USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 748 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 6 TYR OH : rot 165:sc= -0.363 USER MOD Single : A 9 HIS : no HE2:sc= -4.08! C(o=-4.1!,f=-4.7!) USER MOD Single : A 10 THR OG1 : rot -140:sc= -1.01 USER MOD Single : A 14 GLN : amide:sc= -0.22 X(o=-0.22,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -1.52 K(o=-1.5,f=-6.4!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 137:sc= 0.0436 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -0.0987 X(o=-0.099,f=-0.013) USER MOD Single : A 34 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.0599) USER MOD Single : A 37 GLN :FLIP amide:sc= -1.07 F(o=-3.3!,f=-1.1) USER MOD Single : A 42 THR OG1 : rot 100:sc= -4.51! USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 GLN :FLIP amide:sc= -4.63! C(o=-5.3!,f=-4.6!) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.0122 X(o=-0.012,f=-0.1) USER MOD Single : A 88 THR OG1 : rot 120:sc= -2.27 USER MOD Single : A 105 SER OG : rot 180:sc= 0.249 USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=-0.086) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 14 N ILE A 3 0.252 7.843 -9.354 1.00 0.00 N ATOM 15 CA ILE A 3 0.648 7.654 -7.964 1.00 0.00 C ATOM 16 C ILE A 3 1.609 6.473 -7.826 1.00 0.00 C ATOM 17 O ILE A 3 2.157 5.996 -8.818 1.00 0.00 O ATOM 18 CB ILE A 3 -0.580 7.453 -7.043 1.00 0.00 C ATOM 19 CG1 ILE A 3 -1.153 6.036 -7.172 1.00 0.00 C ATOM 20 CG2 ILE A 3 -1.650 8.485 -7.360 1.00 0.00 C ATOM 21 CD1 ILE A 3 -1.694 5.715 -8.548 1.00 0.00 C ATOM 0 HA ILE A 3 1.161 8.562 -7.648 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.250 7.586 -6.013 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -0.374 5.316 -6.922 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.951 5.910 -6.440 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -2.508 8.332 -6.705 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -1.248 9.486 -7.204 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -1.963 8.378 -8.399 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -2.081 4.696 -8.558 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.496 6.410 -8.795 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.895 5.807 -9.284 1.00 0.00 H new ATOM 33 N GLU A 4 1.820 6.010 -6.596 1.00 0.00 N ATOM 34 CA GLU A 4 2.729 4.892 -6.359 1.00 0.00 C ATOM 35 C GLU A 4 2.246 3.991 -5.223 1.00 0.00 C ATOM 36 O GLU A 4 1.692 4.462 -4.225 1.00 0.00 O ATOM 37 CB GLU A 4 4.131 5.413 -6.041 1.00 0.00 C ATOM 38 CG GLU A 4 4.732 6.263 -7.149 1.00 0.00 C ATOM 39 CD GLU A 4 5.100 5.448 -8.373 1.00 0.00 C ATOM 40 OE1 GLU A 4 5.533 4.290 -8.208 1.00 0.00 O ATOM 41 OE2 GLU A 4 4.955 5.971 -9.499 1.00 0.00 O ATOM 0 H GLU A 4 1.379 6.387 -5.757 1.00 0.00 H new ATOM 0 HA GLU A 4 2.754 4.295 -7.271 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.091 6.002 -5.124 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.789 4.566 -5.847 1.00 0.00 H new ATOM 0 HG2 GLU A 4 4.021 7.039 -7.434 1.00 0.00 H new ATOM 0 HG3 GLU A 4 5.621 6.769 -6.773 1.00 0.00 H new ATOM 48 N TRP A 5 2.478 2.690 -5.384 1.00 0.00 N ATOM 49 CA TRP A 5 2.092 1.702 -4.383 1.00 0.00 C ATOM 50 C TRP A 5 3.304 1.296 -3.550 1.00 0.00 C ATOM 51 O TRP A 5 4.037 0.381 -3.920 1.00 0.00 O ATOM 52 CB TRP A 5 1.519 0.452 -5.063 1.00 0.00 C ATOM 53 CG TRP A 5 0.065 0.545 -5.418 1.00 0.00 C ATOM 54 CD1 TRP A 5 -0.462 0.786 -6.655 1.00 0.00 C ATOM 55 CD2 TRP A 5 -1.047 0.371 -4.534 1.00 0.00 C ATOM 56 NE1 TRP A 5 -1.834 0.778 -6.592 1.00 0.00 N ATOM 57 CE2 TRP A 5 -2.218 0.525 -5.301 1.00 0.00 C ATOM 58 CE3 TRP A 5 -1.169 0.104 -3.169 1.00 0.00 C ATOM 59 CZ2 TRP A 5 -3.491 0.419 -4.748 1.00 0.00 C ATOM 60 CZ3 TRP A 5 -2.433 -0.001 -2.622 1.00 0.00 C ATOM 61 CH2 TRP A 5 -3.579 0.156 -3.409 1.00 0.00 C ATOM 0 H TRP A 5 2.935 2.295 -6.206 1.00 0.00 H new ATOM 0 HA TRP A 5 1.335 2.148 -3.738 1.00 0.00 H new ATOM 0 HB2 TRP A 5 2.089 0.255 -5.971 1.00 0.00 H new ATOM 0 HB3 TRP A 5 1.664 -0.403 -4.403 1.00 0.00 H new ATOM 0 HD1 TRP A 5 0.116 0.958 -7.551 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -2.465 0.935 -7.378 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -0.291 -0.018 -2.552 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -4.377 0.540 -5.354 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -2.539 -0.208 -1.567 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -4.553 0.068 -2.950 1.00 0.00 H new ATOM 72 N TYR A 6 3.518 1.976 -2.430 1.00 0.00 N ATOM 73 CA TYR A 6 4.653 1.667 -1.566 1.00 0.00 C ATOM 74 C TYR A 6 4.274 0.651 -0.495 1.00 0.00 C ATOM 75 O TYR A 6 3.576 0.978 0.465 1.00 0.00 O ATOM 76 CB TYR A 6 5.189 2.941 -0.914 1.00 0.00 C ATOM 77 CG TYR A 6 5.828 3.894 -1.898 1.00 0.00 C ATOM 78 CD1 TYR A 6 6.963 3.529 -2.611 1.00 0.00 C ATOM 79 CD2 TYR A 6 5.293 5.154 -2.116 1.00 0.00 C ATOM 80 CE1 TYR A 6 7.546 4.396 -3.515 1.00 0.00 C ATOM 81 CE2 TYR A 6 5.867 6.027 -3.020 1.00 0.00 C ATOM 82 CZ TYR A 6 6.995 5.644 -3.717 1.00 0.00 C ATOM 83 OH TYR A 6 7.573 6.509 -4.620 1.00 0.00 O ATOM 0 H TYR A 6 2.927 2.739 -2.100 1.00 0.00 H new ATOM 0 HA TYR A 6 5.434 1.229 -2.187 1.00 0.00 H new ATOM 0 HB2 TYR A 6 4.372 3.451 -0.404 1.00 0.00 H new ATOM 0 HB3 TYR A 6 5.921 2.671 -0.153 1.00 0.00 H new ATOM 0 HD1 TYR A 6 7.397 2.552 -2.456 1.00 0.00 H new ATOM 0 HD2 TYR A 6 4.412 5.459 -1.570 1.00 0.00 H new ATOM 0 HE1 TYR A 6 8.429 4.098 -4.061 1.00 0.00 H new ATOM 0 HE2 TYR A 6 5.435 7.004 -3.180 1.00 0.00 H new ATOM 0 HH TYR A 6 6.947 7.234 -4.825 1.00 0.00 H new ATOM 93 N ALA A 7 4.741 -0.581 -0.666 1.00 0.00 N ATOM 94 CA ALA A 7 4.454 -1.646 0.288 1.00 0.00 C ATOM 95 C ALA A 7 5.446 -1.620 1.445 1.00 0.00 C ATOM 96 O ALA A 7 6.658 -1.670 1.237 1.00 0.00 O ATOM 97 CB ALA A 7 4.484 -3.000 -0.406 1.00 0.00 C ATOM 0 H ALA A 7 5.320 -0.867 -1.456 1.00 0.00 H new ATOM 0 HA ALA A 7 3.455 -1.482 0.692 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.268 -3.785 0.319 1.00 0.00 H new ATOM 0 HB2 ALA A 7 3.734 -3.020 -1.197 1.00 0.00 H new ATOM 0 HB3 ALA A 7 5.471 -3.166 -0.837 1.00 0.00 H new ATOM 103 N VAL A 8 4.926 -1.547 2.666 1.00 0.00 N ATOM 104 CA VAL A 8 5.771 -1.520 3.854 1.00 0.00 C ATOM 105 C VAL A 8 5.840 -2.896 4.505 1.00 0.00 C ATOM 106 O VAL A 8 5.008 -3.762 4.235 1.00 0.00 O ATOM 107 CB VAL A 8 5.267 -0.495 4.889 1.00 0.00 C ATOM 108 CG1 VAL A 8 6.337 -0.227 5.937 1.00 0.00 C ATOM 109 CG2 VAL A 8 4.848 0.798 4.205 1.00 0.00 C ATOM 0 H VAL A 8 3.925 -1.506 2.858 1.00 0.00 H new ATOM 0 HA VAL A 8 6.767 -1.223 3.526 1.00 0.00 H new ATOM 0 HB VAL A 8 4.393 -0.913 5.389 1.00 0.00 H new ATOM 0 HG11 VAL A 8 5.965 0.499 6.660 1.00 0.00 H new ATOM 0 HG12 VAL A 8 6.584 -1.156 6.450 1.00 0.00 H new ATOM 0 HG13 VAL A 8 7.230 0.169 5.453 1.00 0.00 H new ATOM 0 HG21 VAL A 8 4.496 1.508 4.953 1.00 0.00 H new ATOM 0 HG22 VAL A 8 5.701 1.223 3.676 1.00 0.00 H new ATOM 0 HG23 VAL A 8 4.047 0.591 3.495 1.00 0.00 H new ATOM 119 N HIS A 9 6.843 -3.096 5.354 1.00 0.00 N ATOM 120 CA HIS A 9 7.024 -4.372 6.034 1.00 0.00 C ATOM 121 C HIS A 9 7.026 -4.192 7.547 1.00 0.00 C ATOM 122 O HIS A 9 7.693 -3.302 8.077 1.00 0.00 O ATOM 123 CB HIS A 9 8.332 -5.030 5.583 1.00 0.00 C ATOM 124 CG HIS A 9 8.614 -4.875 4.119 1.00 0.00 C ATOM 125 ND1 HIS A 9 8.942 -5.935 3.299 1.00 0.00 N ATOM 126 CD2 HIS A 9 8.620 -3.776 3.326 1.00 0.00 C ATOM 127 CE1 HIS A 9 9.135 -5.494 2.067 1.00 0.00 C ATOM 128 NE2 HIS A 9 8.946 -4.189 2.058 1.00 0.00 N ATOM 0 H HIS A 9 7.542 -2.391 5.587 1.00 0.00 H new ATOM 0 HA HIS A 9 6.187 -5.018 5.768 1.00 0.00 H new ATOM 0 HB2 HIS A 9 9.158 -4.601 6.150 1.00 0.00 H new ATOM 0 HB3 HIS A 9 8.296 -6.092 5.826 1.00 0.00 H new ATOM 0 HD1 HIS A 9 9.023 -6.907 3.596 1.00 0.00 H new ATOM 0 HD2 HIS A 9 8.408 -2.763 3.634 1.00 0.00 H new ATOM 0 HE1 HIS A 9 9.402 -6.100 1.214 1.00 0.00 H new ATOM 137 N THR A 10 6.274 -5.042 8.241 1.00 0.00 N ATOM 138 CA THR A 10 6.189 -4.980 9.694 1.00 0.00 C ATOM 139 C THR A 10 6.261 -6.376 10.305 1.00 0.00 C ATOM 140 O THR A 10 6.472 -7.362 9.599 1.00 0.00 O ATOM 141 CB THR A 10 4.889 -4.293 10.120 1.00 0.00 C ATOM 142 OG1 THR A 10 3.764 -5.045 9.703 1.00 0.00 O ATOM 143 CG2 THR A 10 4.741 -2.895 9.562 1.00 0.00 C ATOM 0 H THR A 10 5.714 -5.783 7.818 1.00 0.00 H new ATOM 0 HA THR A 10 7.037 -4.400 10.057 1.00 0.00 H new ATOM 0 HB THR A 10 4.939 -4.229 11.207 1.00 0.00 H new ATOM 0 HG1 THR A 10 3.064 -4.437 9.385 1.00 0.00 H new ATOM 0 HG21 THR A 10 3.799 -2.465 9.902 1.00 0.00 H new ATOM 0 HG22 THR A 10 5.568 -2.276 9.908 1.00 0.00 H new ATOM 0 HG23 THR A 10 4.749 -2.935 8.473 1.00 0.00 H new ATOM 151 N LEU A 11 6.084 -6.451 11.621 1.00 0.00 N ATOM 152 CA LEU A 11 6.129 -7.726 12.325 1.00 0.00 C ATOM 153 C LEU A 11 4.770 -8.418 12.286 1.00 0.00 C ATOM 154 O LEU A 11 3.732 -7.762 12.202 1.00 0.00 O ATOM 155 CB LEU A 11 6.567 -7.515 13.777 1.00 0.00 C ATOM 156 CG LEU A 11 8.069 -7.662 14.026 1.00 0.00 C ATOM 157 CD1 LEU A 11 8.752 -6.303 13.984 1.00 0.00 C ATOM 158 CD2 LEU A 11 8.325 -8.347 15.361 1.00 0.00 C ATOM 0 H LEU A 11 5.908 -5.644 12.220 1.00 0.00 H new ATOM 0 HA LEU A 11 6.855 -8.365 11.823 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.257 -6.519 14.093 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.038 -8.229 14.408 1.00 0.00 H new ATOM 0 HG LEU A 11 8.489 -8.283 13.235 1.00 0.00 H new ATOM 0 HD11 LEU A 11 9.820 -6.427 14.163 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.599 -5.849 13.005 1.00 0.00 H new ATOM 0 HD13 LEU A 11 8.327 -5.658 14.754 1.00 0.00 H new ATOM 0 HD21 LEU A 11 9.399 -8.443 15.521 1.00 0.00 H new ATOM 0 HD22 LEU A 11 7.890 -7.752 16.164 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.869 -9.337 15.355 1.00 0.00 H new ATOM 170 N VAL A 12 4.786 -9.745 12.347 1.00 0.00 N ATOM 171 CA VAL A 12 3.557 -10.528 12.319 1.00 0.00 C ATOM 172 C VAL A 12 2.721 -10.287 13.572 1.00 0.00 C ATOM 173 O VAL A 12 3.205 -10.455 14.693 1.00 0.00 O ATOM 174 CB VAL A 12 3.854 -12.035 12.188 1.00 0.00 C ATOM 175 CG1 VAL A 12 4.661 -12.530 13.379 1.00 0.00 C ATOM 176 CG2 VAL A 12 2.562 -12.827 12.043 1.00 0.00 C ATOM 0 H VAL A 12 5.638 -10.301 12.416 1.00 0.00 H new ATOM 0 HA VAL A 12 2.993 -10.202 11.445 1.00 0.00 H new ATOM 0 HB VAL A 12 4.449 -12.189 11.288 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.860 -13.596 13.266 1.00 0.00 H new ATOM 0 HG12 VAL A 12 5.606 -11.988 13.429 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.097 -12.361 14.296 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.794 -13.888 11.952 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.936 -12.666 12.921 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.029 -12.494 11.152 1.00 0.00 H new ATOM 186 N GLY A 13 1.469 -9.892 13.378 1.00 0.00 N ATOM 187 CA GLY A 13 0.588 -9.634 14.502 1.00 0.00 C ATOM 188 C GLY A 13 0.508 -8.161 14.854 1.00 0.00 C ATOM 189 O GLY A 13 -0.501 -7.697 15.385 1.00 0.00 O ATOM 0 H GLY A 13 1.047 -9.745 12.461 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -0.411 -10.003 14.268 1.00 0.00 H new ATOM 0 HA3 GLY A 13 0.939 -10.193 15.370 1.00 0.00 H new ATOM 193 N GLN A 14 1.573 -7.426 14.554 1.00 0.00 N ATOM 194 CA GLN A 14 1.619 -5.996 14.841 1.00 0.00 C ATOM 195 C GLN A 14 1.018 -5.189 13.694 1.00 0.00 C ATOM 196 O GLN A 14 0.503 -4.090 13.900 1.00 0.00 O ATOM 197 CB GLN A 14 3.063 -5.553 15.094 1.00 0.00 C ATOM 198 CG GLN A 14 3.233 -4.728 16.359 1.00 0.00 C ATOM 199 CD GLN A 14 4.667 -4.289 16.580 1.00 0.00 C ATOM 200 OE1 GLN A 14 4.939 -3.113 16.817 1.00 0.00 O ATOM 201 NE2 GLN A 14 5.595 -5.237 16.505 1.00 0.00 N ATOM 0 H GLN A 14 2.415 -7.796 14.113 1.00 0.00 H new ATOM 0 HA GLN A 14 1.027 -5.811 15.737 1.00 0.00 H new ATOM 0 HB2 GLN A 14 3.699 -6.436 15.158 1.00 0.00 H new ATOM 0 HB3 GLN A 14 3.410 -4.970 14.241 1.00 0.00 H new ATOM 0 HG2 GLN A 14 2.592 -3.848 16.303 1.00 0.00 H new ATOM 0 HG3 GLN A 14 2.899 -5.312 17.217 1.00 0.00 H new ATOM 0 HE21 GLN A 14 5.325 -6.200 16.306 1.00 0.00 H new ATOM 0 HE22 GLN A 14 6.577 -5.001 16.646 1.00 0.00 H new ATOM 210 N GLU A 15 1.090 -5.740 12.486 1.00 0.00 N ATOM 211 CA GLU A 15 0.552 -5.068 11.306 1.00 0.00 C ATOM 212 C GLU A 15 -0.933 -4.764 11.477 1.00 0.00 C ATOM 213 O GLU A 15 -1.425 -3.738 11.006 1.00 0.00 O ATOM 214 CB GLU A 15 0.766 -5.931 10.061 1.00 0.00 C ATOM 215 CG GLU A 15 0.013 -7.251 10.099 1.00 0.00 C ATOM 216 CD GLU A 15 0.059 -7.985 8.773 1.00 0.00 C ATOM 217 OE1 GLU A 15 0.330 -7.334 7.743 1.00 0.00 O ATOM 218 OE2 GLU A 15 -0.180 -9.212 8.765 1.00 0.00 O ATOM 0 H GLU A 15 1.515 -6.648 12.298 1.00 0.00 H new ATOM 0 HA GLU A 15 1.084 -4.125 11.185 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.453 -5.369 9.181 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.831 -6.133 9.948 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.438 -7.886 10.877 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -1.026 -7.065 10.372 1.00 0.00 H new ATOM 225 N GLU A 16 -1.644 -5.662 12.155 1.00 0.00 N ATOM 226 CA GLU A 16 -3.075 -5.492 12.388 1.00 0.00 C ATOM 227 C GLU A 16 -3.369 -4.142 13.037 1.00 0.00 C ATOM 228 O GLU A 16 -4.351 -3.481 12.702 1.00 0.00 O ATOM 229 CB GLU A 16 -3.606 -6.626 13.270 1.00 0.00 C ATOM 230 CG GLU A 16 -4.430 -7.652 12.509 1.00 0.00 C ATOM 231 CD GLU A 16 -5.922 -7.424 12.653 1.00 0.00 C ATOM 232 OE1 GLU A 16 -6.490 -7.836 13.687 1.00 0.00 O ATOM 233 OE2 GLU A 16 -6.524 -6.832 11.732 1.00 0.00 O ATOM 0 H GLU A 16 -1.252 -6.515 12.553 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.581 -5.524 11.423 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.765 -7.129 13.747 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.216 -6.201 14.067 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.161 -7.618 11.453 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.182 -8.651 12.869 1.00 0.00 H new ATOM 240 N LYS A 17 -2.511 -3.739 13.970 1.00 0.00 N ATOM 241 CA LYS A 17 -2.680 -2.469 14.666 1.00 0.00 C ATOM 242 C LYS A 17 -2.009 -1.332 13.901 1.00 0.00 C ATOM 243 O LYS A 17 -2.424 -0.178 13.994 1.00 0.00 O ATOM 244 CB LYS A 17 -2.102 -2.557 16.079 1.00 0.00 C ATOM 245 CG LYS A 17 -2.850 -1.707 17.095 1.00 0.00 C ATOM 246 CD LYS A 17 -3.878 -2.526 17.859 1.00 0.00 C ATOM 247 CE LYS A 17 -4.684 -1.658 18.812 1.00 0.00 C ATOM 248 NZ LYS A 17 -5.228 -2.445 19.953 1.00 0.00 N ATOM 0 H LYS A 17 -1.693 -4.274 14.261 1.00 0.00 H new ATOM 0 HA LYS A 17 -3.748 -2.259 14.729 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.118 -3.597 16.405 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -1.058 -2.246 16.056 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -2.140 -1.267 17.796 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.347 -0.882 16.585 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.550 -3.017 17.155 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.374 -3.313 18.420 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.054 -0.855 19.193 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.505 -1.189 18.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.771 -1.818 20.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.850 -3.196 19.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.443 -2.872 20.486 1.00 0.00 H new ATOM 262 N ALA A 18 -0.967 -1.665 13.145 1.00 0.00 N ATOM 263 CA ALA A 18 -0.239 -0.670 12.366 1.00 0.00 C ATOM 264 C ALA A 18 -1.101 -0.108 11.242 1.00 0.00 C ATOM 265 O ALA A 18 -0.939 1.044 10.838 1.00 0.00 O ATOM 266 CB ALA A 18 1.040 -1.274 11.802 1.00 0.00 C ATOM 0 H ALA A 18 -0.608 -2.616 13.056 1.00 0.00 H new ATOM 0 HA ALA A 18 0.022 0.153 13.031 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.574 -0.520 11.223 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.672 -1.617 12.621 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.791 -2.117 11.158 1.00 0.00 H new ATOM 272 N LYS A 19 -2.019 -0.929 10.739 1.00 0.00 N ATOM 273 CA LYS A 19 -2.907 -0.512 9.660 1.00 0.00 C ATOM 274 C LYS A 19 -3.858 0.584 10.127 1.00 0.00 C ATOM 275 O LYS A 19 -3.886 1.679 9.561 1.00 0.00 O ATOM 276 CB LYS A 19 -3.705 -1.709 9.140 1.00 0.00 C ATOM 277 CG LYS A 19 -4.346 -1.471 7.783 1.00 0.00 C ATOM 278 CD LYS A 19 -5.823 -1.125 7.913 1.00 0.00 C ATOM 279 CE LYS A 19 -6.693 -2.077 7.106 1.00 0.00 C ATOM 280 NZ LYS A 19 -8.066 -1.539 6.905 1.00 0.00 N ATOM 0 H LYS A 19 -2.167 -1.885 11.061 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.294 -0.112 8.852 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.045 -2.574 9.074 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.483 -1.957 9.862 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.826 -0.661 7.271 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.234 -2.362 7.166 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.116 -1.164 8.962 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -5.989 -0.103 7.574 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.229 -2.259 6.137 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.751 -3.038 7.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -8.627 -2.217 6.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -8.519 -1.389 7.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -8.013 -0.635 6.394 1.00 0.00 H new ATOM 294 N ALA A 20 -4.640 0.283 11.158 1.00 0.00 N ATOM 295 CA ALA A 20 -5.597 1.243 11.700 1.00 0.00 C ATOM 296 C ALA A 20 -4.890 2.474 12.259 1.00 0.00 C ATOM 297 O ALA A 20 -5.274 3.605 11.969 1.00 0.00 O ATOM 298 CB ALA A 20 -6.447 0.587 12.775 1.00 0.00 C ATOM 0 H ALA A 20 -4.631 -0.618 11.636 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.245 1.570 10.887 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -7.157 1.313 13.171 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -6.991 -0.255 12.346 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -5.804 0.231 13.580 1.00 0.00 H new ATOM 304 N ASN A 21 -3.855 2.244 13.063 1.00 0.00 N ATOM 305 CA ASN A 21 -3.096 3.337 13.664 1.00 0.00 C ATOM 306 C ASN A 21 -2.557 4.281 12.594 1.00 0.00 C ATOM 307 O ASN A 21 -2.571 5.501 12.763 1.00 0.00 O ATOM 308 CB ASN A 21 -1.940 2.784 14.502 1.00 0.00 C ATOM 309 CG ASN A 21 -2.360 2.449 15.918 1.00 0.00 C ATOM 310 OD1 ASN A 21 -1.736 2.888 16.884 1.00 0.00 O ATOM 311 ND2 ASN A 21 -3.423 1.663 16.050 1.00 0.00 N ATOM 0 H ASN A 21 -3.523 1.312 13.313 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.769 3.899 14.311 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.543 1.889 14.023 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.132 3.516 14.529 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -3.751 1.401 16.980 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -3.911 1.321 15.222 1.00 0.00 H new ATOM 318 N LEU A 22 -2.085 3.708 11.492 1.00 0.00 N ATOM 319 CA LEU A 22 -1.544 4.499 10.392 1.00 0.00 C ATOM 320 C LEU A 22 -2.635 5.342 9.741 1.00 0.00 C ATOM 321 O LEU A 22 -2.497 6.556 9.602 1.00 0.00 O ATOM 322 CB LEU A 22 -0.896 3.584 9.349 1.00 0.00 C ATOM 323 CG LEU A 22 -0.346 4.297 8.114 1.00 0.00 C ATOM 324 CD1 LEU A 22 0.915 5.071 8.463 1.00 0.00 C ATOM 325 CD2 LEU A 22 -0.069 3.296 7.003 1.00 0.00 C ATOM 0 H LEU A 22 -2.066 2.700 11.337 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.786 5.170 10.797 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.083 3.035 9.825 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.632 2.848 9.027 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.096 5.005 7.761 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.293 5.572 7.572 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.686 5.814 9.228 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.672 4.383 8.840 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.322 3.820 6.131 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.663 2.565 7.346 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.994 2.785 6.735 1.00 0.00 H new ATOM 337 N GLU A 23 -3.721 4.687 9.341 1.00 0.00 N ATOM 338 CA GLU A 23 -4.837 5.376 8.700 1.00 0.00 C ATOM 339 C GLU A 23 -5.407 6.460 9.611 1.00 0.00 C ATOM 340 O GLU A 23 -5.655 7.583 9.173 1.00 0.00 O ATOM 341 CB GLU A 23 -5.935 4.377 8.331 1.00 0.00 C ATOM 342 CG GLU A 23 -7.126 5.011 7.630 1.00 0.00 C ATOM 343 CD GLU A 23 -8.246 4.022 7.376 1.00 0.00 C ATOM 344 OE1 GLU A 23 -7.948 2.874 6.986 1.00 0.00 O ATOM 345 OE2 GLU A 23 -9.423 4.397 7.568 1.00 0.00 O ATOM 0 H GLU A 23 -3.852 3.681 9.449 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.464 5.850 7.792 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -5.512 3.607 7.686 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -6.280 3.879 9.237 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.504 5.834 8.236 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -6.800 5.437 6.681 1.00 0.00 H new ATOM 352 N LYS A 24 -5.609 6.117 10.879 1.00 0.00 N ATOM 353 CA LYS A 24 -6.149 7.065 11.848 1.00 0.00 C ATOM 354 C LYS A 24 -5.257 8.299 11.957 1.00 0.00 C ATOM 355 O LYS A 24 -5.748 9.426 12.025 1.00 0.00 O ATOM 356 CB LYS A 24 -6.295 6.397 13.219 1.00 0.00 C ATOM 357 CG LYS A 24 -7.726 6.365 13.729 1.00 0.00 C ATOM 358 CD LYS A 24 -7.852 5.518 14.985 1.00 0.00 C ATOM 359 CE LYS A 24 -7.780 4.034 14.665 1.00 0.00 C ATOM 360 NZ LYS A 24 -7.425 3.224 15.863 1.00 0.00 N ATOM 0 H LYS A 24 -5.408 5.192 11.259 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.133 7.383 11.502 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.916 5.377 13.159 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.672 6.926 13.940 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.061 7.381 13.939 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -8.381 5.967 12.954 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -7.057 5.780 15.683 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -8.797 5.739 15.481 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -8.741 3.700 14.273 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.041 3.867 13.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.386 2.218 15.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.497 3.525 16.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -8.144 3.363 16.602 1.00 0.00 H new ATOM 374 N ARG A 25 -3.947 8.076 11.971 1.00 0.00 N ATOM 375 CA ARG A 25 -2.989 9.170 12.069 1.00 0.00 C ATOM 376 C ARG A 25 -3.052 10.056 10.830 1.00 0.00 C ATOM 377 O ARG A 25 -3.099 11.282 10.931 1.00 0.00 O ATOM 378 CB ARG A 25 -1.573 8.622 12.248 1.00 0.00 C ATOM 379 CG ARG A 25 -1.294 8.100 13.648 1.00 0.00 C ATOM 380 CD ARG A 25 -1.173 9.235 14.653 1.00 0.00 C ATOM 381 NE ARG A 25 -0.275 8.897 15.754 1.00 0.00 N ATOM 382 CZ ARG A 25 1.051 8.842 15.639 1.00 0.00 C ATOM 383 NH1 ARG A 25 1.634 9.098 14.475 1.00 0.00 N ATOM 384 NH2 ARG A 25 1.794 8.530 16.692 1.00 0.00 N ATOM 0 H ARG A 25 -3.525 7.149 11.916 1.00 0.00 H new ATOM 0 HA ARG A 25 -3.249 9.772 12.940 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.410 7.818 11.531 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.856 9.408 12.013 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -2.095 7.427 13.953 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.373 7.517 13.643 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.807 10.129 14.148 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -2.159 9.474 15.050 1.00 0.00 H new ATOM 0 HE ARG A 25 -0.687 8.691 16.664 1.00 0.00 H new ATOM 0 HH11 ARG A 25 1.066 9.338 13.662 1.00 0.00 H new ATOM 0 HH12 ARG A 25 2.650 9.054 14.393 1.00 0.00 H new ATOM 0 HH21 ARG A 25 1.350 8.332 17.589 1.00 0.00 H new ATOM 0 HH22 ARG A 25 2.809 8.488 16.605 1.00 0.00 H new ATOM 398 N ILE A 26 -3.057 9.426 9.660 1.00 0.00 N ATOM 399 CA ILE A 26 -3.118 10.156 8.399 1.00 0.00 C ATOM 400 C ILE A 26 -4.448 10.888 8.257 1.00 0.00 C ATOM 401 O ILE A 26 -4.519 11.956 7.649 1.00 0.00 O ATOM 402 CB ILE A 26 -2.923 9.211 7.194 1.00 0.00 C ATOM 403 CG1 ILE A 26 -1.577 8.493 7.297 1.00 0.00 C ATOM 404 CG2 ILE A 26 -3.018 9.985 5.884 1.00 0.00 C ATOM 405 CD1 ILE A 26 -1.382 7.422 6.244 1.00 0.00 C ATOM 0 H ILE A 26 -3.020 8.412 9.559 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.307 10.884 8.409 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.717 8.464 7.207 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.775 9.226 7.211 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.490 8.040 8.285 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.878 9.301 5.047 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.999 10.454 5.809 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -2.245 10.753 5.858 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.406 6.954 6.377 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.163 6.668 6.343 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.437 7.872 5.253 1.00 0.00 H new ATOM 417 N LYS A 27 -5.501 10.305 8.820 1.00 0.00 N ATOM 418 CA LYS A 27 -6.830 10.901 8.757 1.00 0.00 C ATOM 419 C LYS A 27 -6.982 12.007 9.796 1.00 0.00 C ATOM 420 O LYS A 27 -7.703 12.981 9.582 1.00 0.00 O ATOM 421 CB LYS A 27 -7.901 9.832 8.976 1.00 0.00 C ATOM 422 CG LYS A 27 -9.147 10.040 8.130 1.00 0.00 C ATOM 423 CD LYS A 27 -10.000 8.781 8.076 1.00 0.00 C ATOM 424 CE LYS A 27 -10.461 8.478 6.660 1.00 0.00 C ATOM 425 NZ LYS A 27 -10.321 7.033 6.328 1.00 0.00 N ATOM 0 H LYS A 27 -5.460 9.420 9.325 1.00 0.00 H new ATOM 0 HA LYS A 27 -6.957 11.338 7.767 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -7.478 8.853 8.751 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -8.184 9.822 10.029 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.734 10.861 8.541 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -8.858 10.329 7.119 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -9.428 7.937 8.462 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.868 8.901 8.724 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.503 8.778 6.545 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -9.879 9.071 5.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -11.169 6.710 5.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -9.484 6.894 5.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -10.212 6.484 7.205 1.00 0.00 H new ATOM 439 N ALA A 28 -6.295 11.849 10.923 1.00 0.00 N ATOM 440 CA ALA A 28 -6.352 12.833 11.997 1.00 0.00 C ATOM 441 C ALA A 28 -5.531 14.070 11.651 1.00 0.00 C ATOM 442 O ALA A 28 -5.909 15.193 11.987 1.00 0.00 O ATOM 443 CB ALA A 28 -5.864 12.220 13.301 1.00 0.00 C ATOM 0 H ALA A 28 -5.693 11.049 11.116 1.00 0.00 H new ATOM 0 HA ALA A 28 -7.390 13.141 12.120 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -5.912 12.966 14.094 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -6.496 11.371 13.563 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -4.834 11.883 13.182 1.00 0.00 H new ATOM 449 N PHE A 29 -4.406 13.856 10.979 1.00 0.00 N ATOM 450 CA PHE A 29 -3.530 14.954 10.585 1.00 0.00 C ATOM 451 C PHE A 29 -4.019 15.610 9.297 1.00 0.00 C ATOM 452 O PHE A 29 -3.728 16.779 9.036 1.00 0.00 O ATOM 453 CB PHE A 29 -2.098 14.450 10.402 1.00 0.00 C ATOM 454 CG PHE A 29 -1.298 14.436 11.674 1.00 0.00 C ATOM 455 CD1 PHE A 29 -0.835 15.618 12.229 1.00 0.00 C ATOM 456 CD2 PHE A 29 -1.009 13.242 12.315 1.00 0.00 C ATOM 457 CE1 PHE A 29 -0.100 15.609 13.400 1.00 0.00 C ATOM 458 CE2 PHE A 29 -0.276 13.226 13.485 1.00 0.00 C ATOM 459 CZ PHE A 29 0.180 14.411 14.028 1.00 0.00 C ATOM 0 H PHE A 29 -4.079 12.933 10.695 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.548 15.701 11.379 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -2.127 13.441 9.990 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.591 15.079 9.671 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -1.051 16.557 11.741 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -1.362 12.312 11.894 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.255 16.537 13.823 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.060 12.288 13.975 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.755 14.401 14.942 1.00 0.00 H new ATOM 469 N GLY A 30 -4.762 14.854 8.493 1.00 0.00 N ATOM 470 CA GLY A 30 -5.275 15.384 7.244 1.00 0.00 C ATOM 471 C GLY A 30 -4.298 15.210 6.099 1.00 0.00 C ATOM 472 O GLY A 30 -3.623 16.159 5.700 1.00 0.00 O ATOM 0 H GLY A 30 -5.017 13.885 8.685 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.212 14.884 6.998 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.501 16.443 7.367 1.00 0.00 H new ATOM 476 N LEU A 31 -4.220 13.993 5.570 1.00 0.00 N ATOM 477 CA LEU A 31 -3.315 13.695 4.465 1.00 0.00 C ATOM 478 C LEU A 31 -3.986 12.772 3.451 1.00 0.00 C ATOM 479 O LEU A 31 -3.352 11.870 2.902 1.00 0.00 O ATOM 480 CB LEU A 31 -2.021 13.053 4.981 1.00 0.00 C ATOM 481 CG LEU A 31 -1.746 13.240 6.477 1.00 0.00 C ATOM 482 CD1 LEU A 31 -0.741 12.210 6.969 1.00 0.00 C ATOM 483 CD2 LEU A 31 -1.245 14.650 6.753 1.00 0.00 C ATOM 0 H LEU A 31 -4.773 13.197 5.889 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.067 14.635 3.972 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.054 11.985 4.766 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.182 13.465 4.420 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.680 13.093 7.020 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.559 12.359 8.033 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.137 11.208 6.806 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.194 12.324 6.421 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.055 14.766 7.820 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.323 14.823 6.199 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.999 15.372 6.438 1.00 0.00 H new ATOM 495 N GLN A 32 -5.273 13.003 3.210 1.00 0.00 N ATOM 496 CA GLN A 32 -6.031 12.192 2.263 1.00 0.00 C ATOM 497 C GLN A 32 -5.638 12.505 0.820 1.00 0.00 C ATOM 498 O GLN A 32 -6.052 11.810 -0.108 1.00 0.00 O ATOM 499 CB GLN A 32 -7.532 12.424 2.454 1.00 0.00 C ATOM 500 CG GLN A 32 -8.055 11.947 3.799 1.00 0.00 C ATOM 501 CD GLN A 32 -9.346 11.161 3.678 1.00 0.00 C ATOM 502 OE1 GLN A 32 -10.353 11.501 4.298 1.00 0.00 O ATOM 503 NE2 GLN A 32 -9.321 10.103 2.876 1.00 0.00 N ATOM 0 H GLN A 32 -5.812 13.744 3.657 1.00 0.00 H new ATOM 0 HA GLN A 32 -5.797 11.146 2.459 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -7.743 13.488 2.348 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -8.074 11.911 1.660 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -7.299 11.325 4.279 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -8.218 12.808 4.447 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -8.463 9.858 2.381 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -10.160 9.535 2.755 1.00 0.00 H new ATOM 512 N ASP A 33 -4.837 13.552 0.632 1.00 0.00 N ATOM 513 CA ASP A 33 -4.398 13.947 -0.701 1.00 0.00 C ATOM 514 C ASP A 33 -3.241 13.072 -1.178 1.00 0.00 C ATOM 515 O ASP A 33 -3.059 12.867 -2.377 1.00 0.00 O ATOM 516 CB ASP A 33 -3.975 15.417 -0.709 1.00 0.00 C ATOM 517 CG ASP A 33 -5.162 16.360 -0.696 1.00 0.00 C ATOM 518 OD1 ASP A 33 -6.102 16.120 0.091 1.00 0.00 O ATOM 519 OD2 ASP A 33 -5.153 17.337 -1.474 1.00 0.00 O ATOM 0 H ASP A 33 -4.480 14.140 1.385 1.00 0.00 H new ATOM 0 HA ASP A 33 -5.237 13.813 -1.384 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.347 15.616 0.159 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -3.368 15.613 -1.593 1.00 0.00 H new ATOM 524 N LYS A 34 -2.462 12.557 -0.231 1.00 0.00 N ATOM 525 CA LYS A 34 -1.327 11.703 -0.559 1.00 0.00 C ATOM 526 C LYS A 34 -1.755 10.242 -0.650 1.00 0.00 C ATOM 527 O LYS A 34 -1.606 9.605 -1.693 1.00 0.00 O ATOM 528 CB LYS A 34 -0.223 11.864 0.486 1.00 0.00 C ATOM 529 CG LYS A 34 0.344 13.273 0.557 1.00 0.00 C ATOM 530 CD LYS A 34 0.022 13.945 1.884 1.00 0.00 C ATOM 531 CE LYS A 34 -1.019 15.041 1.716 1.00 0.00 C ATOM 532 NZ LYS A 34 -0.474 16.221 0.989 1.00 0.00 N ATOM 0 H LYS A 34 -2.596 12.716 0.767 1.00 0.00 H new ATOM 0 HA LYS A 34 -0.941 12.009 -1.531 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -0.617 11.590 1.465 1.00 0.00 H new ATOM 0 HB3 LYS A 34 0.584 11.167 0.261 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.425 13.237 0.420 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -0.061 13.870 -0.260 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -0.343 13.200 2.591 1.00 0.00 H new ATOM 0 HD3 LYS A 34 0.932 14.368 2.309 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -1.878 14.646 1.173 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -1.378 15.353 2.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -1.114 17.032 1.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 0.465 16.459 1.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -0.392 15.998 -0.023 1.00 0.00 H new ATOM 546 N ILE A 35 -2.289 9.717 0.449 1.00 0.00 N ATOM 547 CA ILE A 35 -2.743 8.333 0.489 1.00 0.00 C ATOM 548 C ILE A 35 -4.116 8.194 -0.159 1.00 0.00 C ATOM 549 O ILE A 35 -5.077 8.840 0.256 1.00 0.00 O ATOM 550 CB ILE A 35 -2.813 7.803 1.934 1.00 0.00 C ATOM 551 CG1 ILE A 35 -3.652 8.740 2.806 1.00 0.00 C ATOM 552 CG2 ILE A 35 -1.415 7.640 2.507 1.00 0.00 C ATOM 553 CD1 ILE A 35 -4.735 8.028 3.589 1.00 0.00 C ATOM 0 H ILE A 35 -2.417 10.229 1.322 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.015 7.743 -0.068 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.294 6.825 1.924 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -2.995 9.261 3.502 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.112 9.499 2.172 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.482 7.265 3.528 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.852 6.934 1.897 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.907 8.604 2.507 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.290 8.753 4.184 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.415 7.529 2.898 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.281 7.289 4.248 1.00 0.00 H new ATOM 565 N PHE A 36 -4.199 7.350 -1.182 1.00 0.00 N ATOM 566 CA PHE A 36 -5.457 7.136 -1.888 1.00 0.00 C ATOM 567 C PHE A 36 -6.018 5.746 -1.608 1.00 0.00 C ATOM 568 O PHE A 36 -7.213 5.590 -1.358 1.00 0.00 O ATOM 569 CB PHE A 36 -5.264 7.316 -3.395 1.00 0.00 C ATOM 570 CG PHE A 36 -4.407 8.495 -3.758 1.00 0.00 C ATOM 571 CD1 PHE A 36 -4.881 9.787 -3.601 1.00 0.00 C ATOM 572 CD2 PHE A 36 -3.130 8.308 -4.258 1.00 0.00 C ATOM 573 CE1 PHE A 36 -4.096 10.872 -3.938 1.00 0.00 C ATOM 574 CE2 PHE A 36 -2.339 9.389 -4.596 1.00 0.00 C ATOM 575 CZ PHE A 36 -2.822 10.673 -4.436 1.00 0.00 C ATOM 0 H PHE A 36 -3.414 6.805 -1.539 1.00 0.00 H new ATOM 0 HA PHE A 36 -6.168 7.878 -1.524 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -4.815 6.412 -3.805 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -6.240 7.429 -3.866 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -5.875 9.948 -3.211 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.748 7.306 -4.385 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -4.477 11.875 -3.813 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.344 9.230 -4.985 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.206 11.520 -4.699 1.00 0.00 H new ATOM 585 N GLN A 37 -5.156 4.736 -1.665 1.00 0.00 N ATOM 586 CA GLN A 37 -5.591 3.361 -1.431 1.00 0.00 C ATOM 587 C GLN A 37 -4.860 2.726 -0.252 1.00 0.00 C ATOM 588 O GLN A 37 -3.890 3.276 0.268 1.00 0.00 O ATOM 589 CB GLN A 37 -5.368 2.515 -2.683 1.00 0.00 C ATOM 590 CG GLN A 37 -5.983 3.108 -3.938 1.00 0.00 C ATOM 591 CD GLN A 37 -7.087 2.244 -4.515 1.00 0.00 C ATOM 592 OE1 GLN A 37 -6.792 1.569 -5.621 1.00 0.00 O flip ATOM 593 NE2 GLN A 37 -8.191 2.184 -3.975 1.00 0.00 N flip ATOM 0 H GLN A 37 -4.162 4.840 -1.869 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.654 3.394 -1.192 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -4.297 2.388 -2.839 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -5.786 1.522 -2.519 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.383 4.096 -3.709 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -5.205 3.245 -4.689 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -8.373 2.720 -3.126 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -8.924 1.599 -4.376 1.00 0.00 H new ATOM 602 N VAL A 38 -5.342 1.553 0.149 1.00 0.00 N ATOM 603 CA VAL A 38 -4.754 0.808 1.255 1.00 0.00 C ATOM 604 C VAL A 38 -5.045 -0.681 1.099 1.00 0.00 C ATOM 605 O VAL A 38 -6.055 -1.183 1.591 1.00 0.00 O ATOM 606 CB VAL A 38 -5.296 1.290 2.614 1.00 0.00 C ATOM 607 CG1 VAL A 38 -4.557 0.611 3.757 1.00 0.00 C ATOM 608 CG2 VAL A 38 -5.187 2.803 2.723 1.00 0.00 C ATOM 0 H VAL A 38 -6.146 1.096 -0.281 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.678 0.981 1.231 1.00 0.00 H new ATOM 0 HB VAL A 38 -6.349 1.017 2.682 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -4.954 0.965 4.708 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.691 -0.468 3.687 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.495 0.849 3.696 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -5.574 3.127 3.689 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.142 3.100 2.633 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.766 3.268 1.925 1.00 0.00 H new ATOM 618 N LEU A 39 -4.160 -1.377 0.393 1.00 0.00 N ATOM 619 CA LEU A 39 -4.322 -2.807 0.149 1.00 0.00 C ATOM 620 C LEU A 39 -3.888 -3.632 1.357 1.00 0.00 C ATOM 621 O LEU A 39 -3.095 -3.177 2.183 1.00 0.00 O ATOM 622 CB LEU A 39 -3.512 -3.223 -1.081 1.00 0.00 C ATOM 623 CG LEU A 39 -4.337 -3.609 -2.312 1.00 0.00 C ATOM 624 CD1 LEU A 39 -3.756 -2.982 -3.570 1.00 0.00 C ATOM 625 CD2 LEU A 39 -4.395 -5.120 -2.449 1.00 0.00 C ATOM 0 H LEU A 39 -3.320 -0.973 -0.022 1.00 0.00 H new ATOM 0 HA LEU A 39 -5.380 -2.998 -0.029 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.848 -2.402 -1.352 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.879 -4.068 -0.809 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.350 -3.229 -2.182 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.358 -3.270 -4.432 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.760 -1.897 -3.471 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.732 -3.329 -3.710 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.984 -5.383 -3.327 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.385 -5.515 -2.558 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.858 -5.548 -1.560 1.00 0.00 H new ATOM 637 N ILE A 40 -4.410 -4.853 1.445 1.00 0.00 N ATOM 638 CA ILE A 40 -4.079 -5.754 2.540 1.00 0.00 C ATOM 639 C ILE A 40 -3.445 -7.042 2.015 1.00 0.00 C ATOM 640 O ILE A 40 -3.802 -7.522 0.939 1.00 0.00 O ATOM 641 CB ILE A 40 -5.324 -6.111 3.373 1.00 0.00 C ATOM 642 CG1 ILE A 40 -6.472 -6.538 2.458 1.00 0.00 C ATOM 643 CG2 ILE A 40 -5.740 -4.930 4.239 1.00 0.00 C ATOM 644 CD1 ILE A 40 -7.507 -7.401 3.146 1.00 0.00 C ATOM 0 H ILE A 40 -5.066 -5.240 0.767 1.00 0.00 H new ATOM 0 HA ILE A 40 -3.366 -5.231 3.177 1.00 0.00 H new ATOM 0 HB ILE A 40 -5.077 -6.947 4.028 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -6.960 -5.648 2.061 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.064 -7.084 1.607 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -6.621 -5.199 4.821 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -4.925 -4.669 4.914 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -5.972 -4.076 3.603 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -8.291 -7.665 2.436 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -7.034 -8.309 3.519 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -7.943 -6.851 3.980 1.00 0.00 H new ATOM 656 N PRO A 41 -2.491 -7.617 2.766 1.00 0.00 N ATOM 657 CA PRO A 41 -1.805 -8.851 2.366 1.00 0.00 C ATOM 658 C PRO A 41 -2.724 -10.071 2.364 1.00 0.00 C ATOM 659 O PRO A 41 -2.388 -11.108 1.793 1.00 0.00 O ATOM 660 CB PRO A 41 -0.711 -9.013 3.426 1.00 0.00 C ATOM 661 CG PRO A 41 -1.216 -8.264 4.610 1.00 0.00 C ATOM 662 CD PRO A 41 -2.000 -7.107 4.060 1.00 0.00 C ATOM 0 HA PRO A 41 -1.429 -8.784 1.345 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -0.543 -10.063 3.664 1.00 0.00 H new ATOM 0 HB3 PRO A 41 0.240 -8.609 3.078 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -1.843 -8.899 5.236 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -0.392 -7.917 5.233 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -2.821 -6.827 4.720 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -1.376 -6.222 3.934 1.00 0.00 H new ATOM 670 N THR A 42 -3.884 -9.945 3.004 1.00 0.00 N ATOM 671 CA THR A 42 -4.839 -11.048 3.070 1.00 0.00 C ATOM 672 C THR A 42 -5.764 -11.046 1.857 1.00 0.00 C ATOM 673 O THR A 42 -6.371 -10.028 1.528 1.00 0.00 O ATOM 674 CB THR A 42 -5.669 -10.959 4.351 1.00 0.00 C ATOM 675 OG1 THR A 42 -6.417 -9.755 4.383 1.00 0.00 O ATOM 676 CG2 THR A 42 -4.835 -11.015 5.611 1.00 0.00 C ATOM 0 H THR A 42 -4.184 -9.095 3.482 1.00 0.00 H new ATOM 0 HA THR A 42 -4.273 -11.979 3.073 1.00 0.00 H new ATOM 0 HB THR A 42 -6.324 -11.830 4.330 1.00 0.00 H new ATOM 0 HG1 THR A 42 -7.341 -9.937 4.112 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.487 -10.947 6.482 1.00 0.00 H new ATOM 0 HG22 THR A 42 -4.285 -11.956 5.642 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.131 -10.183 5.619 1.00 0.00 H new ATOM 948 N LYS A 59 -7.115 -15.716 3.038 1.00 0.00 N ATOM 949 CA LYS A 59 -5.795 -16.227 3.396 1.00 0.00 C ATOM 950 C LYS A 59 -4.745 -15.124 3.319 1.00 0.00 C ATOM 951 O LYS A 59 -4.865 -14.194 2.523 1.00 0.00 O ATOM 952 CB LYS A 59 -5.407 -17.384 2.473 1.00 0.00 C ATOM 953 CG LYS A 59 -5.577 -17.065 0.996 1.00 0.00 C ATOM 954 CD LYS A 59 -4.626 -17.882 0.137 1.00 0.00 C ATOM 955 CE LYS A 59 -4.952 -17.742 -1.343 1.00 0.00 C ATOM 956 NZ LYS A 59 -4.269 -18.780 -2.161 1.00 0.00 N ATOM 0 HA LYS A 59 -5.839 -16.589 4.423 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.368 -17.655 2.661 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -6.014 -18.255 2.721 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -6.605 -17.266 0.695 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.398 -16.003 0.829 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.601 -17.558 0.317 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -4.684 -18.931 0.426 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -6.030 -17.818 -1.486 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.653 -16.752 -1.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.516 -18.651 -3.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -3.239 -18.692 -2.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -4.573 -19.724 -1.848 1.00 0.00 H new ATOM 970 N LYS A 60 -3.717 -15.235 4.153 1.00 0.00 N ATOM 971 CA LYS A 60 -2.644 -14.247 4.183 1.00 0.00 C ATOM 972 C LYS A 60 -1.632 -14.504 3.070 1.00 0.00 C ATOM 973 O LYS A 60 -0.869 -15.468 3.124 1.00 0.00 O ATOM 974 CB LYS A 60 -1.940 -14.272 5.542 1.00 0.00 C ATOM 975 CG LYS A 60 -2.432 -13.204 6.505 1.00 0.00 C ATOM 976 CD LYS A 60 -3.575 -13.715 7.368 1.00 0.00 C ATOM 977 CE LYS A 60 -3.059 -14.429 8.608 1.00 0.00 C ATOM 978 NZ LYS A 60 -2.821 -13.484 9.735 1.00 0.00 N ATOM 0 H LYS A 60 -3.604 -16.000 4.818 1.00 0.00 H new ATOM 0 HA LYS A 60 -3.086 -13.263 4.026 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -2.082 -15.252 5.997 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.868 -14.144 5.389 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -1.609 -12.881 7.143 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -2.762 -12.330 5.943 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -4.210 -12.880 7.665 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -4.196 -14.396 6.786 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -3.779 -15.187 8.916 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -2.131 -14.949 8.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -2.470 -14.010 10.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -2.115 -12.775 9.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -3.711 -13.006 9.982 1.00 0.00 H new ATOM 992 N LEU A 61 -1.624 -13.630 2.067 1.00 0.00 N ATOM 993 CA LEU A 61 -0.696 -13.764 0.950 1.00 0.00 C ATOM 994 C LEU A 61 0.702 -13.319 1.357 1.00 0.00 C ATOM 995 O LEU A 61 1.621 -14.134 1.458 1.00 0.00 O ATOM 996 CB LEU A 61 -1.172 -12.935 -0.247 1.00 0.00 C ATOM 997 CG LEU A 61 -2.536 -13.332 -0.816 1.00 0.00 C ATOM 998 CD1 LEU A 61 -2.815 -12.568 -2.103 1.00 0.00 C ATOM 999 CD2 LEU A 61 -2.599 -14.831 -1.059 1.00 0.00 C ATOM 0 H LEU A 61 -2.247 -12.825 2.005 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.663 -14.815 0.664 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.212 -11.887 0.050 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.429 -13.013 -1.041 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.304 -13.073 -0.087 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.789 -12.861 -2.496 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.813 -11.497 -1.898 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.043 -12.798 -2.837 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.577 -15.093 -1.464 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.824 -15.117 -1.770 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.442 -15.359 -0.118 1.00 0.00 H new ATOM 1011 N PHE A 62 0.856 -12.021 1.592 1.00 0.00 N ATOM 1012 CA PHE A 62 2.140 -11.461 1.993 1.00 0.00 C ATOM 1013 C PHE A 62 2.176 -11.222 3.503 1.00 0.00 C ATOM 1014 O PHE A 62 1.688 -10.201 3.989 1.00 0.00 O ATOM 1015 CB PHE A 62 2.397 -10.149 1.248 1.00 0.00 C ATOM 1016 CG PHE A 62 2.208 -10.254 -0.240 1.00 0.00 C ATOM 1017 CD1 PHE A 62 3.163 -10.875 -1.030 1.00 0.00 C ATOM 1018 CD2 PHE A 62 1.078 -9.731 -0.847 1.00 0.00 C ATOM 1019 CE1 PHE A 62 2.993 -10.973 -2.399 1.00 0.00 C ATOM 1020 CE2 PHE A 62 0.901 -9.826 -2.215 1.00 0.00 C ATOM 1021 CZ PHE A 62 1.861 -10.448 -2.991 1.00 0.00 C ATOM 0 H PHE A 62 0.105 -11.335 1.511 1.00 0.00 H new ATOM 0 HA PHE A 62 2.923 -12.175 1.737 1.00 0.00 H new ATOM 0 HB2 PHE A 62 1.727 -9.383 1.638 1.00 0.00 H new ATOM 0 HB3 PHE A 62 3.415 -9.817 1.454 1.00 0.00 H new ATOM 0 HD1 PHE A 62 4.050 -11.287 -0.571 1.00 0.00 H new ATOM 0 HD2 PHE A 62 0.326 -9.243 -0.244 1.00 0.00 H new ATOM 0 HE1 PHE A 62 3.744 -11.459 -3.004 1.00 0.00 H new ATOM 0 HE2 PHE A 62 0.015 -9.415 -2.676 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.726 -10.523 -4.060 1.00 0.00 H new ATOM 1031 N PRO A 63 2.750 -12.167 4.271 1.00 0.00 N ATOM 1032 CA PRO A 63 2.837 -12.052 5.733 1.00 0.00 C ATOM 1033 C PRO A 63 3.650 -10.842 6.179 1.00 0.00 C ATOM 1034 O PRO A 63 4.853 -10.762 5.930 1.00 0.00 O ATOM 1035 CB PRO A 63 3.530 -13.351 6.163 1.00 0.00 C ATOM 1036 CG PRO A 63 4.211 -13.855 4.937 1.00 0.00 C ATOM 1037 CD PRO A 63 3.355 -13.419 3.783 1.00 0.00 C ATOM 0 HA PRO A 63 1.853 -11.912 6.182 1.00 0.00 H new ATOM 0 HB2 PRO A 63 4.246 -13.169 6.964 1.00 0.00 H new ATOM 0 HB3 PRO A 63 2.809 -14.076 6.539 1.00 0.00 H new ATOM 0 HG2 PRO A 63 5.218 -13.446 4.853 1.00 0.00 H new ATOM 0 HG3 PRO A 63 4.309 -14.940 4.963 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.946 -13.257 2.881 1.00 0.00 H new ATOM 0 HD3 PRO A 63 2.598 -14.164 3.538 1.00 0.00 H new ATOM 1045 N GLY A 64 2.983 -9.903 6.844 1.00 0.00 N ATOM 1046 CA GLY A 64 3.656 -8.710 7.323 1.00 0.00 C ATOM 1047 C GLY A 64 3.991 -7.737 6.210 1.00 0.00 C ATOM 1048 O GLY A 64 5.052 -7.114 6.222 1.00 0.00 O ATOM 0 H GLY A 64 1.987 -9.948 7.060 1.00 0.00 H new ATOM 0 HA2 GLY A 64 3.023 -8.211 8.057 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.574 -8.997 7.836 1.00 0.00 H new ATOM 1052 N TYR A 65 3.085 -7.605 5.245 1.00 0.00 N ATOM 1053 CA TYR A 65 3.298 -6.696 4.123 1.00 0.00 C ATOM 1054 C TYR A 65 2.063 -5.835 3.871 1.00 0.00 C ATOM 1055 O TYR A 65 1.034 -6.327 3.410 1.00 0.00 O ATOM 1056 CB TYR A 65 3.640 -7.486 2.859 1.00 0.00 C ATOM 1057 CG TYR A 65 4.981 -8.181 2.920 1.00 0.00 C ATOM 1058 CD1 TYR A 65 5.113 -9.424 3.526 1.00 0.00 C ATOM 1059 CD2 TYR A 65 6.115 -7.596 2.371 1.00 0.00 C ATOM 1060 CE1 TYR A 65 6.337 -10.064 3.584 1.00 0.00 C ATOM 1061 CE2 TYR A 65 7.342 -8.229 2.422 1.00 0.00 C ATOM 1062 CZ TYR A 65 7.447 -9.462 3.030 1.00 0.00 C ATOM 1063 OH TYR A 65 8.667 -10.097 3.086 1.00 0.00 O ATOM 0 H TYR A 65 2.201 -8.113 5.217 1.00 0.00 H new ATOM 0 HA TYR A 65 4.131 -6.041 4.377 1.00 0.00 H new ATOM 0 HB2 TYR A 65 2.863 -8.230 2.685 1.00 0.00 H new ATOM 0 HB3 TYR A 65 3.630 -6.809 2.005 1.00 0.00 H new ATOM 0 HD1 TYR A 65 4.245 -9.898 3.959 1.00 0.00 H new ATOM 0 HD2 TYR A 65 6.036 -6.629 1.896 1.00 0.00 H new ATOM 0 HE1 TYR A 65 6.423 -11.029 4.060 1.00 0.00 H new ATOM 0 HE2 TYR A 65 8.213 -7.761 1.988 1.00 0.00 H new ATOM 0 HH TYR A 65 9.346 -9.541 2.650 1.00 0.00 H new ATOM 1073 N LEU A 66 2.178 -4.545 4.169 1.00 0.00 N ATOM 1074 CA LEU A 66 1.075 -3.612 3.964 1.00 0.00 C ATOM 1075 C LEU A 66 1.317 -2.762 2.722 1.00 0.00 C ATOM 1076 O LEU A 66 2.433 -2.299 2.486 1.00 0.00 O ATOM 1077 CB LEU A 66 0.900 -2.714 5.190 1.00 0.00 C ATOM 1078 CG LEU A 66 2.120 -1.864 5.549 1.00 0.00 C ATOM 1079 CD1 LEU A 66 1.691 -0.487 6.034 1.00 0.00 C ATOM 1080 CD2 LEU A 66 2.963 -2.564 6.603 1.00 0.00 C ATOM 0 H LEU A 66 3.023 -4.122 4.553 1.00 0.00 H new ATOM 0 HA LEU A 66 0.162 -4.189 3.819 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.052 -2.051 5.018 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.647 -3.339 6.046 1.00 0.00 H new ATOM 0 HG LEU A 66 2.726 -1.736 4.652 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.573 0.102 6.284 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.129 0.017 5.248 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.062 -0.592 6.918 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.827 -1.946 6.847 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.365 -2.723 7.500 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.302 -3.526 6.218 1.00 0.00 H new ATOM 1092 N PHE A 67 0.273 -2.568 1.924 1.00 0.00 N ATOM 1093 CA PHE A 67 0.383 -1.782 0.701 1.00 0.00 C ATOM 1094 C PHE A 67 -0.286 -0.421 0.859 1.00 0.00 C ATOM 1095 O PHE A 67 -1.388 -0.318 1.396 1.00 0.00 O ATOM 1096 CB PHE A 67 -0.241 -2.541 -0.469 1.00 0.00 C ATOM 1097 CG PHE A 67 0.493 -3.804 -0.820 1.00 0.00 C ATOM 1098 CD1 PHE A 67 0.629 -4.824 0.109 1.00 0.00 C ATOM 1099 CD2 PHE A 67 1.052 -3.970 -2.076 1.00 0.00 C ATOM 1100 CE1 PHE A 67 1.307 -5.984 -0.210 1.00 0.00 C ATOM 1101 CE2 PHE A 67 1.731 -5.127 -2.400 1.00 0.00 C ATOM 1102 CZ PHE A 67 1.859 -6.136 -1.466 1.00 0.00 C ATOM 0 H PHE A 67 -0.658 -2.944 2.102 1.00 0.00 H new ATOM 0 HA PHE A 67 1.441 -1.618 0.498 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -1.274 -2.786 -0.224 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -0.267 -1.890 -1.343 1.00 0.00 H new ATOM 0 HD1 PHE A 67 0.200 -4.710 1.093 1.00 0.00 H new ATOM 0 HD2 PHE A 67 0.955 -3.185 -2.811 1.00 0.00 H new ATOM 0 HE1 PHE A 67 1.405 -6.772 0.523 1.00 0.00 H new ATOM 0 HE2 PHE A 67 2.162 -5.243 -3.383 1.00 0.00 H new ATOM 0 HZ PHE A 67 2.390 -7.042 -1.718 1.00 0.00 H new ATOM 1112 N ILE A 68 0.393 0.622 0.390 1.00 0.00 N ATOM 1113 CA ILE A 68 -0.133 1.980 0.481 1.00 0.00 C ATOM 1114 C ILE A 68 0.050 2.732 -0.833 1.00 0.00 C ATOM 1115 O ILE A 68 1.171 3.077 -1.208 1.00 0.00 O ATOM 1116 CB ILE A 68 0.560 2.787 1.599 1.00 0.00 C ATOM 1117 CG1 ILE A 68 0.756 1.937 2.857 1.00 0.00 C ATOM 1118 CG2 ILE A 68 -0.243 4.037 1.922 1.00 0.00 C ATOM 1119 CD1 ILE A 68 1.987 2.319 3.650 1.00 0.00 C ATOM 0 H ILE A 68 1.308 0.553 -0.056 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.194 1.883 0.709 1.00 0.00 H new ATOM 0 HB ILE A 68 1.545 3.084 1.240 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.123 2.035 3.494 1.00 0.00 H new ATOM 0 HG13 ILE A 68 0.827 0.888 2.571 1.00 0.00 H new ATOM 0 HG21 ILE A 68 0.257 4.597 2.712 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -0.322 4.659 1.031 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.241 3.752 2.255 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.067 1.679 4.528 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.873 2.195 3.028 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.908 3.359 3.966 1.00 0.00 H new ATOM 1131 N GLN A 69 -1.054 2.998 -1.525 1.00 0.00 N ATOM 1132 CA GLN A 69 -0.998 3.728 -2.786 1.00 0.00 C ATOM 1133 C GLN A 69 -1.013 5.227 -2.527 1.00 0.00 C ATOM 1134 O GLN A 69 -2.026 5.897 -2.736 1.00 0.00 O ATOM 1135 CB GLN A 69 -2.168 3.344 -3.689 1.00 0.00 C ATOM 1136 CG GLN A 69 -1.909 3.630 -5.158 1.00 0.00 C ATOM 1137 CD GLN A 69 -3.185 3.780 -5.961 1.00 0.00 C ATOM 1138 OE1 GLN A 69 -3.907 4.869 -5.726 1.00 0.00 O flip ATOM 1139 NE2 GLN A 69 -3.519 2.926 -6.783 1.00 0.00 N flip ATOM 0 H GLN A 69 -1.992 2.721 -1.236 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.070 3.462 -3.292 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.382 2.282 -3.564 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -3.058 3.888 -3.371 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -1.320 4.543 -5.247 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -1.312 2.822 -5.581 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -2.933 2.104 -6.931 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -4.381 3.040 -7.316 1.00 0.00 H new ATOM 1148 N MET A 70 0.120 5.740 -2.058 1.00 0.00 N ATOM 1149 CA MET A 70 0.255 7.162 -1.753 1.00 0.00 C ATOM 1150 C MET A 70 0.780 7.945 -2.955 1.00 0.00 C ATOM 1151 O MET A 70 0.816 7.436 -4.074 1.00 0.00 O ATOM 1152 CB MET A 70 1.180 7.357 -0.548 1.00 0.00 C ATOM 1153 CG MET A 70 2.613 6.931 -0.805 1.00 0.00 C ATOM 1154 SD MET A 70 3.728 7.395 0.532 1.00 0.00 S ATOM 1155 CE MET A 70 3.470 6.038 1.673 1.00 0.00 C ATOM 0 H MET A 70 0.961 5.191 -1.880 1.00 0.00 H new ATOM 0 HA MET A 70 -0.735 7.548 -1.511 1.00 0.00 H new ATOM 0 HB2 MET A 70 1.169 8.408 -0.259 1.00 0.00 H new ATOM 0 HB3 MET A 70 0.787 6.790 0.296 1.00 0.00 H new ATOM 0 HG2 MET A 70 2.647 5.850 -0.942 1.00 0.00 H new ATOM 0 HG3 MET A 70 2.960 7.382 -1.735 1.00 0.00 H new ATOM 0 HE1 MET A 70 4.093 6.181 2.556 1.00 0.00 H new ATOM 0 HE2 MET A 70 2.422 6.007 1.970 1.00 0.00 H new ATOM 0 HE3 MET A 70 3.738 5.099 1.188 1.00 0.00 H new ATOM 1165 N ASP A 71 1.190 9.188 -2.706 1.00 0.00 N ATOM 1166 CA ASP A 71 1.721 10.051 -3.756 1.00 0.00 C ATOM 1167 C ASP A 71 2.949 10.809 -3.260 1.00 0.00 C ATOM 1168 O ASP A 71 2.827 11.866 -2.638 1.00 0.00 O ATOM 1169 CB ASP A 71 0.654 11.044 -4.218 1.00 0.00 C ATOM 1170 CG ASP A 71 0.740 11.340 -5.702 1.00 0.00 C ATOM 1171 OD1 ASP A 71 0.630 10.389 -6.503 1.00 0.00 O ATOM 1172 OD2 ASP A 71 0.919 12.523 -6.062 1.00 0.00 O ATOM 0 H ASP A 71 1.164 9.620 -1.782 1.00 0.00 H new ATOM 0 HA ASP A 71 2.012 9.422 -4.597 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -0.334 10.645 -3.987 1.00 0.00 H new ATOM 0 HB3 ASP A 71 0.761 11.973 -3.659 1.00 0.00 H new ATOM 1177 N LEU A 72 4.130 10.265 -3.534 1.00 0.00 N ATOM 1178 CA LEU A 72 5.376 10.896 -3.110 1.00 0.00 C ATOM 1179 C LEU A 72 5.764 12.031 -4.053 1.00 0.00 C ATOM 1180 O LEU A 72 6.407 12.997 -3.644 1.00 0.00 O ATOM 1181 CB LEU A 72 6.502 9.861 -3.047 1.00 0.00 C ATOM 1182 CG LEU A 72 6.538 9.014 -1.771 1.00 0.00 C ATOM 1183 CD1 LEU A 72 7.762 8.110 -1.762 1.00 0.00 C ATOM 1184 CD2 LEU A 72 6.520 9.905 -0.538 1.00 0.00 C ATOM 0 H LEU A 72 4.251 9.391 -4.046 1.00 0.00 H new ATOM 0 HA LEU A 72 5.220 11.314 -2.116 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.409 9.194 -3.904 1.00 0.00 H new ATOM 0 HB3 LEU A 72 7.456 10.379 -3.147 1.00 0.00 H new ATOM 0 HG LEU A 72 5.649 8.384 -1.752 1.00 0.00 H new ATOM 0 HD11 LEU A 72 7.769 7.517 -0.848 1.00 0.00 H new ATOM 0 HD12 LEU A 72 7.730 7.446 -2.626 1.00 0.00 H new ATOM 0 HD13 LEU A 72 8.665 8.719 -1.806 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.546 9.286 0.359 1.00 0.00 H new ATOM 0 HD22 LEU A 72 7.390 10.562 -0.551 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.611 10.507 -0.537 1.00 0.00 H new ATOM 1245 N GLU A 77 12.193 14.029 -2.339 1.00 0.00 N ATOM 1246 CA GLU A 77 11.501 14.696 -1.243 1.00 0.00 C ATOM 1247 C GLU A 77 10.157 14.024 -0.958 1.00 0.00 C ATOM 1248 O GLU A 77 9.265 14.023 -1.808 1.00 0.00 O ATOM 1249 CB GLU A 77 11.290 16.176 -1.574 1.00 0.00 C ATOM 1250 CG GLU A 77 12.020 17.118 -0.631 1.00 0.00 C ATOM 1251 CD GLU A 77 11.422 18.511 -0.618 1.00 0.00 C ATOM 1252 OE1 GLU A 77 10.196 18.632 -0.825 1.00 0.00 O ATOM 1253 OE2 GLU A 77 12.179 19.480 -0.403 1.00 0.00 O ATOM 0 HA GLU A 77 12.120 14.616 -0.350 1.00 0.00 H new ATOM 0 HB2 GLU A 77 11.626 16.363 -2.594 1.00 0.00 H new ATOM 0 HB3 GLU A 77 10.223 16.399 -1.543 1.00 0.00 H new ATOM 0 HG2 GLU A 77 11.995 16.707 0.378 1.00 0.00 H new ATOM 0 HG3 GLU A 77 13.068 17.179 -0.924 1.00 0.00 H new ATOM 1260 N PRO A 78 9.991 13.442 0.244 1.00 0.00 N ATOM 1261 CA PRO A 78 8.747 12.769 0.627 1.00 0.00 C ATOM 1262 C PRO A 78 7.646 13.755 1.004 1.00 0.00 C ATOM 1263 O PRO A 78 7.915 14.922 1.285 1.00 0.00 O ATOM 1264 CB PRO A 78 9.162 11.942 1.841 1.00 0.00 C ATOM 1265 CG PRO A 78 10.277 12.714 2.458 1.00 0.00 C ATOM 1266 CD PRO A 78 10.999 13.392 1.322 1.00 0.00 C ATOM 0 HA PRO A 78 8.330 12.180 -0.189 1.00 0.00 H new ATOM 0 HB2 PRO A 78 8.333 11.817 2.538 1.00 0.00 H new ATOM 0 HB3 PRO A 78 9.486 10.943 1.548 1.00 0.00 H new ATOM 0 HG2 PRO A 78 9.896 13.447 3.169 1.00 0.00 H new ATOM 0 HG3 PRO A 78 10.949 12.055 3.008 1.00 0.00 H new ATOM 0 HD2 PRO A 78 11.336 14.390 1.601 1.00 0.00 H new ATOM 0 HD3 PRO A 78 11.883 12.831 1.018 1.00 0.00 H new ATOM 1274 N ASN A 79 6.406 13.276 1.005 1.00 0.00 N ATOM 1275 CA ASN A 79 5.264 14.117 1.346 1.00 0.00 C ATOM 1276 C ASN A 79 4.977 14.066 2.844 1.00 0.00 C ATOM 1277 O ASN A 79 5.689 13.407 3.602 1.00 0.00 O ATOM 1278 CB ASN A 79 4.026 13.674 0.561 1.00 0.00 C ATOM 1279 CG ASN A 79 3.706 14.613 -0.586 1.00 0.00 C ATOM 1280 OD1 ASN A 79 3.896 14.273 -1.754 1.00 0.00 O ATOM 1281 ND2 ASN A 79 3.217 15.805 -0.258 1.00 0.00 N ATOM 0 H ASN A 79 6.167 12.312 0.774 1.00 0.00 H new ATOM 0 HA ASN A 79 5.508 15.145 1.077 1.00 0.00 H new ATOM 0 HB2 ASN A 79 4.186 12.669 0.171 1.00 0.00 H new ATOM 0 HB3 ASN A 79 3.171 13.622 1.235 1.00 0.00 H new ATOM 0 HD21 ASN A 79 2.984 16.479 -0.987 1.00 0.00 H new ATOM 0 HD22 ASN A 79 3.075 16.046 0.723 1.00 0.00 H new ATOM 1288 N GLU A 80 3.927 14.766 3.262 1.00 0.00 N ATOM 1289 CA GLU A 80 3.542 14.801 4.669 1.00 0.00 C ATOM 1290 C GLU A 80 3.176 13.407 5.170 1.00 0.00 C ATOM 1291 O GLU A 80 3.346 13.098 6.349 1.00 0.00 O ATOM 1292 CB GLU A 80 2.362 15.755 4.871 1.00 0.00 C ATOM 1293 CG GLU A 80 2.060 16.048 6.332 1.00 0.00 C ATOM 1294 CD GLU A 80 2.927 17.154 6.896 1.00 0.00 C ATOM 1295 OE1 GLU A 80 4.145 17.155 6.621 1.00 0.00 O ATOM 1296 OE2 GLU A 80 2.389 18.023 7.614 1.00 0.00 O ATOM 0 H GLU A 80 3.328 15.316 2.647 1.00 0.00 H new ATOM 0 HA GLU A 80 4.395 15.160 5.245 1.00 0.00 H new ATOM 0 HB2 GLU A 80 2.572 16.693 4.357 1.00 0.00 H new ATOM 0 HB3 GLU A 80 1.475 15.327 4.404 1.00 0.00 H new ATOM 0 HG2 GLU A 80 1.011 16.326 6.433 1.00 0.00 H new ATOM 0 HG3 GLU A 80 2.207 15.141 6.918 1.00 0.00 H new ATOM 1303 N ALA A 81 2.674 12.571 4.266 1.00 0.00 N ATOM 1304 CA ALA A 81 2.285 11.210 4.619 1.00 0.00 C ATOM 1305 C ALA A 81 3.458 10.441 5.217 1.00 0.00 C ATOM 1306 O ALA A 81 3.311 9.753 6.226 1.00 0.00 O ATOM 1307 CB ALA A 81 1.743 10.482 3.398 1.00 0.00 C ATOM 0 H ALA A 81 2.527 12.812 3.286 1.00 0.00 H new ATOM 0 HA ALA A 81 1.500 11.268 5.373 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.457 9.468 3.676 1.00 0.00 H new ATOM 0 HB2 ALA A 81 0.871 11.013 3.015 1.00 0.00 H new ATOM 0 HB3 ALA A 81 2.512 10.443 2.626 1.00 0.00 H new ATOM 1313 N TRP A 82 4.622 10.564 4.588 1.00 0.00 N ATOM 1314 CA TRP A 82 5.819 9.879 5.059 1.00 0.00 C ATOM 1315 C TRP A 82 6.185 10.333 6.467 1.00 0.00 C ATOM 1316 O TRP A 82 6.661 9.542 7.281 1.00 0.00 O ATOM 1317 CB TRP A 82 6.990 10.136 4.107 1.00 0.00 C ATOM 1318 CG TRP A 82 8.121 9.169 4.284 1.00 0.00 C ATOM 1319 CD1 TRP A 82 9.441 9.474 4.451 1.00 0.00 C ATOM 1320 CD2 TRP A 82 8.029 7.741 4.314 1.00 0.00 C ATOM 1321 NE1 TRP A 82 10.176 8.320 4.583 1.00 0.00 N ATOM 1322 CE2 TRP A 82 9.333 7.243 4.502 1.00 0.00 C ATOM 1323 CE3 TRP A 82 6.972 6.833 4.200 1.00 0.00 C ATOM 1324 CZ2 TRP A 82 9.605 5.879 4.578 1.00 0.00 C ATOM 1325 CZ3 TRP A 82 7.244 5.479 4.277 1.00 0.00 C ATOM 1326 CH2 TRP A 82 8.551 5.014 4.465 1.00 0.00 C ATOM 0 H TRP A 82 4.761 11.131 3.752 1.00 0.00 H new ATOM 0 HA TRP A 82 5.609 8.810 5.083 1.00 0.00 H new ATOM 0 HB2 TRP A 82 6.632 10.081 3.079 1.00 0.00 H new ATOM 0 HB3 TRP A 82 7.360 11.149 4.262 1.00 0.00 H new ATOM 0 HD1 TRP A 82 9.848 10.474 4.476 1.00 0.00 H new ATOM 0 HE1 TRP A 82 11.186 8.273 4.719 1.00 0.00 H new ATOM 0 HE3 TRP A 82 5.961 7.183 4.054 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 10.612 5.517 4.721 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 6.435 4.769 4.191 1.00 0.00 H new ATOM 0 HH2 TRP A 82 8.731 3.951 4.522 1.00 0.00 H new ATOM 1337 N GLU A 83 5.955 11.611 6.749 1.00 0.00 N ATOM 1338 CA GLU A 83 6.259 12.170 8.061 1.00 0.00 C ATOM 1339 C GLU A 83 5.442 11.472 9.145 1.00 0.00 C ATOM 1340 O GLU A 83 5.894 11.325 10.280 1.00 0.00 O ATOM 1341 CB GLU A 83 5.976 13.675 8.075 1.00 0.00 C ATOM 1342 CG GLU A 83 7.219 14.524 8.288 1.00 0.00 C ATOM 1343 CD GLU A 83 7.696 15.190 7.013 1.00 0.00 C ATOM 1344 OE1 GLU A 83 7.098 16.212 6.616 1.00 0.00 O ATOM 1345 OE2 GLU A 83 8.670 14.689 6.410 1.00 0.00 O ATOM 0 H GLU A 83 5.559 12.279 6.087 1.00 0.00 H new ATOM 0 HA GLU A 83 7.317 12.008 8.267 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.510 13.958 7.131 1.00 0.00 H new ATOM 0 HB3 GLU A 83 5.257 13.894 8.864 1.00 0.00 H new ATOM 0 HG2 GLU A 83 7.008 15.288 9.036 1.00 0.00 H new ATOM 0 HG3 GLU A 83 8.017 13.899 8.687 1.00 0.00 H new ATOM 1352 N VAL A 84 4.235 11.046 8.784 1.00 0.00 N ATOM 1353 CA VAL A 84 3.353 10.364 9.723 1.00 0.00 C ATOM 1354 C VAL A 84 3.619 8.862 9.733 1.00 0.00 C ATOM 1355 O VAL A 84 3.788 8.258 10.793 1.00 0.00 O ATOM 1356 CB VAL A 84 1.871 10.609 9.382 1.00 0.00 C ATOM 1357 CG1 VAL A 84 0.974 10.060 10.480 1.00 0.00 C ATOM 1358 CG2 VAL A 84 1.612 12.093 9.164 1.00 0.00 C ATOM 0 H VAL A 84 3.846 11.161 7.848 1.00 0.00 H new ATOM 0 HA VAL A 84 3.563 10.775 10.710 1.00 0.00 H new ATOM 0 HB VAL A 84 1.637 10.083 8.456 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.069 10.242 10.222 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.141 8.988 10.584 1.00 0.00 H new ATOM 0 HG13 VAL A 84 1.207 10.556 11.422 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.560 12.247 8.924 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.862 12.643 10.071 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.229 12.453 8.340 1.00 0.00 H new ATOM 1368 N VAL A 85 3.654 8.264 8.546 1.00 0.00 N ATOM 1369 CA VAL A 85 3.900 6.832 8.418 1.00 0.00 C ATOM 1370 C VAL A 85 5.225 6.442 9.067 1.00 0.00 C ATOM 1371 O VAL A 85 5.337 5.384 9.687 1.00 0.00 O ATOM 1372 CB VAL A 85 3.915 6.395 6.940 1.00 0.00 C ATOM 1373 CG1 VAL A 85 4.006 4.879 6.831 1.00 0.00 C ATOM 1374 CG2 VAL A 85 2.685 6.920 6.213 1.00 0.00 C ATOM 0 H VAL A 85 3.515 8.749 7.659 1.00 0.00 H new ATOM 0 HA VAL A 85 3.084 6.323 8.931 1.00 0.00 H new ATOM 0 HB VAL A 85 4.797 6.822 6.463 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.015 4.590 5.780 1.00 0.00 H new ATOM 0 HG12 VAL A 85 4.922 4.534 7.311 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.146 4.426 7.324 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.714 6.601 5.171 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.786 6.527 6.688 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.673 8.009 6.259 1.00 0.00 H new ATOM 1384 N ARG A 86 6.225 7.302 8.917 1.00 0.00 N ATOM 1385 CA ARG A 86 7.543 7.049 9.487 1.00 0.00 C ATOM 1386 C ARG A 86 7.521 7.186 11.008 1.00 0.00 C ATOM 1387 O ARG A 86 8.377 6.635 11.700 1.00 0.00 O ATOM 1388 CB ARG A 86 8.572 8.012 8.893 1.00 0.00 C ATOM 1389 CG ARG A 86 10.011 7.628 9.194 1.00 0.00 C ATOM 1390 CD ARG A 86 10.969 8.206 8.166 1.00 0.00 C ATOM 1391 NE ARG A 86 12.320 8.359 8.701 1.00 0.00 N ATOM 1392 CZ ARG A 86 13.377 8.690 7.963 1.00 0.00 C ATOM 1393 NH1 ARG A 86 13.243 8.904 6.659 1.00 0.00 N ATOM 1394 NH2 ARG A 86 14.570 8.809 8.528 1.00 0.00 N ATOM 0 H ARG A 86 6.149 8.181 8.405 1.00 0.00 H new ATOM 0 HA ARG A 86 7.824 6.026 9.239 1.00 0.00 H new ATOM 0 HB2 ARG A 86 8.435 8.055 7.813 1.00 0.00 H new ATOM 0 HB3 ARG A 86 8.384 9.014 9.279 1.00 0.00 H new ATOM 0 HG2 ARG A 86 10.283 7.984 10.187 1.00 0.00 H new ATOM 0 HG3 ARG A 86 10.103 6.542 9.209 1.00 0.00 H new ATOM 0 HD2 ARG A 86 10.997 7.556 7.291 1.00 0.00 H new ATOM 0 HD3 ARG A 86 10.600 9.175 7.831 1.00 0.00 H new ATOM 0 HE ARG A 86 12.461 8.203 9.699 1.00 0.00 H new ATOM 0 HH11 ARG A 86 12.327 8.815 6.219 1.00 0.00 H new ATOM 0 HH12 ARG A 86 14.056 9.157 6.098 1.00 0.00 H new ATOM 0 HH21 ARG A 86 14.679 8.647 9.529 1.00 0.00 H new ATOM 0 HH22 ARG A 86 15.380 9.063 7.962 1.00 0.00 H new ATOM 1408 N GLY A 87 6.541 7.925 11.523 1.00 0.00 N ATOM 1409 CA GLY A 87 6.437 8.117 12.958 1.00 0.00 C ATOM 1410 C GLY A 87 5.153 7.552 13.539 1.00 0.00 C ATOM 1411 O GLY A 87 4.733 7.949 14.625 1.00 0.00 O ATOM 0 H GLY A 87 5.820 8.392 10.973 1.00 0.00 H new ATOM 0 HA2 GLY A 87 7.289 7.644 13.445 1.00 0.00 H new ATOM 0 HA3 GLY A 87 6.493 9.182 13.182 1.00 0.00 H new ATOM 1415 N THR A 88 4.529 6.624 12.818 1.00 0.00 N ATOM 1416 CA THR A 88 3.289 6.010 13.280 1.00 0.00 C ATOM 1417 C THR A 88 3.579 4.791 14.156 1.00 0.00 C ATOM 1418 O THR A 88 4.550 4.070 13.926 1.00 0.00 O ATOM 1419 CB THR A 88 2.419 5.601 12.090 1.00 0.00 C ATOM 1420 OG1 THR A 88 3.212 5.387 10.937 1.00 0.00 O ATOM 1421 CG2 THR A 88 1.366 6.630 11.738 1.00 0.00 C ATOM 0 H THR A 88 4.860 6.282 11.916 1.00 0.00 H new ATOM 0 HA THR A 88 2.750 6.746 13.877 1.00 0.00 H new ATOM 0 HB THR A 88 1.919 4.683 12.400 1.00 0.00 H new ATOM 0 HG1 THR A 88 3.102 4.462 10.632 1.00 0.00 H new ATOM 0 HG21 THR A 88 0.784 6.278 10.886 1.00 0.00 H new ATOM 0 HG22 THR A 88 0.705 6.781 12.592 1.00 0.00 H new ATOM 0 HG23 THR A 88 1.850 7.573 11.483 1.00 0.00 H new ATOM 1429 N PRO A 89 2.737 4.546 15.175 1.00 0.00 N ATOM 1430 CA PRO A 89 2.911 3.408 16.085 1.00 0.00 C ATOM 1431 C PRO A 89 2.623 2.075 15.403 1.00 0.00 C ATOM 1432 O PRO A 89 1.513 1.551 15.485 1.00 0.00 O ATOM 1433 CB PRO A 89 1.886 3.676 17.189 1.00 0.00 C ATOM 1434 CG PRO A 89 0.837 4.511 16.540 1.00 0.00 C ATOM 1435 CD PRO A 89 1.552 5.355 15.522 1.00 0.00 C ATOM 0 HA PRO A 89 3.936 3.328 16.448 1.00 0.00 H new ATOM 0 HB2 PRO A 89 1.469 2.746 17.575 1.00 0.00 H new ATOM 0 HB3 PRO A 89 2.340 4.196 18.032 1.00 0.00 H new ATOM 0 HG2 PRO A 89 0.079 3.887 16.067 1.00 0.00 H new ATOM 0 HG3 PRO A 89 0.325 5.134 17.273 1.00 0.00 H new ATOM 0 HD2 PRO A 89 0.927 5.547 14.650 1.00 0.00 H new ATOM 0 HD3 PRO A 89 1.834 6.325 15.931 1.00 0.00 H new ATOM 1443 N GLY A 90 3.632 1.533 14.729 1.00 0.00 N ATOM 1444 CA GLY A 90 3.470 0.266 14.042 1.00 0.00 C ATOM 1445 C GLY A 90 4.638 -0.051 13.131 1.00 0.00 C ATOM 1446 O GLY A 90 4.989 -1.216 12.941 1.00 0.00 O ATOM 0 H GLY A 90 4.560 1.949 14.647 1.00 0.00 H new ATOM 0 HA2 GLY A 90 3.359 -0.531 14.777 1.00 0.00 H new ATOM 0 HA3 GLY A 90 2.551 0.289 13.456 1.00 0.00 H new ATOM 1450 N ILE A 91 5.243 0.988 12.566 1.00 0.00 N ATOM 1451 CA ILE A 91 6.380 0.815 11.670 1.00 0.00 C ATOM 1452 C ILE A 91 7.669 0.600 12.457 1.00 0.00 C ATOM 1453 O ILE A 91 8.050 1.428 13.284 1.00 0.00 O ATOM 1454 CB ILE A 91 6.552 2.032 10.737 1.00 0.00 C ATOM 1455 CG1 ILE A 91 5.262 2.283 9.955 1.00 0.00 C ATOM 1456 CG2 ILE A 91 7.720 1.817 9.785 1.00 0.00 C ATOM 1457 CD1 ILE A 91 4.865 1.125 9.065 1.00 0.00 C ATOM 0 H ILE A 91 4.965 1.958 12.713 1.00 0.00 H new ATOM 0 HA ILE A 91 6.177 -0.068 11.064 1.00 0.00 H new ATOM 0 HB ILE A 91 6.767 2.909 11.347 1.00 0.00 H new ATOM 0 HG12 ILE A 91 4.454 2.486 10.657 1.00 0.00 H new ATOM 0 HG13 ILE A 91 5.385 3.177 9.343 1.00 0.00 H new ATOM 0 HG21 ILE A 91 7.825 2.686 9.136 1.00 0.00 H new ATOM 0 HG22 ILE A 91 8.637 1.680 10.359 1.00 0.00 H new ATOM 0 HG23 ILE A 91 7.536 0.931 9.178 1.00 0.00 H new ATOM 0 HD11 ILE A 91 3.942 1.370 8.540 1.00 0.00 H new ATOM 0 HD12 ILE A 91 5.656 0.936 8.340 1.00 0.00 H new ATOM 0 HD13 ILE A 91 4.711 0.234 9.674 1.00 0.00 H new ATOM 1567 N ARG A 100 14.864 3.684 0.563 1.00 0.00 N ATOM 1568 CA ARG A 100 13.488 4.129 0.762 1.00 0.00 C ATOM 1569 C ARG A 100 12.497 3.017 0.411 1.00 0.00 C ATOM 1570 O ARG A 100 12.894 1.941 -0.036 1.00 0.00 O ATOM 1571 CB ARG A 100 13.213 5.374 -0.085 1.00 0.00 C ATOM 1572 CG ARG A 100 13.033 6.640 0.738 1.00 0.00 C ATOM 1573 CD ARG A 100 13.238 7.888 -0.104 1.00 0.00 C ATOM 1574 NE ARG A 100 12.897 9.103 0.632 1.00 0.00 N ATOM 1575 CZ ARG A 100 13.632 9.598 1.625 1.00 0.00 C ATOM 1576 NH1 ARG A 100 14.754 8.991 1.996 1.00 0.00 N ATOM 1577 NH2 ARG A 100 13.245 10.702 2.249 1.00 0.00 N ATOM 0 HA ARG A 100 13.356 4.379 1.815 1.00 0.00 H new ATOM 0 HB2 ARG A 100 14.038 5.518 -0.783 1.00 0.00 H new ATOM 0 HB3 ARG A 100 12.316 5.207 -0.681 1.00 0.00 H new ATOM 0 HG2 ARG A 100 12.033 6.653 1.172 1.00 0.00 H new ATOM 0 HG3 ARG A 100 13.741 6.639 1.567 1.00 0.00 H new ATOM 0 HD2 ARG A 100 14.277 7.940 -0.429 1.00 0.00 H new ATOM 0 HD3 ARG A 100 12.625 7.824 -1.003 1.00 0.00 H new ATOM 0 HE ARG A 100 12.046 9.601 0.370 1.00 0.00 H new ATOM 0 HH11 ARG A 100 15.056 8.141 1.519 1.00 0.00 H new ATOM 0 HH12 ARG A 100 15.314 9.375 2.758 1.00 0.00 H new ATOM 0 HH21 ARG A 100 12.384 11.172 1.968 1.00 0.00 H new ATOM 0 HH22 ARG A 100 13.808 11.082 3.010 1.00 0.00 H new ATOM 1591 N PRO A 101 11.188 3.261 0.612 1.00 0.00 N ATOM 1592 CA PRO A 101 10.144 2.275 0.317 1.00 0.00 C ATOM 1593 C PRO A 101 10.346 1.591 -1.032 1.00 0.00 C ATOM 1594 O PRO A 101 11.153 2.036 -1.849 1.00 0.00 O ATOM 1595 CB PRO A 101 8.868 3.116 0.310 1.00 0.00 C ATOM 1596 CG PRO A 101 9.150 4.216 1.273 1.00 0.00 C ATOM 1597 CD PRO A 101 10.619 4.517 1.144 1.00 0.00 C ATOM 0 HA PRO A 101 10.134 1.460 1.040 1.00 0.00 H new ATOM 0 HB2 PRO A 101 8.652 3.504 -0.686 1.00 0.00 H new ATOM 0 HB3 PRO A 101 8.003 2.529 0.618 1.00 0.00 H new ATOM 0 HG2 PRO A 101 8.550 5.097 1.045 1.00 0.00 H new ATOM 0 HG3 PRO A 101 8.902 3.916 2.291 1.00 0.00 H new ATOM 0 HD2 PRO A 101 10.799 5.355 0.470 1.00 0.00 H new ATOM 0 HD3 PRO A 101 11.060 4.781 2.105 1.00 0.00 H new ATOM 1605 N VAL A 102 9.613 0.504 -1.256 1.00 0.00 N ATOM 1606 CA VAL A 102 9.718 -0.243 -2.502 1.00 0.00 C ATOM 1607 C VAL A 102 8.374 -0.312 -3.229 1.00 0.00 C ATOM 1608 O VAL A 102 7.441 -0.967 -2.761 1.00 0.00 O ATOM 1609 CB VAL A 102 10.222 -1.678 -2.253 1.00 0.00 C ATOM 1610 CG1 VAL A 102 11.709 -1.672 -1.933 1.00 0.00 C ATOM 1611 CG2 VAL A 102 9.429 -2.337 -1.136 1.00 0.00 C ATOM 0 H VAL A 102 8.941 0.122 -0.590 1.00 0.00 H new ATOM 0 HA VAL A 102 10.436 0.290 -3.125 1.00 0.00 H new ATOM 0 HB VAL A 102 10.072 -2.260 -3.162 1.00 0.00 H new ATOM 0 HG11 VAL A 102 12.048 -2.693 -1.760 1.00 0.00 H new ATOM 0 HG12 VAL A 102 12.260 -1.244 -2.771 1.00 0.00 H new ATOM 0 HG13 VAL A 102 11.886 -1.074 -1.039 1.00 0.00 H new ATOM 0 HG21 VAL A 102 9.800 -3.349 -0.975 1.00 0.00 H new ATOM 0 HG22 VAL A 102 9.543 -1.759 -0.219 1.00 0.00 H new ATOM 0 HG23 VAL A 102 8.375 -2.376 -1.412 1.00 0.00 H new ATOM 1621 N PRO A 103 8.256 0.365 -4.387 1.00 0.00 N ATOM 1622 CA PRO A 103 7.025 0.373 -5.173 1.00 0.00 C ATOM 1623 C PRO A 103 6.929 -0.829 -6.108 1.00 0.00 C ATOM 1624 O PRO A 103 7.940 -1.304 -6.629 1.00 0.00 O ATOM 1625 CB PRO A 103 7.153 1.665 -5.974 1.00 0.00 C ATOM 1626 CG PRO A 103 8.620 1.816 -6.203 1.00 0.00 C ATOM 1627 CD PRO A 103 9.312 1.177 -5.022 1.00 0.00 C ATOM 0 HA PRO A 103 6.131 0.317 -4.552 1.00 0.00 H new ATOM 0 HB2 PRO A 103 6.608 1.604 -6.916 1.00 0.00 H new ATOM 0 HB3 PRO A 103 6.747 2.515 -5.425 1.00 0.00 H new ATOM 0 HG2 PRO A 103 8.918 1.333 -7.134 1.00 0.00 H new ATOM 0 HG3 PRO A 103 8.892 2.868 -6.288 1.00 0.00 H new ATOM 0 HD2 PRO A 103 10.154 0.561 -5.338 1.00 0.00 H new ATOM 0 HD3 PRO A 103 9.706 1.927 -4.336 1.00 0.00 H new ATOM 1635 N LEU A 104 5.712 -1.319 -6.318 1.00 0.00 N ATOM 1636 CA LEU A 104 5.493 -2.467 -7.192 1.00 0.00 C ATOM 1637 C LEU A 104 5.318 -2.025 -8.642 1.00 0.00 C ATOM 1638 O LEU A 104 5.208 -0.834 -8.930 1.00 0.00 O ATOM 1639 CB LEU A 104 4.260 -3.257 -6.740 1.00 0.00 C ATOM 1640 CG LEU A 104 4.175 -3.566 -5.240 1.00 0.00 C ATOM 1641 CD1 LEU A 104 5.559 -3.623 -4.608 1.00 0.00 C ATOM 1642 CD2 LEU A 104 3.306 -2.534 -4.538 1.00 0.00 C ATOM 0 H LEU A 104 4.864 -0.941 -5.896 1.00 0.00 H new ATOM 0 HA LEU A 104 6.372 -3.108 -7.128 1.00 0.00 H new ATOM 0 HB2 LEU A 104 3.369 -2.698 -7.027 1.00 0.00 H new ATOM 0 HB3 LEU A 104 4.236 -4.199 -7.287 1.00 0.00 H new ATOM 0 HG LEU A 104 3.717 -4.548 -5.122 1.00 0.00 H new ATOM 0 HD11 LEU A 104 5.465 -3.844 -3.545 1.00 0.00 H new ATOM 0 HD12 LEU A 104 6.147 -4.404 -5.090 1.00 0.00 H new ATOM 0 HD13 LEU A 104 6.057 -2.662 -4.736 1.00 0.00 H new ATOM 0 HD21 LEU A 104 3.254 -2.765 -3.474 1.00 0.00 H new ATOM 0 HD22 LEU A 104 3.738 -1.542 -4.673 1.00 0.00 H new ATOM 0 HD23 LEU A 104 2.302 -2.554 -4.963 1.00 0.00 H new ATOM 1654 N SER A 105 5.291 -2.995 -9.551 1.00 0.00 N ATOM 1655 CA SER A 105 5.127 -2.709 -10.972 1.00 0.00 C ATOM 1656 C SER A 105 3.649 -2.700 -11.356 1.00 0.00 C ATOM 1657 O SER A 105 2.832 -3.370 -10.725 1.00 0.00 O ATOM 1658 CB SER A 105 5.878 -3.743 -11.813 1.00 0.00 C ATOM 1659 OG SER A 105 5.140 -4.950 -11.919 1.00 0.00 O ATOM 0 H SER A 105 5.381 -3.986 -9.328 1.00 0.00 H new ATOM 0 HA SER A 105 5.543 -1.721 -11.169 1.00 0.00 H new ATOM 0 HB2 SER A 105 6.066 -3.340 -12.808 1.00 0.00 H new ATOM 0 HB3 SER A 105 6.850 -3.946 -11.363 1.00 0.00 H new ATOM 0 HG SER A 105 5.641 -5.593 -12.463 1.00 0.00 H new ATOM 1665 N PRO A 106 3.284 -1.940 -12.402 1.00 0.00 N ATOM 1666 CA PRO A 106 1.896 -1.846 -12.868 1.00 0.00 C ATOM 1667 C PRO A 106 1.287 -3.212 -13.162 1.00 0.00 C ATOM 1668 O PRO A 106 0.086 -3.418 -12.982 1.00 0.00 O ATOM 1669 CB PRO A 106 1.995 -1.012 -14.157 1.00 0.00 C ATOM 1670 CG PRO A 106 3.445 -0.992 -14.510 1.00 0.00 C ATOM 1671 CD PRO A 106 4.188 -1.114 -13.214 1.00 0.00 C ATOM 0 HA PRO A 106 1.248 -1.403 -12.112 1.00 0.00 H new ATOM 0 HB2 PRO A 106 1.403 -1.455 -14.957 1.00 0.00 H new ATOM 0 HB3 PRO A 106 1.615 -0.002 -14.001 1.00 0.00 H new ATOM 0 HG2 PRO A 106 3.694 -1.814 -15.181 1.00 0.00 H new ATOM 0 HG3 PRO A 106 3.708 -0.068 -15.025 1.00 0.00 H new ATOM 0 HD2 PRO A 106 5.160 -1.588 -13.347 1.00 0.00 H new ATOM 0 HD3 PRO A 106 4.368 -0.141 -12.757 1.00 0.00 H new ATOM 1679 N ASP A 107 2.118 -4.145 -13.615 1.00 0.00 N ATOM 1680 CA ASP A 107 1.655 -5.491 -13.933 1.00 0.00 C ATOM 1681 C ASP A 107 1.402 -6.296 -12.663 1.00 0.00 C ATOM 1682 O ASP A 107 0.416 -7.027 -12.566 1.00 0.00 O ATOM 1683 CB ASP A 107 2.678 -6.210 -14.813 1.00 0.00 C ATOM 1684 CG ASP A 107 2.024 -7.049 -15.893 1.00 0.00 C ATOM 1685 OD1 ASP A 107 1.510 -6.465 -16.869 1.00 0.00 O ATOM 1686 OD2 ASP A 107 2.026 -8.292 -15.761 1.00 0.00 O ATOM 0 H ASP A 107 3.115 -3.994 -13.770 1.00 0.00 H new ATOM 0 HA ASP A 107 0.715 -5.405 -14.478 1.00 0.00 H new ATOM 0 HB2 ASP A 107 3.335 -5.474 -15.277 1.00 0.00 H new ATOM 0 HB3 ASP A 107 3.304 -6.849 -14.190 1.00 0.00 H new ATOM 1691 N GLU A 108 2.297 -6.158 -11.691 1.00 0.00 N ATOM 1692 CA GLU A 108 2.169 -6.875 -10.427 1.00 0.00 C ATOM 1693 C GLU A 108 1.151 -6.195 -9.515 1.00 0.00 C ATOM 1694 O GLU A 108 0.491 -6.850 -8.709 1.00 0.00 O ATOM 1695 CB GLU A 108 3.525 -6.954 -9.723 1.00 0.00 C ATOM 1696 CG GLU A 108 3.532 -7.878 -8.515 1.00 0.00 C ATOM 1697 CD GLU A 108 4.090 -9.250 -8.833 1.00 0.00 C ATOM 1698 OE1 GLU A 108 3.358 -10.065 -9.435 1.00 0.00 O ATOM 1699 OE2 GLU A 108 5.259 -9.512 -8.481 1.00 0.00 O ATOM 0 H GLU A 108 3.119 -5.557 -11.754 1.00 0.00 H new ATOM 0 HA GLU A 108 1.819 -7.884 -10.645 1.00 0.00 H new ATOM 0 HB2 GLU A 108 4.275 -7.296 -10.436 1.00 0.00 H new ATOM 0 HB3 GLU A 108 3.819 -5.953 -9.406 1.00 0.00 H new ATOM 0 HG2 GLU A 108 4.123 -7.425 -7.719 1.00 0.00 H new ATOM 0 HG3 GLU A 108 2.515 -7.982 -8.136 1.00 0.00 H new ATOM 1706 N VAL A 109 1.030 -4.878 -9.650 1.00 0.00 N ATOM 1707 CA VAL A 109 0.094 -4.109 -8.838 1.00 0.00 C ATOM 1708 C VAL A 109 -1.347 -4.535 -9.104 1.00 0.00 C ATOM 1709 O VAL A 109 -2.141 -4.672 -8.175 1.00 0.00 O ATOM 1710 CB VAL A 109 0.242 -2.594 -9.102 1.00 0.00 C ATOM 1711 CG1 VAL A 109 -0.866 -1.807 -8.419 1.00 0.00 C ATOM 1712 CG2 VAL A 109 1.605 -2.105 -8.642 1.00 0.00 C ATOM 0 H VAL A 109 1.568 -4.321 -10.314 1.00 0.00 H new ATOM 0 HA VAL A 109 0.333 -4.311 -7.794 1.00 0.00 H new ATOM 0 HB VAL A 109 0.157 -2.429 -10.176 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -0.736 -0.744 -8.622 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -1.833 -2.134 -8.801 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -0.824 -1.978 -7.343 1.00 0.00 H new ATOM 0 HG21 VAL A 109 1.692 -1.036 -8.835 1.00 0.00 H new ATOM 0 HG22 VAL A 109 1.717 -2.291 -7.574 1.00 0.00 H new ATOM 0 HG23 VAL A 109 2.385 -2.637 -9.186 1.00 0.00 H new ATOM 1722 N ARG A 110 -1.678 -4.742 -10.373 1.00 0.00 N ATOM 1723 CA ARG A 110 -3.026 -5.148 -10.749 1.00 0.00 C ATOM 1724 C ARG A 110 -3.395 -6.484 -10.113 1.00 0.00 C ATOM 1725 O ARG A 110 -4.542 -6.697 -9.718 1.00 0.00 O ATOM 1726 CB ARG A 110 -3.148 -5.240 -12.273 1.00 0.00 C ATOM 1727 CG ARG A 110 -4.583 -5.194 -12.774 1.00 0.00 C ATOM 1728 CD ARG A 110 -4.828 -6.221 -13.869 1.00 0.00 C ATOM 1729 NE ARG A 110 -4.716 -5.637 -15.205 1.00 0.00 N ATOM 1730 CZ ARG A 110 -5.222 -6.196 -16.303 1.00 0.00 C ATOM 1731 NH1 ARG A 110 -5.869 -7.351 -16.230 1.00 0.00 N ATOM 1732 NH2 ARG A 110 -5.078 -5.596 -17.478 1.00 0.00 N ATOM 0 H ARG A 110 -1.034 -4.636 -11.156 1.00 0.00 H new ATOM 0 HA ARG A 110 -3.720 -4.392 -10.381 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -2.588 -4.420 -12.724 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -2.684 -6.167 -12.611 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -5.265 -5.377 -11.944 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -4.804 -4.197 -13.154 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -4.111 -7.036 -13.769 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -5.821 -6.653 -13.745 1.00 0.00 H new ATOM 0 HE ARG A 110 -4.222 -4.750 -15.302 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -5.982 -7.816 -15.329 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -6.254 -7.774 -17.074 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -4.580 -4.708 -17.539 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -5.465 -6.023 -18.320 1.00 0.00 H new ATOM 1746 N HIS A 111 -2.422 -7.382 -10.019 1.00 0.00 N ATOM 1747 CA HIS A 111 -2.659 -8.692 -9.428 1.00 0.00 C ATOM 1748 C HIS A 111 -2.824 -8.584 -7.921 1.00 0.00 C ATOM 1749 O HIS A 111 -3.788 -9.103 -7.356 1.00 0.00 O ATOM 1750 CB HIS A 111 -1.514 -9.651 -9.769 1.00 0.00 C ATOM 1751 CG HIS A 111 -1.982 -10.989 -10.250 1.00 0.00 C ATOM 1752 ND1 HIS A 111 -2.730 -11.157 -11.395 1.00 0.00 N ATOM 1753 CD2 HIS A 111 -1.803 -12.229 -9.733 1.00 0.00 C ATOM 1754 CE1 HIS A 111 -2.993 -12.441 -11.562 1.00 0.00 C ATOM 1755 NE2 HIS A 111 -2.442 -13.112 -10.568 1.00 0.00 N ATOM 0 H HIS A 111 -1.467 -7.228 -10.342 1.00 0.00 H new ATOM 0 HA HIS A 111 -3.584 -9.089 -9.847 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -0.886 -9.197 -10.535 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -0.890 -9.789 -8.886 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -1.260 -12.476 -8.833 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -3.562 -12.869 -12.374 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -2.484 -14.123 -10.441 1.00 0.00 H new ATOM 1764 N ILE A 112 -1.892 -7.899 -7.266 1.00 0.00 N ATOM 1765 CA ILE A 112 -1.971 -7.730 -5.825 1.00 0.00 C ATOM 1766 C ILE A 112 -3.163 -6.854 -5.455 1.00 0.00 C ATOM 1767 O ILE A 112 -3.599 -6.844 -4.306 1.00 0.00 O ATOM 1768 CB ILE A 112 -0.671 -7.137 -5.239 1.00 0.00 C ATOM 1769 CG1 ILE A 112 -0.432 -5.714 -5.764 1.00 0.00 C ATOM 1770 CG2 ILE A 112 0.504 -8.048 -5.568 1.00 0.00 C ATOM 1771 CD1 ILE A 112 1.003 -5.242 -5.627 1.00 0.00 C ATOM 0 H ILE A 112 -1.084 -7.458 -7.706 1.00 0.00 H new ATOM 0 HA ILE A 112 -2.106 -8.720 -5.390 1.00 0.00 H new ATOM 0 HB ILE A 112 -0.770 -7.073 -4.155 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -0.719 -5.672 -6.815 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -1.084 -5.025 -5.227 1.00 0.00 H new ATOM 0 HG21 ILE A 112 1.419 -7.626 -5.153 1.00 0.00 H new ATOM 0 HG22 ILE A 112 0.331 -9.034 -5.137 1.00 0.00 H new ATOM 0 HG23 ILE A 112 0.604 -8.137 -6.650 1.00 0.00 H new ATOM 0 HD11 ILE A 112 1.092 -4.229 -6.019 1.00 0.00 H new ATOM 0 HD12 ILE A 112 1.290 -5.250 -4.575 1.00 0.00 H new ATOM 0 HD13 ILE A 112 1.660 -5.907 -6.188 1.00 0.00 H new ATOM 1783 N LEU A 113 -3.703 -6.133 -6.443 1.00 0.00 N ATOM 1784 CA LEU A 113 -4.859 -5.273 -6.217 1.00 0.00 C ATOM 1785 C LEU A 113 -6.110 -6.111 -5.977 1.00 0.00 C ATOM 1786 O LEU A 113 -7.000 -5.715 -5.224 1.00 0.00 O ATOM 1787 CB LEU A 113 -5.077 -4.346 -7.417 1.00 0.00 C ATOM 1788 CG LEU A 113 -5.025 -2.852 -7.098 1.00 0.00 C ATOM 1789 CD1 LEU A 113 -3.636 -2.451 -6.631 1.00 0.00 C ATOM 1790 CD2 LEU A 113 -5.438 -2.035 -8.314 1.00 0.00 C ATOM 0 H LEU A 113 -3.356 -6.131 -7.402 1.00 0.00 H new ATOM 0 HA LEU A 113 -4.666 -4.667 -5.332 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -4.321 -4.568 -8.170 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -6.046 -4.574 -7.861 1.00 0.00 H new ATOM 0 HG LEU A 113 -5.728 -2.648 -6.290 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -3.621 -1.384 -6.409 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -3.378 -3.012 -5.733 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -2.911 -2.669 -7.416 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -5.396 -0.973 -8.071 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -4.760 -2.245 -9.141 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -6.455 -2.301 -8.603 1.00 0.00 H new ATOM 1802 N GLU A 114 -6.173 -7.273 -6.624 1.00 0.00 N ATOM 1803 CA GLU A 114 -7.321 -8.164 -6.480 1.00 0.00 C ATOM 1804 C GLU A 114 -7.390 -8.767 -5.075 1.00 0.00 C ATOM 1805 O GLU A 114 -8.389 -9.388 -4.711 1.00 0.00 O ATOM 1806 CB GLU A 114 -7.256 -9.282 -7.521 1.00 0.00 C ATOM 1807 CG GLU A 114 -8.583 -9.992 -7.731 1.00 0.00 C ATOM 1808 CD GLU A 114 -8.432 -11.500 -7.817 1.00 0.00 C ATOM 1809 OE1 GLU A 114 -7.692 -12.068 -6.986 1.00 0.00 O ATOM 1810 OE2 GLU A 114 -9.050 -12.109 -8.714 1.00 0.00 O ATOM 0 H GLU A 114 -5.446 -7.618 -7.250 1.00 0.00 H new ATOM 0 HA GLU A 114 -8.222 -7.572 -6.639 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -6.922 -8.864 -8.471 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -6.507 -10.012 -7.213 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -9.257 -9.744 -6.911 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -9.047 -9.624 -8.646 1.00 0.00 H new ATOM 1817 N VAL A 115 -6.327 -8.589 -4.294 1.00 0.00 N ATOM 1818 CA VAL A 115 -6.279 -9.125 -2.939 1.00 0.00 C ATOM 1819 C VAL A 115 -7.128 -8.295 -1.978 1.00 0.00 C ATOM 1820 O VAL A 115 -7.926 -8.839 -1.215 1.00 0.00 O ATOM 1821 CB VAL A 115 -4.832 -9.182 -2.414 1.00 0.00 C ATOM 1822 CG1 VAL A 115 -4.782 -9.851 -1.050 1.00 0.00 C ATOM 1823 CG2 VAL A 115 -3.937 -9.906 -3.408 1.00 0.00 C ATOM 0 H VAL A 115 -5.490 -8.079 -4.577 1.00 0.00 H new ATOM 0 HA VAL A 115 -6.684 -10.136 -2.986 1.00 0.00 H new ATOM 0 HB VAL A 115 -4.463 -8.162 -2.301 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -3.751 -9.881 -0.697 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -5.391 -9.285 -0.345 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -5.168 -10.867 -1.129 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -2.918 -9.938 -3.023 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -4.302 -10.923 -3.553 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -3.949 -9.377 -4.361 1.00 0.00 H new ATOM 1833 N SER A 116 -6.949 -6.980 -2.020 1.00 0.00 N ATOM 1834 CA SER A 116 -7.700 -6.082 -1.151 1.00 0.00 C ATOM 1835 C SER A 116 -9.184 -6.111 -1.501 1.00 0.00 C ATOM 1836 O SER A 116 -10.029 -6.395 -0.654 1.00 0.00 O ATOM 1837 CB SER A 116 -7.169 -4.653 -1.270 1.00 0.00 C ATOM 1838 OG SER A 116 -8.127 -3.709 -0.826 1.00 0.00 O ATOM 0 H SER A 116 -6.292 -6.513 -2.645 1.00 0.00 H new ATOM 0 HA SER A 116 -7.574 -6.423 -0.123 1.00 0.00 H new ATOM 0 HB2 SER A 116 -6.256 -4.552 -0.683 1.00 0.00 H new ATOM 0 HB3 SER A 116 -6.905 -4.446 -2.307 1.00 0.00 H new ATOM 0 HG SER A 116 -7.759 -2.805 -0.912 1.00 0.00 H new ATOM 1844 N GLY A 117 -9.485 -5.815 -2.759 1.00 0.00 N ATOM 1845 CA GLY A 117 -10.865 -5.811 -3.210 1.00 0.00 C ATOM 1846 C GLY A 117 -11.146 -4.703 -4.207 1.00 0.00 C ATOM 1847 O GLY A 117 -12.181 -4.041 -4.133 1.00 0.00 O ATOM 0 H GLY A 117 -8.799 -5.578 -3.476 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -11.098 -6.773 -3.666 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -11.525 -5.698 -2.350 1.00 0.00 H new ATOM 1851 N LEU A 118 -10.224 -4.503 -5.145 1.00 0.00 N ATOM 1852 CA LEU A 118 -10.380 -3.470 -6.162 1.00 0.00 C ATOM 1853 C LEU A 118 -10.663 -4.092 -7.526 1.00 0.00 C ATOM 1854 O LEU A 118 -11.315 -3.482 -8.373 1.00 0.00 O ATOM 1855 CB LEU A 118 -9.124 -2.595 -6.237 1.00 0.00 C ATOM 1856 CG LEU A 118 -8.368 -2.409 -4.917 1.00 0.00 C ATOM 1857 CD1 LEU A 118 -7.350 -1.286 -5.042 1.00 0.00 C ATOM 1858 CD2 LEU A 118 -9.336 -2.124 -3.776 1.00 0.00 C ATOM 0 H LEU A 118 -9.362 -5.043 -5.221 1.00 0.00 H new ATOM 0 HA LEU A 118 -11.228 -2.846 -5.881 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -8.442 -3.031 -6.967 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -9.409 -1.613 -6.614 1.00 0.00 H new ATOM 0 HG LEU A 118 -7.839 -3.335 -4.693 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -6.822 -1.167 -4.096 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -6.635 -1.529 -5.829 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -7.862 -0.357 -5.291 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -8.778 -1.995 -2.849 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -9.895 -1.214 -3.992 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -10.029 -2.959 -3.670 1.00 0.00 H new ATOM 1870 N LEU A 119 -10.170 -5.310 -7.728 1.00 0.00 N ATOM 1871 CA LEU A 119 -10.371 -6.017 -8.988 1.00 0.00 C ATOM 1872 C LEU A 119 -11.353 -7.171 -8.809 1.00 0.00 C ATOM 1873 O LEU A 119 -12.087 -7.521 -9.733 1.00 0.00 O ATOM 1874 CB LEU A 119 -9.034 -6.541 -9.518 1.00 0.00 C ATOM 1875 CG LEU A 119 -8.450 -5.753 -10.691 1.00 0.00 C ATOM 1876 CD1 LEU A 119 -7.554 -4.632 -10.189 1.00 0.00 C ATOM 1877 CD2 LEU A 119 -7.679 -6.677 -11.622 1.00 0.00 C ATOM 0 H LEU A 119 -9.629 -5.828 -7.036 1.00 0.00 H new ATOM 0 HA LEU A 119 -10.790 -5.317 -9.711 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -8.311 -6.538 -8.702 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -9.164 -7.579 -9.826 1.00 0.00 H new ATOM 0 HG LEU A 119 -9.273 -5.309 -11.251 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -7.148 -4.083 -11.038 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -8.135 -3.955 -9.563 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -6.736 -5.054 -9.605 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -7.270 -6.100 -12.451 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -6.865 -7.150 -11.073 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -8.349 -7.444 -12.010 1.00 0.00 H new ATOM 1889 N GLY A 120 -11.360 -7.756 -7.616 1.00 0.00 N ATOM 1890 CA GLY A 120 -12.255 -8.865 -7.339 1.00 0.00 C ATOM 1891 C GLY A 120 -11.863 -9.626 -6.087 1.00 0.00 C ATOM 1892 O GLY A 120 -11.943 -10.873 -6.102 1.00 0.00 O ATOM 1893 OXT GLY A 120 -11.474 -8.976 -5.095 1.00 0.00 O ATOM 0 H GLY A 120 -10.762 -7.482 -6.836 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -13.272 -8.489 -7.229 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -12.258 -9.547 -8.189 1.00 0.00 H new