USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=26 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 46 SER OG : rot -81:sc= 1.11 USER MOD Set 1.2: A 64 HIS : no HD1:sc= 0.645 K(o=1.8,f=-5.2!) USER MOD Set 2.1: A 10 HIS : no HD1:sc= -2.83 K(o=-5.3,f=-12!) USER MOD Set 2.2: A 13 MET CE :methyl -158:sc= -2.48 (180deg=-1.02) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= -0.123 X(o=-0.12,f=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 THR OG1 : rot 89:sc= 0.0202 USER MOD Single : A 23 GLN : amide:sc= -1.13 K(o=-1.1,f=-2.4) USER MOD Single : A 25 LYS NZ :NH3+ -162:sc= -0.313 (180deg=-0.442) USER MOD Single : A 30 THR OG1 : rot 117:sc= 1.1 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot -64:sc= 0.613 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 LYS NZ :NH3+ -163:sc= -0.0369 (180deg=-0.291) USER MOD Single : A 58 SER OG : rot 180:sc= -0.807 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 166:sc=-0.00558 (180deg=-0.0957) USER MOD Single : A 68 MET CE :methyl 147:sc= -0.38 (180deg=-1.8!) USER MOD Single : A 69 CYS SG : rot 105:sc= 0.517 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -123:sc= 1.29 USER MOD Single : A 81 THR OG1 : rot 45:sc= 0.368 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 91 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 93 LYS NZ :NH3+ -142:sc=-0.00765 (180deg=-0.908) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot -106:sc= 0.712 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= -3.91! K(o=-3.9!,f=-4.6) USER MOD Single : A 111 TYR OH : rot 30:sc= -0.0821 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : B 12 ASN : amide:sc= -0.263 X(o=-0.26,f=-0.0031) USER MOD ----------------------------------------------------------------- ATOM 66 N TRP A 8 3.346 -5.946 -9.922 1.00 0.00 N ATOM 67 CA TRP A 8 3.514 -4.901 -8.918 1.00 0.00 C ATOM 68 C TRP A 8 4.139 -5.463 -7.646 1.00 0.00 C ATOM 69 O TRP A 8 4.796 -4.742 -6.895 1.00 0.00 O ATOM 70 CB TRP A 8 2.167 -4.253 -8.597 1.00 0.00 C ATOM 71 CG TRP A 8 1.000 -5.168 -8.814 1.00 0.00 C ATOM 72 CD1 TRP A 8 0.174 -5.199 -9.902 1.00 0.00 C ATOM 73 CD2 TRP A 8 0.529 -6.184 -7.922 1.00 0.00 C ATOM 74 NE1 TRP A 8 -0.782 -6.172 -9.738 1.00 0.00 N ATOM 75 CE2 TRP A 8 -0.585 -6.792 -8.532 1.00 0.00 C ATOM 76 CE3 TRP A 8 0.943 -6.641 -6.668 1.00 0.00 C ATOM 77 CZ2 TRP A 8 -1.290 -7.830 -7.930 1.00 0.00 C ATOM 78 CZ3 TRP A 8 0.242 -7.672 -6.071 1.00 0.00 C ATOM 79 CH2 TRP A 8 -0.864 -8.257 -6.702 1.00 0.00 C ATOM 0 HA TRP A 8 4.185 -4.145 -9.325 1.00 0.00 H new ATOM 0 HB2 TRP A 8 2.170 -3.920 -7.559 1.00 0.00 H new ATOM 0 HB3 TRP A 8 2.043 -3.365 -9.216 1.00 0.00 H new ATOM 0 HD1 TRP A 8 0.260 -4.554 -10.764 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -1.519 -6.397 -10.406 1.00 0.00 H new ATOM 0 HE3 TRP A 8 1.795 -6.197 -6.174 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -2.143 -8.282 -8.415 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 0.552 -8.033 -5.101 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -1.391 -9.061 -6.209 1.00 0.00 H new ATOM 90 N TYR A 9 3.930 -6.753 -7.411 1.00 0.00 N ATOM 91 CA TYR A 9 4.472 -7.411 -6.227 1.00 0.00 C ATOM 92 C TYR A 9 5.977 -7.188 -6.120 1.00 0.00 C ATOM 93 O TYR A 9 6.712 -7.349 -7.096 1.00 0.00 O ATOM 94 CB TYR A 9 4.169 -8.909 -6.268 1.00 0.00 C ATOM 95 CG TYR A 9 4.594 -9.648 -5.019 1.00 0.00 C ATOM 96 CD1 TYR A 9 3.978 -9.400 -3.798 1.00 0.00 C ATOM 97 CD2 TYR A 9 5.613 -10.592 -5.058 1.00 0.00 C ATOM 98 CE1 TYR A 9 4.365 -10.071 -2.653 1.00 0.00 C ATOM 99 CE2 TYR A 9 6.005 -11.269 -3.920 1.00 0.00 C ATOM 100 CZ TYR A 9 5.378 -11.005 -2.720 1.00 0.00 C ATOM 101 OH TYR A 9 5.767 -11.676 -1.583 1.00 0.00 O ATOM 0 H TYR A 9 3.390 -7.364 -8.024 1.00 0.00 H new ATOM 0 HA TYR A 9 3.996 -6.974 -5.349 1.00 0.00 H new ATOM 0 HB2 TYR A 9 3.099 -9.051 -6.417 1.00 0.00 H new ATOM 0 HB3 TYR A 9 4.672 -9.349 -7.129 1.00 0.00 H new ATOM 0 HD1 TYR A 9 3.183 -8.671 -3.743 1.00 0.00 H new ATOM 0 HD2 TYR A 9 6.107 -10.800 -5.995 1.00 0.00 H new ATOM 0 HE1 TYR A 9 3.877 -9.865 -1.712 1.00 0.00 H new ATOM 0 HE2 TYR A 9 6.798 -12.001 -3.969 1.00 0.00 H new ATOM 0 HH TYR A 9 6.491 -12.299 -1.802 1.00 0.00 H new ATOM 111 N HIS A 10 6.430 -6.816 -4.927 1.00 0.00 N ATOM 112 CA HIS A 10 7.848 -6.571 -4.690 1.00 0.00 C ATOM 113 C HIS A 10 8.509 -7.787 -4.048 1.00 0.00 C ATOM 114 O HIS A 10 9.271 -8.505 -4.694 1.00 0.00 O ATOM 115 CB HIS A 10 8.034 -5.344 -3.798 1.00 0.00 C ATOM 116 CG HIS A 10 8.133 -4.058 -4.560 1.00 0.00 C ATOM 117 ND1 HIS A 10 9.269 -3.278 -4.575 1.00 0.00 N ATOM 118 CD2 HIS A 10 7.229 -3.418 -5.339 1.00 0.00 C ATOM 119 CE1 HIS A 10 9.060 -2.213 -5.328 1.00 0.00 C ATOM 120 NE2 HIS A 10 7.829 -2.275 -5.804 1.00 0.00 N ATOM 0 H HIS A 10 5.836 -6.678 -4.110 1.00 0.00 H new ATOM 0 HA HIS A 10 8.325 -6.386 -5.652 1.00 0.00 H new ATOM 0 HB2 HIS A 10 7.197 -5.281 -3.102 1.00 0.00 H new ATOM 0 HB3 HIS A 10 8.936 -5.473 -3.200 1.00 0.00 H new ATOM 0 HD2 HIS A 10 6.223 -3.746 -5.554 1.00 0.00 H new ATOM 0 HE1 HIS A 10 9.774 -1.426 -5.522 1.00 0.00 H new ATOM 0 HE2 HIS A 10 7.395 -1.585 -6.417 1.00 0.00 H new ATOM 129 N GLY A 11 8.213 -8.009 -2.771 1.00 0.00 N ATOM 130 CA GLY A 11 8.788 -9.138 -2.063 1.00 0.00 C ATOM 131 C GLY A 11 9.280 -8.764 -0.678 1.00 0.00 C ATOM 132 O GLY A 11 8.503 -8.737 0.277 1.00 0.00 O ATOM 0 H GLY A 11 7.586 -7.428 -2.215 1.00 0.00 H new ATOM 0 HA2 GLY A 11 8.042 -9.928 -1.979 1.00 0.00 H new ATOM 0 HA3 GLY A 11 9.617 -9.543 -2.643 1.00 0.00 H new ATOM 136 N HIS A 12 10.573 -8.477 -0.569 1.00 0.00 N ATOM 137 CA HIS A 12 11.167 -8.104 0.710 1.00 0.00 C ATOM 138 C HIS A 12 11.329 -6.590 0.813 1.00 0.00 C ATOM 139 O HIS A 12 12.139 -5.993 0.103 1.00 0.00 O ATOM 140 CB HIS A 12 12.524 -8.787 0.884 1.00 0.00 C ATOM 141 CG HIS A 12 13.032 -8.758 2.293 1.00 0.00 C ATOM 142 ND1 HIS A 12 13.189 -9.893 3.060 1.00 0.00 N ATOM 143 CD2 HIS A 12 13.422 -7.722 3.073 1.00 0.00 C ATOM 144 CE1 HIS A 12 13.651 -9.557 4.251 1.00 0.00 C ATOM 145 NE2 HIS A 12 13.802 -8.245 4.285 1.00 0.00 N ATOM 0 H HIS A 12 11.229 -8.495 -1.350 1.00 0.00 H new ATOM 0 HA HIS A 12 10.498 -8.435 1.504 1.00 0.00 H new ATOM 0 HB2 HIS A 12 12.445 -9.824 0.556 1.00 0.00 H new ATOM 0 HB3 HIS A 12 13.252 -8.302 0.234 1.00 0.00 H new ATOM 0 HD2 HIS A 12 13.432 -6.679 2.794 1.00 0.00 H new ATOM 0 HE1 HIS A 12 13.868 -10.239 5.060 1.00 0.00 H new ATOM 0 HE2 HIS A 12 14.145 -7.708 5.081 1.00 0.00 H new ATOM 154 N MET A 13 10.554 -5.975 1.699 1.00 0.00 N ATOM 155 CA MET A 13 10.612 -4.531 1.895 1.00 0.00 C ATOM 156 C MET A 13 9.982 -4.137 3.226 1.00 0.00 C ATOM 157 O MET A 13 9.125 -4.846 3.752 1.00 0.00 O ATOM 158 CB MET A 13 9.902 -3.811 0.748 1.00 0.00 C ATOM 159 CG MET A 13 10.097 -2.303 0.762 1.00 0.00 C ATOM 160 SD MET A 13 9.044 -1.455 -0.430 1.00 0.00 S ATOM 161 CE MET A 13 9.661 -2.131 -1.969 1.00 0.00 C ATOM 0 H MET A 13 9.878 -6.454 2.293 1.00 0.00 H new ATOM 0 HA MET A 13 11.660 -4.233 1.908 1.00 0.00 H new ATOM 0 HB2 MET A 13 10.267 -4.207 -0.200 1.00 0.00 H new ATOM 0 HB3 MET A 13 8.836 -4.031 0.796 1.00 0.00 H new ATOM 0 HG2 MET A 13 9.887 -1.923 1.762 1.00 0.00 H new ATOM 0 HG3 MET A 13 11.141 -2.074 0.547 1.00 0.00 H new ATOM 0 HE1 MET A 13 9.413 -1.456 -2.788 1.00 0.00 H new ATOM 0 HE2 MET A 13 10.743 -2.245 -1.908 1.00 0.00 H new ATOM 0 HE3 MET A 13 9.203 -3.104 -2.149 1.00 0.00 H new ATOM 171 N SER A 14 10.412 -3.001 3.767 1.00 0.00 N ATOM 172 CA SER A 14 9.893 -2.515 5.039 1.00 0.00 C ATOM 173 C SER A 14 9.275 -1.128 4.879 1.00 0.00 C ATOM 174 O SER A 14 9.773 -0.298 4.121 1.00 0.00 O ATOM 175 CB SER A 14 11.008 -2.471 6.086 1.00 0.00 C ATOM 176 OG SER A 14 11.835 -1.335 5.903 1.00 0.00 O ATOM 0 H SER A 14 11.119 -2.400 3.343 1.00 0.00 H new ATOM 0 HA SER A 14 9.117 -3.204 5.374 1.00 0.00 H new ATOM 0 HB2 SER A 14 10.572 -2.450 7.085 1.00 0.00 H new ATOM 0 HB3 SER A 14 11.610 -3.377 6.019 1.00 0.00 H new ATOM 0 HG SER A 14 12.538 -1.329 6.585 1.00 0.00 H new ATOM 182 N GLY A 15 8.186 -0.886 5.602 1.00 0.00 N ATOM 183 CA GLY A 15 7.517 0.399 5.528 1.00 0.00 C ATOM 184 C GLY A 15 8.492 1.559 5.478 1.00 0.00 C ATOM 185 O GLY A 15 8.176 2.624 4.950 1.00 0.00 O ATOM 0 H GLY A 15 7.755 -1.557 6.238 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.882 0.424 4.642 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.863 0.515 6.392 1.00 0.00 H new ATOM 189 N GLY A 16 9.683 1.352 6.033 1.00 0.00 N ATOM 190 CA GLY A 16 10.688 2.398 6.041 1.00 0.00 C ATOM 191 C GLY A 16 11.297 2.628 4.673 1.00 0.00 C ATOM 192 O GLY A 16 11.564 3.767 4.288 1.00 0.00 O ATOM 0 H GLY A 16 9.969 0.479 6.477 1.00 0.00 H new ATOM 0 HA2 GLY A 16 10.239 3.326 6.396 1.00 0.00 H new ATOM 0 HA3 GLY A 16 11.476 2.135 6.746 1.00 0.00 H new ATOM 196 N GLN A 17 11.518 1.545 3.934 1.00 0.00 N ATOM 197 CA GLN A 17 12.102 1.634 2.601 1.00 0.00 C ATOM 198 C GLN A 17 11.050 2.039 1.573 1.00 0.00 C ATOM 199 O GLN A 17 11.348 2.744 0.610 1.00 0.00 O ATOM 200 CB GLN A 17 12.731 0.297 2.206 1.00 0.00 C ATOM 201 CG GLN A 17 13.605 0.380 0.965 1.00 0.00 C ATOM 202 CD GLN A 17 14.730 -0.635 0.975 1.00 0.00 C ATOM 203 OE1 GLN A 17 15.809 -0.379 1.510 1.00 0.00 O ATOM 204 NE2 GLN A 17 14.484 -1.798 0.382 1.00 0.00 N ATOM 0 H GLN A 17 11.301 0.595 4.236 1.00 0.00 H new ATOM 0 HA GLN A 17 12.878 2.399 2.621 1.00 0.00 H new ATOM 0 HB2 GLN A 17 13.330 -0.073 3.038 1.00 0.00 H new ATOM 0 HB3 GLN A 17 11.939 -0.431 2.034 1.00 0.00 H new ATOM 0 HG2 GLN A 17 12.988 0.224 0.080 1.00 0.00 H new ATOM 0 HG3 GLN A 17 14.026 1.383 0.888 1.00 0.00 H new ATOM 0 HE21 GLN A 17 13.575 -1.968 -0.049 1.00 0.00 H new ATOM 0 HE22 GLN A 17 15.204 -2.520 0.358 1.00 0.00 H new ATOM 213 N ALA A 18 9.819 1.587 1.784 1.00 0.00 N ATOM 214 CA ALA A 18 8.723 1.903 0.877 1.00 0.00 C ATOM 215 C ALA A 18 8.503 3.409 0.784 1.00 0.00 C ATOM 216 O ALA A 18 8.696 4.009 -0.272 1.00 0.00 O ATOM 217 CB ALA A 18 7.446 1.208 1.329 1.00 0.00 C ATOM 0 H ALA A 18 9.555 1.000 2.576 1.00 0.00 H new ATOM 0 HA ALA A 18 8.990 1.540 -0.115 1.00 0.00 H new ATOM 0 HB1 ALA A 18 6.636 1.453 0.642 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.602 0.129 1.336 1.00 0.00 H new ATOM 0 HB3 ALA A 18 7.185 1.543 2.333 1.00 0.00 H new ATOM 223 N GLU A 19 8.098 4.013 1.897 1.00 0.00 N ATOM 224 CA GLU A 19 7.852 5.449 1.940 1.00 0.00 C ATOM 225 C GLU A 19 8.911 6.207 1.143 1.00 0.00 C ATOM 226 O GLU A 19 8.598 7.144 0.407 1.00 0.00 O ATOM 227 CB GLU A 19 7.837 5.945 3.388 1.00 0.00 C ATOM 228 CG GLU A 19 6.459 5.910 4.029 1.00 0.00 C ATOM 229 CD GLU A 19 6.328 6.885 5.182 1.00 0.00 C ATOM 230 OE1 GLU A 19 7.179 6.841 6.094 1.00 0.00 O ATOM 231 OE2 GLU A 19 5.374 7.691 5.173 1.00 0.00 O ATOM 0 H GLU A 19 7.934 3.530 2.780 1.00 0.00 H new ATOM 0 HA GLU A 19 6.878 5.637 1.489 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.519 5.334 3.979 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.216 6.966 3.417 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.706 6.141 3.276 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.254 4.901 4.386 1.00 0.00 H new ATOM 238 N THR A 20 10.165 5.796 1.296 1.00 0.00 N ATOM 239 CA THR A 20 11.270 6.434 0.594 1.00 0.00 C ATOM 240 C THR A 20 11.230 6.120 -0.897 1.00 0.00 C ATOM 241 O THR A 20 11.447 6.996 -1.735 1.00 0.00 O ATOM 242 CB THR A 20 12.630 5.991 1.164 1.00 0.00 C ATOM 243 OG1 THR A 20 12.713 6.331 2.553 1.00 0.00 O ATOM 244 CG2 THR A 20 13.776 6.648 0.407 1.00 0.00 C ATOM 0 H THR A 20 10.441 5.023 1.901 1.00 0.00 H new ATOM 0 HA THR A 20 11.157 7.508 0.739 1.00 0.00 H new ATOM 0 HB THR A 20 12.712 4.910 1.048 1.00 0.00 H new ATOM 0 HG1 THR A 20 12.361 5.592 3.092 1.00 0.00 H new ATOM 0 HG21 THR A 20 14.726 6.319 0.828 1.00 0.00 H new ATOM 0 HG22 THR A 20 13.728 6.364 -0.644 1.00 0.00 H new ATOM 0 HG23 THR A 20 13.696 7.732 0.494 1.00 0.00 H new ATOM 252 N LEU A 21 10.951 4.862 -1.224 1.00 0.00 N ATOM 253 CA LEU A 21 10.882 4.431 -2.615 1.00 0.00 C ATOM 254 C LEU A 21 9.751 5.143 -3.351 1.00 0.00 C ATOM 255 O LEU A 21 9.992 5.941 -4.257 1.00 0.00 O ATOM 256 CB LEU A 21 10.680 2.915 -2.691 1.00 0.00 C ATOM 257 CG LEU A 21 11.899 2.058 -2.351 1.00 0.00 C ATOM 258 CD1 LEU A 21 11.516 0.588 -2.283 1.00 0.00 C ATOM 259 CD2 LEU A 21 13.005 2.276 -3.373 1.00 0.00 C ATOM 0 H LEU A 21 10.769 4.124 -0.544 1.00 0.00 H new ATOM 0 HA LEU A 21 11.825 4.691 -3.097 1.00 0.00 H new ATOM 0 HB2 LEU A 21 9.869 2.642 -2.015 1.00 0.00 H new ATOM 0 HB3 LEU A 21 10.353 2.662 -3.700 1.00 0.00 H new ATOM 0 HG LEU A 21 12.271 2.361 -1.372 1.00 0.00 H new ATOM 0 HD11 LEU A 21 12.397 -0.007 -2.040 1.00 0.00 H new ATOM 0 HD12 LEU A 21 10.758 0.445 -1.513 1.00 0.00 H new ATOM 0 HD13 LEU A 21 11.119 0.271 -3.247 1.00 0.00 H new ATOM 0 HD21 LEU A 21 13.865 1.658 -3.116 1.00 0.00 H new ATOM 0 HD22 LEU A 21 12.644 2.001 -4.364 1.00 0.00 H new ATOM 0 HD23 LEU A 21 13.299 3.326 -3.373 1.00 0.00 H new ATOM 271 N LEU A 22 8.518 4.850 -2.953 1.00 0.00 N ATOM 272 CA LEU A 22 7.348 5.465 -3.573 1.00 0.00 C ATOM 273 C LEU A 22 7.591 6.947 -3.843 1.00 0.00 C ATOM 274 O LEU A 22 7.553 7.392 -4.990 1.00 0.00 O ATOM 275 CB LEU A 22 6.121 5.292 -2.676 1.00 0.00 C ATOM 276 CG LEU A 22 5.430 3.931 -2.740 1.00 0.00 C ATOM 277 CD1 LEU A 22 4.397 3.803 -1.631 1.00 0.00 C ATOM 278 CD2 LEU A 22 4.780 3.725 -4.101 1.00 0.00 C ATOM 0 H LEU A 22 8.302 4.191 -2.205 1.00 0.00 H new ATOM 0 HA LEU A 22 7.167 4.966 -4.525 1.00 0.00 H new ATOM 0 HB2 LEU A 22 6.421 5.477 -1.644 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.393 6.059 -2.938 1.00 0.00 H new ATOM 0 HG LEU A 22 6.184 3.157 -2.598 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.916 2.827 -1.693 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.888 3.905 -0.663 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.646 4.586 -1.741 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.293 2.750 -4.128 1.00 0.00 H new ATOM 0 HD22 LEU A 22 4.039 4.506 -4.272 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.542 3.771 -4.879 1.00 0.00 H new ATOM 290 N GLN A 23 7.841 7.703 -2.779 1.00 0.00 N ATOM 291 CA GLN A 23 8.091 9.134 -2.903 1.00 0.00 C ATOM 292 C GLN A 23 9.189 9.409 -3.924 1.00 0.00 C ATOM 293 O GLN A 23 9.196 10.452 -4.579 1.00 0.00 O ATOM 294 CB GLN A 23 8.480 9.725 -1.547 1.00 0.00 C ATOM 295 CG GLN A 23 7.399 9.580 -0.487 1.00 0.00 C ATOM 296 CD GLN A 23 7.872 10.002 0.890 1.00 0.00 C ATOM 297 OE1 GLN A 23 9.027 9.785 1.256 1.00 0.00 O ATOM 298 NE2 GLN A 23 6.978 10.609 1.662 1.00 0.00 N ATOM 0 H GLN A 23 7.876 7.349 -1.823 1.00 0.00 H new ATOM 0 HA GLN A 23 7.172 9.608 -3.248 1.00 0.00 H new ATOM 0 HB2 GLN A 23 9.390 9.238 -1.195 1.00 0.00 H new ATOM 0 HB3 GLN A 23 8.713 10.782 -1.674 1.00 0.00 H new ATOM 0 HG2 GLN A 23 6.535 10.181 -0.770 1.00 0.00 H new ATOM 0 HG3 GLN A 23 7.068 8.542 -0.451 1.00 0.00 H new ATOM 0 HE21 GLN A 23 6.031 10.768 1.318 1.00 0.00 H new ATOM 0 HE22 GLN A 23 7.238 10.916 2.599 1.00 0.00 H new ATOM 307 N ALA A 24 10.118 8.468 -4.056 1.00 0.00 N ATOM 308 CA ALA A 24 11.221 8.607 -4.998 1.00 0.00 C ATOM 309 C ALA A 24 10.706 8.800 -6.421 1.00 0.00 C ATOM 310 O ALA A 24 11.144 9.703 -7.133 1.00 0.00 O ATOM 311 CB ALA A 24 12.134 7.393 -4.926 1.00 0.00 C ATOM 0 H ALA A 24 10.128 7.600 -3.521 1.00 0.00 H new ATOM 0 HA ALA A 24 11.792 9.493 -4.722 1.00 0.00 H new ATOM 0 HB1 ALA A 24 12.953 7.511 -5.635 1.00 0.00 H new ATOM 0 HB2 ALA A 24 12.538 7.301 -3.918 1.00 0.00 H new ATOM 0 HB3 ALA A 24 11.567 6.496 -5.173 1.00 0.00 H new ATOM 317 N LYS A 25 9.774 7.945 -6.828 1.00 0.00 N ATOM 318 CA LYS A 25 9.198 8.022 -8.166 1.00 0.00 C ATOM 319 C LYS A 25 8.449 9.337 -8.362 1.00 0.00 C ATOM 320 O LYS A 25 8.597 9.999 -9.389 1.00 0.00 O ATOM 321 CB LYS A 25 8.250 6.844 -8.403 1.00 0.00 C ATOM 322 CG LYS A 25 7.783 6.719 -9.844 1.00 0.00 C ATOM 323 CD LYS A 25 7.503 5.274 -10.217 1.00 0.00 C ATOM 324 CE LYS A 25 6.151 4.814 -9.693 1.00 0.00 C ATOM 325 NZ LYS A 25 5.704 3.552 -10.344 1.00 0.00 N ATOM 0 H LYS A 25 9.401 7.191 -6.251 1.00 0.00 H new ATOM 0 HA LYS A 25 10.013 7.977 -8.888 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.751 5.921 -8.111 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.380 6.953 -7.756 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.881 7.314 -9.988 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.543 7.127 -10.510 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.530 5.165 -11.301 1.00 0.00 H new ATOM 0 HD3 LYS A 25 8.288 4.634 -9.813 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.211 4.665 -8.615 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.410 5.594 -9.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.681 3.432 -10.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.910 3.595 -11.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.209 2.746 -9.922 1.00 0.00 H new ATOM 339 N GLY A 26 7.647 9.710 -7.369 1.00 0.00 N ATOM 340 CA GLY A 26 6.890 10.945 -7.453 1.00 0.00 C ATOM 341 C GLY A 26 5.598 10.781 -8.229 1.00 0.00 C ATOM 342 O GLY A 26 5.079 11.745 -8.792 1.00 0.00 O ATOM 0 H GLY A 26 7.508 9.179 -6.509 1.00 0.00 H new ATOM 0 HA2 GLY A 26 6.664 11.298 -6.447 1.00 0.00 H new ATOM 0 HA3 GLY A 26 7.502 11.711 -7.930 1.00 0.00 H new ATOM 346 N GLU A 27 5.078 9.559 -8.258 1.00 0.00 N ATOM 347 CA GLU A 27 3.840 9.273 -8.974 1.00 0.00 C ATOM 348 C GLU A 27 2.677 9.100 -8.000 1.00 0.00 C ATOM 349 O GLU A 27 2.679 8.216 -7.143 1.00 0.00 O ATOM 350 CB GLU A 27 3.997 8.013 -9.827 1.00 0.00 C ATOM 351 CG GLU A 27 4.716 8.255 -11.144 1.00 0.00 C ATOM 352 CD GLU A 27 5.131 6.967 -11.827 1.00 0.00 C ATOM 353 OE1 GLU A 27 4.295 6.042 -11.908 1.00 0.00 O ATOM 354 OE2 GLU A 27 6.292 6.883 -12.280 1.00 0.00 O ATOM 0 H GLU A 27 5.494 8.751 -7.795 1.00 0.00 H new ATOM 0 HA GLU A 27 3.623 10.119 -9.626 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.545 7.264 -9.256 1.00 0.00 H new ATOM 0 HB3 GLU A 27 3.010 7.598 -10.032 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.065 8.822 -11.810 1.00 0.00 H new ATOM 0 HG3 GLU A 27 5.599 8.868 -10.964 1.00 0.00 H new ATOM 361 N PRO A 28 1.660 9.965 -8.134 1.00 0.00 N ATOM 362 CA PRO A 28 0.472 9.929 -7.276 1.00 0.00 C ATOM 363 C PRO A 28 -0.401 8.708 -7.546 1.00 0.00 C ATOM 364 O PRO A 28 -0.485 8.231 -8.678 1.00 0.00 O ATOM 365 CB PRO A 28 -0.273 11.213 -7.649 1.00 0.00 C ATOM 366 CG PRO A 28 0.168 11.518 -9.038 1.00 0.00 C ATOM 367 CD PRO A 28 1.592 11.043 -9.135 1.00 0.00 C ATOM 0 HA PRO A 28 0.733 9.863 -6.220 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -1.353 11.073 -7.598 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -0.025 12.027 -6.967 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -0.463 11.011 -9.768 1.00 0.00 H new ATOM 0 HG3 PRO A 28 0.098 12.586 -9.244 1.00 0.00 H new ATOM 0 HD2 PRO A 28 1.827 10.678 -10.135 1.00 0.00 H new ATOM 0 HD3 PRO A 28 2.299 11.843 -8.913 1.00 0.00 H new ATOM 375 N TRP A 29 -1.049 8.207 -6.501 1.00 0.00 N ATOM 376 CA TRP A 29 -1.916 7.042 -6.626 1.00 0.00 C ATOM 377 C TRP A 29 -1.109 5.797 -6.980 1.00 0.00 C ATOM 378 O TRP A 29 -1.560 4.951 -7.752 1.00 0.00 O ATOM 379 CB TRP A 29 -2.987 7.289 -7.690 1.00 0.00 C ATOM 380 CG TRP A 29 -3.755 8.560 -7.476 1.00 0.00 C ATOM 381 CD1 TRP A 29 -3.956 9.558 -8.386 1.00 0.00 C ATOM 382 CD2 TRP A 29 -4.419 8.967 -6.276 1.00 0.00 C ATOM 383 NE1 TRP A 29 -4.707 10.562 -7.823 1.00 0.00 N ATOM 384 CE2 TRP A 29 -5.005 10.223 -6.529 1.00 0.00 C ATOM 385 CE3 TRP A 29 -4.580 8.392 -5.012 1.00 0.00 C ATOM 386 CZ2 TRP A 29 -5.736 10.912 -5.566 1.00 0.00 C ATOM 387 CZ3 TRP A 29 -5.306 9.077 -4.056 1.00 0.00 C ATOM 388 CH2 TRP A 29 -5.877 10.326 -4.337 1.00 0.00 C ATOM 0 H TRP A 29 -0.990 8.590 -5.557 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.400 6.877 -5.664 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -2.514 7.320 -8.671 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -3.682 6.450 -7.697 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -3.580 9.558 -9.399 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -4.996 11.420 -8.292 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -4.145 7.430 -4.787 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -6.176 11.875 -5.781 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -5.436 8.643 -3.076 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -6.439 10.836 -3.569 1.00 0.00 H new ATOM 399 N THR A 30 0.087 5.692 -6.411 1.00 0.00 N ATOM 400 CA THR A 30 0.958 4.551 -6.667 1.00 0.00 C ATOM 401 C THR A 30 0.931 3.566 -5.503 1.00 0.00 C ATOM 402 O THR A 30 1.334 3.897 -4.389 1.00 0.00 O ATOM 403 CB THR A 30 2.411 4.997 -6.913 1.00 0.00 C ATOM 404 OG1 THR A 30 2.484 5.800 -8.097 1.00 0.00 O ATOM 405 CG2 THR A 30 3.331 3.794 -7.053 1.00 0.00 C ATOM 0 H THR A 30 0.475 6.383 -5.769 1.00 0.00 H new ATOM 0 HA THR A 30 0.580 4.060 -7.564 1.00 0.00 H new ATOM 0 HB THR A 30 2.736 5.585 -6.055 1.00 0.00 H new ATOM 0 HG1 THR A 30 2.780 6.704 -7.861 1.00 0.00 H new ATOM 0 HG21 THR A 30 4.352 4.135 -7.226 1.00 0.00 H new ATOM 0 HG22 THR A 30 3.296 3.201 -6.139 1.00 0.00 H new ATOM 0 HG23 THR A 30 3.005 3.183 -7.894 1.00 0.00 H new ATOM 413 N PHE A 31 0.452 2.355 -5.770 1.00 0.00 N ATOM 414 CA PHE A 31 0.373 1.322 -4.745 1.00 0.00 C ATOM 415 C PHE A 31 1.448 0.259 -4.958 1.00 0.00 C ATOM 416 O PHE A 31 1.888 0.023 -6.084 1.00 0.00 O ATOM 417 CB PHE A 31 -1.012 0.672 -4.752 1.00 0.00 C ATOM 418 CG PHE A 31 -1.121 -0.496 -5.691 1.00 0.00 C ATOM 419 CD1 PHE A 31 -1.261 -0.295 -7.054 1.00 0.00 C ATOM 420 CD2 PHE A 31 -1.084 -1.794 -5.208 1.00 0.00 C ATOM 421 CE1 PHE A 31 -1.361 -1.368 -7.920 1.00 0.00 C ATOM 422 CE2 PHE A 31 -1.183 -2.871 -6.070 1.00 0.00 C ATOM 423 CZ PHE A 31 -1.323 -2.657 -7.427 1.00 0.00 C ATOM 0 H PHE A 31 0.113 2.066 -6.687 1.00 0.00 H new ATOM 0 HA PHE A 31 0.541 1.793 -3.777 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.254 0.340 -3.742 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -1.755 1.421 -5.028 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.292 0.711 -7.445 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -0.977 -1.967 -4.147 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.469 -1.198 -8.981 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -1.151 -3.878 -5.682 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.403 -3.497 -8.102 1.00 0.00 H new ATOM 433 N LEU A 32 1.865 -0.378 -3.871 1.00 0.00 N ATOM 434 CA LEU A 32 2.889 -1.415 -3.937 1.00 0.00 C ATOM 435 C LEU A 32 2.658 -2.478 -2.867 1.00 0.00 C ATOM 436 O LEU A 32 2.488 -2.160 -1.689 1.00 0.00 O ATOM 437 CB LEU A 32 4.278 -0.800 -3.770 1.00 0.00 C ATOM 438 CG LEU A 32 4.791 -0.681 -2.333 1.00 0.00 C ATOM 439 CD1 LEU A 32 5.448 -1.979 -1.891 1.00 0.00 C ATOM 440 CD2 LEU A 32 5.766 0.481 -2.210 1.00 0.00 C ATOM 0 H LEU A 32 1.510 -0.195 -2.932 1.00 0.00 H new ATOM 0 HA LEU A 32 2.825 -1.891 -4.915 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.989 -1.398 -4.340 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.269 0.195 -4.215 1.00 0.00 H new ATOM 0 HG LEU A 32 3.941 -0.487 -1.679 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.806 -1.875 -0.867 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.721 -2.790 -1.941 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.288 -2.204 -2.548 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.121 0.551 -1.182 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.613 0.317 -2.876 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.263 1.408 -2.484 1.00 0.00 H new ATOM 452 N VAL A 33 2.655 -3.739 -3.283 1.00 0.00 N ATOM 453 CA VAL A 33 2.449 -4.849 -2.361 1.00 0.00 C ATOM 454 C VAL A 33 3.779 -5.425 -1.887 1.00 0.00 C ATOM 455 O VAL A 33 4.697 -5.626 -2.683 1.00 0.00 O ATOM 456 CB VAL A 33 1.617 -5.972 -3.009 1.00 0.00 C ATOM 457 CG1 VAL A 33 1.281 -7.046 -1.987 1.00 0.00 C ATOM 458 CG2 VAL A 33 0.351 -5.403 -3.633 1.00 0.00 C ATOM 0 H VAL A 33 2.793 -4.018 -4.254 1.00 0.00 H new ATOM 0 HA VAL A 33 1.903 -4.451 -1.505 1.00 0.00 H new ATOM 0 HB VAL A 33 2.211 -6.431 -3.800 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.693 -7.830 -2.463 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.203 -7.473 -1.591 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.706 -6.606 -1.172 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.225 -6.209 -4.086 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.248 -4.918 -2.862 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.618 -4.674 -4.398 1.00 0.00 H new ATOM 468 N ARG A 34 3.874 -5.689 -0.588 1.00 0.00 N ATOM 469 CA ARG A 34 5.093 -6.242 -0.009 1.00 0.00 C ATOM 470 C ARG A 34 4.764 -7.230 1.106 1.00 0.00 C ATOM 471 O ARG A 34 3.597 -7.459 1.422 1.00 0.00 O ATOM 472 CB ARG A 34 5.980 -5.119 0.533 1.00 0.00 C ATOM 473 CG ARG A 34 5.436 -4.470 1.795 1.00 0.00 C ATOM 474 CD ARG A 34 6.522 -3.715 2.546 1.00 0.00 C ATOM 475 NE ARG A 34 5.981 -2.597 3.313 1.00 0.00 N ATOM 476 CZ ARG A 34 5.575 -1.457 2.764 1.00 0.00 C ATOM 477 NH1 ARG A 34 5.648 -1.288 1.452 1.00 0.00 N ATOM 478 NH2 ARG A 34 5.095 -0.485 3.530 1.00 0.00 N ATOM 0 H ARG A 34 3.123 -5.529 0.083 1.00 0.00 H new ATOM 0 HA ARG A 34 5.631 -6.773 -0.794 1.00 0.00 H new ATOM 0 HB2 ARG A 34 6.973 -5.519 0.739 1.00 0.00 H new ATOM 0 HB3 ARG A 34 6.097 -4.356 -0.237 1.00 0.00 H new ATOM 0 HG2 ARG A 34 4.629 -3.785 1.534 1.00 0.00 H new ATOM 0 HG3 ARG A 34 5.008 -5.235 2.443 1.00 0.00 H new ATOM 0 HD2 ARG A 34 7.040 -4.399 3.218 1.00 0.00 H new ATOM 0 HD3 ARG A 34 7.262 -3.344 1.837 1.00 0.00 H new ATOM 0 HE ARG A 34 5.911 -2.696 4.326 1.00 0.00 H new ATOM 0 HH11 ARG A 34 6.016 -2.034 0.861 1.00 0.00 H new ATOM 0 HH12 ARG A 34 5.336 -0.412 1.032 1.00 0.00 H new ATOM 0 HH21 ARG A 34 5.038 -0.613 4.540 1.00 0.00 H new ATOM 0 HH22 ARG A 34 4.783 0.390 3.108 1.00 0.00 H new ATOM 492 N GLU A 35 5.802 -7.811 1.699 1.00 0.00 N ATOM 493 CA GLU A 35 5.623 -8.776 2.779 1.00 0.00 C ATOM 494 C GLU A 35 5.869 -8.125 4.136 1.00 0.00 C ATOM 495 O GLU A 35 6.879 -7.451 4.340 1.00 0.00 O ATOM 496 CB GLU A 35 6.569 -9.964 2.593 1.00 0.00 C ATOM 497 CG GLU A 35 5.977 -11.088 1.758 1.00 0.00 C ATOM 498 CD GLU A 35 5.210 -12.094 2.594 1.00 0.00 C ATOM 499 OE1 GLU A 35 5.635 -12.363 3.737 1.00 0.00 O ATOM 500 OE2 GLU A 35 4.184 -12.612 2.105 1.00 0.00 O ATOM 0 H GLU A 35 6.775 -7.631 1.451 1.00 0.00 H new ATOM 0 HA GLU A 35 4.593 -9.132 2.747 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.487 -9.616 2.120 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.844 -10.356 3.572 1.00 0.00 H new ATOM 0 HG2 GLU A 35 5.312 -10.665 1.005 1.00 0.00 H new ATOM 0 HG3 GLU A 35 6.778 -11.600 1.225 1.00 0.00 H new ATOM 507 N SER A 36 4.937 -8.329 5.062 1.00 0.00 N ATOM 508 CA SER A 36 5.049 -7.758 6.399 1.00 0.00 C ATOM 509 C SER A 36 6.222 -8.374 7.156 1.00 0.00 C ATOM 510 O SER A 36 6.476 -9.575 7.060 1.00 0.00 O ATOM 511 CB SER A 36 3.752 -7.978 7.180 1.00 0.00 C ATOM 512 OG SER A 36 3.815 -7.364 8.456 1.00 0.00 O ATOM 0 H SER A 36 4.096 -8.886 4.911 1.00 0.00 H new ATOM 0 HA SER A 36 5.227 -6.687 6.297 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.912 -7.571 6.618 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.570 -9.046 7.296 1.00 0.00 H new ATOM 0 HG SER A 36 2.974 -7.517 8.935 1.00 0.00 H new ATOM 586 N ASP A 42 1.688 -12.082 6.394 1.00 0.00 N ATOM 587 CA ASP A 42 0.895 -10.874 6.191 1.00 0.00 C ATOM 588 C ASP A 42 1.544 -9.969 5.148 1.00 0.00 C ATOM 589 O ASP A 42 2.740 -10.075 4.876 1.00 0.00 O ATOM 590 CB ASP A 42 0.731 -10.119 7.510 1.00 0.00 C ATOM 591 CG ASP A 42 -0.480 -10.582 8.295 1.00 0.00 C ATOM 592 OD1 ASP A 42 -0.738 -11.804 8.322 1.00 0.00 O ATOM 593 OD2 ASP A 42 -1.171 -9.723 8.883 1.00 0.00 O ATOM 0 HA ASP A 42 -0.089 -11.170 5.827 1.00 0.00 H new ATOM 0 HB2 ASP A 42 1.627 -10.254 8.116 1.00 0.00 H new ATOM 0 HB3 ASP A 42 0.642 -9.052 7.306 1.00 0.00 H new ATOM 598 N PHE A 43 0.746 -9.080 4.566 1.00 0.00 N ATOM 599 CA PHE A 43 1.241 -8.156 3.552 1.00 0.00 C ATOM 600 C PHE A 43 0.885 -6.716 3.909 1.00 0.00 C ATOM 601 O PHE A 43 -0.041 -6.465 4.678 1.00 0.00 O ATOM 602 CB PHE A 43 0.661 -8.513 2.182 1.00 0.00 C ATOM 603 CG PHE A 43 1.076 -9.870 1.690 1.00 0.00 C ATOM 604 CD1 PHE A 43 0.543 -11.018 2.254 1.00 0.00 C ATOM 605 CD2 PHE A 43 1.999 -9.998 0.664 1.00 0.00 C ATOM 606 CE1 PHE A 43 0.922 -12.268 1.804 1.00 0.00 C ATOM 607 CE2 PHE A 43 2.382 -11.246 0.210 1.00 0.00 C ATOM 608 CZ PHE A 43 1.843 -12.383 0.781 1.00 0.00 C ATOM 0 H PHE A 43 -0.246 -8.980 4.779 1.00 0.00 H new ATOM 0 HA PHE A 43 2.327 -8.244 3.513 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -0.427 -8.472 2.235 1.00 0.00 H new ATOM 0 HB3 PHE A 43 0.973 -7.761 1.457 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -0.177 -10.935 3.055 1.00 0.00 H new ATOM 0 HD2 PHE A 43 2.424 -9.113 0.214 1.00 0.00 H new ATOM 0 HE1 PHE A 43 0.498 -13.155 2.252 1.00 0.00 H new ATOM 0 HE2 PHE A 43 3.102 -11.332 -0.590 1.00 0.00 H new ATOM 0 HZ PHE A 43 2.141 -13.359 0.428 1.00 0.00 H new ATOM 618 N VAL A 44 1.631 -5.771 3.341 1.00 0.00 N ATOM 619 CA VAL A 44 1.395 -4.355 3.598 1.00 0.00 C ATOM 620 C VAL A 44 1.138 -3.597 2.300 1.00 0.00 C ATOM 621 O VAL A 44 1.989 -3.562 1.410 1.00 0.00 O ATOM 622 CB VAL A 44 2.588 -3.712 4.328 1.00 0.00 C ATOM 623 CG1 VAL A 44 2.332 -2.231 4.568 1.00 0.00 C ATOM 624 CG2 VAL A 44 2.862 -4.433 5.640 1.00 0.00 C ATOM 0 H VAL A 44 2.402 -5.961 2.701 1.00 0.00 H new ATOM 0 HA VAL A 44 0.512 -4.290 4.234 1.00 0.00 H new ATOM 0 HB VAL A 44 3.471 -3.806 3.697 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.186 -1.793 5.085 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.189 -1.727 3.612 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.437 -2.111 5.179 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.709 -3.965 6.142 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.981 -4.372 6.280 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.093 -5.479 5.439 1.00 0.00 H new ATOM 634 N LEU A 45 -0.040 -2.991 2.198 1.00 0.00 N ATOM 635 CA LEU A 45 -0.410 -2.233 1.009 1.00 0.00 C ATOM 636 C LEU A 45 -0.046 -0.760 1.168 1.00 0.00 C ATOM 637 O LEU A 45 -0.722 -0.015 1.878 1.00 0.00 O ATOM 638 CB LEU A 45 -1.909 -2.372 0.737 1.00 0.00 C ATOM 639 CG LEU A 45 -2.335 -2.289 -0.730 1.00 0.00 C ATOM 640 CD1 LEU A 45 -1.903 -0.962 -1.336 1.00 0.00 C ATOM 641 CD2 LEU A 45 -1.756 -3.452 -1.521 1.00 0.00 C ATOM 0 H LEU A 45 -0.755 -3.010 2.925 1.00 0.00 H new ATOM 0 HA LEU A 45 0.146 -2.637 0.163 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.244 -3.329 1.138 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.432 -1.593 1.291 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.422 -2.350 -0.777 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.214 -0.920 -2.380 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.366 -0.143 -0.786 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.818 -0.871 -1.277 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.070 -3.376 -2.562 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.668 -3.423 -1.467 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.115 -4.392 -1.102 1.00 0.00 H new ATOM 653 N SER A 46 1.027 -0.345 0.501 1.00 0.00 N ATOM 654 CA SER A 46 1.482 1.038 0.568 1.00 0.00 C ATOM 655 C SER A 46 1.079 1.805 -0.687 1.00 0.00 C ATOM 656 O SER A 46 1.442 1.430 -1.801 1.00 0.00 O ATOM 657 CB SER A 46 3.001 1.089 0.745 1.00 0.00 C ATOM 658 OG SER A 46 3.376 0.694 2.052 1.00 0.00 O ATOM 0 H SER A 46 1.597 -0.948 -0.092 1.00 0.00 H new ATOM 0 HA SER A 46 1.007 1.509 1.428 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.477 0.436 0.014 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.359 2.100 0.551 1.00 0.00 H new ATOM 0 HG SER A 46 3.261 1.448 2.667 1.00 0.00 H new ATOM 664 N VAL A 47 0.323 2.883 -0.497 1.00 0.00 N ATOM 665 CA VAL A 47 -0.130 3.705 -1.613 1.00 0.00 C ATOM 666 C VAL A 47 0.274 5.162 -1.422 1.00 0.00 C ATOM 667 O VAL A 47 0.158 5.712 -0.326 1.00 0.00 O ATOM 668 CB VAL A 47 -1.659 3.626 -1.782 1.00 0.00 C ATOM 669 CG1 VAL A 47 -2.055 3.946 -3.216 1.00 0.00 C ATOM 670 CG2 VAL A 47 -2.170 2.252 -1.375 1.00 0.00 C ATOM 0 H VAL A 47 0.012 3.207 0.419 1.00 0.00 H new ATOM 0 HA VAL A 47 0.349 3.313 -2.510 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.118 4.368 -1.128 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.139 3.885 -3.316 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.723 4.953 -3.469 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.587 3.229 -3.891 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.252 2.214 -1.501 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.705 1.491 -2.001 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.919 2.065 -0.331 1.00 0.00 H new ATOM 680 N LEU A 48 0.751 5.784 -2.495 1.00 0.00 N ATOM 681 CA LEU A 48 1.172 7.180 -2.446 1.00 0.00 C ATOM 682 C LEU A 48 0.012 8.111 -2.782 1.00 0.00 C ATOM 683 O LEU A 48 -0.604 7.994 -3.841 1.00 0.00 O ATOM 684 CB LEU A 48 2.330 7.416 -3.418 1.00 0.00 C ATOM 685 CG LEU A 48 3.179 8.661 -3.159 1.00 0.00 C ATOM 686 CD1 LEU A 48 3.811 8.599 -1.777 1.00 0.00 C ATOM 687 CD2 LEU A 48 4.250 8.809 -4.230 1.00 0.00 C ATOM 0 H LEU A 48 0.856 5.344 -3.409 1.00 0.00 H new ATOM 0 HA LEU A 48 1.506 7.399 -1.432 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.983 6.544 -3.393 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.924 7.481 -4.427 1.00 0.00 H new ATOM 0 HG LEU A 48 2.529 9.535 -3.200 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.411 9.494 -1.611 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.028 8.542 -1.021 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.447 7.717 -1.707 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.844 9.700 -4.029 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.897 7.932 -4.221 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.777 8.901 -5.208 1.00 0.00 H new ATOM 699 N SER A 49 -0.279 9.037 -1.874 1.00 0.00 N ATOM 700 CA SER A 49 -1.365 9.989 -2.073 1.00 0.00 C ATOM 701 C SER A 49 -0.872 11.230 -2.809 1.00 0.00 C ATOM 702 O SER A 49 0.268 11.661 -2.630 1.00 0.00 O ATOM 703 CB SER A 49 -1.974 10.387 -0.728 1.00 0.00 C ATOM 704 OG SER A 49 -0.968 10.755 0.199 1.00 0.00 O ATOM 0 H SER A 49 0.223 9.148 -0.993 1.00 0.00 H new ATOM 0 HA SER A 49 -2.130 9.508 -2.682 1.00 0.00 H new ATOM 0 HB2 SER A 49 -2.664 11.219 -0.870 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.555 9.556 -0.328 1.00 0.00 H new ATOM 0 HG SER A 49 -0.403 9.979 0.393 1.00 0.00 H new ATOM 710 N ASP A 50 -1.739 11.802 -3.638 1.00 0.00 N ATOM 711 CA ASP A 50 -1.394 12.995 -4.402 1.00 0.00 C ATOM 712 C ASP A 50 -1.267 14.209 -3.487 1.00 0.00 C ATOM 713 O ASP A 50 -0.970 15.312 -3.942 1.00 0.00 O ATOM 714 CB ASP A 50 -2.448 13.260 -5.478 1.00 0.00 C ATOM 715 CG ASP A 50 -2.514 14.722 -5.875 1.00 0.00 C ATOM 716 OD1 ASP A 50 -1.691 15.146 -6.713 1.00 0.00 O ATOM 717 OD2 ASP A 50 -3.389 15.441 -5.349 1.00 0.00 O ATOM 0 H ASP A 50 -2.686 11.458 -3.798 1.00 0.00 H new ATOM 0 HA ASP A 50 -0.431 12.823 -4.882 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -2.224 12.657 -6.358 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -3.424 12.941 -5.113 1.00 0.00 H new ATOM 722 N GLN A 51 -1.495 13.995 -2.194 1.00 0.00 N ATOM 723 CA GLN A 51 -1.407 15.072 -1.216 1.00 0.00 C ATOM 724 C GLN A 51 -0.077 15.025 -0.471 1.00 0.00 C ATOM 725 O GLN A 51 0.290 14.014 0.130 1.00 0.00 O ATOM 726 CB GLN A 51 -2.566 14.982 -0.221 1.00 0.00 C ATOM 727 CG GLN A 51 -3.862 15.583 -0.741 1.00 0.00 C ATOM 728 CD GLN A 51 -4.777 16.049 0.374 1.00 0.00 C ATOM 729 OE1 GLN A 51 -5.306 15.242 1.138 1.00 0.00 O ATOM 730 NE2 GLN A 51 -4.968 17.361 0.473 1.00 0.00 N ATOM 0 H GLN A 51 -1.742 13.087 -1.801 1.00 0.00 H new ATOM 0 HA GLN A 51 -1.469 16.020 -1.751 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -2.736 13.936 0.032 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -2.283 15.491 0.701 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -3.632 16.426 -1.393 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -4.383 14.843 -1.348 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -4.509 17.994 -0.182 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -5.573 17.735 1.204 1.00 0.00 H new ATOM 739 N PRO A 52 0.663 16.142 -0.509 1.00 0.00 N ATOM 740 CA PRO A 52 1.965 16.252 0.158 1.00 0.00 C ATOM 741 C PRO A 52 1.837 16.272 1.678 1.00 0.00 C ATOM 742 O PRO A 52 0.778 16.591 2.218 1.00 0.00 O ATOM 743 CB PRO A 52 2.511 17.590 -0.350 1.00 0.00 C ATOM 744 CG PRO A 52 1.301 18.380 -0.712 1.00 0.00 C ATOM 745 CD PRO A 52 0.287 17.384 -1.206 1.00 0.00 C ATOM 0 HA PRO A 52 2.610 15.401 -0.062 1.00 0.00 H new ATOM 0 HB2 PRO A 52 3.098 18.095 0.417 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.164 17.450 -1.211 1.00 0.00 H new ATOM 0 HG2 PRO A 52 0.921 18.929 0.150 1.00 0.00 H new ATOM 0 HG3 PRO A 52 1.532 19.116 -1.482 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -0.730 17.690 -0.961 1.00 0.00 H new ATOM 0 HD3 PRO A 52 0.333 17.267 -2.289 1.00 0.00 H new ATOM 753 N LYS A 53 2.924 15.929 2.362 1.00 0.00 N ATOM 754 CA LYS A 53 2.935 15.908 3.819 1.00 0.00 C ATOM 755 C LYS A 53 3.185 17.304 4.382 1.00 0.00 C ATOM 756 O LYS A 53 2.640 17.672 5.421 1.00 0.00 O ATOM 757 CB LYS A 53 4.007 14.942 4.328 1.00 0.00 C ATOM 758 CG LYS A 53 5.406 15.274 3.838 1.00 0.00 C ATOM 759 CD LYS A 53 6.413 14.221 4.269 1.00 0.00 C ATOM 760 CE LYS A 53 6.673 14.279 5.767 1.00 0.00 C ATOM 761 NZ LYS A 53 7.333 15.553 6.167 1.00 0.00 N ATOM 0 H LYS A 53 3.808 15.662 1.930 1.00 0.00 H new ATOM 0 HA LYS A 53 1.957 15.568 4.159 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.002 14.948 5.418 1.00 0.00 H new ATOM 0 HB3 LYS A 53 3.751 13.930 4.014 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.403 15.352 2.751 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.707 16.247 4.226 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.044 13.231 4.001 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.349 14.369 3.730 1.00 0.00 H new ATOM 0 HE2 LYS A 53 5.730 14.175 6.303 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.301 13.437 6.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.750 15.446 7.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 8.082 15.786 5.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 6.629 16.318 6.183 1.00 0.00 H new ATOM 813 N SER A 58 7.385 19.157 -0.479 1.00 0.00 N ATOM 814 CA SER A 58 7.439 17.956 0.346 1.00 0.00 C ATOM 815 C SER A 58 6.970 16.736 -0.439 1.00 0.00 C ATOM 816 O SER A 58 6.157 16.831 -1.359 1.00 0.00 O ATOM 817 CB SER A 58 6.577 18.134 1.597 1.00 0.00 C ATOM 818 OG SER A 58 5.198 18.137 1.271 1.00 0.00 O ATOM 0 HA SER A 58 8.475 17.796 0.646 1.00 0.00 H new ATOM 0 HB2 SER A 58 6.785 17.330 2.303 1.00 0.00 H new ATOM 0 HB3 SER A 58 6.839 19.069 2.092 1.00 0.00 H new ATOM 0 HG SER A 58 4.669 18.251 2.088 1.00 0.00 H new ATOM 824 N PRO A 59 7.496 15.558 -0.070 1.00 0.00 N ATOM 825 CA PRO A 59 7.146 14.294 -0.726 1.00 0.00 C ATOM 826 C PRO A 59 5.715 13.861 -0.425 1.00 0.00 C ATOM 827 O PRO A 59 5.212 14.068 0.680 1.00 0.00 O ATOM 828 CB PRO A 59 8.142 13.297 -0.130 1.00 0.00 C ATOM 829 CG PRO A 59 8.512 13.876 1.193 1.00 0.00 C ATOM 830 CD PRO A 59 8.470 15.369 1.017 1.00 0.00 C ATOM 0 HA PRO A 59 7.197 14.371 -1.812 1.00 0.00 H new ATOM 0 HB2 PRO A 59 7.695 12.309 -0.019 1.00 0.00 H new ATOM 0 HB3 PRO A 59 9.017 13.181 -0.770 1.00 0.00 H new ATOM 0 HG2 PRO A 59 7.816 13.555 1.968 1.00 0.00 H new ATOM 0 HG3 PRO A 59 9.505 13.547 1.499 1.00 0.00 H new ATOM 0 HD2 PRO A 59 8.155 15.872 1.931 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.449 15.770 0.754 1.00 0.00 H new ATOM 838 N LEU A 60 5.064 13.260 -1.416 1.00 0.00 N ATOM 839 CA LEU A 60 3.690 12.797 -1.256 1.00 0.00 C ATOM 840 C LEU A 60 3.569 11.847 -0.068 1.00 0.00 C ATOM 841 O LEU A 60 4.429 10.994 0.146 1.00 0.00 O ATOM 842 CB LEU A 60 3.215 12.099 -2.532 1.00 0.00 C ATOM 843 CG LEU A 60 2.686 13.012 -3.639 1.00 0.00 C ATOM 844 CD1 LEU A 60 3.372 14.368 -3.586 1.00 0.00 C ATOM 845 CD2 LEU A 60 2.883 12.366 -5.003 1.00 0.00 C ATOM 0 H LEU A 60 5.465 13.082 -2.337 1.00 0.00 H new ATOM 0 HA LEU A 60 3.060 13.666 -1.068 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.044 11.517 -2.934 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.429 11.392 -2.265 1.00 0.00 H new ATOM 0 HG LEU A 60 1.618 13.161 -3.481 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.983 15.004 -4.381 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.180 14.836 -2.620 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.446 14.238 -3.719 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.501 13.030 -5.779 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.945 12.186 -5.170 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.345 11.419 -5.038 1.00 0.00 H new ATOM 857 N ARG A 61 2.493 12.000 0.698 1.00 0.00 N ATOM 858 CA ARG A 61 2.259 11.156 1.862 1.00 0.00 C ATOM 859 C ARG A 61 1.895 9.736 1.440 1.00 0.00 C ATOM 860 O ARG A 61 1.242 9.530 0.416 1.00 0.00 O ATOM 861 CB ARG A 61 1.145 11.744 2.730 1.00 0.00 C ATOM 862 CG ARG A 61 1.031 11.094 4.099 1.00 0.00 C ATOM 863 CD ARG A 61 1.979 11.734 5.100 1.00 0.00 C ATOM 864 NE ARG A 61 1.627 11.404 6.478 1.00 0.00 N ATOM 865 CZ ARG A 61 1.991 12.134 7.525 1.00 0.00 C ATOM 866 NH1 ARG A 61 2.714 13.232 7.353 1.00 0.00 N ATOM 867 NH2 ARG A 61 1.631 11.767 8.749 1.00 0.00 N ATOM 0 H ARG A 61 1.770 12.701 0.533 1.00 0.00 H new ATOM 0 HA ARG A 61 3.180 11.118 2.443 1.00 0.00 H new ATOM 0 HB2 ARG A 61 1.321 12.812 2.858 1.00 0.00 H new ATOM 0 HB3 ARG A 61 0.195 11.638 2.207 1.00 0.00 H new ATOM 0 HG2 ARG A 61 0.006 11.181 4.460 1.00 0.00 H new ATOM 0 HG3 ARG A 61 1.251 10.030 4.017 1.00 0.00 H new ATOM 0 HD2 ARG A 61 2.997 11.403 4.897 1.00 0.00 H new ATOM 0 HD3 ARG A 61 1.964 12.816 4.972 1.00 0.00 H new ATOM 0 HE ARG A 61 1.070 10.566 6.645 1.00 0.00 H new ATOM 0 HH11 ARG A 61 2.992 13.518 6.414 1.00 0.00 H new ATOM 0 HH12 ARG A 61 2.992 13.791 8.160 1.00 0.00 H new ATOM 0 HH21 ARG A 61 1.074 10.923 8.885 1.00 0.00 H new ATOM 0 HH22 ARG A 61 1.911 12.329 9.553 1.00 0.00 H new ATOM 881 N VAL A 62 2.320 8.759 2.235 1.00 0.00 N ATOM 882 CA VAL A 62 2.038 7.359 1.944 1.00 0.00 C ATOM 883 C VAL A 62 1.055 6.776 2.953 1.00 0.00 C ATOM 884 O VAL A 62 0.910 7.287 4.064 1.00 0.00 O ATOM 885 CB VAL A 62 3.325 6.513 1.951 1.00 0.00 C ATOM 886 CG1 VAL A 62 3.002 5.046 1.714 1.00 0.00 C ATOM 887 CG2 VAL A 62 4.305 7.028 0.907 1.00 0.00 C ATOM 0 H VAL A 62 2.861 8.912 3.086 1.00 0.00 H new ATOM 0 HA VAL A 62 1.596 7.326 0.948 1.00 0.00 H new ATOM 0 HB VAL A 62 3.793 6.602 2.931 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.924 4.464 1.722 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.340 4.687 2.502 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.511 4.933 0.748 1.00 0.00 H new ATOM 0 HG21 VAL A 62 5.209 6.419 0.925 1.00 0.00 H new ATOM 0 HG22 VAL A 62 3.848 6.970 -0.081 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.561 8.064 1.128 1.00 0.00 H new ATOM 897 N THR A 63 0.379 5.699 2.560 1.00 0.00 N ATOM 898 CA THR A 63 -0.591 5.046 3.428 1.00 0.00 C ATOM 899 C THR A 63 -0.344 3.542 3.495 1.00 0.00 C ATOM 900 O THR A 63 -0.426 2.846 2.484 1.00 0.00 O ATOM 901 CB THR A 63 -2.032 5.298 2.949 1.00 0.00 C ATOM 902 OG1 THR A 63 -2.236 6.697 2.722 1.00 0.00 O ATOM 903 CG2 THR A 63 -3.039 4.794 3.973 1.00 0.00 C ATOM 0 H THR A 63 0.487 5.262 1.645 1.00 0.00 H new ATOM 0 HA THR A 63 -0.466 5.476 4.422 1.00 0.00 H new ATOM 0 HB THR A 63 -2.181 4.753 2.017 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.155 6.848 2.416 1.00 0.00 H new ATOM 0 HG21 THR A 63 -4.050 4.983 3.613 1.00 0.00 H new ATOM 0 HG22 THR A 63 -2.901 3.723 4.122 1.00 0.00 H new ATOM 0 HG23 THR A 63 -2.888 5.314 4.919 1.00 0.00 H new ATOM 911 N HIS A 64 -0.045 3.050 4.692 1.00 0.00 N ATOM 912 CA HIS A 64 0.212 1.627 4.890 1.00 0.00 C ATOM 913 C HIS A 64 -1.043 0.912 5.380 1.00 0.00 C ATOM 914 O HIS A 64 -1.424 1.033 6.544 1.00 0.00 O ATOM 915 CB HIS A 64 1.350 1.428 5.891 1.00 0.00 C ATOM 916 CG HIS A 64 2.547 2.285 5.616 1.00 0.00 C ATOM 917 ND1 HIS A 64 3.379 2.090 4.532 1.00 0.00 N ATOM 918 CD2 HIS A 64 3.052 3.345 6.289 1.00 0.00 C ATOM 919 CE1 HIS A 64 4.343 2.993 4.552 1.00 0.00 C ATOM 920 NE2 HIS A 64 4.167 3.768 5.607 1.00 0.00 N ATOM 0 H HIS A 64 0.026 3.614 5.539 1.00 0.00 H new ATOM 0 HA HIS A 64 0.502 1.198 3.931 1.00 0.00 H new ATOM 0 HB2 HIS A 64 0.982 1.643 6.894 1.00 0.00 H new ATOM 0 HB3 HIS A 64 1.653 0.381 5.881 1.00 0.00 H new ATOM 0 HD2 HIS A 64 2.653 3.778 7.194 1.00 0.00 H new ATOM 0 HE1 HIS A 64 5.140 3.082 3.828 1.00 0.00 H new ATOM 0 HE2 HIS A 64 4.762 4.553 5.872 1.00 0.00 H new ATOM 929 N ILE A 65 -1.682 0.167 4.483 1.00 0.00 N ATOM 930 CA ILE A 65 -2.893 -0.567 4.825 1.00 0.00 C ATOM 931 C ILE A 65 -2.601 -2.051 5.015 1.00 0.00 C ATOM 932 O ILE A 65 -2.338 -2.772 4.053 1.00 0.00 O ATOM 933 CB ILE A 65 -3.975 -0.403 3.741 1.00 0.00 C ATOM 934 CG1 ILE A 65 -4.317 1.076 3.549 1.00 0.00 C ATOM 935 CG2 ILE A 65 -5.220 -1.197 4.110 1.00 0.00 C ATOM 936 CD1 ILE A 65 -4.845 1.400 2.170 1.00 0.00 C ATOM 0 H ILE A 65 -1.381 0.057 3.515 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.262 -0.149 5.762 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.586 -0.791 2.800 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.060 1.368 4.291 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.425 1.674 3.738 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.975 -1.071 3.334 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.965 -2.253 4.200 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.613 -0.837 5.061 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.066 2.465 2.106 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.095 1.140 1.423 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.755 0.829 1.985 1.00 0.00 H new ATOM 948 N LYS A 66 -2.650 -2.502 6.264 1.00 0.00 N ATOM 949 CA LYS A 66 -2.394 -3.901 6.583 1.00 0.00 C ATOM 950 C LYS A 66 -3.272 -4.822 5.740 1.00 0.00 C ATOM 951 O LYS A 66 -4.493 -4.665 5.699 1.00 0.00 O ATOM 952 CB LYS A 66 -2.645 -4.162 8.069 1.00 0.00 C ATOM 953 CG LYS A 66 -1.523 -3.674 8.971 1.00 0.00 C ATOM 954 CD LYS A 66 -1.421 -4.511 10.235 1.00 0.00 C ATOM 955 CE LYS A 66 -0.871 -3.699 11.397 1.00 0.00 C ATOM 956 NZ LYS A 66 -1.875 -2.732 11.923 1.00 0.00 N ATOM 0 H LYS A 66 -2.865 -1.918 7.072 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.350 -4.113 6.354 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.574 -3.674 8.363 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -2.784 -5.232 8.223 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -0.577 -3.713 8.430 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -1.696 -2.631 9.237 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -2.405 -4.901 10.495 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.776 -5.371 10.053 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -0.562 -4.372 12.196 1.00 0.00 H new ATOM 0 HE3 LYS A 66 0.019 -3.159 11.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -1.559 -2.371 12.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -1.975 -1.939 11.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -2.792 -3.209 12.033 1.00 0.00 H new ATOM 970 N VAL A 67 -2.643 -5.781 5.069 1.00 0.00 N ATOM 971 CA VAL A 67 -3.367 -6.728 4.230 1.00 0.00 C ATOM 972 C VAL A 67 -3.358 -8.124 4.841 1.00 0.00 C ATOM 973 O VAL A 67 -2.341 -8.816 4.819 1.00 0.00 O ATOM 974 CB VAL A 67 -2.766 -6.796 2.813 1.00 0.00 C ATOM 975 CG1 VAL A 67 -3.440 -7.889 1.998 1.00 0.00 C ATOM 976 CG2 VAL A 67 -2.888 -5.449 2.118 1.00 0.00 C ATOM 0 H VAL A 67 -1.633 -5.923 5.090 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.395 -6.370 4.165 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.707 -7.041 2.898 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.002 -7.921 1.000 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.295 -8.851 2.489 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.507 -7.679 1.919 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -2.459 -5.515 1.118 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -3.940 -5.172 2.044 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -2.353 -4.693 2.693 1.00 0.00 H new ATOM 986 N MET A 68 -4.499 -8.533 5.387 1.00 0.00 N ATOM 987 CA MET A 68 -4.622 -9.849 6.003 1.00 0.00 C ATOM 988 C MET A 68 -4.690 -10.942 4.942 1.00 0.00 C ATOM 989 O MET A 68 -5.553 -10.915 4.064 1.00 0.00 O ATOM 990 CB MET A 68 -5.867 -9.905 6.891 1.00 0.00 C ATOM 991 CG MET A 68 -5.757 -9.056 8.147 1.00 0.00 C ATOM 992 SD MET A 68 -7.309 -8.960 9.059 1.00 0.00 S ATOM 993 CE MET A 68 -8.036 -7.491 8.336 1.00 0.00 C ATOM 0 H MET A 68 -5.351 -7.972 5.415 1.00 0.00 H new ATOM 0 HA MET A 68 -3.738 -10.019 6.618 1.00 0.00 H new ATOM 0 HB2 MET A 68 -6.730 -9.574 6.313 1.00 0.00 H new ATOM 0 HB3 MET A 68 -6.053 -10.940 7.177 1.00 0.00 H new ATOM 0 HG2 MET A 68 -4.985 -9.471 8.795 1.00 0.00 H new ATOM 0 HG3 MET A 68 -5.438 -8.050 7.874 1.00 0.00 H new ATOM 0 HE1 MET A 68 -9.121 -7.597 8.310 1.00 0.00 H new ATOM 0 HE2 MET A 68 -7.771 -6.621 8.936 1.00 0.00 H new ATOM 0 HE3 MET A 68 -7.660 -7.361 7.321 1.00 0.00 H new ATOM 1003 N CYS A 69 -3.777 -11.903 5.029 1.00 0.00 N ATOM 1004 CA CYS A 69 -3.733 -13.006 4.075 1.00 0.00 C ATOM 1005 C CYS A 69 -3.871 -14.347 4.788 1.00 0.00 C ATOM 1006 O CYS A 69 -2.906 -14.862 5.352 1.00 0.00 O ATOM 1007 CB CYS A 69 -2.427 -12.968 3.281 1.00 0.00 C ATOM 1008 SG CYS A 69 -2.188 -14.387 2.185 1.00 0.00 S ATOM 0 H CYS A 69 -3.057 -11.941 5.750 1.00 0.00 H new ATOM 0 HA CYS A 69 -4.571 -12.893 3.387 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -2.402 -12.055 2.686 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -1.591 -12.917 3.979 1.00 0.00 H new ATOM 0 HG CYS A 69 -2.411 -14.028 0.956 1.00 0.00 H new ATOM 1043 N ARG A 73 -6.575 -16.381 0.651 1.00 0.00 N ATOM 1044 CA ARG A 73 -7.353 -15.198 0.303 1.00 0.00 C ATOM 1045 C ARG A 73 -6.733 -13.943 0.912 1.00 0.00 C ATOM 1046 O ARG A 73 -5.699 -14.008 1.577 1.00 0.00 O ATOM 1047 CB ARG A 73 -8.797 -15.350 0.782 1.00 0.00 C ATOM 1048 CG ARG A 73 -8.914 -15.763 2.240 1.00 0.00 C ATOM 1049 CD ARG A 73 -8.942 -17.276 2.391 1.00 0.00 C ATOM 1050 NE ARG A 73 -10.301 -17.808 2.337 1.00 0.00 N ATOM 1051 CZ ARG A 73 -10.641 -19.004 2.802 1.00 0.00 C ATOM 1052 NH1 ARG A 73 -9.726 -19.790 3.351 1.00 0.00 N ATOM 1053 NH2 ARG A 73 -11.899 -19.418 2.718 1.00 0.00 N ATOM 0 HA ARG A 73 -7.348 -15.097 -0.782 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -9.320 -14.405 0.638 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -9.301 -16.091 0.162 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -8.074 -15.356 2.803 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -9.821 -15.337 2.668 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -8.344 -17.730 1.601 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -8.482 -17.554 3.339 1.00 0.00 H new ATOM 0 HE ARG A 73 -11.029 -17.229 1.919 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -8.758 -19.476 3.417 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -9.990 -20.708 3.707 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -12.607 -18.817 2.296 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -12.158 -20.337 3.076 1.00 0.00 H new ATOM 1067 N TYR A 74 -7.373 -12.802 0.678 1.00 0.00 N ATOM 1068 CA TYR A 74 -6.883 -11.532 1.200 1.00 0.00 C ATOM 1069 C TYR A 74 -8.040 -10.652 1.664 1.00 0.00 C ATOM 1070 O TYR A 74 -9.128 -10.680 1.088 1.00 0.00 O ATOM 1071 CB TYR A 74 -6.067 -10.798 0.135 1.00 0.00 C ATOM 1072 CG TYR A 74 -4.866 -11.579 -0.352 1.00 0.00 C ATOM 1073 CD1 TYR A 74 -3.668 -11.558 0.352 1.00 0.00 C ATOM 1074 CD2 TYR A 74 -4.931 -12.338 -1.514 1.00 0.00 C ATOM 1075 CE1 TYR A 74 -2.569 -12.269 -0.089 1.00 0.00 C ATOM 1076 CE2 TYR A 74 -3.836 -13.053 -1.961 1.00 0.00 C ATOM 1077 CZ TYR A 74 -2.658 -13.015 -1.246 1.00 0.00 C ATOM 1078 OH TYR A 74 -1.566 -13.727 -1.687 1.00 0.00 O ATOM 0 H TYR A 74 -8.231 -12.731 0.131 1.00 0.00 H new ATOM 0 HA TYR A 74 -6.243 -11.744 2.056 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -6.712 -10.573 -0.714 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -5.730 -9.844 0.541 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -3.595 -10.976 1.259 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -5.852 -12.370 -2.077 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -1.645 -12.241 0.469 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -3.903 -13.639 -2.866 1.00 0.00 H new ATOM 0 HH TYR A 74 -1.796 -14.199 -2.515 1.00 0.00 H new ATOM 1088 N THR A 75 -7.797 -9.869 2.712 1.00 0.00 N ATOM 1089 CA THR A 75 -8.817 -8.981 3.255 1.00 0.00 C ATOM 1090 C THR A 75 -8.186 -7.770 3.933 1.00 0.00 C ATOM 1091 O THR A 75 -7.005 -7.787 4.282 1.00 0.00 O ATOM 1092 CB THR A 75 -9.716 -9.713 4.269 1.00 0.00 C ATOM 1093 OG1 THR A 75 -10.902 -8.948 4.513 1.00 0.00 O ATOM 1094 CG2 THR A 75 -8.978 -9.945 5.579 1.00 0.00 C ATOM 0 H THR A 75 -6.903 -9.833 3.201 1.00 0.00 H new ATOM 0 HA THR A 75 -9.426 -8.647 2.415 1.00 0.00 H new ATOM 0 HB THR A 75 -9.988 -10.681 3.848 1.00 0.00 H new ATOM 0 HG1 THR A 75 -10.976 -8.756 5.471 1.00 0.00 H new ATOM 0 HG21 THR A 75 -9.633 -10.463 6.279 1.00 0.00 H new ATOM 0 HG22 THR A 75 -8.091 -10.552 5.395 1.00 0.00 H new ATOM 0 HG23 THR A 75 -8.680 -8.986 6.003 1.00 0.00 H new ATOM 1102 N VAL A 76 -8.980 -6.720 4.118 1.00 0.00 N ATOM 1103 CA VAL A 76 -8.500 -5.501 4.757 1.00 0.00 C ATOM 1104 C VAL A 76 -9.599 -4.843 5.582 1.00 0.00 C ATOM 1105 O VAL A 76 -10.582 -4.340 5.039 1.00 0.00 O ATOM 1106 CB VAL A 76 -7.979 -4.491 3.717 1.00 0.00 C ATOM 1107 CG1 VAL A 76 -6.542 -4.809 3.337 1.00 0.00 C ATOM 1108 CG2 VAL A 76 -8.876 -4.482 2.488 1.00 0.00 C ATOM 0 H VAL A 76 -9.959 -6.689 3.834 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.680 -5.790 5.415 1.00 0.00 H new ATOM 0 HB VAL A 76 -7.999 -3.495 4.160 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.191 -4.085 2.602 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -5.911 -4.759 4.225 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.491 -5.811 2.912 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -8.493 -3.763 1.764 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -8.890 -5.476 2.040 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -9.888 -4.201 2.778 1.00 0.00 H new ATOM 1118 N GLY A 77 -9.428 -4.851 6.901 1.00 0.00 N ATOM 1119 CA GLY A 77 -10.414 -4.252 7.781 1.00 0.00 C ATOM 1120 C GLY A 77 -11.660 -5.104 7.921 1.00 0.00 C ATOM 1121 O GLY A 77 -12.054 -5.462 9.029 1.00 0.00 O ATOM 0 H GLY A 77 -8.624 -5.262 7.375 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -9.971 -4.097 8.765 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -10.690 -3.270 7.397 1.00 0.00 H new ATOM 1125 N GLY A 78 -12.284 -5.427 6.792 1.00 0.00 N ATOM 1126 CA GLY A 78 -13.487 -6.238 6.816 1.00 0.00 C ATOM 1127 C GLY A 78 -13.200 -7.708 6.590 1.00 0.00 C ATOM 1128 O GLY A 78 -12.051 -8.144 6.670 1.00 0.00 O ATOM 0 H GLY A 78 -11.978 -5.142 5.862 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -13.987 -6.112 7.776 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -14.176 -5.883 6.049 1.00 0.00 H new ATOM 1132 N LEU A 79 -14.246 -8.478 6.311 1.00 0.00 N ATOM 1133 CA LEU A 79 -14.101 -9.910 6.075 1.00 0.00 C ATOM 1134 C LEU A 79 -13.932 -10.203 4.587 1.00 0.00 C ATOM 1135 O LEU A 79 -13.448 -11.268 4.207 1.00 0.00 O ATOM 1136 CB LEU A 79 -15.317 -10.662 6.619 1.00 0.00 C ATOM 1137 CG LEU A 79 -16.678 -10.219 6.078 1.00 0.00 C ATOM 1138 CD1 LEU A 79 -17.039 -11.009 4.830 1.00 0.00 C ATOM 1139 CD2 LEU A 79 -17.753 -10.380 7.143 1.00 0.00 C ATOM 0 H LEU A 79 -15.204 -8.134 6.243 1.00 0.00 H new ATOM 0 HA LEU A 79 -13.207 -10.250 6.597 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -15.190 -11.723 6.402 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -15.328 -10.558 7.704 1.00 0.00 H new ATOM 0 HG LEU A 79 -16.615 -9.164 5.810 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -18.010 -10.680 4.459 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -16.283 -10.843 4.063 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -17.083 -12.071 5.072 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -18.714 -10.060 6.741 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -17.815 -11.426 7.442 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -17.501 -9.769 8.010 1.00 0.00 H new ATOM 1151 N GLU A 80 -14.333 -9.249 3.753 1.00 0.00 N ATOM 1152 CA GLU A 80 -14.223 -9.405 2.307 1.00 0.00 C ATOM 1153 C GLU A 80 -12.931 -10.127 1.934 1.00 0.00 C ATOM 1154 O GLU A 80 -11.865 -9.515 1.855 1.00 0.00 O ATOM 1155 CB GLU A 80 -14.275 -8.039 1.618 1.00 0.00 C ATOM 1156 CG GLU A 80 -15.687 -7.551 1.340 1.00 0.00 C ATOM 1157 CD GLU A 80 -15.776 -6.040 1.262 1.00 0.00 C ATOM 1158 OE1 GLU A 80 -15.278 -5.466 0.271 1.00 0.00 O ATOM 1159 OE2 GLU A 80 -16.346 -5.431 2.192 1.00 0.00 O ATOM 0 H GLU A 80 -14.736 -8.361 4.053 1.00 0.00 H new ATOM 0 HA GLU A 80 -15.066 -10.007 1.967 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -13.763 -7.307 2.242 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -13.727 -8.095 0.677 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -16.038 -7.981 0.402 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -16.353 -7.911 2.124 1.00 0.00 H new ATOM 1166 N THR A 81 -13.034 -11.432 1.705 1.00 0.00 N ATOM 1167 CA THR A 81 -11.875 -12.238 1.342 1.00 0.00 C ATOM 1168 C THR A 81 -11.820 -12.476 -0.162 1.00 0.00 C ATOM 1169 O THR A 81 -12.557 -13.304 -0.697 1.00 0.00 O ATOM 1170 CB THR A 81 -11.888 -13.598 2.066 1.00 0.00 C ATOM 1171 OG1 THR A 81 -13.162 -14.229 1.899 1.00 0.00 O ATOM 1172 CG2 THR A 81 -11.592 -13.426 3.547 1.00 0.00 C ATOM 0 H THR A 81 -13.908 -11.954 1.764 1.00 0.00 H new ATOM 0 HA THR A 81 -10.992 -11.679 1.651 1.00 0.00 H new ATOM 0 HB THR A 81 -11.112 -14.225 1.628 1.00 0.00 H new ATOM 0 HG1 THR A 81 -13.443 -14.156 0.963 1.00 0.00 H new ATOM 0 HG21 THR A 81 -11.607 -14.400 4.036 1.00 0.00 H new ATOM 0 HG22 THR A 81 -10.609 -12.972 3.671 1.00 0.00 H new ATOM 0 HG23 THR A 81 -12.348 -12.782 3.997 1.00 0.00 H new ATOM 1180 N PHE A 82 -10.941 -11.744 -0.840 1.00 0.00 N ATOM 1181 CA PHE A 82 -10.790 -11.877 -2.285 1.00 0.00 C ATOM 1182 C PHE A 82 -10.000 -13.133 -2.637 1.00 0.00 C ATOM 1183 O PHE A 82 -9.159 -13.588 -1.861 1.00 0.00 O ATOM 1184 CB PHE A 82 -10.091 -10.643 -2.860 1.00 0.00 C ATOM 1185 CG PHE A 82 -10.705 -9.345 -2.420 1.00 0.00 C ATOM 1186 CD1 PHE A 82 -10.391 -8.797 -1.187 1.00 0.00 C ATOM 1187 CD2 PHE A 82 -11.598 -8.673 -3.239 1.00 0.00 C ATOM 1188 CE1 PHE A 82 -10.955 -7.603 -0.778 1.00 0.00 C ATOM 1189 CE2 PHE A 82 -12.166 -7.479 -2.836 1.00 0.00 C ATOM 1190 CZ PHE A 82 -11.844 -6.943 -1.604 1.00 0.00 C ATOM 0 H PHE A 82 -10.323 -11.054 -0.413 1.00 0.00 H new ATOM 0 HA PHE A 82 -11.784 -11.961 -2.723 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -9.042 -10.658 -2.563 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -10.115 -10.696 -3.948 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -9.697 -9.309 -0.537 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -11.853 -9.087 -4.203 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -10.701 -7.187 0.186 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -12.861 -6.965 -3.484 1.00 0.00 H new ATOM 0 HZ PHE A 82 -12.286 -6.010 -1.287 1.00 0.00 H new ATOM 1200 N ASP A 83 -10.278 -13.690 -3.810 1.00 0.00 N ATOM 1201 CA ASP A 83 -9.595 -14.894 -4.266 1.00 0.00 C ATOM 1202 C ASP A 83 -8.082 -14.739 -4.144 1.00 0.00 C ATOM 1203 O ASP A 83 -7.392 -15.642 -3.671 1.00 0.00 O ATOM 1204 CB ASP A 83 -9.972 -15.203 -5.716 1.00 0.00 C ATOM 1205 CG ASP A 83 -9.984 -13.963 -6.588 1.00 0.00 C ATOM 1206 OD1 ASP A 83 -8.906 -13.577 -7.086 1.00 0.00 O ATOM 1207 OD2 ASP A 83 -11.073 -13.379 -6.773 1.00 0.00 O ATOM 0 H ASP A 83 -10.972 -13.326 -4.463 1.00 0.00 H new ATOM 0 HA ASP A 83 -9.911 -15.723 -3.632 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -9.266 -15.925 -6.126 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -10.956 -15.671 -5.741 1.00 0.00 H new ATOM 1212 N SER A 84 -7.573 -13.590 -4.575 1.00 0.00 N ATOM 1213 CA SER A 84 -6.141 -13.318 -4.519 1.00 0.00 C ATOM 1214 C SER A 84 -5.874 -11.817 -4.472 1.00 0.00 C ATOM 1215 O SER A 84 -6.783 -11.006 -4.662 1.00 0.00 O ATOM 1216 CB SER A 84 -5.436 -13.937 -5.727 1.00 0.00 C ATOM 1217 OG SER A 84 -4.093 -14.270 -5.418 1.00 0.00 O ATOM 0 H SER A 84 -8.131 -12.832 -4.967 1.00 0.00 H new ATOM 0 HA SER A 84 -5.746 -13.767 -3.608 1.00 0.00 H new ATOM 0 HB2 SER A 84 -5.972 -14.831 -6.046 1.00 0.00 H new ATOM 0 HB3 SER A 84 -5.458 -13.237 -6.563 1.00 0.00 H new ATOM 0 HG SER A 84 -3.664 -14.665 -6.206 1.00 0.00 H new ATOM 1223 N LEU A 85 -4.622 -11.452 -4.221 1.00 0.00 N ATOM 1224 CA LEU A 85 -4.234 -10.048 -4.150 1.00 0.00 C ATOM 1225 C LEU A 85 -4.616 -9.312 -5.429 1.00 0.00 C ATOM 1226 O LEU A 85 -5.103 -8.182 -5.387 1.00 0.00 O ATOM 1227 CB LEU A 85 -2.728 -9.928 -3.908 1.00 0.00 C ATOM 1228 CG LEU A 85 -2.285 -9.873 -2.446 1.00 0.00 C ATOM 1229 CD1 LEU A 85 -0.769 -9.960 -2.343 1.00 0.00 C ATOM 1230 CD2 LEU A 85 -2.793 -8.602 -1.781 1.00 0.00 C ATOM 0 H LEU A 85 -3.858 -12.109 -4.063 1.00 0.00 H new ATOM 0 HA LEU A 85 -4.768 -9.590 -3.317 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.235 -10.776 -4.384 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -2.370 -9.028 -4.409 1.00 0.00 H new ATOM 0 HG LEU A 85 -2.714 -10.729 -1.925 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.473 -9.919 -1.295 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.428 -10.898 -2.780 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.319 -9.125 -2.880 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.468 -8.581 -0.741 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.394 -7.733 -2.304 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -3.882 -8.581 -1.821 1.00 0.00 H new ATOM 1242 N THR A 86 -4.393 -9.960 -6.568 1.00 0.00 N ATOM 1243 CA THR A 86 -4.715 -9.368 -7.860 1.00 0.00 C ATOM 1244 C THR A 86 -6.175 -8.934 -7.918 1.00 0.00 C ATOM 1245 O THR A 86 -6.517 -7.967 -8.597 1.00 0.00 O ATOM 1246 CB THR A 86 -4.438 -10.352 -9.014 1.00 0.00 C ATOM 1247 OG1 THR A 86 -3.088 -10.822 -8.943 1.00 0.00 O ATOM 1248 CG2 THR A 86 -4.680 -9.689 -10.361 1.00 0.00 C ATOM 0 H THR A 86 -3.990 -10.896 -6.622 1.00 0.00 H new ATOM 0 HA THR A 86 -4.074 -8.494 -7.975 1.00 0.00 H new ATOM 0 HB THR A 86 -5.121 -11.195 -8.915 1.00 0.00 H new ATOM 0 HG1 THR A 86 -2.920 -11.448 -9.678 1.00 0.00 H new ATOM 0 HG21 THR A 86 -4.478 -10.403 -11.159 1.00 0.00 H new ATOM 0 HG22 THR A 86 -5.717 -9.359 -10.423 1.00 0.00 H new ATOM 0 HG23 THR A 86 -4.019 -8.829 -10.467 1.00 0.00 H new ATOM 1256 N ASP A 87 -7.030 -9.654 -7.200 1.00 0.00 N ATOM 1257 CA ASP A 87 -8.454 -9.341 -7.169 1.00 0.00 C ATOM 1258 C ASP A 87 -8.753 -8.278 -6.115 1.00 0.00 C ATOM 1259 O ASP A 87 -9.439 -7.293 -6.390 1.00 0.00 O ATOM 1260 CB ASP A 87 -9.269 -10.603 -6.883 1.00 0.00 C ATOM 1261 CG ASP A 87 -9.658 -11.340 -8.150 1.00 0.00 C ATOM 1262 OD1 ASP A 87 -8.750 -11.710 -8.923 1.00 0.00 O ATOM 1263 OD2 ASP A 87 -10.871 -11.545 -8.368 1.00 0.00 O ATOM 0 H ASP A 87 -6.762 -10.458 -6.632 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.737 -8.949 -8.146 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -8.690 -11.268 -6.242 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -10.170 -10.333 -6.332 1.00 0.00 H new ATOM 1268 N LEU A 88 -8.236 -8.486 -4.910 1.00 0.00 N ATOM 1269 CA LEU A 88 -8.448 -7.545 -3.814 1.00 0.00 C ATOM 1270 C LEU A 88 -7.960 -6.150 -4.192 1.00 0.00 C ATOM 1271 O LEU A 88 -8.588 -5.148 -3.849 1.00 0.00 O ATOM 1272 CB LEU A 88 -7.725 -8.027 -2.556 1.00 0.00 C ATOM 1273 CG LEU A 88 -7.593 -7.007 -1.424 1.00 0.00 C ATOM 1274 CD1 LEU A 88 -7.605 -7.704 -0.073 1.00 0.00 C ATOM 1275 CD2 LEU A 88 -6.324 -6.185 -1.593 1.00 0.00 C ATOM 0 H LEU A 88 -7.667 -9.297 -4.666 1.00 0.00 H new ATOM 0 HA LEU A 88 -9.518 -7.493 -3.614 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -8.251 -8.901 -2.171 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -6.725 -8.356 -2.840 1.00 0.00 H new ATOM 0 HG LEU A 88 -8.447 -6.331 -1.467 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.510 -6.962 0.720 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -8.542 -8.247 0.048 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -6.771 -8.404 -0.017 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.246 -5.464 -0.779 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.457 -6.846 -1.577 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.358 -5.655 -2.545 1.00 0.00 H new ATOM 1287 N VAL A 89 -6.838 -6.093 -4.902 1.00 0.00 N ATOM 1288 CA VAL A 89 -6.268 -4.821 -5.329 1.00 0.00 C ATOM 1289 C VAL A 89 -7.028 -4.250 -6.521 1.00 0.00 C ATOM 1290 O VAL A 89 -7.374 -3.069 -6.542 1.00 0.00 O ATOM 1291 CB VAL A 89 -4.782 -4.970 -5.705 1.00 0.00 C ATOM 1292 CG1 VAL A 89 -4.203 -3.631 -6.138 1.00 0.00 C ATOM 1293 CG2 VAL A 89 -3.993 -5.551 -4.542 1.00 0.00 C ATOM 0 H VAL A 89 -6.306 -6.913 -5.194 1.00 0.00 H new ATOM 0 HA VAL A 89 -6.355 -4.136 -4.485 1.00 0.00 H new ATOM 0 HB VAL A 89 -4.706 -5.660 -6.545 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.152 -3.756 -6.400 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -4.751 -3.261 -7.004 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -4.290 -2.915 -5.320 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.945 -5.649 -4.826 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -4.075 -4.889 -3.680 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.393 -6.532 -4.285 1.00 0.00 H new ATOM 1303 N GLU A 90 -7.285 -5.098 -7.513 1.00 0.00 N ATOM 1304 CA GLU A 90 -8.005 -4.678 -8.709 1.00 0.00 C ATOM 1305 C GLU A 90 -9.361 -4.078 -8.346 1.00 0.00 C ATOM 1306 O GLU A 90 -9.848 -3.165 -9.014 1.00 0.00 O ATOM 1307 CB GLU A 90 -8.196 -5.862 -9.659 1.00 0.00 C ATOM 1308 CG GLU A 90 -7.036 -6.066 -10.618 1.00 0.00 C ATOM 1309 CD GLU A 90 -6.742 -4.833 -11.450 1.00 0.00 C ATOM 1310 OE1 GLU A 90 -7.703 -4.130 -11.827 1.00 0.00 O ATOM 1311 OE2 GLU A 90 -5.553 -4.572 -11.725 1.00 0.00 O ATOM 0 H GLU A 90 -7.005 -6.079 -7.511 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.411 -3.913 -9.209 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -8.335 -6.770 -9.072 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -9.110 -5.712 -10.234 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -6.145 -6.338 -10.052 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -7.260 -6.902 -11.281 1.00 0.00 H new ATOM 1318 N HIS A 91 -9.966 -4.600 -7.284 1.00 0.00 N ATOM 1319 CA HIS A 91 -11.267 -4.117 -6.831 1.00 0.00 C ATOM 1320 C HIS A 91 -11.184 -2.655 -6.404 1.00 0.00 C ATOM 1321 O HIS A 91 -12.089 -1.866 -6.676 1.00 0.00 O ATOM 1322 CB HIS A 91 -11.775 -4.971 -5.670 1.00 0.00 C ATOM 1323 CG HIS A 91 -13.260 -4.909 -5.485 1.00 0.00 C ATOM 1324 ND1 HIS A 91 -14.129 -5.807 -6.068 1.00 0.00 N ATOM 1325 CD2 HIS A 91 -14.029 -4.048 -4.777 1.00 0.00 C ATOM 1326 CE1 HIS A 91 -15.368 -5.500 -5.727 1.00 0.00 C ATOM 1327 NE2 HIS A 91 -15.334 -4.438 -4.943 1.00 0.00 N ATOM 0 H HIS A 91 -9.577 -5.357 -6.721 1.00 0.00 H new ATOM 0 HA HIS A 91 -11.967 -4.195 -7.663 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -11.481 -6.007 -5.836 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -11.289 -4.645 -4.750 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -13.680 -3.211 -4.191 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -16.258 -6.028 -6.037 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -16.146 -3.982 -4.528 1.00 0.00 H new ATOM 1336 N PHE A 92 -10.094 -2.299 -5.734 1.00 0.00 N ATOM 1337 CA PHE A 92 -9.894 -0.932 -5.267 1.00 0.00 C ATOM 1338 C PHE A 92 -9.330 -0.055 -6.381 1.00 0.00 C ATOM 1339 O PHE A 92 -9.498 1.165 -6.372 1.00 0.00 O ATOM 1340 CB PHE A 92 -8.952 -0.914 -4.062 1.00 0.00 C ATOM 1341 CG PHE A 92 -9.498 -1.636 -2.864 1.00 0.00 C ATOM 1342 CD1 PHE A 92 -10.702 -1.253 -2.295 1.00 0.00 C ATOM 1343 CD2 PHE A 92 -8.806 -2.699 -2.304 1.00 0.00 C ATOM 1344 CE1 PHE A 92 -11.207 -1.915 -1.193 1.00 0.00 C ATOM 1345 CE2 PHE A 92 -9.307 -3.366 -1.202 1.00 0.00 C ATOM 1346 CZ PHE A 92 -10.508 -2.973 -0.645 1.00 0.00 C ATOM 0 H PHE A 92 -9.334 -2.939 -5.502 1.00 0.00 H new ATOM 0 HA PHE A 92 -10.862 -0.531 -4.967 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -8.002 -1.366 -4.347 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -8.744 0.121 -3.789 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -11.253 -0.426 -2.719 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -7.865 -3.009 -2.734 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -12.147 -1.606 -0.760 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -8.760 -4.194 -0.777 1.00 0.00 H new ATOM 0 HZ PHE A 92 -10.900 -3.492 0.217 1.00 0.00 H new ATOM 1356 N LYS A 93 -8.659 -0.684 -7.340 1.00 0.00 N ATOM 1357 CA LYS A 93 -8.071 0.037 -8.462 1.00 0.00 C ATOM 1358 C LYS A 93 -9.147 0.738 -9.285 1.00 0.00 C ATOM 1359 O LYS A 93 -8.894 1.767 -9.911 1.00 0.00 O ATOM 1360 CB LYS A 93 -7.278 -0.924 -9.352 1.00 0.00 C ATOM 1361 CG LYS A 93 -5.929 -1.315 -8.776 1.00 0.00 C ATOM 1362 CD LYS A 93 -5.207 -2.309 -9.669 1.00 0.00 C ATOM 1363 CE LYS A 93 -4.393 -1.604 -10.744 1.00 0.00 C ATOM 1364 NZ LYS A 93 -5.196 -1.350 -11.971 1.00 0.00 N ATOM 0 H LYS A 93 -8.509 -1.693 -7.362 1.00 0.00 H new ATOM 0 HA LYS A 93 -7.396 0.794 -8.061 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -7.869 -1.825 -9.515 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -7.127 -0.461 -10.327 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -5.314 -0.424 -8.651 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -6.067 -1.748 -7.786 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -4.549 -2.933 -9.064 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -5.933 -2.973 -10.138 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -4.018 -0.658 -10.353 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -3.524 -2.211 -10.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -4.600 -1.493 -12.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -6.001 -2.008 -12.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -5.548 -0.372 -11.959 1.00 0.00 H new ATOM 1378 N LYS A 94 -10.350 0.175 -9.277 1.00 0.00 N ATOM 1379 CA LYS A 94 -11.468 0.747 -10.020 1.00 0.00 C ATOM 1380 C LYS A 94 -12.399 1.519 -9.091 1.00 0.00 C ATOM 1381 O LYS A 94 -12.905 2.584 -9.447 1.00 0.00 O ATOM 1382 CB LYS A 94 -12.247 -0.357 -10.738 1.00 0.00 C ATOM 1383 CG LYS A 94 -12.534 -1.566 -9.865 1.00 0.00 C ATOM 1384 CD LYS A 94 -13.697 -2.381 -10.407 1.00 0.00 C ATOM 1385 CE LYS A 94 -13.237 -3.380 -11.458 1.00 0.00 C ATOM 1386 NZ LYS A 94 -14.239 -4.461 -11.671 1.00 0.00 N ATOM 0 H LYS A 94 -10.577 -0.677 -8.764 1.00 0.00 H new ATOM 0 HA LYS A 94 -11.065 1.439 -10.760 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -13.191 0.052 -11.099 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -11.683 -0.678 -11.614 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -11.645 -2.193 -9.807 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -12.760 -1.238 -8.850 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -14.184 -2.911 -9.588 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -14.441 -1.712 -10.840 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -13.058 -2.860 -12.399 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -12.288 -3.820 -11.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -13.889 -5.121 -12.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -14.392 -4.973 -10.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -15.137 -4.044 -11.989 1.00 0.00 H new ATOM 1400 N THR A 95 -12.622 0.977 -7.897 1.00 0.00 N ATOM 1401 CA THR A 95 -13.492 1.616 -6.918 1.00 0.00 C ATOM 1402 C THR A 95 -12.707 2.567 -6.022 1.00 0.00 C ATOM 1403 O THR A 95 -13.098 3.716 -5.825 1.00 0.00 O ATOM 1404 CB THR A 95 -14.208 0.573 -6.039 1.00 0.00 C ATOM 1405 OG1 THR A 95 -13.247 -0.192 -5.304 1.00 0.00 O ATOM 1406 CG2 THR A 95 -15.062 -0.356 -6.888 1.00 0.00 C ATOM 0 H THR A 95 -12.212 0.097 -7.585 1.00 0.00 H new ATOM 0 HA THR A 95 -14.237 2.182 -7.478 1.00 0.00 H new ATOM 0 HB THR A 95 -14.858 1.103 -5.343 1.00 0.00 H new ATOM 0 HG1 THR A 95 -13.174 -1.088 -5.695 1.00 0.00 H new ATOM 0 HG21 THR A 95 -15.558 -1.084 -6.245 1.00 0.00 H new ATOM 0 HG22 THR A 95 -15.812 0.227 -7.422 1.00 0.00 H new ATOM 0 HG23 THR A 95 -14.429 -0.878 -7.606 1.00 0.00 H new ATOM 1414 N GLY A 96 -11.594 2.079 -5.481 1.00 0.00 N ATOM 1415 CA GLY A 96 -10.770 2.899 -4.612 1.00 0.00 C ATOM 1416 C GLY A 96 -10.971 2.572 -3.146 1.00 0.00 C ATOM 1417 O GLY A 96 -12.078 2.242 -2.722 1.00 0.00 O ATOM 0 H GLY A 96 -11.249 1.131 -5.629 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -9.721 2.758 -4.872 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -11.002 3.950 -4.782 1.00 0.00 H new ATOM 1421 N ILE A 97 -9.896 2.663 -2.369 1.00 0.00 N ATOM 1422 CA ILE A 97 -9.959 2.374 -0.942 1.00 0.00 C ATOM 1423 C ILE A 97 -10.447 3.586 -0.156 1.00 0.00 C ATOM 1424 O ILE A 97 -10.469 4.703 -0.671 1.00 0.00 O ATOM 1425 CB ILE A 97 -8.586 1.940 -0.394 1.00 0.00 C ATOM 1426 CG1 ILE A 97 -8.024 0.783 -1.222 1.00 0.00 C ATOM 1427 CG2 ILE A 97 -8.701 1.545 1.070 1.00 0.00 C ATOM 1428 CD1 ILE A 97 -6.729 0.224 -0.678 1.00 0.00 C ATOM 0 H ILE A 97 -8.972 2.935 -2.704 1.00 0.00 H new ATOM 0 HA ILE A 97 -10.667 1.554 -0.818 1.00 0.00 H new ATOM 0 HB ILE A 97 -7.898 2.782 -0.469 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -8.765 -0.015 -1.266 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -7.862 1.124 -2.245 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -7.723 1.241 1.443 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -9.062 2.395 1.649 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -9.401 0.715 1.169 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -6.389 -0.593 -1.315 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -5.973 1.009 -0.660 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -6.890 -0.148 0.334 1.00 0.00 H new ATOM 1440 N GLU A 98 -10.838 3.356 1.094 1.00 0.00 N ATOM 1441 CA GLU A 98 -11.326 4.431 1.951 1.00 0.00 C ATOM 1442 C GLU A 98 -10.953 4.175 3.409 1.00 0.00 C ATOM 1443 O GLU A 98 -11.481 3.263 4.043 1.00 0.00 O ATOM 1444 CB GLU A 98 -12.843 4.571 1.818 1.00 0.00 C ATOM 1445 CG GLU A 98 -13.373 5.917 2.281 1.00 0.00 C ATOM 1446 CD GLU A 98 -14.840 5.865 2.665 1.00 0.00 C ATOM 1447 OE1 GLU A 98 -15.233 4.924 3.385 1.00 0.00 O ATOM 1448 OE2 GLU A 98 -15.594 6.767 2.244 1.00 0.00 O ATOM 0 H GLU A 98 -10.826 2.436 1.535 1.00 0.00 H new ATOM 0 HA GLU A 98 -10.854 5.360 1.630 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -13.123 4.419 0.776 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -13.324 3.782 2.396 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -12.789 6.259 3.136 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -13.235 6.651 1.487 1.00 0.00 H new ATOM 1455 N GLU A 99 -10.040 4.987 3.931 1.00 0.00 N ATOM 1456 CA GLU A 99 -9.596 4.849 5.313 1.00 0.00 C ATOM 1457 C GLU A 99 -10.720 5.202 6.283 1.00 0.00 C ATOM 1458 O GLU A 99 -11.483 6.140 6.052 1.00 0.00 O ATOM 1459 CB GLU A 99 -8.382 5.743 5.574 1.00 0.00 C ATOM 1460 CG GLU A 99 -7.079 5.171 5.041 1.00 0.00 C ATOM 1461 CD GLU A 99 -5.986 6.216 4.928 1.00 0.00 C ATOM 1462 OE1 GLU A 99 -5.338 6.509 5.955 1.00 0.00 O ATOM 1463 OE2 GLU A 99 -5.779 6.742 3.814 1.00 0.00 O ATOM 0 H GLU A 99 -9.593 5.747 3.418 1.00 0.00 H new ATOM 0 HA GLU A 99 -9.313 3.809 5.475 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -8.555 6.718 5.118 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -8.285 5.906 6.647 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -6.743 4.369 5.698 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -7.255 4.728 4.061 1.00 0.00 H new ATOM 1470 N ALA A 100 -10.815 4.443 7.370 1.00 0.00 N ATOM 1471 CA ALA A 100 -11.843 4.674 8.376 1.00 0.00 C ATOM 1472 C ALA A 100 -11.964 6.159 8.705 1.00 0.00 C ATOM 1473 O ALA A 100 -13.067 6.678 8.882 1.00 0.00 O ATOM 1474 CB ALA A 100 -11.540 3.876 9.635 1.00 0.00 C ATOM 0 H ALA A 100 -10.192 3.662 7.576 1.00 0.00 H new ATOM 0 HA ALA A 100 -12.797 4.339 7.968 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -12.317 4.059 10.377 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -11.511 2.813 9.394 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -10.574 4.183 10.037 1.00 0.00 H new ATOM 1480 N SER A 101 -10.824 6.837 8.786 1.00 0.00 N ATOM 1481 CA SER A 101 -10.801 8.261 9.099 1.00 0.00 C ATOM 1482 C SER A 101 -11.736 9.035 8.173 1.00 0.00 C ATOM 1483 O SER A 101 -12.385 9.994 8.588 1.00 0.00 O ATOM 1484 CB SER A 101 -9.378 8.809 8.979 1.00 0.00 C ATOM 1485 OG SER A 101 -9.202 9.954 9.796 1.00 0.00 O ATOM 0 H SER A 101 -9.903 6.423 8.639 1.00 0.00 H new ATOM 0 HA SER A 101 -11.146 8.388 10.125 1.00 0.00 H new ATOM 0 HB2 SER A 101 -8.663 8.039 9.268 1.00 0.00 H new ATOM 0 HB3 SER A 101 -9.170 9.064 7.940 1.00 0.00 H new ATOM 0 HG SER A 101 -8.284 10.284 9.703 1.00 0.00 H new ATOM 1491 N GLY A 102 -11.797 8.611 6.914 1.00 0.00 N ATOM 1492 CA GLY A 102 -12.654 9.273 5.949 1.00 0.00 C ATOM 1493 C GLY A 102 -11.918 9.637 4.674 1.00 0.00 C ATOM 1494 O GLY A 102 -12.460 10.326 3.811 1.00 0.00 O ATOM 0 H GLY A 102 -11.268 7.821 6.546 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -13.494 8.622 5.707 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -13.069 10.176 6.396 1.00 0.00 H new ATOM 1498 N ALA A 103 -10.677 9.174 4.556 1.00 0.00 N ATOM 1499 CA ALA A 103 -9.866 9.454 3.378 1.00 0.00 C ATOM 1500 C ALA A 103 -10.094 8.407 2.294 1.00 0.00 C ATOM 1501 O ALA A 103 -10.647 7.339 2.554 1.00 0.00 O ATOM 1502 CB ALA A 103 -8.394 9.516 3.755 1.00 0.00 C ATOM 0 H ALA A 103 -10.212 8.603 5.262 1.00 0.00 H new ATOM 0 HA ALA A 103 -10.168 10.422 2.979 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -7.799 9.726 2.866 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -8.240 10.306 4.490 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -8.087 8.560 4.180 1.00 0.00 H new ATOM 1508 N PHE A 104 -9.665 8.721 1.075 1.00 0.00 N ATOM 1509 CA PHE A 104 -9.824 7.808 -0.051 1.00 0.00 C ATOM 1510 C PHE A 104 -8.493 7.589 -0.765 1.00 0.00 C ATOM 1511 O PHE A 104 -7.834 8.543 -1.179 1.00 0.00 O ATOM 1512 CB PHE A 104 -10.861 8.353 -1.034 1.00 0.00 C ATOM 1513 CG PHE A 104 -12.263 7.906 -0.736 1.00 0.00 C ATOM 1514 CD1 PHE A 104 -12.718 6.671 -1.173 1.00 0.00 C ATOM 1515 CD2 PHE A 104 -13.126 8.718 -0.018 1.00 0.00 C ATOM 1516 CE1 PHE A 104 -14.009 6.258 -0.900 1.00 0.00 C ATOM 1517 CE2 PHE A 104 -14.417 8.309 0.257 1.00 0.00 C ATOM 1518 CZ PHE A 104 -14.859 7.077 -0.183 1.00 0.00 C ATOM 0 H PHE A 104 -9.205 9.601 0.842 1.00 0.00 H new ATOM 0 HA PHE A 104 -10.170 6.850 0.336 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -10.825 9.442 -1.021 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -10.594 8.038 -2.043 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -12.057 6.025 -1.732 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -12.786 9.682 0.331 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -14.353 5.295 -1.247 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -15.080 8.953 0.816 1.00 0.00 H new ATOM 0 HZ PHE A 104 -15.867 6.755 0.033 1.00 0.00 H new ATOM 1528 N VAL A 105 -8.105 6.326 -0.906 1.00 0.00 N ATOM 1529 CA VAL A 105 -6.854 5.981 -1.571 1.00 0.00 C ATOM 1530 C VAL A 105 -7.114 5.276 -2.898 1.00 0.00 C ATOM 1531 O VAL A 105 -7.666 4.177 -2.931 1.00 0.00 O ATOM 1532 CB VAL A 105 -5.979 5.075 -0.685 1.00 0.00 C ATOM 1533 CG1 VAL A 105 -4.571 4.972 -1.251 1.00 0.00 C ATOM 1534 CG2 VAL A 105 -5.950 5.596 0.744 1.00 0.00 C ATOM 0 H VAL A 105 -8.639 5.525 -0.569 1.00 0.00 H new ATOM 0 HA VAL A 105 -6.325 6.916 -1.756 1.00 0.00 H new ATOM 0 HB VAL A 105 -6.415 4.076 -0.676 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -3.968 4.328 -0.611 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.612 4.550 -2.255 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -4.122 5.964 -1.293 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -5.327 4.944 1.356 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -5.539 6.605 0.755 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -6.963 5.612 1.146 1.00 0.00 H new ATOM 1544 N TYR A 106 -6.710 5.917 -3.989 1.00 0.00 N ATOM 1545 CA TYR A 106 -6.900 5.353 -5.321 1.00 0.00 C ATOM 1546 C TYR A 106 -5.603 4.745 -5.845 1.00 0.00 C ATOM 1547 O TYR A 106 -4.535 5.348 -5.741 1.00 0.00 O ATOM 1548 CB TYR A 106 -7.400 6.428 -6.286 1.00 0.00 C ATOM 1549 CG TYR A 106 -8.421 7.363 -5.677 1.00 0.00 C ATOM 1550 CD1 TYR A 106 -9.578 6.869 -5.087 1.00 0.00 C ATOM 1551 CD2 TYR A 106 -8.230 8.738 -5.692 1.00 0.00 C ATOM 1552 CE1 TYR A 106 -10.514 7.717 -4.530 1.00 0.00 C ATOM 1553 CE2 TYR A 106 -9.160 9.595 -5.137 1.00 0.00 C ATOM 1554 CZ TYR A 106 -10.301 9.080 -4.557 1.00 0.00 C ATOM 1555 OH TYR A 106 -11.231 9.929 -4.002 1.00 0.00 O ATOM 0 H TYR A 106 -6.249 6.827 -3.978 1.00 0.00 H new ATOM 0 HA TYR A 106 -7.647 4.563 -5.250 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -6.550 7.012 -6.638 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -7.838 5.945 -7.159 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -9.748 5.803 -5.064 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -7.338 9.145 -6.146 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -11.408 7.316 -4.076 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -8.995 10.662 -5.157 1.00 0.00 H new ATOM 0 HH TYR A 106 -10.929 10.856 -4.103 1.00 0.00 H new ATOM 1565 N LEU A 107 -5.706 3.546 -6.410 1.00 0.00 N ATOM 1566 CA LEU A 107 -4.542 2.855 -6.953 1.00 0.00 C ATOM 1567 C LEU A 107 -4.649 2.715 -8.468 1.00 0.00 C ATOM 1568 O LEU A 107 -5.532 2.025 -8.976 1.00 0.00 O ATOM 1569 CB LEU A 107 -4.399 1.475 -6.311 1.00 0.00 C ATOM 1570 CG LEU A 107 -4.795 1.376 -4.837 1.00 0.00 C ATOM 1571 CD1 LEU A 107 -6.271 1.034 -4.703 1.00 0.00 C ATOM 1572 CD2 LEU A 107 -3.938 0.340 -4.123 1.00 0.00 C ATOM 0 H LEU A 107 -6.583 3.033 -6.504 1.00 0.00 H new ATOM 0 HA LEU A 107 -3.658 3.449 -6.723 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -5.005 0.768 -6.878 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -3.361 1.156 -6.410 1.00 0.00 H new ATOM 0 HG LEU A 107 -4.624 2.345 -4.368 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -6.535 0.968 -3.647 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -6.869 1.811 -5.178 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -6.468 0.077 -5.187 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -4.234 0.283 -3.075 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -4.077 -0.634 -4.593 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -2.889 0.628 -4.189 1.00 0.00 H new ATOM 1584 N ARG A 108 -3.743 3.373 -9.184 1.00 0.00 N ATOM 1585 CA ARG A 108 -3.735 3.320 -10.641 1.00 0.00 C ATOM 1586 C ARG A 108 -2.353 2.942 -11.164 1.00 0.00 C ATOM 1587 O ARG A 108 -2.229 2.272 -12.189 1.00 0.00 O ATOM 1588 CB ARG A 108 -4.161 4.669 -11.223 1.00 0.00 C ATOM 1589 CG ARG A 108 -5.318 5.316 -10.479 1.00 0.00 C ATOM 1590 CD ARG A 108 -5.601 6.716 -11.000 1.00 0.00 C ATOM 1591 NE ARG A 108 -5.916 6.716 -12.426 1.00 0.00 N ATOM 1592 CZ ARG A 108 -6.402 7.770 -13.072 1.00 0.00 C ATOM 1593 NH1 ARG A 108 -6.627 8.904 -12.422 1.00 0.00 N ATOM 1594 NH2 ARG A 108 -6.663 7.692 -14.371 1.00 0.00 N ATOM 0 H ARG A 108 -3.005 3.949 -8.779 1.00 0.00 H new ATOM 0 HA ARG A 108 -4.445 2.555 -10.956 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -3.307 5.347 -11.210 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -4.443 4.532 -12.267 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -6.211 4.700 -10.585 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -5.087 5.362 -9.415 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -6.434 7.148 -10.445 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -4.734 7.352 -10.820 1.00 0.00 H new ATOM 0 HE ARG A 108 -5.754 5.859 -12.955 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -6.427 8.968 -11.424 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -7.000 9.712 -12.920 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -6.490 6.822 -14.875 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -7.036 8.502 -14.866 1.00 0.00 H new ATOM 1608 N GLN A 109 -1.317 3.374 -10.451 1.00 0.00 N ATOM 1609 CA GLN A 109 0.056 3.082 -10.845 1.00 0.00 C ATOM 1610 C GLN A 109 0.627 1.935 -10.017 1.00 0.00 C ATOM 1611 O GLN A 109 1.076 2.119 -8.885 1.00 0.00 O ATOM 1612 CB GLN A 109 0.930 4.326 -10.687 1.00 0.00 C ATOM 1613 CG GLN A 109 0.994 5.188 -11.938 1.00 0.00 C ATOM 1614 CD GLN A 109 1.186 6.659 -11.625 1.00 0.00 C ATOM 1615 OE1 GLN A 109 2.057 7.317 -12.193 1.00 0.00 O ATOM 1616 NE2 GLN A 109 0.369 7.182 -10.717 1.00 0.00 N ATOM 0 H GLN A 109 -1.403 3.927 -9.598 1.00 0.00 H new ATOM 0 HA GLN A 109 0.051 2.782 -11.893 1.00 0.00 H new ATOM 0 HB2 GLN A 109 0.547 4.926 -9.862 1.00 0.00 H new ATOM 0 HB3 GLN A 109 1.940 4.018 -10.416 1.00 0.00 H new ATOM 0 HG2 GLN A 109 1.814 4.845 -12.569 1.00 0.00 H new ATOM 0 HG3 GLN A 109 0.075 5.059 -12.510 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -0.339 6.598 -10.271 1.00 0.00 H new ATOM 0 HE22 GLN A 109 0.450 8.167 -10.466 1.00 0.00 H new ATOM 1625 N PRO A 110 0.611 0.724 -10.591 1.00 0.00 N ATOM 1626 CA PRO A 110 1.124 -0.476 -9.924 1.00 0.00 C ATOM 1627 C PRO A 110 2.642 -0.455 -9.781 1.00 0.00 C ATOM 1628 O PRO A 110 3.365 -0.906 -10.670 1.00 0.00 O ATOM 1629 CB PRO A 110 0.690 -1.613 -10.851 1.00 0.00 C ATOM 1630 CG PRO A 110 0.555 -0.976 -12.192 1.00 0.00 C ATOM 1631 CD PRO A 110 0.092 0.431 -11.937 1.00 0.00 C ATOM 0 HA PRO A 110 0.744 -0.570 -8.907 1.00 0.00 H new ATOM 0 HB2 PRO A 110 1.428 -2.415 -10.866 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -0.252 -2.053 -10.524 1.00 0.00 H new ATOM 0 HG2 PRO A 110 1.506 -0.983 -12.725 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -0.161 -1.517 -12.811 1.00 0.00 H new ATOM 0 HD2 PRO A 110 0.487 1.124 -12.679 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -0.995 0.509 -11.974 1.00 0.00 H new ATOM 1639 N TYR A 111 3.119 0.068 -8.657 1.00 0.00 N ATOM 1640 CA TYR A 111 4.552 0.149 -8.400 1.00 0.00 C ATOM 1641 C TYR A 111 5.237 -1.178 -8.713 1.00 0.00 C ATOM 1642 O TYR A 111 4.992 -2.188 -8.053 1.00 0.00 O ATOM 1643 CB TYR A 111 4.808 0.536 -6.942 1.00 0.00 C ATOM 1644 CG TYR A 111 6.151 1.194 -6.718 1.00 0.00 C ATOM 1645 CD1 TYR A 111 6.529 2.312 -7.450 1.00 0.00 C ATOM 1646 CD2 TYR A 111 7.041 0.697 -5.774 1.00 0.00 C ATOM 1647 CE1 TYR A 111 7.756 2.917 -7.249 1.00 0.00 C ATOM 1648 CE2 TYR A 111 8.269 1.297 -5.565 1.00 0.00 C ATOM 1649 CZ TYR A 111 8.621 2.405 -6.305 1.00 0.00 C ATOM 1650 OH TYR A 111 9.844 3.004 -6.101 1.00 0.00 O ATOM 0 H TYR A 111 2.535 0.442 -7.909 1.00 0.00 H new ATOM 0 HA TYR A 111 4.970 0.916 -9.052 1.00 0.00 H new ATOM 0 HB2 TYR A 111 4.021 1.214 -6.611 1.00 0.00 H new ATOM 0 HB3 TYR A 111 4.742 -0.357 -6.321 1.00 0.00 H new ATOM 0 HD1 TYR A 111 5.853 2.716 -8.189 1.00 0.00 H new ATOM 0 HD2 TYR A 111 6.769 -0.172 -5.194 1.00 0.00 H new ATOM 0 HE1 TYR A 111 8.035 3.785 -7.828 1.00 0.00 H new ATOM 0 HE2 TYR A 111 8.949 0.899 -4.826 1.00 0.00 H new ATOM 0 HH TYR A 111 9.776 3.962 -6.296 1.00 0.00 H new ATOM 1660 N TYR A 112 6.099 -1.167 -9.724 1.00 0.00 N ATOM 1661 CA TYR A 112 6.819 -2.368 -10.128 1.00 0.00 C ATOM 1662 C TYR A 112 8.073 -2.563 -9.280 1.00 0.00 C ATOM 1663 O TYR A 112 8.455 -1.684 -8.506 1.00 0.00 O ATOM 1664 CB TYR A 112 7.198 -2.288 -11.607 1.00 0.00 C ATOM 1665 CG TYR A 112 6.026 -2.002 -12.518 1.00 0.00 C ATOM 1666 CD1 TYR A 112 5.158 -3.016 -12.905 1.00 0.00 C ATOM 1667 CD2 TYR A 112 5.786 -0.719 -12.992 1.00 0.00 C ATOM 1668 CE1 TYR A 112 4.086 -2.759 -13.737 1.00 0.00 C ATOM 1669 CE2 TYR A 112 4.716 -0.452 -13.824 1.00 0.00 C ATOM 1670 CZ TYR A 112 3.869 -1.476 -14.194 1.00 0.00 C ATOM 1671 OH TYR A 112 2.802 -1.215 -15.023 1.00 0.00 O ATOM 0 H TYR A 112 6.316 -0.339 -10.279 1.00 0.00 H new ATOM 0 HA TYR A 112 6.161 -3.224 -9.974 1.00 0.00 H new ATOM 0 HB2 TYR A 112 7.949 -1.509 -11.739 1.00 0.00 H new ATOM 0 HB3 TYR A 112 7.659 -3.229 -11.907 1.00 0.00 H new ATOM 0 HD1 TYR A 112 5.325 -4.022 -12.549 1.00 0.00 H new ATOM 0 HD2 TYR A 112 6.448 0.085 -12.705 1.00 0.00 H new ATOM 0 HE1 TYR A 112 3.421 -3.559 -14.028 1.00 0.00 H new ATOM 0 HE2 TYR A 112 4.544 0.552 -14.182 1.00 0.00 H new ATOM 0 HH TYR A 112 2.791 -0.262 -15.253 1.00 0.00 H new ATOM 1871 N ALA B 9 -3.008 2.291 8.502 1.00 0.00 N ATOM 1872 CA ALA B 9 -4.281 2.999 8.474 1.00 0.00 C ATOM 1873 C ALA B 9 -5.451 2.023 8.445 1.00 0.00 C ATOM 1874 O ALA B 9 -5.564 1.202 7.535 1.00 0.00 O ATOM 1875 CB ALA B 9 -4.340 3.932 7.273 1.00 0.00 C ATOM 0 HA ALA B 9 -4.359 3.592 9.385 1.00 0.00 H new ATOM 0 HB1 ALA B 9 -5.297 4.454 7.265 1.00 0.00 H new ATOM 0 HB2 ALA B 9 -3.530 4.659 7.337 1.00 0.00 H new ATOM 0 HB3 ALA B 9 -4.236 3.352 6.356 1.00 0.00 H new ATOM 1881 N GLU B 10 -6.321 2.118 9.447 1.00 0.00 N ATOM 1882 CA GLU B 10 -7.482 1.241 9.535 1.00 0.00 C ATOM 1883 C GLU B 10 -8.553 1.653 8.530 1.00 0.00 C ATOM 1884 O GLU B 10 -8.824 2.840 8.345 1.00 0.00 O ATOM 1885 CB GLU B 10 -8.060 1.265 10.952 1.00 0.00 C ATOM 1886 CG GLU B 10 -8.943 0.069 11.269 1.00 0.00 C ATOM 1887 CD GLU B 10 -9.180 -0.103 12.757 1.00 0.00 C ATOM 1888 OE1 GLU B 10 -9.440 0.913 13.436 1.00 0.00 O ATOM 1889 OE2 GLU B 10 -9.105 -1.251 13.241 1.00 0.00 O ATOM 0 H GLU B 10 -6.243 2.793 10.208 1.00 0.00 H new ATOM 0 HA GLU B 10 -7.158 0.227 9.299 1.00 0.00 H new ATOM 0 HB2 GLU B 10 -7.240 1.301 11.669 1.00 0.00 H new ATOM 0 HB3 GLU B 10 -8.639 2.179 11.084 1.00 0.00 H new ATOM 0 HG2 GLU B 10 -9.902 0.186 10.763 1.00 0.00 H new ATOM 0 HG3 GLU B 10 -8.481 -0.835 10.872 1.00 0.00 H new ATOM 1896 N LEU B 11 -9.159 0.665 7.882 1.00 0.00 N ATOM 1897 CA LEU B 11 -10.201 0.923 6.894 1.00 0.00 C ATOM 1898 C LEU B 11 -11.584 0.881 7.538 1.00 0.00 C ATOM 1899 O LEU B 11 -11.713 0.664 8.741 1.00 0.00 O ATOM 1900 CB LEU B 11 -10.122 -0.102 5.760 1.00 0.00 C ATOM 1901 CG LEU B 11 -8.994 0.104 4.749 1.00 0.00 C ATOM 1902 CD1 LEU B 11 -9.268 1.324 3.884 1.00 0.00 C ATOM 1903 CD2 LEU B 11 -7.657 0.241 5.461 1.00 0.00 C ATOM 0 H LEU B 11 -8.947 -0.323 8.023 1.00 0.00 H new ATOM 0 HA LEU B 11 -10.041 1.921 6.485 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -10.013 -1.093 6.200 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -11.071 -0.094 5.223 1.00 0.00 H new ATOM 0 HG LEU B 11 -8.949 -0.772 4.101 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -8.454 1.454 3.171 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -10.205 1.184 3.344 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -9.342 2.209 4.516 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -6.866 0.387 4.725 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -7.689 1.098 6.134 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -7.456 -0.664 6.035 1.00 0.00 H new ATOM 1915 N ASN B 12 -12.615 1.087 6.725 1.00 0.00 N ATOM 1916 CA ASN B 12 -13.989 1.070 7.215 1.00 0.00 C ATOM 1917 C ASN B 12 -14.705 -0.205 6.781 1.00 0.00 C ATOM 1918 O ASN B 12 -14.931 -0.430 5.591 1.00 0.00 O ATOM 1919 CB ASN B 12 -14.749 2.295 6.702 1.00 0.00 C ATOM 1920 CG ASN B 12 -16.066 2.502 7.426 1.00 0.00 C ATOM 1921 OD1 ASN B 12 -16.167 3.334 8.327 1.00 0.00 O ATOM 1922 ND2 ASN B 12 -17.083 1.744 7.032 1.00 0.00 N ATOM 0 H ASN B 12 -12.526 1.267 5.725 1.00 0.00 H new ATOM 0 HA ASN B 12 -13.961 1.097 8.304 1.00 0.00 H new ATOM 0 HB2 ASN B 12 -14.127 3.182 6.823 1.00 0.00 H new ATOM 0 HB3 ASN B 12 -14.938 2.181 5.635 1.00 0.00 H new ATOM 0 HD21 ASN B 12 -17.994 1.839 7.481 1.00 0.00 H new ATOM 0 HD22 ASN B 12 -16.953 1.067 6.280 1.00 0.00 H new