.00 O ATOM 730 NE2 GLN A 51 -5.885 14.375 1.584 1.00 0.00 N ATOM 0 H GLN A 51 -1.942 12.949 -1.160 1.00 0.00 H new ATOM 0 HA GLN A 51 -1.921 15.899 -1.140 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -2.714 13.741 0.823 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -2.311 15.346 1.399 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -4.050 16.243 -0.249 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -4.543 14.581 -0.505 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -5.962 13.643 0.878 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -6.507 14.371 2.393 1.00 0.00 H new ATOM 739 N PRO A 52 0.427 16.123 -0.413 1.00 0.00 N ATOM 740 CA PRO A 52 1.812 16.328 0.020 1.00 0.00 C ATOM 741 C PRO A 52 1.921 16.567 1.521 1.00 0.00 C ATOM 742 O PRO A 52 0.966 17.007 2.161 1.00 0.00 O ATOM 743 CB PRO A 52 2.243 17.577 -0.754 1.00 0.00 C ATOM 744 CG PRO A 52 0.975 18.307 -1.033 1.00 0.00 C ATOM 745 CD PRO A 52 -0.080 17.249 -1.214 1.00 0.00 C ATOM 0 HA PRO A 52 2.434 15.454 -0.173 1.00 0.00 H new ATOM 0 HB2 PRO A 52 2.931 18.188 -0.169 1.00 0.00 H new ATOM 0 HB3 PRO A 52 2.759 17.312 -1.677 1.00 0.00 H new ATOM 0 HG2 PRO A 52 0.720 18.976 -0.211 1.00 0.00 H new ATOM 0 HG3 PRO A 52 1.068 18.923 -1.928 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -1.054 17.588 -0.860 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -0.199 16.975 -2.262 1.00 0.00 H new ATOM 753 N LYS A 53 3.092 16.277 2.078 1.00 0.00 N ATOM 754 CA LYS A 53 3.328 16.462 3.505 1.00 0.00 C ATOM 755 C LYS A 53 3.368 17.945 3.862 1.00 0.00 C ATOM 756 O LYS A 53 2.877 18.354 4.914 1.00 0.00 O ATOM 757 CB LYS A 53 4.640 15.792 3.917 1.00 0.00 C ATOM 758 CG LYS A 53 4.560 14.276 3.968 1.00 0.00 C ATOM 759 CD LYS A 53 5.908 13.657 4.295 1.00 0.00 C ATOM 760 CE LYS A 53 6.195 13.705 5.789 1.00 0.00 C ATOM 761 NZ LYS A 53 7.575 13.241 6.103 1.00 0.00 N ATOM 0 H LYS A 53 3.893 15.913 1.562 1.00 0.00 H new ATOM 0 HA LYS A 53 2.504 15.998 4.047 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.422 16.083 3.216 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.936 16.165 4.897 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.829 13.974 4.718 1.00 0.00 H new ATOM 0 HG3 LYS A 53 4.208 13.897 3.009 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.927 12.622 3.953 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.693 14.186 3.755 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.063 14.724 6.152 1.00 0.00 H new ATOM 0 HE3 LYS A 53 5.473 13.083 6.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.732 13.288 7.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.693 12.260 5.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.265 13.850 5.619 1.00 0.00 H new ATOM 813 N SER A 58 7.408 18.784 -1.721 1.00 0.00 N ATOM 814 CA SER A 58 7.521 17.805 -0.647 1.00 0.00 C ATOM 815 C SER A 58 6.995 16.445 -1.094 1.00 0.00 C ATOM 816 O SER A 58 6.128 16.339 -1.961 1.00 0.00 O ATOM 817 CB SER A 58 6.754 18.281 0.589 1.00 0.00 C ATOM 818 OG SER A 58 5.389 17.907 0.516 1.00 0.00 O ATOM 0 HA SER A 58 8.576 17.701 -0.393 1.00 0.00 H new ATOM 0 HB2 SER A 58 7.204 17.856 1.486 1.00 0.00 H new ATOM 0 HB3 SER A 58 6.834 19.365 0.676 1.00 0.00 H new ATOM 0 HG SER A 58 4.920 18.221 1.317 1.00 0.00 H new ATOM 824 N PRO A 59 7.532 15.375 -0.487 1.00 0.00 N ATOM 825 CA PRO A 59 7.133 14.001 -0.805 1.00 0.00 C ATOM 826 C PRO A 59 5.719 13.684 -0.330 1.00 0.00 C ATOM 827 O PRO A 59 5.356 13.978 0.811 1.00 0.00 O ATOM 828 CB PRO A 59 8.155 13.150 -0.049 1.00 0.00 C ATOM 829 CG PRO A 59 8.610 14.016 1.076 1.00 0.00 C ATOM 830 CD PRO A 59 8.570 15.426 0.555 1.00 0.00 C ATOM 0 HA PRO A 59 7.119 13.819 -1.880 1.00 0.00 H new ATOM 0 HB2 PRO A 59 7.707 12.227 0.318 1.00 0.00 H new ATOM 0 HB3 PRO A 59 8.988 12.867 -0.693 1.00 0.00 H new ATOM 0 HG2 PRO A 59 7.960 13.902 1.944 1.00 0.00 H new ATOM 0 HG3 PRO A 59 9.617 13.746 1.394 1.00 0.00 H new ATOM 0 HD2 PRO A 59 8.316 16.138 1.341 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.534 15.731 0.148 1.00 0.00 H new ATOM 838 N LEU A 60 4.925 13.082 -1.208 1.00 0.00 N ATOM 839 CA LEU A 60 3.551 12.724 -0.877 1.00 0.00 C ATOM 840 C LEU A 60 3.509 11.741 0.288 1.00 0.00 C ATOM 841 O LEU A 60 4.414 10.923 0.456 1.00 0.00 O ATOM 842 CB LEU A 60 2.853 12.116 -2.096 1.00 0.00 C ATOM 843 CG LEU A 60 2.377 13.106 -3.160 1.00 0.00 C ATOM 844 CD1 LEU A 60 2.021 14.442 -2.524 1.00 0.00 C ATOM 845 CD2 LEU A 60 3.441 13.290 -4.232 1.00 0.00 C ATOM 0 H LEU A 60 5.209 12.831 -2.155 1.00 0.00 H new ATOM 0 HA LEU A 60 3.027 13.633 -0.581 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.537 11.409 -2.566 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.992 11.544 -1.749 1.00 0.00 H new ATOM 0 HG LEU A 60 1.482 12.701 -3.632 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.684 15.134 -3.296 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.224 14.297 -1.794 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.899 14.853 -2.026 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.085 13.998 -4.981 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.354 13.673 -3.776 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.647 12.331 -4.708 1.00 0.00 H new ATOM 857 N ARG A 61 2.453 11.826 1.091 1.00 0.00 N ATOM 858 CA ARG A 61 2.293 10.943 2.240 1.00 0.00 C ATOM 859 C ARG A 61 1.961 9.523 1.793 1.00 0.00 C ATOM 860 O ARG A 61 1.293 9.321 0.779 1.00 0.00 O ATOM 861 CB ARG A 61 1.194 11.469 3.165 1.00 0.00 C ATOM 862 CG ARG A 61 1.156 10.779 4.519 1.00 0.00 C ATOM 863 CD ARG A 61 2.033 11.494 5.534 1.00 0.00 C ATOM 864 NE ARG A 61 2.342 10.647 6.682 1.00 0.00 N ATOM 865 CZ ARG A 61 2.915 11.097 7.794 1.00 0.00 C ATOM 866 NH1 ARG A 61 3.237 12.379 7.906 1.00 0.00 N ATOM 867 NH2 ARG A 61 3.165 10.264 8.796 1.00 0.00 N ATOM 0 H ARG A 61 1.695 12.498 0.967 1.00 0.00 H new ATOM 0 HA ARG A 61 3.237 10.922 2.784 1.00 0.00 H new ATOM 0 HB2 ARG A 61 1.339 12.539 3.316 1.00 0.00 H new ATOM 0 HB3 ARG A 61 0.228 11.344 2.676 1.00 0.00 H new ATOM 0 HG2 ARG A 61 0.129 10.746 4.883 1.00 0.00 H new ATOM 0 HG3 ARG A 61 1.489 9.747 4.412 1.00 0.00 H new ATOM 0 HD2 ARG A 61 2.960 11.808 5.055 1.00 0.00 H new ATOM 0 HD3 ARG A 61 1.529 12.398 5.876 1.00 0.00 H new ATOM 0 HE ARG A 61 2.105 9.656 6.628 1.00 0.00 H new ATOM 0 HH11 ARG A 61 3.045 13.022 7.138 1.00 0.00 H new ATOM 0 HH12 ARG A 61 3.677 12.722 8.760 1.00 0.00 H new ATOM 0 HH21 ARG A 61 2.918 9.278 8.713 1.00 0.00 H new ATOM 0 HH22 ARG A 61 3.605 10.610 9.649 1.00 0.00 H new ATOM 881 N VAL A 62 2.432 8.542 2.556 1.00 0.00 N ATOM 882 CA VAL A 62 2.184 7.140 2.240 1.00 0.00 C ATOM 883 C VAL A 62 1.176 6.529 3.205 1.00 0.00 C ATOM 884 O VAL A 62 1.019 6.994 4.335 1.00 0.00 O ATOM 885 CB VAL A 62 3.484 6.316 2.283 1.00 0.00 C ATOM 886 CG1 VAL A 62 3.238 4.902 1.781 1.00 0.00 C ATOM 887 CG2 VAL A 62 4.574 6.998 1.469 1.00 0.00 C ATOM 0 H VAL A 62 2.988 8.692 3.398 1.00 0.00 H new ATOM 0 HA VAL A 62 1.778 7.111 1.229 1.00 0.00 H new ATOM 0 HB VAL A 62 3.820 6.254 3.318 1.00 0.00 H new ATOM 0 HG11 VAL A 62 4.168 4.335 1.819 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.492 4.417 2.410 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.877 4.938 0.753 1.00 0.00 H new ATOM 0 HG21 VAL A 62 5.486 6.402 1.510 1.00 0.00 H new ATOM 0 HG22 VAL A 62 4.249 7.093 0.433 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.769 7.989 1.880 1.00 0.00 H new ATOM 897 N THR A 63 0.492 5.482 2.754 1.00 0.00 N ATOM 898 CA THR A 63 -0.503 4.806 3.576 1.00 0.00 C ATOM 899 C THR A 63 -0.279 3.298 3.583 1.00 0.00 C ATOM 900 O THR A 63 -0.466 2.628 2.567 1.00 0.00 O ATOM 901 CB THR A 63 -1.933 5.098 3.085 1.00 0.00 C ATOM 902 OG1 THR A 63 -2.098 6.505 2.869 1.00 0.00 O ATOM 903 CG2 THR A 63 -2.963 4.610 4.092 1.00 0.00 C ATOM 0 H THR A 63 0.610 5.084 1.822 1.00 0.00 H new ATOM 0 HA THR A 63 -0.389 5.193 4.589 1.00 0.00 H new ATOM 0 HB THR A 63 -2.087 4.565 2.147 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.009 6.683 2.555 1.00 0.00 H new ATOM 0 HG21 THR A 63 -3.965 4.828 3.722 1.00 0.00 H new ATOM 0 HG22 THR A 63 -2.854 3.535 4.232 1.00 0.00 H new ATOM 0 HG23 THR A 63 -2.809 5.117 5.044 1.00 0.00 H new ATOM 911 N HIS A 64 0.123 2.768 4.734 1.00 0.00 N ATOM 912 CA HIS A 64 0.370 1.338 4.873 1.00 0.00 C ATOM 913 C HIS A 64 -0.870 0.619 5.395 1.00 0.00 C ATOM 914 O HIS A 64 -1.175 0.675 6.587 1.00 0.00 O ATOM 915 CB HIS A 64 1.551 1.092 5.813 1.00 0.00 C ATOM 916 CG HIS A 64 2.748 1.939 5.506 1.00 0.00 C ATOM 917 ND1 HIS A 64 3.595 1.688 4.448 1.00 0.00 N ATOM 918 CD2 HIS A 64 3.235 3.040 6.125 1.00 0.00 C ATOM 919 CE1 HIS A 64 4.554 2.597 4.430 1.00 0.00 C ATOM 920 NE2 HIS A 64 4.358 3.429 5.437 1.00 0.00 N ATOM 0 H HIS A 64 0.285 3.308 5.584 1.00 0.00 H new ATOM 0 HA HIS A 64 0.610 0.939 3.888 1.00 0.00 H new ATOM 0 HB2 HIS A 64 1.234 1.283 6.838 1.00 0.00 H new ATOM 0 HB3 HIS A 64 1.836 0.041 5.758 1.00 0.00 H new ATOM 0 HD2 HIS A 64 2.818 3.522 6.997 1.00 0.00 H new ATOM 0 HE1 HIS A 64 5.361 2.651 3.714 1.00 0.00 H new ATOM 0 HE2 HIS A 64 4.946 4.231 5.666 1.00 0.00 H new ATOM 929 N ILE A 65 -1.580 -0.055 4.496 1.00 0.00 N ATOM 930 CA ILE A 65 -2.786 -0.784 4.868 1.00 0.00 C ATOM 931 C ILE A 65 -2.502 -2.274 5.021 1.00 0.00 C ATOM 932 O ILE A 65 -2.312 -2.985 4.035 1.00 0.00 O ATOM 933 CB ILE A 65 -3.904 -0.590 3.827 1.00 0.00 C ATOM 934 CG1 ILE A 65 -4.112 0.899 3.539 1.00 0.00 C ATOM 935 CG2 ILE A 65 -5.197 -1.226 4.313 1.00 0.00 C ATOM 936 CD1 ILE A 65 -4.648 1.178 2.153 1.00 0.00 C ATOM 0 H ILE A 65 -1.341 -0.111 3.506 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.117 -0.380 5.825 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.606 -1.081 2.901 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.802 1.310 4.276 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.163 1.421 3.665 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.977 -1.080 3.566 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -5.041 -2.293 4.471 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.501 -0.761 5.251 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -4.770 2.253 2.020 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -3.948 0.797 1.409 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.612 0.685 2.030 1.00 0.00 H new ATOM 948 N LYS A 66 -2.477 -2.741 6.265 1.00 0.00 N ATOM 949 CA LYS A 66 -2.219 -4.147 6.549 1.00 0.00 C ATOM 950 C LYS A 66 -3.087 -5.047 5.674 1.00 0.00 C ATOM 951 O LYS A 66 -4.284 -4.809 5.516 1.00 0.00 O ATOM 952 CB LYS A 66 -2.484 -4.447 8.026 1.00 0.00 C ATOM 953 CG LYS A 66 -1.431 -3.876 8.960 1.00 0.00 C ATOM 954 CD LYS A 66 -1.347 -4.666 10.256 1.00 0.00 C ATOM 955 CE LYS A 66 -0.257 -4.126 11.169 1.00 0.00 C ATOM 956 NZ LYS A 66 -0.688 -2.886 11.873 1.00 0.00 N ATOM 0 H LYS A 66 -2.632 -2.165 7.093 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.172 -4.351 6.325 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.459 -4.044 8.301 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -2.535 -5.527 8.166 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -0.460 -3.885 8.464 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -1.666 -2.835 9.182 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -2.307 -4.626 10.771 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -1.149 -5.714 10.032 1.00 0.00 H new ATOM 0 HE2 LYS A 66 0.012 -4.886 11.903 1.00 0.00 H new ATOM 0 HE3 LYS A 66 0.638 -3.919 10.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 0.082 -2.549 12.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -0.920 -2.152 11.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -1.527 -3.090 12.452 1.00 0.00 H new ATOM 970 N VAL A 67 -2.474 -6.083 5.107 1.00 0.00 N ATOM 971 CA VAL A 67 -3.191 -7.019 4.251 1.00 0.00 C ATOM 972 C VAL A 67 -3.268 -8.401 4.891 1.00 0.00 C ATOM 973 O VAL A 67 -2.268 -9.112 4.980 1.00 0.00 O ATOM 974 CB VAL A 67 -2.521 -7.143 2.869 1.00 0.00 C ATOM 975 CG1 VAL A 67 -3.243 -8.174 2.015 1.00 0.00 C ATOM 976 CG2 VAL A 67 -2.486 -5.790 2.173 1.00 0.00 C ATOM 0 H VAL A 67 -1.483 -6.294 5.226 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.199 -6.623 4.124 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.494 -7.481 3.010 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -2.755 -8.247 1.043 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.211 -9.144 2.511 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.281 -7.871 1.878 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -2.010 -5.895 1.198 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -3.504 -5.422 2.042 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.920 -5.083 2.780 1.00 0.00 H new ATOM 986 N MET A 68 -4.464 -8.775 5.335 1.00 0.00 N ATOM 987 CA MET A 68 -4.672 -10.073 5.966 1.00 0.00 C ATOM 988 C MET A 68 -4.766 -11.178 4.917 1.00 0.00 C ATOM 989 O MET A 68 -5.440 -11.024 3.898 1.00 0.00 O ATOM 990 CB MET A 68 -5.944 -10.052 6.816 1.00 0.00 C ATOM 991 CG MET A 68 -5.731 -9.495 8.214 1.00 0.00 C ATOM 992 SD MET A 68 -5.832 -7.696 8.267 1.00 0.00 S ATOM 993 CE MET A 68 -7.559 -7.466 8.682 1.00 0.00 C ATOM 0 H MET A 68 -5.303 -8.198 5.269 1.00 0.00 H new ATOM 0 HA MET A 68 -3.817 -10.278 6.609 1.00 0.00 H new ATOM 0 HB2 MET A 68 -6.701 -9.455 6.307 1.00 0.00 H new ATOM 0 HB3 MET A 68 -6.336 -11.066 6.894 1.00 0.00 H new ATOM 0 HG2 MET A 68 -6.478 -9.917 8.887 1.00 0.00 H new ATOM 0 HG3 MET A 68 -4.755 -9.811 8.582 1.00 0.00 H new ATOM 0 HE1 MET A 68 -7.714 -6.450 9.044 1.00 0.00 H new ATOM 0 HE2 MET A 68 -8.171 -7.633 7.796 1.00 0.00 H new ATOM 0 HE3 MET A 68 -7.844 -8.175 9.459 1.00 0.00 H new ATOM 1003 N CYS A 69 -4.086 -12.289 5.175 1.00 0.00 N ATOM 1004 CA CYS A 69 -4.091 -13.420 4.253 1.00 0.00 C ATOM 1005 C CYS A 69 -4.579 -14.686 4.949 1.00 0.00 C ATOM 1006 O CYS A 69 -3.962 -15.158 5.903 1.00 0.00 O ATOM 1007 CB CYS A 69 -2.691 -13.644 3.680 1.00 0.00 C ATOM 1008 SG CYS A 69 -2.603 -14.953 2.435 1.00 0.00 S ATOM 0 H CYS A 69 -3.524 -12.431 6.014 1.00 0.00 H new ATOM 0 HA CYS A 69 -4.776 -13.189 3.437 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -2.338 -12.712 3.238 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -2.011 -13.887 4.496 1.00 0.00 H new ATOM 0 HG CYS A 69 -3.697 -14.958 1.732 1.00 0.00 H new ATOM 1043 N ARG A 73 -6.411 -16.465 0.404 1.00 0.00 N ATOM 1044 CA ARG A 73 -7.168 -15.274 0.039 1.00 0.00 C ATOM 1045 C ARG A 73 -6.571 -14.030 0.690 1.00 0.00 C ATOM 1046 O ARG A 73 -5.596 -14.115 1.437 1.00 0.00 O ATOM 1047 CB ARG A 73 -8.633 -15.427 0.453 1.00 0.00 C ATOM 1048 CG ARG A 73 -9.375 -16.505 -0.321 1.00 0.00 C ATOM 1049 CD ARG A 73 -10.538 -17.066 0.481 1.00 0.00 C ATOM 1050 NE ARG A 73 -10.886 -18.422 0.065 1.00 0.00 N ATOM 1051 CZ ARG A 73 -11.984 -19.054 0.466 1.00 0.00 C ATOM 1052 NH1 ARG A 73 -12.835 -18.456 1.289 1.00 0.00 N ATOM 1053 NH2 ARG A 73 -12.231 -20.287 0.044 1.00 0.00 N ATOM 0 HA ARG A 73 -7.114 -15.158 -1.043 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -8.679 -15.659 1.517 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -9.143 -14.474 0.312 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -9.745 -16.091 -1.259 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -8.686 -17.310 -0.577 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -10.281 -17.066 1.540 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -11.406 -16.417 0.364 1.00 0.00 H new ATOM 0 HE ARG A 73 -10.252 -18.910 -0.567 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -12.648 -17.508 1.616 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -13.677 -18.944 1.595 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -11.578 -20.750 -0.588 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -13.074 -20.772 0.352 1.00 0.00 H new ATOM 1067 N TYR A 74 -7.163 -12.876 0.402 1.00 0.00 N ATOM 1068 CA TYR A 74 -6.688 -11.614 0.958 1.00 0.00 C ATOM 1069 C TYR A 74 -7.856 -10.758 1.438 1.00 0.00 C ATOM 1070 O TYR A 74 -8.941 -10.782 0.858 1.00 0.00 O ATOM 1071 CB TYR A 74 -5.876 -10.847 -0.087 1.00 0.00 C ATOM 1072 CG TYR A 74 -4.692 -11.622 -0.621 1.00 0.00 C ATOM 1073 CD1 TYR A 74 -3.510 -11.711 0.104 1.00 0.00 C ATOM 1074 CD2 TYR A 74 -4.756 -12.265 -1.852 1.00 0.00 C ATOM 1075 CE1 TYR A 74 -2.427 -12.417 -0.381 1.00 0.00 C ATOM 1076 CE2 TYR A 74 -3.677 -12.974 -2.344 1.00 0.00 C ATOM 1077 CZ TYR A 74 -2.515 -13.047 -1.605 1.00 0.00 C ATOM 1078 OH TYR A 74 -1.439 -13.753 -2.091 1.00 0.00 O ATOM 0 H TYR A 74 -7.972 -12.788 -0.213 1.00 0.00 H new ATOM 0 HA TYR A 74 -6.049 -11.839 1.812 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -6.529 -10.579 -0.918 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -5.521 -9.915 0.353 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -3.437 -11.220 1.063 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -5.664 -12.209 -2.433 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -1.515 -12.476 0.195 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -3.743 -13.468 -3.302 1.00 0.00 H new ATOM 0 HH TYR A 74 -1.666 -14.136 -2.964 1.00 0.00 H new ATOM 1088 N THR A 75 -7.624 -10.000 2.506 1.00 0.00 N ATOM 1089 CA THR A 75 -8.655 -9.136 3.067 1.00 0.00 C ATOM 1090 C THR A 75 -8.038 -7.978 3.845 1.00 0.00 C ATOM 1091 O THR A 75 -6.865 -8.021 4.215 1.00 0.00 O ATOM 1092 CB THR A 75 -9.599 -9.919 3.999 1.00 0.00 C ATOM 1093 OG1 THR A 75 -10.761 -9.134 4.292 1.00 0.00 O ATOM 1094 CG2 THR A 75 -8.894 -10.294 5.294 1.00 0.00 C ATOM 0 H THR A 75 -6.732 -9.967 2.999 1.00 0.00 H new ATOM 0 HA THR A 75 -9.229 -8.743 2.228 1.00 0.00 H new ATOM 0 HB THR A 75 -9.899 -10.835 3.489 1.00 0.00 H new ATOM 0 HG1 THR A 75 -10.997 -9.239 5.237 1.00 0.00 H new ATOM 0 HG21 THR A 75 -9.581 -10.846 5.936 1.00 0.00 H new ATOM 0 HG22 THR A 75 -8.028 -10.916 5.070 1.00 0.00 H new ATOM 0 HG23 THR A 75 -8.568 -9.389 5.806 1.00 0.00 H new ATOM 1102 N VAL A 76 -8.836 -6.944 4.090 1.00 0.00 N ATOM 1103 CA VAL A 76 -8.369 -5.775 4.826 1.00 0.00 C ATOM 1104 C VAL A 76 -9.500 -5.143 5.630 1.00 0.00 C ATOM 1105 O VAL A 76 -10.447 -4.597 5.064 1.00 0.00 O ATOM 1106 CB VAL A 76 -7.773 -4.717 3.878 1.00 0.00 C ATOM 1107 CG1 VAL A 76 -6.528 -5.255 3.192 1.00 0.00 C ATOM 1108 CG2 VAL A 76 -8.808 -4.277 2.854 1.00 0.00 C ATOM 0 H VAL A 76 -9.809 -6.892 3.790 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.592 -6.120 5.508 1.00 0.00 H new ATOM 0 HB VAL A 76 -7.486 -3.847 4.468 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.121 -4.493 2.527 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -5.783 -5.516 3.943 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.786 -6.142 2.614 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -8.370 -3.529 2.192 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -9.128 -5.138 2.267 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -9.668 -3.848 3.368 1.00 0.00 H new ATOM 1118 N GLY A 77 -9.394 -5.220 6.952 1.00 0.00 N ATOM 1119 CA GLY A 77 -10.414 -4.651 7.813 1.00 0.00 C ATOM 1120 C GLY A 77 -11.673 -5.494 7.854 1.00 0.00 C ATOM 1121 O GLY A 77 -12.141 -5.872 8.929 1.00 0.00 O ATOM 0 H GLY A 77 -8.619 -5.667 7.443 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -10.017 -4.547 8.823 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -10.662 -3.649 7.464 1.00 0.00 H new ATOM 1125 N GLY A 78 -12.226 -5.788 6.682 1.00 0.00 N ATOM 1126 CA GLY A 78 -13.435 -6.588 6.611 1.00 0.00 C ATOM 1127 C GLY A 78 -13.145 -8.060 6.392 1.00 0.00 C ATOM 1128 O GLY A 78 -11.987 -8.481 6.409 1.00 0.00 O ATOM 0 H GLY A 78 -11.858 -5.486 5.780 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -14.002 -6.466 7.534 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -14.063 -6.220 5.800 1.00 0.00 H new ATOM 1132 N LEU A 79 -14.197 -8.844 6.188 1.00 0.00 N ATOM 1133 CA LEU A 79 -14.049 -10.279 5.965 1.00 0.00 C ATOM 1134 C LEU A 79 -13.908 -10.588 4.479 1.00 0.00 C ATOM 1135 O LEU A 79 -13.403 -11.645 4.101 1.00 0.00 O ATOM 1136 CB LEU A 79 -15.251 -11.030 6.542 1.00 0.00 C ATOM 1137 CG LEU A 79 -16.623 -10.606 6.016 1.00 0.00 C ATOM 1138 CD1 LEU A 79 -16.944 -11.330 4.718 1.00 0.00 C ATOM 1139 CD2 LEU A 79 -17.699 -10.873 7.058 1.00 0.00 C ATOM 0 H LEU A 79 -15.161 -8.512 6.172 1.00 0.00 H new ATOM 0 HA LEU A 79 -13.143 -10.609 6.473 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -15.120 -12.093 6.342 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -15.245 -10.907 7.625 1.00 0.00 H new ATOM 0 HG LEU A 79 -16.599 -9.535 5.814 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -17.924 -11.016 4.359 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -16.189 -11.088 3.970 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -16.950 -12.406 4.893 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -18.669 -10.565 6.667 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -17.723 -11.937 7.292 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -17.477 -10.308 7.963 1.00 0.00 H new ATOM 1151 N GLU A 80 -14.355 -9.657 3.640 1.00 0.00 N ATOM 1152 CA GLU A 80 -14.275 -9.831 2.195 1.00 0.00 C ATOM 1153 C GLU A 80 -12.930 -10.427 1.791 1.00 0.00 C ATOM 1154 O GLU A 80 -11.925 -9.721 1.709 1.00 0.00 O ATOM 1155 CB GLU A 80 -14.486 -8.491 1.486 1.00 0.00 C ATOM 1156 CG GLU A 80 -15.948 -8.138 1.274 1.00 0.00 C ATOM 1157 CD GLU A 80 -16.189 -6.641 1.246 1.00 0.00 C ATOM 1158 OE1 GLU A 80 -16.417 -6.057 2.327 1.00 0.00 O ATOM 1159 OE2 GLU A 80 -16.149 -6.053 0.144 1.00 0.00 O ATOM 0 H GLU A 80 -14.775 -8.776 3.937 1.00 0.00 H new ATOM 0 HA GLU A 80 -15.063 -10.522 1.894 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -14.012 -7.702 2.070 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -13.984 -8.518 0.519 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -16.291 -8.575 0.336 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -16.545 -8.583 2.070 1.00 0.00 H new ATOM 1166 N THR A 81 -12.919 -11.732 1.541 1.00 0.00 N ATOM 1167 CA THR A 81 -11.698 -12.424 1.147 1.00 0.00 C ATOM 1168 C THR A 81 -11.646 -12.633 -0.362 1.00 0.00 C ATOM 1169 O THR A 81 -12.291 -13.534 -0.898 1.00 0.00 O ATOM 1170 CB THR A 81 -11.578 -13.792 1.846 1.00 0.00 C ATOM 1171 OG1 THR A 81 -12.851 -14.446 1.867 1.00 0.00 O ATOM 1172 CG2 THR A 81 -11.063 -13.628 3.269 1.00 0.00 C ATOM 0 H THR A 81 -13.742 -12.331 1.604 1.00 0.00 H new ATOM 0 HA THR A 81 -10.864 -11.792 1.453 1.00 0.00 H new ATOM 0 HB THR A 81 -10.868 -14.400 1.286 1.00 0.00 H new ATOM 0 HG1 THR A 81 -13.238 -14.437 0.967 1.00 0.00 H new ATOM 0 HG21 THR A 81 -10.986 -14.606 3.743 1.00 0.00 H new ATOM 0 HG22 THR A 81 -10.080 -13.157 3.248 1.00 0.00 H new ATOM 0 HG23 THR A 81 -11.753 -13.003 3.836 1.00 0.00 H new ATOM 1180 N PHE A 82 -10.873 -11.794 -1.044 1.00 0.00 N ATOM 1181 CA PHE A 82 -10.738 -11.886 -2.493 1.00 0.00 C ATOM 1182 C PHE A 82 -9.972 -13.145 -2.889 1.00 0.00 C ATOM 1183 O PHE A 82 -9.245 -13.722 -2.080 1.00 0.00 O ATOM 1184 CB PHE A 82 -10.022 -10.648 -3.039 1.00 0.00 C ATOM 1185 CG PHE A 82 -10.671 -9.354 -2.637 1.00 0.00 C ATOM 1186 CD1 PHE A 82 -10.432 -8.803 -1.389 1.00 0.00 C ATOM 1187 CD2 PHE A 82 -11.521 -8.691 -3.507 1.00 0.00 C ATOM 1188 CE1 PHE A 82 -11.027 -7.613 -1.016 1.00 0.00 C ATOM 1189 CE2 PHE A 82 -12.119 -7.500 -3.139 1.00 0.00 C ATOM 1190 CZ PHE A 82 -11.872 -6.961 -1.892 1.00 0.00 C ATOM 0 H PHE A 82 -10.331 -11.043 -0.617 1.00 0.00 H new ATOM 0 HA PHE A 82 -11.738 -11.939 -2.923 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -8.990 -10.651 -2.689 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -9.990 -10.707 -4.127 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -9.773 -9.309 -0.699 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -11.719 -9.109 -4.483 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -10.831 -7.193 -0.040 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -12.779 -6.992 -3.826 1.00 0.00 H new ATOM 0 HZ PHE A 82 -12.339 -6.031 -1.602 1.00 0.00 H new ATOM 1200 N ASP A 83 -10.143 -13.566 -4.137 1.00 0.00 N ATOM 1201 CA ASP A 83 -9.468 -14.757 -4.642 1.00 0.00 C ATOM 1202 C ASP A 83 -7.953 -14.591 -4.580 1.00 0.00 C ATOM 1203 O ASP A 83 -7.225 -15.541 -4.295 1.00 0.00 O ATOM 1204 CB ASP A 83 -9.904 -15.046 -6.079 1.00 0.00 C ATOM 1205 CG ASP A 83 -11.167 -15.882 -6.143 1.00 0.00 C ATOM 1206 OD1 ASP A 83 -12.264 -15.318 -5.943 1.00 0.00 O ATOM 1207 OD2 ASP A 83 -11.059 -17.101 -6.396 1.00 0.00 O ATOM 0 H ASP A 83 -10.743 -13.101 -4.818 1.00 0.00 H new ATOM 0 HA ASP A 83 -9.749 -15.599 -4.009 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -10.068 -14.104 -6.602 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -9.101 -15.565 -6.602 1.00 0.00 H new ATOM 1212 N SER A 84 -7.485 -13.376 -4.849 1.00 0.00 N ATOM 1213 CA SER A 84 -6.056 -13.086 -4.829 1.00 0.00 C ATOM 1214 C SER A 84 -5.809 -11.583 -4.748 1.00 0.00 C ATOM 1215 O SER A 84 -6.729 -10.780 -4.905 1.00 0.00 O ATOM 1216 CB SER A 84 -5.380 -13.658 -6.077 1.00 0.00 C ATOM 1217 OG SER A 84 -4.010 -13.923 -5.839 1.00 0.00 O ATOM 0 H SER A 84 -8.074 -12.577 -5.083 1.00 0.00 H new ATOM 0 HA SER A 84 -5.627 -13.556 -3.944 1.00 0.00 H new ATOM 0 HB2 SER A 84 -5.884 -14.576 -6.379 1.00 0.00 H new ATOM 0 HB3 SER A 84 -5.479 -12.954 -6.903 1.00 0.00 H new ATOM 0 HG SER A 84 -3.602 -14.289 -6.651 1.00 0.00 H new ATOM 1223 N LEU A 85 -4.558 -11.208 -4.499 1.00 0.00 N ATOM 1224 CA LEU A 85 -4.186 -9.802 -4.396 1.00 0.00 C ATOM 1225 C LEU A 85 -4.590 -9.039 -5.654 1.00 0.00 C ATOM 1226 O LEU A 85 -5.013 -7.884 -5.584 1.00 0.00 O ATOM 1227 CB LEU A 85 -2.681 -9.667 -4.164 1.00 0.00 C ATOM 1228 CG LEU A 85 -2.219 -9.709 -2.707 1.00 0.00 C ATOM 1229 CD1 LEU A 85 -0.708 -9.562 -2.621 1.00 0.00 C ATOM 1230 CD2 LEU A 85 -2.909 -8.622 -1.898 1.00 0.00 C ATOM 0 H LEU A 85 -3.785 -11.859 -4.365 1.00 0.00 H new ATOM 0 HA LEU A 85 -4.717 -9.372 -3.546 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.177 -10.467 -4.707 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -2.349 -8.726 -4.602 1.00 0.00 H new ATOM 0 HG LEU A 85 -2.493 -10.677 -2.287 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.398 -9.594 -1.576 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.232 -10.377 -3.166 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.410 -8.609 -3.059 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.568 -8.667 -0.864 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.666 -7.646 -2.318 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -3.988 -8.773 -1.931 1.00 0.00 H new ATOM 1242 N THR A 86 -4.458 -9.692 -6.804 1.00 0.00 N ATOM 1243 CA THR A 86 -4.809 -9.076 -8.077 1.00 0.00 C ATOM 1244 C THR A 86 -6.271 -8.643 -8.094 1.00 0.00 C ATOM 1245 O THR A 86 -6.629 -7.657 -8.738 1.00 0.00 O ATOM 1246 CB THR A 86 -4.556 -10.035 -9.255 1.00 0.00 C ATOM 1247 OG1 THR A 86 -3.200 -10.494 -9.229 1.00 0.00 O ATOM 1248 CG2 THR A 86 -4.840 -9.349 -10.583 1.00 0.00 C ATOM 0 H THR A 86 -4.110 -10.648 -6.880 1.00 0.00 H new ATOM 0 HA THR A 86 -4.172 -8.199 -8.189 1.00 0.00 H new ATOM 0 HB THR A 86 -5.230 -10.886 -9.154 1.00 0.00 H new ATOM 0 HG1 THR A 86 -3.047 -11.105 -9.980 1.00 0.00 H new ATOM 0 HG21 THR A 86 -4.654 -10.046 -11.400 1.00 0.00 H new ATOM 0 HG22 THR A 86 -5.881 -9.027 -10.611 1.00 0.00 H new ATOM 0 HG23 THR A 86 -4.189 -8.482 -10.691 1.00 0.00 H new ATOM 1256 N ASP A 87 -7.111 -9.386 -7.382 1.00 0.00 N ATOM 1257 CA ASP A 87 -8.535 -9.078 -7.314 1.00 0.00 C ATOM 1258 C ASP A 87 -8.820 -8.067 -6.207 1.00 0.00 C ATOM 1259 O ASP A 87 -9.520 -7.077 -6.422 1.00 0.00 O ATOM 1260 CB ASP A 87 -9.343 -10.354 -7.078 1.00 0.00 C ATOM 1261 CG ASP A 87 -10.754 -10.256 -7.626 1.00 0.00 C ATOM 1262 OD1 ASP A 87 -10.922 -9.703 -8.733 1.00 0.00 O ATOM 1263 OD2 ASP A 87 -11.689 -10.733 -6.949 1.00 0.00 O ATOM 0 H ASP A 87 -6.831 -10.206 -6.844 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.833 -8.640 -8.266 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -8.832 -11.196 -7.546 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -9.385 -10.561 -6.009 1.00 0.00 H new ATOM 1268 N LEU A 88 -8.275 -8.324 -5.024 1.00 0.00 N ATOM 1269 CA LEU A 88 -8.471 -7.439 -3.882 1.00 0.00 C ATOM 1270 C LEU A 88 -7.991 -6.026 -4.201 1.00 0.00 C ATOM 1271 O LEU A 88 -8.560 -5.044 -3.723 1.00 0.00 O ATOM 1272 CB LEU A 88 -7.728 -7.978 -2.658 1.00 0.00 C ATOM 1273 CG LEU A 88 -7.551 -7.000 -1.496 1.00 0.00 C ATOM 1274 CD1 LEU A 88 -7.519 -7.747 -0.171 1.00 0.00 C ATOM 1275 CD2 LEU A 88 -6.283 -6.180 -1.678 1.00 0.00 C ATOM 0 H LEU A 88 -7.693 -9.139 -4.830 1.00 0.00 H new ATOM 0 HA LEU A 88 -9.538 -7.401 -3.662 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -8.262 -8.855 -2.291 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -6.742 -8.315 -2.976 1.00 0.00 H new ATOM 0 HG LEU A 88 -8.402 -6.319 -1.486 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.392 -7.035 0.645 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -8.454 -8.290 -0.037 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -6.687 -8.451 -0.170 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.173 -5.489 -0.842 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.421 -6.846 -1.714 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.345 -5.616 -2.609 1.00 0.00 H new ATOM 1287 N VAL A 89 -6.943 -5.931 -5.012 1.00 0.00 N ATOM 1288 CA VAL A 89 -6.388 -4.639 -5.398 1.00 0.00 C ATOM 1289 C VAL A 89 -7.165 -4.033 -6.561 1.00 0.00 C ATOM 1290 O VAL A 89 -7.592 -2.880 -6.501 1.00 0.00 O ATOM 1291 CB VAL A 89 -4.904 -4.761 -5.793 1.00 0.00 C ATOM 1292 CG1 VAL A 89 -4.366 -3.418 -6.263 1.00 0.00 C ATOM 1293 CG2 VAL A 89 -4.085 -5.295 -4.628 1.00 0.00 C ATOM 0 H VAL A 89 -6.460 -6.734 -5.415 1.00 0.00 H new ATOM 0 HA VAL A 89 -6.472 -3.986 -4.530 1.00 0.00 H new ATOM 0 HB VAL A 89 -4.822 -5.468 -6.619 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.316 -3.523 -6.538 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -4.936 -3.080 -7.129 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -4.459 -2.687 -5.460 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -3.039 -5.375 -4.925 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -4.171 -4.615 -3.781 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.457 -6.279 -4.342 1.00 0.00 H new ATOM 1303 N GLU A 90 -7.344 -4.818 -7.618 1.00 0.00 N ATOM 1304 CA GLU A 90 -8.071 -4.357 -8.796 1.00 0.00 C ATOM 1305 C GLU A 90 -9.387 -3.694 -8.399 1.00 0.00 C ATOM 1306 O GLU A 90 -9.687 -2.579 -8.828 1.00 0.00 O ATOM 1307 CB GLU A 90 -8.342 -5.527 -9.744 1.00 0.00 C ATOM 1308 CG GLU A 90 -7.204 -5.801 -10.714 1.00 0.00 C ATOM 1309 CD GLU A 90 -7.036 -4.700 -11.742 1.00 0.00 C ATOM 1310 OE1 GLU A 90 -7.961 -3.873 -11.883 1.00 0.00 O ATOM 1311 OE2 GLU A 90 -5.979 -4.664 -12.406 1.00 0.00 O ATOM 0 H GLU A 90 -6.997 -5.775 -7.684 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.453 -3.619 -9.308 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -8.530 -6.425 -9.155 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -9.250 -5.321 -10.311 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -6.275 -5.916 -10.155 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -7.387 -6.746 -11.226 1.00 0.00 H new ATOM 1318 N HIS A 91 -10.168 -4.387 -7.578 1.00 0.00 N ATOM 1319 CA HIS A 91 -11.452 -3.866 -7.123 1.00 0.00 C ATOM 1320 C HIS A 91 -11.296 -2.460 -6.551 1.00 0.00 C ATOM 1321 O HIS A 91 -12.165 -1.606 -6.729 1.00 0.00 O ATOM 1322 CB HIS A 91 -12.059 -4.793 -6.069 1.00 0.00 C ATOM 1323 CG HIS A 91 -13.546 -4.673 -5.950 1.00 0.00 C ATOM 1324 ND1 HIS A 91 -14.419 -5.627 -6.429 1.00 0.00 N ATOM 1325 CD2 HIS A 91 -14.315 -3.704 -5.400 1.00 0.00 C ATOM 1326 CE1 HIS A 91 -15.661 -5.249 -6.181 1.00 0.00 C ATOM 1327 NE2 HIS A 91 -15.625 -4.085 -5.557 1.00 0.00 N ATOM 0 H HIS A 91 -9.935 -5.311 -7.214 1.00 0.00 H new ATOM 0 HA HIS A 91 -12.121 -3.818 -7.982 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -11.805 -5.824 -6.314 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -11.607 -4.575 -5.102 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -13.964 -2.799 -4.926 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -16.553 -5.798 -6.444 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -16.438 -3.555 -5.243 1.00 0.00 H new ATOM 1336 N PHE A 92 -10.183 -2.226 -5.863 1.00 0.00 N ATOM 1337 CA PHE A 92 -9.914 -0.925 -5.263 1.00 0.00 C ATOM 1338 C PHE A 92 -9.366 0.050 -6.302 1.00 0.00 C ATOM 1339 O PHE A 92 -9.556 1.261 -6.196 1.00 0.00 O ATOM 1340 CB PHE A 92 -8.921 -1.067 -4.108 1.00 0.00 C ATOM 1341 CG PHE A 92 -9.459 -1.857 -2.949 1.00 0.00 C ATOM 1342 CD1 PHE A 92 -10.712 -1.578 -2.426 1.00 0.00 C ATOM 1343 CD2 PHE A 92 -8.713 -2.877 -2.382 1.00 0.00 C ATOM 1344 CE1 PHE A 92 -11.210 -2.302 -1.360 1.00 0.00 C ATOM 1345 CE2 PHE A 92 -9.207 -3.606 -1.316 1.00 0.00 C ATOM 1346 CZ PHE A 92 -10.456 -3.316 -0.803 1.00 0.00 C ATOM 0 H PHE A 92 -9.453 -2.921 -5.707 1.00 0.00 H new ATOM 0 HA PHE A 92 -10.854 -0.529 -4.878 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -8.015 -1.548 -4.476 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -8.636 -0.074 -3.760 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -11.306 -0.785 -2.857 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -7.734 -3.106 -2.777 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -12.188 -2.075 -0.963 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -8.617 -4.401 -0.885 1.00 0.00 H new ATOM 0 HZ PHE A 92 -10.842 -3.881 0.032 1.00 0.00 H new ATOM 1356 N LYS A 93 -8.684 -0.489 -7.308 1.00 0.00 N ATOM 1357 CA LYS A 93 -8.109 0.331 -8.367 1.00 0.00 C ATOM 1358 C LYS A 93 -9.187 1.148 -9.071 1.00 0.00 C ATOM 1359 O LYS A 93 -8.909 2.203 -9.640 1.00 0.00 O ATOM 1360 CB LYS A 93 -7.379 -0.552 -9.383 1.00 0.00 C ATOM 1361 CG LYS A 93 -6.091 -1.154 -8.850 1.00 0.00 C ATOM 1362 CD LYS A 93 -5.383 -1.983 -9.909 1.00 0.00 C ATOM 1363 CE LYS A 93 -4.566 -1.107 -10.847 1.00 0.00 C ATOM 1364 NZ LYS A 93 -5.401 -0.536 -11.940 1.00 0.00 N ATOM 0 H LYS A 93 -8.516 -1.490 -7.411 1.00 0.00 H new ATOM 0 HA LYS A 93 -7.396 1.019 -7.912 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -8.044 -1.357 -9.697 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -7.154 0.039 -10.270 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -5.430 -0.357 -8.508 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -6.311 -1.779 -7.984 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -4.730 -2.710 -9.427 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -6.118 -2.547 -10.483 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -4.107 -0.297 -10.280 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -3.755 -1.694 -11.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -4.879 -0.586 -12.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -6.284 -1.079 -12.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -5.624 0.457 -11.724 1.00 0.00 H new ATOM 1378 N LYS A 94 -10.420 0.654 -9.026 1.00 0.00 N ATOM 1379 CA LYS A 94 -11.543 1.339 -9.656 1.00 0.00 C ATOM 1380 C LYS A 94 -12.380 2.079 -8.618 1.00 0.00 C ATOM 1381 O LYS A 94 -12.721 3.249 -8.800 1.00 0.00 O ATOM 1382 CB LYS A 94 -12.418 0.337 -10.413 1.00 0.00 C ATOM 1383 CG LYS A 94 -12.858 -0.846 -9.568 1.00 0.00 C ATOM 1384 CD LYS A 94 -13.683 -1.833 -10.377 1.00 0.00 C ATOM 1385 CE LYS A 94 -13.757 -3.190 -9.693 1.00 0.00 C ATOM 1386 NZ LYS A 94 -14.929 -3.982 -10.158 1.00 0.00 N ATOM 0 H LYS A 94 -10.667 -0.219 -8.559 1.00 0.00 H new ATOM 0 HA LYS A 94 -11.143 2.068 -10.361 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -13.302 0.852 -10.791 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -11.868 -0.031 -11.280 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -11.981 -1.350 -9.162 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -13.443 -0.491 -8.720 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -14.690 -1.439 -10.516 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -13.246 -1.948 -11.369 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -12.841 -3.747 -9.891 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -13.818 -3.050 -8.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -14.944 -4.900 -9.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -15.805 -3.463 -9.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -14.858 -4.138 -11.184 1.00 0.00 H new ATOM 1400 N THR A 95 -12.708 1.392 -7.528 1.00 0.00 N ATOM 1401 CA THR A 95 -13.504 1.985 -6.461 1.00 0.00 C ATOM 1402 C THR A 95 -12.627 2.765 -5.488 1.00 0.00 C ATOM 1403 O THR A 95 -12.929 3.906 -5.142 1.00 0.00 O ATOM 1404 CB THR A 95 -14.288 0.912 -5.682 1.00 0.00 C ATOM 1405 OG1 THR A 95 -13.385 0.104 -4.919 1.00 0.00 O ATOM 1406 CG2 THR A 95 -15.087 0.030 -6.630 1.00 0.00 C ATOM 0 H THR A 95 -12.434 0.424 -7.361 1.00 0.00 H new ATOM 0 HA THR A 95 -14.210 2.667 -6.935 1.00 0.00 H new ATOM 0 HB THR A 95 -14.981 1.417 -5.009 1.00 0.00 H new ATOM 0 HG1 THR A 95 -12.925 -0.524 -5.514 1.00 0.00 H new ATOM 0 HG21 THR A 95 -15.632 -0.720 -6.057 1.00 0.00 H new ATOM 0 HG22 THR A 95 -15.793 0.643 -7.189 1.00 0.00 H new ATOM 0 HG23 THR A 95 -14.409 -0.466 -7.324 1.00 0.00 H new ATOM 1414 N GLY A 96 -11.537 2.141 -5.051 1.00 0.00 N ATOM 1415 CA GLY A 96 -10.633 2.792 -4.122 1.00 0.00 C ATOM 1416 C GLY A 96 -10.789 2.278 -2.704 1.00 0.00 C ATOM 1417 O GLY A 96 -11.719 1.528 -2.407 1.00 0.00 O ATOM 0 H GLY A 96 -11.264 1.197 -5.324 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -9.605 2.636 -4.451 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -10.813 3.867 -4.137 1.00 0.00 H new ATOM 1421 N ILE A 97 -9.875 2.680 -1.827 1.00 0.00 N ATOM 1422 CA ILE A 97 -9.916 2.254 -0.433 1.00 0.00 C ATOM 1423 C ILE A 97 -10.266 3.419 0.487 1.00 0.00 C ATOM 1424 O ILE A 97 -9.581 4.441 0.499 1.00 0.00 O ATOM 1425 CB ILE A 97 -8.570 1.651 0.010 1.00 0.00 C ATOM 1426 CG1 ILE A 97 -8.233 0.422 -0.836 1.00 0.00 C ATOM 1427 CG2 ILE A 97 -8.614 1.288 1.488 1.00 0.00 C ATOM 1428 CD1 ILE A 97 -6.882 -0.178 -0.519 1.00 0.00 C ATOM 0 H ILE A 97 -9.098 3.299 -2.057 1.00 0.00 H new ATOM 0 HA ILE A 97 -10.690 1.490 -0.358 1.00 0.00 H new ATOM 0 HB ILE A 97 -7.788 2.396 -0.139 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -9.002 -0.335 -0.685 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -8.261 0.698 -1.890 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -7.656 0.863 1.787 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -8.813 2.183 2.077 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -9.404 0.557 1.660 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -6.710 -1.045 -1.157 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -6.103 0.564 -0.698 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -6.857 -0.486 0.526 1.00 0.00 H new ATOM 1440 N GLU A 98 -11.336 3.255 1.258 1.00 0.00 N ATOM 1441 CA GLU A 98 -11.776 4.293 2.183 1.00 0.00 C ATOM 1442 C GLU A 98 -11.235 4.037 3.587 1.00 0.00 C ATOM 1443 O GLU A 98 -11.508 2.999 4.189 1.00 0.00 O ATOM 1444 CB GLU A 98 -13.305 4.360 2.220 1.00 0.00 C ATOM 1445 CG GLU A 98 -13.847 5.368 3.219 1.00 0.00 C ATOM 1446 CD GLU A 98 -15.303 5.126 3.561 1.00 0.00 C ATOM 1447 OE1 GLU A 98 -16.081 4.789 2.643 1.00 0.00 O ATOM 1448 OE2 GLU A 98 -15.667 5.275 4.746 1.00 0.00 O ATOM 0 H GLU A 98 -11.914 2.414 1.261 1.00 0.00 H new ATOM 0 HA GLU A 98 -11.385 5.247 1.829 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -13.673 4.613 1.226 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -13.698 3.373 2.464 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -13.252 5.326 4.131 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -13.736 6.373 2.812 1.00 0.00 H new ATOM 1455 N GLU A 99 -10.463 4.991 4.100 1.00 0.00 N ATOM 1456 CA GLU A 99 -9.881 4.867 5.431 1.00 0.00 C ATOM 1457 C GLU A 99 -10.933 5.115 6.509 1.00 0.00 C ATOM 1458 O GLU A 99 -11.803 5.972 6.357 1.00 0.00 O ATOM 1459 CB GLU A 99 -8.722 5.853 5.598 1.00 0.00 C ATOM 1460 CG GLU A 99 -7.376 5.286 5.175 1.00 0.00 C ATOM 1461 CD GLU A 99 -6.273 6.325 5.201 1.00 0.00 C ATOM 1462 OE1 GLU A 99 -5.913 6.782 6.305 1.00 0.00 O ATOM 1463 OE2 GLU A 99 -5.769 6.682 4.115 1.00 0.00 O ATOM 0 H GLU A 99 -10.227 5.856 3.615 1.00 0.00 H new ATOM 0 HA GLU A 99 -9.503 3.851 5.542 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -8.930 6.748 5.012 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -8.665 6.161 6.642 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -7.109 4.461 5.836 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -7.459 4.874 4.169 1.00 0.00 H new ATOM 1470 N ALA A 100 -10.845 4.358 7.598 1.00 0.00 N ATOM 1471 CA ALA A 100 -11.786 4.494 8.702 1.00 0.00 C ATOM 1472 C ALA A 100 -12.056 5.963 9.015 1.00 0.00 C ATOM 1473 O ALA A 100 -13.156 6.327 9.427 1.00 0.00 O ATOM 1474 CB ALA A 100 -11.260 3.778 9.936 1.00 0.00 C ATOM 0 H ALA A 100 -10.131 3.644 7.739 1.00 0.00 H new ATOM 0 HA ALA A 100 -12.728 4.034 8.403 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -11.974 3.888 10.753 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -11.125 2.720 9.713 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -10.304 4.212 10.229 1.00 0.00 H new ATOM 1480 N SER A 101 -11.042 6.800 8.818 1.00 0.00 N ATOM 1481 CA SER A 101 -11.168 8.228 9.083 1.00 0.00 C ATOM 1482 C SER A 101 -12.055 8.899 8.038 1.00 0.00 C ATOM 1483 O SER A 101 -12.909 9.720 8.368 1.00 0.00 O ATOM 1484 CB SER A 101 -9.789 8.889 9.098 1.00 0.00 C ATOM 1485 OG SER A 101 -9.789 10.052 9.909 1.00 0.00 O ATOM 0 H SER A 101 -10.125 6.514 8.476 1.00 0.00 H new ATOM 0 HA SER A 101 -11.633 8.351 10.061 1.00 0.00 H new ATOM 0 HB2 SER A 101 -9.048 8.182 9.471 1.00 0.00 H new ATOM 0 HB3 SER A 101 -9.497 9.151 8.081 1.00 0.00 H new ATOM 0 HG SER A 101 -8.896 10.455 9.903 1.00 0.00 H new ATOM 1491 N GLY A 102 -11.844 8.543 6.774 1.00 0.00 N ATOM 1492 CA GLY A 102 -12.630 9.118 5.700 1.00 0.00 C ATOM 1493 C GLY A 102 -11.844 9.246 4.410 1.00 0.00 C ATOM 1494 O GLY A 102 -12.422 9.290 3.325 1.00 0.00 O ATOM 0 H GLY A 102 -11.142 7.866 6.476 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -13.510 8.498 5.526 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -12.988 10.102 6.003 1.00 0.00 H new ATOM 1498 N ALA A 103 -10.521 9.308 4.530 1.00 0.00 N ATOM 1499 CA ALA A 103 -9.655 9.432 3.363 1.00 0.00 C ATOM 1500 C ALA A 103 -10.014 8.398 2.301 1.00 0.00 C ATOM 1501 O ALA A 103 -10.651 7.387 2.595 1.00 0.00 O ATOM 1502 CB ALA A 103 -8.197 9.287 3.773 1.00 0.00 C ATOM 0 H ALA A 103 -10.027 9.274 5.422 1.00 0.00 H new ATOM 0 HA ALA A 103 -9.804 10.422 2.932 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -7.561 9.381 2.893 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -7.942 10.066 4.491 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -8.043 8.309 4.229 1.00 0.00 H new ATOM 1508 N PHE A 104 -9.601 8.660 1.065 1.00 0.00 N ATOM 1509 CA PHE A 104 -9.880 7.753 -0.042 1.00 0.00 C ATOM 1510 C PHE A 104 -8.627 7.513 -0.878 1.00 0.00 C ATOM 1511 O PHE A 104 -8.213 8.372 -1.658 1.00 0.00 O ATOM 1512 CB PHE A 104 -10.995 8.319 -0.924 1.00 0.00 C ATOM 1513 CG PHE A 104 -12.372 7.907 -0.490 1.00 0.00 C ATOM 1514 CD1 PHE A 104 -13.053 8.629 0.477 1.00 0.00 C ATOM 1515 CD2 PHE A 104 -12.985 6.797 -1.048 1.00 0.00 C ATOM 1516 CE1 PHE A 104 -14.321 8.252 0.879 1.00 0.00 C ATOM 1517 CE2 PHE A 104 -14.253 6.415 -0.650 1.00 0.00 C ATOM 1518 CZ PHE A 104 -14.921 7.143 0.316 1.00 0.00 C ATOM 0 H PHE A 104 -9.072 9.493 0.805 1.00 0.00 H new ATOM 0 HA PHE A 104 -10.205 6.800 0.375 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -10.932 9.407 -0.921 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -10.834 7.994 -1.952 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -12.588 9.496 0.922 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -12.467 6.224 -1.802 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -14.842 8.824 1.633 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -14.721 5.549 -1.094 1.00 0.00 H new ATOM 0 HZ PHE A 104 -15.910 6.845 0.630 1.00 0.00 H new ATOM 1528 N VAL A 105 -8.025 6.340 -0.710 1.00 0.00 N ATOM 1529 CA VAL A 105 -6.820 5.985 -1.448 1.00 0.00 C ATOM 1530 C VAL A 105 -7.163 5.427 -2.825 1.00 0.00 C ATOM 1531 O VAL A 105 -8.102 4.646 -2.973 1.00 0.00 O ATOM 1532 CB VAL A 105 -5.976 4.949 -0.682 1.00 0.00 C ATOM 1533 CG1 VAL A 105 -4.602 4.804 -1.317 1.00 0.00 C ATOM 1534 CG2 VAL A 105 -5.857 5.339 0.784 1.00 0.00 C ATOM 0 H VAL A 105 -8.353 5.619 -0.068 1.00 0.00 H new ATOM 0 HA VAL A 105 -6.240 6.900 -1.564 1.00 0.00 H new ATOM 0 HB VAL A 105 -6.479 3.983 -0.738 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -4.021 4.068 -0.762 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.712 4.475 -2.350 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -4.088 5.765 -1.294 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -5.258 4.596 1.311 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -5.378 6.315 0.863 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -6.851 5.386 1.230 1.00 0.00 H new ATOM 1544 N TYR A 106 -6.394 5.833 -3.829 1.00 0.00 N ATOM 1545 CA TYR A 106 -6.618 5.375 -5.195 1.00 0.00 C ATOM 1546 C TYR A 106 -5.356 4.737 -5.769 1.00 0.00 C ATOM 1547 O TYR A 106 -4.270 5.317 -5.709 1.00 0.00 O ATOM 1548 CB TYR A 106 -7.060 6.541 -6.081 1.00 0.00 C ATOM 1549 CG TYR A 106 -8.234 7.313 -5.523 1.00 0.00 C ATOM 1550 CD1 TYR A 106 -9.249 6.667 -4.826 1.00 0.00 C ATOM 1551 CD2 TYR A 106 -8.329 8.690 -5.690 1.00 0.00 C ATOM 1552 CE1 TYR A 106 -10.323 7.369 -4.315 1.00 0.00 C ATOM 1553 CE2 TYR A 106 -9.399 9.399 -5.181 1.00 0.00 C ATOM 1554 CZ TYR A 106 -10.394 8.734 -4.495 1.00 0.00 C ATOM 1555 OH TYR A 106 -11.462 9.437 -3.986 1.00 0.00 O ATOM 0 H TYR A 106 -5.611 6.478 -3.723 1.00 0.00 H new ATOM 0 HA TYR A 106 -7.407 4.624 -5.174 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -6.220 7.222 -6.217 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -7.323 6.158 -7.067 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -9.197 5.598 -4.682 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -7.552 9.214 -6.227 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -11.103 6.851 -3.777 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -9.457 10.469 -5.319 1.00 0.00 H new ATOM 0 HH TYR A 106 -11.359 10.388 -4.199 1.00 0.00 H new ATOM 1565 N LEU A 107 -5.507 3.541 -6.326 1.00 0.00 N ATOM 1566 CA LEU A 107 -4.380 2.822 -6.912 1.00 0.00 C ATOM 1567 C LEU A 107 -4.497 2.775 -8.433 1.00 0.00 C ATOM 1568 O LEU A 107 -5.354 2.080 -8.978 1.00 0.00 O ATOM 1569 CB LEU A 107 -4.308 1.401 -6.350 1.00 0.00 C ATOM 1570 CG LEU A 107 -4.728 1.236 -4.889 1.00 0.00 C ATOM 1571 CD1 LEU A 107 -6.224 0.981 -4.790 1.00 0.00 C ATOM 1572 CD2 LEU A 107 -3.948 0.105 -4.236 1.00 0.00 C ATOM 0 H LEU A 107 -6.398 3.048 -6.385 1.00 0.00 H new ATOM 0 HA LEU A 107 -3.465 3.355 -6.652 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -4.938 0.757 -6.963 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -3.285 1.041 -6.456 1.00 0.00 H new ATOM 0 HG LEU A 107 -4.502 2.161 -4.358 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -6.505 0.866 -3.743 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -6.766 1.823 -5.221 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -6.475 0.071 -5.335 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -4.259 0.001 -3.197 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -4.143 -0.826 -4.768 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -2.882 0.328 -4.275 1.00 0.00 H new ATOM 1584 N ARG A 108 -3.628 3.516 -9.111 1.00 0.00 N ATOM 1585 CA ARG A 108 -3.633 3.558 -10.568 1.00 0.00 C ATOM 1586 C ARG A 108 -2.249 3.236 -11.126 1.00 0.00 C ATOM 1587 O ARG A 108 -2.123 2.701 -12.227 1.00 0.00 O ATOM 1588 CB ARG A 108 -4.085 4.935 -11.059 1.00 0.00 C ATOM 1589 CG ARG A 108 -5.255 5.507 -10.275 1.00 0.00 C ATOM 1590 CD ARG A 108 -5.841 6.729 -10.963 1.00 0.00 C ATOM 1591 NE ARG A 108 -6.224 6.449 -12.344 1.00 0.00 N ATOM 1592 CZ ARG A 108 -6.613 7.385 -13.203 1.00 0.00 C ATOM 1593 NH1 ARG A 108 -6.670 8.654 -12.825 1.00 0.00 N ATOM 1594 NH2 ARG A 108 -6.946 7.051 -14.443 1.00 0.00 N ATOM 0 H ARG A 108 -2.911 4.096 -8.675 1.00 0.00 H new ATOM 0 HA ARG A 108 -4.335 2.804 -10.926 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -3.245 5.627 -10.998 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -4.363 4.863 -12.110 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -6.027 4.746 -10.164 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -4.925 5.776 -9.271 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -6.713 7.074 -10.408 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -5.112 7.539 -10.946 1.00 0.00 H new ATOM 0 HE ARG A 108 -6.191 5.482 -12.667 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -6.415 8.914 -11.872 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -6.969 9.370 -13.487 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -6.903 6.075 -14.737 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -7.245 7.770 -15.102 1.00 0.00 H new ATOM 1608 N GLN A 109 -1.215 3.567 -10.359 1.00 0.00 N ATOM 1609 CA GLN A 109 0.158 3.315 -10.777 1.00 0.00 C ATOM 1610 C GLN A 109 0.748 2.128 -10.022 1.00 0.00 C ATOM 1611 O GLN A 109 1.164 2.239 -8.869 1.00 0.00 O ATOM 1612 CB GLN A 109 1.020 4.558 -10.549 1.00 0.00 C ATOM 1613 CG GLN A 109 1.061 5.497 -11.744 1.00 0.00 C ATOM 1614 CD GLN A 109 1.244 6.947 -11.341 1.00 0.00 C ATOM 1615 OE1 GLN A 109 2.100 7.649 -11.879 1.00 0.00 O ATOM 1616 NE2 GLN A 109 0.439 7.402 -10.390 1.00 0.00 N ATOM 0 H GLN A 109 -1.303 4.010 -9.445 1.00 0.00 H new ATOM 0 HA GLN A 109 0.149 3.078 -11.841 1.00 0.00 H new ATOM 0 HB2 GLN A 109 0.639 5.101 -9.684 1.00 0.00 H new ATOM 0 HB3 GLN A 109 2.036 4.246 -10.307 1.00 0.00 H new ATOM 0 HG2 GLN A 109 1.876 5.202 -12.405 1.00 0.00 H new ATOM 0 HG3 GLN A 109 0.137 5.396 -12.313 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -0.257 6.784 -9.972 1.00 0.00 H new ATOM 0 HE22 GLN A 109 0.515 8.370 -10.077 1.00 0.00 H new ATOM 1625 N PRO A 110 0.784 0.963 -10.686 1.00 0.00 N ATOM 1626 CA PRO A 110 1.321 -0.268 -10.097 1.00 0.00 C ATOM 1627 C PRO A 110 2.834 -0.211 -9.914 1.00 0.00 C ATOM 1628 O PRO A 110 3.591 -0.575 -10.815 1.00 0.00 O ATOM 1629 CB PRO A 110 0.945 -1.344 -11.119 1.00 0.00 C ATOM 1630 CG PRO A 110 0.821 -0.612 -12.410 1.00 0.00 C ATOM 1631 CD PRO A 110 0.305 0.758 -12.064 1.00 0.00 C ATOM 0 HA PRO A 110 0.921 -0.451 -9.100 1.00 0.00 H new ATOM 0 HB2 PRO A 110 1.708 -2.120 -11.176 1.00 0.00 H new ATOM 0 HB3 PRO A 110 0.010 -1.835 -10.851 1.00 0.00 H new ATOM 0 HG2 PRO A 110 1.784 -0.549 -12.917 1.00 0.00 H new ATOM 0 HG3 PRO A 110 0.138 -1.127 -13.086 1.00 0.00 H new ATOM 0 HD2 PRO A 110 0.694 1.517 -12.742 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -0.782 0.805 -12.123 1.00 0.00 H new ATOM 1639 N TYR A 111 3.267 0.247 -8.745 1.00 0.00 N ATOM 1640 CA TYR A 111 4.690 0.352 -8.446 1.00 0.00 C ATOM 1641 C TYR A 111 5.409 -0.960 -8.743 1.00 0.00 C ATOM 1642 O TYR A 111 5.107 -1.994 -8.146 1.00 0.00 O ATOM 1643 CB TYR A 111 4.897 0.740 -6.981 1.00 0.00 C ATOM 1644 CG TYR A 111 6.225 1.414 -6.715 1.00 0.00 C ATOM 1645 CD1 TYR A 111 6.592 2.565 -7.403 1.00 0.00 C ATOM 1646 CD2 TYR A 111 7.111 0.900 -5.777 1.00 0.00 C ATOM 1647 CE1 TYR A 111 7.804 3.184 -7.163 1.00 0.00 C ATOM 1648 CE2 TYR A 111 8.325 1.514 -5.530 1.00 0.00 C ATOM 1649 CZ TYR A 111 8.666 2.655 -6.226 1.00 0.00 C ATOM 1650 OH TYR A 111 9.875 3.267 -5.984 1.00 0.00 O ATOM 0 H TYR A 111 2.653 0.551 -7.989 1.00 0.00 H new ATOM 0 HA TYR A 111 5.112 1.128 -9.084 1.00 0.00 H new ATOM 0 HB2 TYR A 111 4.092 1.408 -6.673 1.00 0.00 H new ATOM 0 HB3 TYR A 111 4.823 -0.155 -6.363 1.00 0.00 H new ATOM 0 HD1 TYR A 111 5.919 2.982 -8.137 1.00 0.00 H new ATOM 0 HD2 TYR A 111 6.847 0.006 -5.232 1.00 0.00 H new ATOM 0 HE1 TYR A 111 8.074 4.077 -7.706 1.00 0.00 H new ATOM 0 HE2 TYR A 111 9.002 1.103 -4.796 1.00 0.00 H new ATOM 0 HH TYR A 111 9.792 4.230 -6.146 1.00 0.00 H new ATOM 1660 N TYR A 112 6.361 -0.910 -9.667 1.00 0.00 N ATOM 1661 CA TYR A 112 7.121 -2.095 -10.046 1.00 0.00 C ATOM 1662 C TYR A 112 8.454 -2.146 -9.303 1.00 0.00 C ATOM 1663 O TYR A 112 8.927 -1.137 -8.782 1.00 0.00 O ATOM 1664 CB TYR A 112 7.366 -2.110 -11.556 1.00 0.00 C ATOM 1665 CG TYR A 112 6.098 -2.014 -12.374 1.00 0.00 C ATOM 1666 CD1 TYR A 112 5.561 -0.780 -12.718 1.00 0.00 C ATOM 1667 CD2 TYR A 112 5.439 -3.159 -12.805 1.00 0.00 C ATOM 1668 CE1 TYR A 112 4.403 -0.689 -13.466 1.00 0.00 C ATOM 1669 CE2 TYR A 112 4.281 -3.077 -13.554 1.00 0.00 C ATOM 1670 CZ TYR A 112 3.767 -1.840 -13.882 1.00 0.00 C ATOM 1671 OH TYR A 112 2.614 -1.754 -14.628 1.00 0.00 O ATOM 0 H TYR A 112 6.625 -0.062 -10.168 1.00 0.00 H new ATOM 0 HA TYR A 112 6.537 -2.973 -9.772 1.00 0.00 H new ATOM 0 HB2 TYR A 112 8.022 -1.280 -11.818 1.00 0.00 H new ATOM 0 HB3 TYR A 112 7.892 -3.027 -11.822 1.00 0.00 H new ATOM 0 HD1 TYR A 112 6.057 0.123 -12.395 1.00 0.00 H new ATOM 0 HD2 TYR A 112 5.839 -4.129 -12.550 1.00 0.00 H new ATOM 0 HE1 TYR A 112 3.998 0.278 -13.724 1.00 0.00 H new ATOM 0 HE2 TYR A 112 3.781 -3.977 -13.881 1.00 0.00 H new ATOM 0 HH TYR A 112 2.294 -2.656 -14.840 1.00 0.00 H new ATOM 1871 N ALA B 9 -2.977 2.582 8.450 1.00 0.00 N ATOM 1872 CA ALA B 9 -4.244 3.303 8.480 1.00 0.00 C ATOM 1873 C ALA B 9 -5.425 2.339 8.452 1.00 0.00 C ATOM 1874 O ALA B 9 -5.625 1.617 7.477 1.00 0.00 O ATOM 1875 CB ALA B 9 -4.326 4.274 7.311 1.00 0.00 C ATOM 0 HA ALA B 9 -4.291 3.867 9.412 1.00 0.00 H new ATOM 0 HB1 ALA B 9 -5.277 4.806 7.346 1.00 0.00 H new ATOM 0 HB2 ALA B 9 -3.507 4.991 7.375 1.00 0.00 H new ATOM 0 HB3 ALA B 9 -4.253 3.722 6.374 1.00 0.00 H new ATOM 1881 N GLU B 10 -6.204 2.334 9.529 1.00 0.00 N ATOM 1882 CA GLU B 10 -7.366 1.458 9.628 1.00 0.00 C ATOM 1883 C GLU B 10 -8.376 1.768 8.527 1.00 0.00 C ATOM 1884 O GLU B 10 -8.530 2.918 8.116 1.00 0.00 O ATOM 1885 CB GLU B 10 -8.028 1.604 11.000 1.00 0.00 C ATOM 1886 CG GLU B 10 -8.789 0.366 11.442 1.00 0.00 C ATOM 1887 CD GLU B 10 -7.997 -0.911 11.238 1.00 0.00 C ATOM 1888 OE1 GLU B 10 -6.755 -0.863 11.356 1.00 0.00 O ATOM 1889 OE2 GLU B 10 -8.618 -1.957 10.958 1.00 0.00 O ATOM 0 H GLU B 10 -6.052 2.927 10.345 1.00 0.00 H new ATOM 0 HA GLU B 10 -7.025 0.430 9.506 1.00 0.00 H new ATOM 0 HB2 GLU B 10 -7.262 1.834 11.741 1.00 0.00 H new ATOM 0 HB3 GLU B 10 -8.713 2.452 10.976 1.00 0.00 H new ATOM 0 HG2 GLU B 10 -9.051 0.462 12.496 1.00 0.00 H new ATOM 0 HG3 GLU B 10 -9.724 0.302 10.886 1.00 0.00 H new ATOM 1896 N LEU B 11 -9.062 0.733 8.055 1.00 0.00 N ATOM 1897 CA LEU B 11 -10.058 0.892 7.001 1.00 0.00 C ATOM 1898 C LEU B 11 -11.459 0.594 7.526 1.00 0.00 C ATOM 1899 O LEU B 11 -11.625 0.140 8.657 1.00 0.00 O ATOM 1900 CB LEU B 11 -9.736 -0.028 5.823 1.00 0.00 C ATOM 1901 CG LEU B 11 -8.313 0.065 5.269 1.00 0.00 C ATOM 1902 CD1 LEU B 11 -8.235 -0.574 3.890 1.00 0.00 C ATOM 1903 CD2 LEU B 11 -7.856 1.515 5.214 1.00 0.00 C ATOM 0 H LEU B 11 -8.947 -0.225 8.385 1.00 0.00 H new ATOM 0 HA LEU B 11 -10.029 1.928 6.662 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -9.918 -1.058 6.131 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -10.434 0.191 5.015 1.00 0.00 H new ATOM 0 HG LEU B 11 -7.646 -0.480 5.938 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -7.216 -0.499 3.511 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -8.520 -1.624 3.959 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -8.913 -0.058 3.211 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -6.842 1.562 4.818 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -8.525 2.083 4.568 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -7.873 1.940 6.217 1.00 0.00 H new ATOM 1915 N ASN B 12 -12.464 0.851 6.695 1.00 0.00 N ATOM 1916 CA ASN B 12 -13.851 0.608 7.075 1.00 0.00 C ATOM 1917 C ASN B 12 -14.358 -0.699 6.474 1.00 0.00 C ATOM 1918 O ASN B 12 -14.253 -0.922 5.267 1.00 0.00 O ATOM 1919 CB ASN B 12 -14.737 1.769 6.621 1.00 0.00 C ATOM 1920 CG ASN B 12 -16.151 1.662 7.158 1.00 0.00 C ATOM 1921 OD1 ASN B 12 -16.803 0.627 7.020 1.00 0.00 O ATOM 1922 ND2 ASN B 12 -16.632 2.735 7.775 1.00 0.00 N ATOM 0 H ASN B 12 -12.344 1.227 5.755 1.00 0.00 H new ATOM 0 HA ASN B 12 -13.896 0.529 8.161 1.00 0.00 H new ATOM 0 HB2 ASN B 12 -14.296 2.710 6.951 1.00 0.00 H new ATOM 0 HB3 ASN B 12 -14.766 1.796 5.532 1.00 0.00 H new ATOM 0 HD21 ASN B 12 -17.578 2.722 8.157 1.00 0.00 H new ATOM 0 HD22 ASN B 12 -16.056 3.572 7.867 1.00 0.00 H new