USER MOD reduce.3.24.130724 H: found=0, std=0, add=956, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 954 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: B 41 TYR OH : rot 36:sc= 0.242 USER MOD Set 1.2: B 74 HIS : no HE2:sc= 0.314 K(o=0.56,f=-5!) USER MOD Set 2.1: A 24 MET CE :methyl 160:sc=-0.00917 (180deg=-0.419) USER MOD Set 2.2: A 27 TYR OH : rot -172:sc= 0.163 USER MOD Set 2.3: A 60 HIS : no HE2:sc= 0.786 K(o=0.94,f=-4.6!) USER MOD Set 3.1: A 51 LYS NZ :NH3+ 180:sc= 1.26 (180deg=0) USER MOD Set 3.2: A 61 GLN : amide:sc= 0.113! C(o=1.4!,f=-12!) USER MOD Set 4.1: A 14 THR OG1 : rot -60:sc= 1.65 USER MOD Set 4.2: A 16 SER OG : rot 61:sc= 0.694 USER MOD Single : A 21 SER OG : rot 70:sc= 0.883 USER MOD Single : A 23 LYS NZ :NH3+ -168:sc= 2.21 (180deg=2) USER MOD Single : A 25 GLN : amide:sc= -0.0652 K(o=-0.065,f=-1.2!) USER MOD Single : A 26 GLN : amide:sc= 0.85 K(o=0.85,f=-6.9!) USER MOD Single : A 28 THR OG1 : rot 94:sc= 0.863 USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=-0.088) USER MOD Single : A 32 MET CE :methyl 165:sc= -0.871 (180deg=-1.16) USER MOD Single : A 36 TYR OH : rot -159:sc= 1.18 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.115 USER MOD Single : A 41 LYS NZ :NH3+ 175:sc= 1.21 (180deg=1.13) USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 45 MET CE :methyl -130:sc= -1.94 (180deg=-2.43) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.0239 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 141:sc= 1.88 (180deg=0.819!) USER MOD Single : A 66 TYR OH : rot 86:sc= 0.0731 USER MOD Single : A 67 SER OG : rot -130:sc= -0.344 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -0.677 K(o=-0.68,f=-4.5!) USER MOD Single : A 76 ASN : amide:sc= 1.25 K(o=1.3,f=-0.09) USER MOD Single : A 77 THR OG1 : rot 61:sc= 0.973 USER MOD Single : B 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 30 SER OG : rot -76:sc= 1.11 USER MOD Single : B 47 HIS : no HD1:sc= 0 K(o=0,f=-1.7!) USER MOD Single : B 48 ASN :FLIP amide:sc= -1.94! C(o=-2.8!,f=-1.9!) USER MOD Single : B 57 SER OG : rot 53:sc= 0.151 USER MOD Single : B 60 THR OG1 : rot -81:sc= 1.53 USER MOD Single : B 70 GLN : amide:sc= 1.02 K(o=1,f=-0.0032) USER MOD Single : B 75 LYS NZ :NH3+ 166:sc= 1.25 (180deg=1.16) USER MOD Single : B 81 THR OG1 : rot 77:sc= -0.0239 USER MOD Single : B 83 GLN : amide:sc= -0.0287 K(o=-0.029,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 14 -15.158 -6.726 8.722 1.00 0.00 N ATOM 2 CA THR A 14 -15.648 -5.333 8.636 1.00 0.00 C ATOM 3 C THR A 14 -14.731 -4.490 7.757 1.00 0.00 C ATOM 4 O THR A 14 -13.632 -4.917 7.400 1.00 0.00 O ATOM 5 CB THR A 14 -15.735 -4.676 10.031 1.00 0.00 C ATOM 6 OG1 THR A 14 -14.449 -4.687 10.667 1.00 0.00 O ATOM 7 CG2 THR A 14 -16.750 -5.388 10.913 1.00 0.00 C ATOM 0 HA THR A 14 -16.645 -5.375 8.198 1.00 0.00 H new ATOM 0 HB THR A 14 -16.062 -3.645 9.894 1.00 0.00 H new ATOM 0 HG1 THR A 14 -14.143 -5.612 10.771 1.00 0.00 H new ATOM 0 HG21 THR A 14 -16.789 -4.903 11.888 1.00 0.00 H new ATOM 0 HG22 THR A 14 -17.734 -5.342 10.446 1.00 0.00 H new ATOM 0 HG23 THR A 14 -16.456 -6.430 11.038 1.00 0.00 H new ATOM 15 N VAL A 15 -15.198 -3.295 7.408 1.00 0.00 N ATOM 16 CA VAL A 15 -14.426 -2.375 6.578 1.00 0.00 C ATOM 17 C VAL A 15 -13.137 -1.962 7.287 1.00 0.00 C ATOM 18 O VAL A 15 -12.095 -1.799 6.656 1.00 0.00 O ATOM 19 CB VAL A 15 -15.250 -1.125 6.209 1.00 0.00 C ATOM 20 CG1 VAL A 15 -14.419 -0.135 5.406 1.00 0.00 C ATOM 21 CG2 VAL A 15 -16.488 -1.531 5.430 1.00 0.00 C ATOM 0 H VAL A 15 -16.112 -2.939 7.689 1.00 0.00 H new ATOM 0 HA VAL A 15 -14.171 -2.899 5.657 1.00 0.00 H new ATOM 0 HB VAL A 15 -15.555 -0.633 7.132 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -15.027 0.736 5.161 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -13.557 0.179 5.995 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -14.077 -0.609 4.486 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -17.064 -0.642 5.173 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -16.190 -2.047 4.517 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -17.099 -2.196 6.040 1.00 0.00 H new ATOM 31 N SER A 16 -13.214 -1.822 8.605 1.00 0.00 N ATOM 32 CA SER A 16 -12.058 -1.444 9.402 1.00 0.00 C ATOM 33 C SER A 16 -10.960 -2.493 9.269 1.00 0.00 C ATOM 34 O SER A 16 -9.796 -2.164 9.048 1.00 0.00 O ATOM 35 CB SER A 16 -12.478 -1.289 10.863 1.00 0.00 C ATOM 36 OG SER A 16 -13.744 -1.897 11.086 1.00 0.00 O ATOM 0 H SER A 16 -14.068 -1.965 9.144 1.00 0.00 H new ATOM 0 HA SER A 16 -11.665 -0.493 9.042 1.00 0.00 H new ATOM 0 HB2 SER A 16 -11.730 -1.744 11.512 1.00 0.00 H new ATOM 0 HB3 SER A 16 -12.525 -0.232 11.123 1.00 0.00 H new ATOM 0 HG SER A 16 -13.686 -2.855 10.890 1.00 0.00 H new ATOM 42 N GLU A 17 -11.356 -3.760 9.367 1.00 0.00 N ATOM 43 CA GLU A 17 -10.424 -4.875 9.249 1.00 0.00 C ATOM 44 C GLU A 17 -9.805 -4.912 7.859 1.00 0.00 C ATOM 45 O GLU A 17 -8.650 -5.287 7.687 1.00 0.00 O ATOM 46 CB GLU A 17 -11.143 -6.194 9.519 1.00 0.00 C ATOM 47 CG GLU A 17 -11.547 -6.389 10.969 1.00 0.00 C ATOM 48 CD GLU A 17 -12.590 -7.473 11.130 1.00 0.00 C ATOM 49 OE1 GLU A 17 -13.782 -7.179 10.916 1.00 0.00 O ATOM 50 OE2 GLU A 17 -12.224 -8.618 11.468 1.00 0.00 O ATOM 0 H GLU A 17 -12.323 -4.040 9.529 1.00 0.00 H new ATOM 0 HA GLU A 17 -9.633 -4.736 9.986 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -12.034 -6.245 8.894 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -10.495 -7.018 9.219 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.666 -6.644 11.559 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -11.936 -5.451 11.366 1.00 0.00 H new ATOM 57 N TRP A 18 -10.582 -4.518 6.870 1.00 0.00 N ATOM 58 CA TRP A 18 -10.117 -4.504 5.496 1.00 0.00 C ATOM 59 C TRP A 18 -9.103 -3.380 5.273 1.00 0.00 C ATOM 60 O TRP A 18 -8.061 -3.585 4.654 1.00 0.00 O ATOM 61 CB TRP A 18 -11.312 -4.354 4.548 1.00 0.00 C ATOM 62 CG TRP A 18 -10.932 -4.246 3.104 1.00 0.00 C ATOM 63 CD1 TRP A 18 -10.522 -5.257 2.287 1.00 0.00 C ATOM 64 CD2 TRP A 18 -10.931 -3.057 2.309 1.00 0.00 C ATOM 65 NE1 TRP A 18 -10.264 -4.770 1.030 1.00 0.00 N ATOM 66 CE2 TRP A 18 -10.504 -3.419 1.020 1.00 0.00 C ATOM 67 CE3 TRP A 18 -11.247 -1.722 2.564 1.00 0.00 C ATOM 68 CZ2 TRP A 18 -10.386 -2.492 -0.012 1.00 0.00 C ATOM 69 CZ3 TRP A 18 -11.130 -0.802 1.540 1.00 0.00 C ATOM 70 CH2 TRP A 18 -10.702 -1.190 0.266 1.00 0.00 C ATOM 0 H TRP A 18 -11.544 -4.201 6.993 1.00 0.00 H new ATOM 0 HA TRP A 18 -9.615 -5.448 5.286 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -11.974 -5.210 4.676 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -11.879 -3.467 4.832 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -10.416 -6.290 2.585 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -9.946 -5.322 0.233 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -11.577 -1.413 3.545 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -10.057 -2.790 -0.997 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -11.373 0.234 1.726 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -10.619 -0.447 -0.514 1.00 0.00 H new ATOM 81 N LEU A 19 -9.402 -2.205 5.806 1.00 0.00 N ATOM 82 CA LEU A 19 -8.527 -1.052 5.647 1.00 0.00 C ATOM 83 C LEU A 19 -7.229 -1.199 6.442 1.00 0.00 C ATOM 84 O LEU A 19 -6.180 -0.704 6.016 1.00 0.00 O ATOM 85 CB LEU A 19 -9.260 0.232 6.040 1.00 0.00 C ATOM 86 CG LEU A 19 -10.056 0.884 4.906 1.00 0.00 C ATOM 87 CD1 LEU A 19 -11.023 1.927 5.442 1.00 0.00 C ATOM 88 CD2 LEU A 19 -9.113 1.504 3.887 1.00 0.00 C ATOM 0 H LEU A 19 -10.244 -2.024 6.353 1.00 0.00 H new ATOM 0 HA LEU A 19 -8.252 -0.994 4.594 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -9.940 0.009 6.862 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -8.531 0.951 6.415 1.00 0.00 H new ATOM 0 HG LEU A 19 -10.642 0.107 4.414 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -11.574 2.372 4.613 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -11.723 1.454 6.131 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -10.466 2.704 5.967 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -9.693 1.964 3.087 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -8.500 2.263 4.373 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -8.469 0.730 3.470 1.00 0.00 H new ATOM 100 N GLU A 20 -7.284 -1.877 7.587 1.00 0.00 N ATOM 101 CA GLU A 20 -6.086 -2.059 8.403 1.00 0.00 C ATOM 102 C GLU A 20 -5.112 -3.028 7.737 1.00 0.00 C ATOM 103 O GLU A 20 -3.901 -2.914 7.931 1.00 0.00 O ATOM 104 CB GLU A 20 -6.431 -2.515 9.830 1.00 0.00 C ATOM 105 CG GLU A 20 -7.193 -3.827 9.905 1.00 0.00 C ATOM 106 CD GLU A 20 -6.296 -5.036 10.091 1.00 0.00 C ATOM 107 OE1 GLU A 20 -5.592 -5.105 11.121 1.00 0.00 O ATOM 108 OE2 GLU A 20 -6.300 -5.926 9.212 1.00 0.00 O ATOM 0 H GLU A 20 -8.130 -2.303 7.966 1.00 0.00 H new ATOM 0 HA GLU A 20 -5.597 -1.088 8.483 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.507 -2.613 10.400 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -7.023 -1.738 10.313 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -7.902 -3.780 10.731 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -7.775 -3.953 8.992 1.00 0.00 H new ATOM 115 N SER A 21 -5.641 -3.981 6.973 1.00 0.00 N ATOM 116 CA SER A 21 -4.806 -4.947 6.266 1.00 0.00 C ATOM 117 C SER A 21 -3.791 -4.245 5.366 1.00 0.00 C ATOM 118 O SER A 21 -2.624 -4.626 5.321 1.00 0.00 O ATOM 119 CB SER A 21 -5.679 -5.889 5.439 1.00 0.00 C ATOM 120 OG SER A 21 -6.680 -6.482 6.244 1.00 0.00 O ATOM 0 H SER A 21 -6.643 -4.104 6.828 1.00 0.00 H new ATOM 0 HA SER A 21 -4.256 -5.526 7.008 1.00 0.00 H new ATOM 0 HB2 SER A 21 -6.143 -5.338 4.621 1.00 0.00 H new ATOM 0 HB3 SER A 21 -5.060 -6.665 4.990 1.00 0.00 H new ATOM 0 HG SER A 21 -7.335 -5.802 6.506 1.00 0.00 H new ATOM 126 N ILE A 22 -4.236 -3.204 4.671 1.00 0.00 N ATOM 127 CA ILE A 22 -3.362 -2.441 3.783 1.00 0.00 C ATOM 128 C ILE A 22 -2.686 -1.317 4.551 1.00 0.00 C ATOM 129 O ILE A 22 -1.875 -0.572 4.002 1.00 0.00 O ATOM 130 CB ILE A 22 -4.136 -1.833 2.596 1.00 0.00 C ATOM 131 CG1 ILE A 22 -5.645 -2.009 2.801 1.00 0.00 C ATOM 132 CG2 ILE A 22 -3.684 -2.468 1.291 1.00 0.00 C ATOM 133 CD1 ILE A 22 -6.499 -1.282 1.787 1.00 0.00 C ATOM 0 H ILE A 22 -5.198 -2.868 4.705 1.00 0.00 H new ATOM 0 HA ILE A 22 -2.618 -3.135 3.393 1.00 0.00 H new ATOM 0 HB ILE A 22 -3.923 -0.765 2.544 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.883 -3.072 2.764 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.908 -1.658 3.799 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -4.239 -2.029 0.462 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -2.618 -2.289 1.149 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -3.871 -3.541 1.325 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -7.552 -1.459 2.004 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.293 -0.213 1.838 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.268 -1.649 0.787 1.00 0.00 H new ATOM 145 N LYS A 23 -3.052 -1.203 5.825 1.00 0.00 N ATOM 146 CA LYS A 23 -2.510 -0.191 6.723 1.00 0.00 C ATOM 147 C LYS A 23 -2.877 1.220 6.274 1.00 0.00 C ATOM 148 O LYS A 23 -2.195 2.182 6.606 1.00 0.00 O ATOM 149 CB LYS A 23 -0.993 -0.348 6.850 1.00 0.00 C ATOM 150 CG LYS A 23 -0.582 -1.630 7.554 1.00 0.00 C ATOM 151 CD LYS A 23 -1.040 -1.638 9.004 1.00 0.00 C ATOM 152 CE LYS A 23 -0.873 -3.008 9.634 1.00 0.00 C ATOM 153 NZ LYS A 23 0.504 -3.228 10.148 1.00 0.00 N ATOM 0 H LYS A 23 -3.738 -1.816 6.265 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.959 -0.343 7.704 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -0.547 -0.328 5.855 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -0.590 0.505 7.397 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -1.008 -2.486 7.032 1.00 0.00 H new ATOM 0 HG3 LYS A 23 0.502 -1.738 7.513 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -0.468 -0.904 9.571 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -2.086 -1.337 9.058 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -1.586 -3.119 10.451 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.111 -3.776 8.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 0.631 -4.233 10.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 1.194 -2.952 9.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 0.652 -2.653 11.002 1.00 0.00 H new ATOM 167 N MET A 24 -3.996 1.337 5.569 1.00 0.00 N ATOM 168 CA MET A 24 -4.475 2.627 5.084 1.00 0.00 C ATOM 169 C MET A 24 -5.712 3.002 5.889 1.00 0.00 C ATOM 170 O MET A 24 -6.627 3.661 5.399 1.00 0.00 O ATOM 171 CB MET A 24 -4.822 2.549 3.589 1.00 0.00 C ATOM 172 CG MET A 24 -3.820 1.765 2.747 1.00 0.00 C ATOM 173 SD MET A 24 -2.544 2.800 2.004 1.00 0.00 S ATOM 174 CE MET A 24 -1.358 2.899 3.344 1.00 0.00 C ATOM 0 H MET A 24 -4.593 0.548 5.319 1.00 0.00 H new ATOM 0 HA MET A 24 -3.698 3.381 5.206 1.00 0.00 H new ATOM 0 HB2 MET A 24 -5.805 2.091 3.481 1.00 0.00 H new ATOM 0 HB3 MET A 24 -4.896 3.562 3.193 1.00 0.00 H new ATOM 0 HG2 MET A 24 -3.345 1.008 3.372 1.00 0.00 H new ATOM 0 HG3 MET A 24 -4.355 1.237 1.957 1.00 0.00 H new ATOM 0 HE1 MET A 24 -0.384 3.186 2.947 1.00 0.00 H new ATOM 0 HE2 MET A 24 -1.689 3.643 4.068 1.00 0.00 H new ATOM 0 HE3 MET A 24 -1.279 1.928 3.832 1.00 0.00 H new ATOM 184 N GLN A 25 -5.702 2.577 7.148 1.00 0.00 N ATOM 185 CA GLN A 25 -6.815 2.784 8.065 1.00 0.00 C ATOM 186 C GLN A 25 -7.107 4.252 8.339 1.00 0.00 C ATOM 187 O GLN A 25 -8.217 4.587 8.744 1.00 0.00 O ATOM 188 CB GLN A 25 -6.542 2.069 9.387 1.00 0.00 C ATOM 189 CG GLN A 25 -5.347 2.627 10.139 1.00 0.00 C ATOM 190 CD GLN A 25 -5.302 2.169 11.579 1.00 0.00 C ATOM 191 OE1 GLN A 25 -6.335 1.954 12.210 1.00 0.00 O ATOM 192 NE2 GLN A 25 -4.101 2.023 12.108 1.00 0.00 N ATOM 0 H GLN A 25 -4.916 2.076 7.563 1.00 0.00 H new ATOM 0 HA GLN A 25 -7.696 2.368 7.577 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -7.426 2.141 10.020 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -6.376 1.010 9.191 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -4.430 2.321 9.635 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -5.379 3.716 10.109 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -3.270 2.213 11.547 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -4.004 1.721 13.077 1.00 0.00 H new ATOM 201 N GLN A 26 -6.147 5.140 8.124 1.00 0.00 N ATOM 202 CA GLN A 26 -6.361 6.555 8.383 1.00 0.00 C ATOM 203 C GLN A 26 -7.170 7.219 7.265 1.00 0.00 C ATOM 204 O GLN A 26 -7.199 8.446 7.153 1.00 0.00 O ATOM 205 CB GLN A 26 -5.002 7.263 8.550 1.00 0.00 C ATOM 206 CG GLN A 26 -4.068 7.156 7.341 1.00 0.00 C ATOM 207 CD GLN A 26 -3.122 5.961 7.409 1.00 0.00 C ATOM 208 OE1 GLN A 26 -3.470 4.908 7.943 1.00 0.00 O ATOM 209 NE2 GLN A 26 -1.924 6.121 6.865 1.00 0.00 N ATOM 0 H GLN A 26 -5.218 4.907 7.773 1.00 0.00 H new ATOM 0 HA GLN A 26 -6.937 6.647 9.304 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -5.181 8.317 8.760 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -4.496 6.846 9.420 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -4.668 7.084 6.434 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -3.481 8.071 7.263 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -1.675 7.010 6.432 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -1.251 5.355 6.879 1.00 0.00 H new ATOM 218 N TYR A 27 -7.813 6.409 6.433 1.00 0.00 N ATOM 219 CA TYR A 27 -8.622 6.917 5.337 1.00 0.00 C ATOM 220 C TYR A 27 -10.073 6.481 5.486 1.00 0.00 C ATOM 221 O TYR A 27 -10.911 6.784 4.632 1.00 0.00 O ATOM 222 CB TYR A 27 -8.057 6.436 4.005 1.00 0.00 C ATOM 223 CG TYR A 27 -6.737 7.079 3.661 1.00 0.00 C ATOM 224 CD1 TYR A 27 -6.693 8.348 3.103 1.00 0.00 C ATOM 225 CD2 TYR A 27 -5.536 6.427 3.907 1.00 0.00 C ATOM 226 CE1 TYR A 27 -5.489 8.951 2.797 1.00 0.00 C ATOM 227 CE2 TYR A 27 -4.329 7.020 3.604 1.00 0.00 C ATOM 228 CZ TYR A 27 -4.309 8.283 3.049 1.00 0.00 C ATOM 229 OH TYR A 27 -3.105 8.882 2.750 1.00 0.00 O ATOM 0 H TYR A 27 -7.788 5.391 6.499 1.00 0.00 H new ATOM 0 HA TYR A 27 -8.592 8.006 5.362 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -7.930 5.354 4.039 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -8.776 6.648 3.213 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -7.616 8.873 2.905 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -5.548 5.439 4.343 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -5.471 9.940 2.363 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -3.404 6.499 3.800 1.00 0.00 H new ATOM 0 HH TYR A 27 -2.379 8.234 2.868 1.00 0.00 H new ATOM 239 N THR A 28 -10.367 5.792 6.583 1.00 0.00 N ATOM 240 CA THR A 28 -11.716 5.308 6.855 1.00 0.00 C ATOM 241 C THR A 28 -12.684 6.479 6.988 1.00 0.00 C ATOM 242 O THR A 28 -13.861 6.381 6.627 1.00 0.00 O ATOM 243 CB THR A 28 -11.744 4.462 8.142 1.00 0.00 C ATOM 244 OG1 THR A 28 -10.617 3.575 8.163 1.00 0.00 O ATOM 245 CG2 THR A 28 -13.026 3.653 8.231 1.00 0.00 C ATOM 0 H THR A 28 -9.684 5.555 7.303 1.00 0.00 H new ATOM 0 HA THR A 28 -12.025 4.682 6.018 1.00 0.00 H new ATOM 0 HB THR A 28 -11.699 5.137 8.997 1.00 0.00 H new ATOM 0 HG1 THR A 28 -9.880 3.994 8.654 1.00 0.00 H new ATOM 0 HG21 THR A 28 -13.022 3.064 9.148 1.00 0.00 H new ATOM 0 HG22 THR A 28 -13.882 4.328 8.237 1.00 0.00 H new ATOM 0 HG23 THR A 28 -13.096 2.986 7.372 1.00 0.00 H new ATOM 253 N GLU A 29 -12.160 7.594 7.474 1.00 0.00 N ATOM 254 CA GLU A 29 -12.946 8.803 7.660 1.00 0.00 C ATOM 255 C GLU A 29 -13.550 9.253 6.335 1.00 0.00 C ATOM 256 O GLU A 29 -14.732 9.590 6.261 1.00 0.00 O ATOM 257 CB GLU A 29 -12.080 9.921 8.245 1.00 0.00 C ATOM 258 CG GLU A 29 -11.533 9.605 9.627 1.00 0.00 C ATOM 259 CD GLU A 29 -10.137 9.013 9.591 1.00 0.00 C ATOM 260 OE1 GLU A 29 -9.969 7.903 9.043 1.00 0.00 O ATOM 261 OE2 GLU A 29 -9.206 9.657 10.119 1.00 0.00 O ATOM 0 H GLU A 29 -11.182 7.686 7.749 1.00 0.00 H new ATOM 0 HA GLU A 29 -13.753 8.582 8.359 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -11.247 10.116 7.569 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -12.669 10.837 8.297 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -11.520 10.517 10.224 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -12.205 8.907 10.127 1.00 0.00 H new ATOM 268 N HIS A 30 -12.730 9.245 5.289 1.00 0.00 N ATOM 269 CA HIS A 30 -13.167 9.647 3.959 1.00 0.00 C ATOM 270 C HIS A 30 -14.110 8.607 3.359 1.00 0.00 C ATOM 271 O HIS A 30 -15.084 8.953 2.690 1.00 0.00 O ATOM 272 CB HIS A 30 -11.957 9.838 3.044 1.00 0.00 C ATOM 273 CG HIS A 30 -10.957 10.823 3.565 1.00 0.00 C ATOM 274 ND1 HIS A 30 -9.712 10.478 4.046 1.00 0.00 N ATOM 275 CD2 HIS A 30 -11.037 12.173 3.675 1.00 0.00 C ATOM 276 CE1 HIS A 30 -9.090 11.600 4.427 1.00 0.00 C ATOM 277 NE2 HIS A 30 -9.851 12.658 4.224 1.00 0.00 N ATOM 0 H HIS A 30 -11.751 8.962 5.339 1.00 0.00 H new ATOM 0 HA HIS A 30 -13.704 10.591 4.048 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -11.465 8.876 2.901 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -12.302 10.168 2.064 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -11.884 12.776 3.384 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -8.095 11.635 4.846 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -9.619 13.630 4.427 1.00 0.00 H new ATOM 285 N PHE A 31 -13.811 7.331 3.606 1.00 0.00 N ATOM 286 CA PHE A 31 -14.635 6.232 3.105 1.00 0.00 C ATOM 287 C PHE A 31 -16.076 6.396 3.570 1.00 0.00 C ATOM 288 O PHE A 31 -17.014 6.322 2.772 1.00 0.00 O ATOM 289 CB PHE A 31 -14.092 4.887 3.599 1.00 0.00 C ATOM 290 CG PHE A 31 -13.115 4.223 2.670 1.00 0.00 C ATOM 291 CD1 PHE A 31 -11.804 4.661 2.584 1.00 0.00 C ATOM 292 CD2 PHE A 31 -13.508 3.143 1.897 1.00 0.00 C ATOM 293 CE1 PHE A 31 -10.903 4.034 1.745 1.00 0.00 C ATOM 294 CE2 PHE A 31 -12.612 2.514 1.053 1.00 0.00 C ATOM 295 CZ PHE A 31 -11.308 2.960 0.978 1.00 0.00 C ATOM 0 H PHE A 31 -13.002 7.033 4.151 1.00 0.00 H new ATOM 0 HA PHE A 31 -14.603 6.253 2.016 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -13.609 5.038 4.564 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -14.931 4.211 3.765 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -11.482 5.502 3.180 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -14.526 2.788 1.954 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -9.883 4.384 1.689 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -12.932 1.675 0.453 1.00 0.00 H new ATOM 0 HZ PHE A 31 -10.606 2.470 0.320 1.00 0.00 H new ATOM 305 N MET A 32 -16.239 6.658 4.861 1.00 0.00 N ATOM 306 CA MET A 32 -17.558 6.825 5.452 1.00 0.00 C ATOM 307 C MET A 32 -18.277 8.045 4.889 1.00 0.00 C ATOM 308 O MET A 32 -19.495 8.020 4.709 1.00 0.00 O ATOM 309 CB MET A 32 -17.455 6.957 6.974 1.00 0.00 C ATOM 310 CG MET A 32 -16.776 5.782 7.665 1.00 0.00 C ATOM 311 SD MET A 32 -17.584 4.200 7.345 1.00 0.00 S ATOM 312 CE MET A 32 -16.379 3.425 6.267 1.00 0.00 C ATOM 0 H MET A 32 -15.468 6.760 5.521 1.00 0.00 H new ATOM 0 HA MET A 32 -18.136 5.936 5.200 1.00 0.00 H new ATOM 0 HB2 MET A 32 -16.906 7.868 7.211 1.00 0.00 H new ATOM 0 HB3 MET A 32 -18.458 7.074 7.385 1.00 0.00 H new ATOM 0 HG2 MET A 32 -15.739 5.725 7.335 1.00 0.00 H new ATOM 0 HG3 MET A 32 -16.759 5.962 8.740 1.00 0.00 H new ATOM 0 HE1 MET A 32 -16.590 2.358 6.193 1.00 0.00 H new ATOM 0 HE2 MET A 32 -16.434 3.875 5.276 1.00 0.00 H new ATOM 0 HE3 MET A 32 -15.379 3.570 6.676 1.00 0.00 H new ATOM 322 N ALA A 33 -17.532 9.104 4.583 1.00 0.00 N ATOM 323 CA ALA A 33 -18.128 10.329 4.064 1.00 0.00 C ATOM 324 C ALA A 33 -18.627 10.145 2.639 1.00 0.00 C ATOM 325 O ALA A 33 -19.684 10.661 2.271 1.00 0.00 O ATOM 326 CB ALA A 33 -17.123 11.465 4.118 1.00 0.00 C ATOM 0 H ALA A 33 -16.518 9.138 4.685 1.00 0.00 H new ATOM 0 HA ALA A 33 -18.984 10.574 4.692 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -17.580 12.374 3.728 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -16.814 11.629 5.150 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -16.252 11.209 3.515 1.00 0.00 H new ATOM 332 N ALA A 34 -17.867 9.398 1.848 1.00 0.00 N ATOM 333 CA ALA A 34 -18.222 9.142 0.457 1.00 0.00 C ATOM 334 C ALA A 34 -19.457 8.248 0.352 1.00 0.00 C ATOM 335 O ALA A 34 -20.010 8.059 -0.730 1.00 0.00 O ATOM 336 CB ALA A 34 -17.046 8.523 -0.288 1.00 0.00 C ATOM 0 H ALA A 34 -16.997 8.957 2.147 1.00 0.00 H new ATOM 0 HA ALA A 34 -18.465 10.098 -0.007 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -17.328 8.339 -1.324 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -16.197 9.206 -0.259 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -16.770 7.581 0.186 1.00 0.00 H new ATOM 342 N GLY A 35 -19.885 7.703 1.484 1.00 0.00 N ATOM 343 CA GLY A 35 -21.059 6.855 1.503 1.00 0.00 C ATOM 344 C GLY A 35 -20.714 5.386 1.460 1.00 0.00 C ATOM 345 O GLY A 35 -21.601 4.532 1.415 1.00 0.00 O ATOM 0 H GLY A 35 -19.438 7.834 2.391 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -21.638 7.062 2.403 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -21.694 7.101 0.652 1.00 0.00 H new ATOM 349 N TYR A 36 -19.427 5.081 1.470 1.00 0.00 N ATOM 350 CA TYR A 36 -18.977 3.702 1.438 1.00 0.00 C ATOM 351 C TYR A 36 -18.704 3.234 2.853 1.00 0.00 C ATOM 352 O TYR A 36 -17.559 3.047 3.261 1.00 0.00 O ATOM 353 CB TYR A 36 -17.734 3.568 0.553 1.00 0.00 C ATOM 354 CG TYR A 36 -17.919 4.210 -0.803 1.00 0.00 C ATOM 355 CD1 TYR A 36 -19.029 3.911 -1.580 1.00 0.00 C ATOM 356 CD2 TYR A 36 -17.005 5.134 -1.293 1.00 0.00 C ATOM 357 CE1 TYR A 36 -19.227 4.514 -2.803 1.00 0.00 C ATOM 358 CE2 TYR A 36 -17.195 5.737 -2.522 1.00 0.00 C ATOM 359 CZ TYR A 36 -18.310 5.424 -3.270 1.00 0.00 C ATOM 360 OH TYR A 36 -18.522 6.038 -4.483 1.00 0.00 O ATOM 0 H TYR A 36 -18.676 5.771 1.500 1.00 0.00 H new ATOM 0 HA TYR A 36 -19.754 3.070 1.007 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -16.882 4.027 1.056 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -17.496 2.512 0.423 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -19.751 3.193 -1.220 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -16.134 5.385 -0.706 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -20.099 4.272 -3.392 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -16.474 6.450 -2.894 1.00 0.00 H new ATOM 0 HH TYR A 36 -17.672 6.381 -4.829 1.00 0.00 H new ATOM 370 N THR A 37 -19.783 3.081 3.605 1.00 0.00 N ATOM 371 CA THR A 37 -19.714 2.666 4.990 1.00 0.00 C ATOM 372 C THR A 37 -19.473 1.166 5.122 1.00 0.00 C ATOM 373 O THR A 37 -18.413 0.741 5.565 1.00 0.00 O ATOM 374 CB THR A 37 -21.018 3.040 5.710 1.00 0.00 C ATOM 375 OG1 THR A 37 -22.131 2.829 4.827 1.00 0.00 O ATOM 376 CG2 THR A 37 -20.991 4.494 6.158 1.00 0.00 C ATOM 0 H THR A 37 -20.732 3.243 3.267 1.00 0.00 H new ATOM 0 HA THR A 37 -18.871 3.183 5.448 1.00 0.00 H new ATOM 0 HB THR A 37 -21.121 2.408 6.592 1.00 0.00 H new ATOM 0 HG1 THR A 37 -22.963 3.066 5.287 1.00 0.00 H new ATOM 0 HG21 THR A 37 -21.925 4.736 6.665 1.00 0.00 H new ATOM 0 HG22 THR A 37 -20.156 4.649 6.841 1.00 0.00 H new ATOM 0 HG23 THR A 37 -20.873 5.141 5.288 1.00 0.00 H new ATOM 384 N ALA A 38 -20.467 0.378 4.744 1.00 0.00 N ATOM 385 CA ALA A 38 -20.370 -1.073 4.823 1.00 0.00 C ATOM 386 C ALA A 38 -19.707 -1.676 3.582 1.00 0.00 C ATOM 387 O ALA A 38 -19.522 -1.002 2.565 1.00 0.00 O ATOM 388 CB ALA A 38 -21.746 -1.676 5.041 1.00 0.00 C ATOM 0 H ALA A 38 -21.355 0.720 4.377 1.00 0.00 H new ATOM 0 HA ALA A 38 -19.733 -1.315 5.674 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -21.663 -2.761 5.099 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -22.167 -1.294 5.971 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -22.397 -1.406 4.210 1.00 0.00 H new ATOM 394 N ILE A 39 -19.385 -2.964 3.686 1.00 0.00 N ATOM 395 CA ILE A 39 -18.713 -3.723 2.627 1.00 0.00 C ATOM 396 C ILE A 39 -19.389 -3.584 1.259 1.00 0.00 C ATOM 397 O ILE A 39 -18.715 -3.322 0.263 1.00 0.00 O ATOM 398 CB ILE A 39 -18.635 -5.221 2.999 1.00 0.00 C ATOM 399 CG1 ILE A 39 -17.865 -5.416 4.312 1.00 0.00 C ATOM 400 CG2 ILE A 39 -17.995 -6.031 1.877 1.00 0.00 C ATOM 401 CD1 ILE A 39 -16.381 -5.120 4.210 1.00 0.00 C ATOM 0 H ILE A 39 -19.585 -3.519 4.518 1.00 0.00 H new ATOM 0 HA ILE A 39 -17.713 -3.298 2.544 1.00 0.00 H new ATOM 0 HB ILE A 39 -19.653 -5.584 3.140 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -18.301 -4.772 5.076 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -17.997 -6.444 4.649 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -17.953 -7.081 2.165 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -18.589 -5.927 0.969 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -16.985 -5.664 1.694 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -15.910 -5.282 5.180 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -15.928 -5.782 3.472 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -16.237 -4.083 3.905 1.00 0.00 H new ATOM 413 N GLU A 40 -20.710 -3.755 1.215 1.00 0.00 N ATOM 414 CA GLU A 40 -21.458 -3.676 -0.050 1.00 0.00 C ATOM 415 C GLU A 40 -21.183 -2.372 -0.790 1.00 0.00 C ATOM 416 O GLU A 40 -21.048 -2.358 -2.010 1.00 0.00 O ATOM 417 CB GLU A 40 -22.971 -3.800 0.174 1.00 0.00 C ATOM 418 CG GLU A 40 -23.370 -4.716 1.315 1.00 0.00 C ATOM 419 CD GLU A 40 -23.309 -4.017 2.651 1.00 0.00 C ATOM 420 OE1 GLU A 40 -24.140 -3.116 2.896 1.00 0.00 O ATOM 421 OE2 GLU A 40 -22.419 -4.354 3.454 1.00 0.00 O ATOM 0 H GLU A 40 -21.287 -3.948 2.034 1.00 0.00 H new ATOM 0 HA GLU A 40 -21.112 -4.514 -0.655 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -23.379 -2.807 0.364 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -23.432 -4.164 -0.744 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -24.381 -5.086 1.146 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -22.711 -5.584 1.330 1.00 0.00 H new ATOM 428 N LYS A 41 -21.085 -1.281 -0.051 1.00 0.00 N ATOM 429 CA LYS A 41 -20.843 0.019 -0.655 1.00 0.00 C ATOM 430 C LYS A 41 -19.394 0.138 -1.113 1.00 0.00 C ATOM 431 O LYS A 41 -19.102 0.763 -2.131 1.00 0.00 O ATOM 432 CB LYS A 41 -21.188 1.138 0.328 1.00 0.00 C ATOM 433 CG LYS A 41 -22.615 1.070 0.852 1.00 0.00 C ATOM 434 CD LYS A 41 -22.668 0.489 2.255 1.00 0.00 C ATOM 435 CE LYS A 41 -24.095 0.383 2.768 1.00 0.00 C ATOM 436 NZ LYS A 41 -24.878 -0.653 2.044 1.00 0.00 N ATOM 0 H LYS A 41 -21.169 -1.268 0.965 1.00 0.00 H new ATOM 0 HA LYS A 41 -21.487 0.116 -1.529 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -20.498 1.095 1.171 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -21.035 2.100 -0.161 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -23.050 2.069 0.855 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -23.221 0.460 0.182 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -22.207 -0.499 2.257 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -22.085 1.115 2.930 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -24.080 0.147 3.832 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -24.589 1.349 2.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -25.816 -0.749 2.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -24.988 -0.372 1.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -24.378 -1.564 2.094 1.00 0.00 H new ATOM 450 N VAL A 42 -18.493 -0.487 -0.368 1.00 0.00 N ATOM 451 CA VAL A 42 -17.074 -0.455 -0.693 1.00 0.00 C ATOM 452 C VAL A 42 -16.790 -1.240 -1.975 1.00 0.00 C ATOM 453 O VAL A 42 -16.025 -0.794 -2.826 1.00 0.00 O ATOM 454 CB VAL A 42 -16.217 -1.021 0.463 1.00 0.00 C ATOM 455 CG1 VAL A 42 -14.739 -1.018 0.102 1.00 0.00 C ATOM 456 CG2 VAL A 42 -16.453 -0.224 1.737 1.00 0.00 C ATOM 0 H VAL A 42 -18.721 -1.024 0.469 1.00 0.00 H new ATOM 0 HA VAL A 42 -16.802 0.589 -0.847 1.00 0.00 H new ATOM 0 HB VAL A 42 -16.521 -2.054 0.634 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -14.161 -1.421 0.933 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -14.579 -1.633 -0.783 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -14.417 0.003 -0.103 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -15.843 -0.635 2.541 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -16.180 0.818 1.570 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -17.506 -0.283 2.014 1.00 0.00 H new ATOM 466 N VAL A 43 -17.430 -2.394 -2.126 1.00 0.00 N ATOM 467 CA VAL A 43 -17.222 -3.227 -3.308 1.00 0.00 C ATOM 468 C VAL A 43 -17.968 -2.678 -4.526 1.00 0.00 C ATOM 469 O VAL A 43 -17.794 -3.170 -5.643 1.00 0.00 O ATOM 470 CB VAL A 43 -17.648 -4.694 -3.068 1.00 0.00 C ATOM 471 CG1 VAL A 43 -16.895 -5.283 -1.888 1.00 0.00 C ATOM 472 CG2 VAL A 43 -19.150 -4.804 -2.853 1.00 0.00 C ATOM 0 H VAL A 43 -18.093 -2.774 -1.450 1.00 0.00 H new ATOM 0 HA VAL A 43 -16.151 -3.204 -3.507 1.00 0.00 H new ATOM 0 HB VAL A 43 -17.395 -5.266 -3.961 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -17.209 -6.316 -1.735 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -15.824 -5.255 -2.089 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -17.111 -4.702 -0.992 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -19.418 -5.847 -2.687 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -19.437 -4.213 -1.984 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -19.672 -4.431 -3.734 1.00 0.00 H new ATOM 482 N GLN A 44 -18.793 -1.663 -4.310 1.00 0.00 N ATOM 483 CA GLN A 44 -19.556 -1.060 -5.396 1.00 0.00 C ATOM 484 C GLN A 44 -18.777 0.069 -6.055 1.00 0.00 C ATOM 485 O GLN A 44 -19.065 0.445 -7.193 1.00 0.00 O ATOM 486 CB GLN A 44 -20.899 -0.542 -4.891 1.00 0.00 C ATOM 487 CG GLN A 44 -22.000 -1.587 -4.932 1.00 0.00 C ATOM 488 CD GLN A 44 -23.323 -1.055 -4.427 1.00 0.00 C ATOM 489 OE1 GLN A 44 -23.628 0.130 -4.569 1.00 0.00 O ATOM 490 NE2 GLN A 44 -24.117 -1.926 -3.831 1.00 0.00 N ATOM 0 H GLN A 44 -18.951 -1.240 -3.395 1.00 0.00 H new ATOM 0 HA GLN A 44 -19.736 -1.834 -6.142 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -20.782 -0.188 -3.867 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -21.199 0.316 -5.493 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -22.122 -1.942 -5.955 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -21.704 -2.446 -4.330 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -23.826 -2.899 -3.734 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -25.022 -1.626 -3.467 1.00 0.00 H new ATOM 499 N MET A 45 -17.815 0.628 -5.330 1.00 0.00 N ATOM 500 CA MET A 45 -16.991 1.711 -5.859 1.00 0.00 C ATOM 501 C MET A 45 -16.118 1.232 -7.022 1.00 0.00 C ATOM 502 O MET A 45 -16.128 0.053 -7.390 1.00 0.00 O ATOM 503 CB MET A 45 -16.113 2.311 -4.754 1.00 0.00 C ATOM 504 CG MET A 45 -14.840 1.523 -4.474 1.00 0.00 C ATOM 505 SD MET A 45 -13.715 2.391 -3.364 1.00 0.00 S ATOM 506 CE MET A 45 -14.663 2.374 -1.846 1.00 0.00 C ATOM 0 H MET A 45 -17.586 0.351 -4.376 1.00 0.00 H new ATOM 0 HA MET A 45 -17.663 2.482 -6.235 1.00 0.00 H new ATOM 0 HB2 MET A 45 -15.843 3.330 -5.032 1.00 0.00 H new ATOM 0 HB3 MET A 45 -16.697 2.376 -3.836 1.00 0.00 H new ATOM 0 HG2 MET A 45 -15.103 0.559 -4.038 1.00 0.00 H new ATOM 0 HG3 MET A 45 -14.330 1.319 -5.415 1.00 0.00 H new ATOM 0 HE1 MET A 45 -14.702 3.381 -1.430 1.00 0.00 H new ATOM 0 HE2 MET A 45 -15.676 2.028 -2.053 1.00 0.00 H new ATOM 0 HE3 MET A 45 -14.190 1.703 -1.129 1.00 0.00 H new ATOM 516 N THR A 46 -15.340 2.147 -7.578 1.00 0.00 N ATOM 517 CA THR A 46 -14.470 1.835 -8.694 1.00 0.00 C ATOM 518 C THR A 46 -13.100 2.475 -8.471 1.00 0.00 C ATOM 519 O THR A 46 -12.896 3.160 -7.470 1.00 0.00 O ATOM 520 CB THR A 46 -15.086 2.318 -10.029 1.00 0.00 C ATOM 521 OG1 THR A 46 -14.379 1.749 -11.140 1.00 0.00 O ATOM 522 CG2 THR A 46 -15.065 3.839 -10.132 1.00 0.00 C ATOM 0 H THR A 46 -15.296 3.118 -7.270 1.00 0.00 H new ATOM 0 HA THR A 46 -14.353 0.753 -8.755 1.00 0.00 H new ATOM 0 HB THR A 46 -16.124 1.987 -10.053 1.00 0.00 H new ATOM 0 HG1 THR A 46 -14.780 2.061 -11.978 1.00 0.00 H new ATOM 0 HG21 THR A 46 -15.505 4.146 -11.081 1.00 0.00 H new ATOM 0 HG22 THR A 46 -15.640 4.267 -9.311 1.00 0.00 H new ATOM 0 HG23 THR A 46 -14.036 4.193 -10.078 1.00 0.00 H new ATOM 530 N ASN A 47 -12.171 2.246 -9.394 1.00 0.00 N ATOM 531 CA ASN A 47 -10.823 2.805 -9.284 1.00 0.00 C ATOM 532 C ASN A 47 -10.873 4.323 -9.160 1.00 0.00 C ATOM 533 O ASN A 47 -10.166 4.907 -8.341 1.00 0.00 O ATOM 534 CB ASN A 47 -9.967 2.403 -10.487 1.00 0.00 C ATOM 535 CG ASN A 47 -9.306 1.048 -10.305 1.00 0.00 C ATOM 536 OD1 ASN A 47 -9.930 0.008 -10.517 1.00 0.00 O ATOM 537 ND2 ASN A 47 -8.037 1.051 -9.922 1.00 0.00 N ATOM 0 H ASN A 47 -12.324 1.678 -10.227 1.00 0.00 H new ATOM 0 HA ASN A 47 -10.367 2.398 -8.382 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -10.590 2.382 -11.381 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -9.199 3.159 -10.651 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -7.541 0.169 -9.793 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -7.556 1.935 -9.757 1.00 0.00 H new ATOM 544 N ASP A 48 -11.708 4.955 -9.982 1.00 0.00 N ATOM 545 CA ASP A 48 -11.871 6.410 -9.957 1.00 0.00 C ATOM 546 C ASP A 48 -12.314 6.890 -8.578 1.00 0.00 C ATOM 547 O ASP A 48 -11.868 7.933 -8.103 1.00 0.00 O ATOM 548 CB ASP A 48 -12.893 6.854 -11.005 1.00 0.00 C ATOM 549 CG ASP A 48 -13.004 8.364 -11.100 1.00 0.00 C ATOM 550 OD1 ASP A 48 -12.072 8.995 -11.640 1.00 0.00 O ATOM 551 OD2 ASP A 48 -14.027 8.926 -10.650 1.00 0.00 O ATOM 0 H ASP A 48 -12.285 4.481 -10.677 1.00 0.00 H new ATOM 0 HA ASP A 48 -10.903 6.854 -10.187 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -12.611 6.451 -11.978 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -13.869 6.435 -10.758 1.00 0.00 H new ATOM 556 N ASP A 49 -13.179 6.112 -7.936 1.00 0.00 N ATOM 557 CA ASP A 49 -13.680 6.451 -6.607 1.00 0.00 C ATOM 558 C ASP A 49 -12.538 6.541 -5.613 1.00 0.00 C ATOM 559 O ASP A 49 -12.489 7.450 -4.791 1.00 0.00 O ATOM 560 CB ASP A 49 -14.680 5.409 -6.119 1.00 0.00 C ATOM 561 CG ASP A 49 -16.088 5.698 -6.571 1.00 0.00 C ATOM 562 OD1 ASP A 49 -16.661 6.716 -6.126 1.00 0.00 O ATOM 563 OD2 ASP A 49 -16.638 4.905 -7.360 1.00 0.00 O ATOM 0 H ASP A 49 -13.549 5.240 -8.315 1.00 0.00 H new ATOM 0 HA ASP A 49 -14.177 7.418 -6.681 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -14.381 4.426 -6.482 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -14.654 5.368 -5.030 1.00 0.00 H new ATOM 568 N ILE A 50 -11.612 5.610 -5.712 1.00 0.00 N ATOM 569 CA ILE A 50 -10.438 5.562 -4.845 1.00 0.00 C ATOM 570 C ILE A 50 -9.603 6.810 -4.996 1.00 0.00 C ATOM 571 O ILE A 50 -8.848 7.192 -4.092 1.00 0.00 O ATOM 572 CB ILE A 50 -9.589 4.250 -5.098 1.00 0.00 C ATOM 573 CG1 ILE A 50 -10.356 2.916 -4.831 1.00 0.00 C ATOM 574 CG2 ILE A 50 -8.263 4.220 -4.276 1.00 0.00 C ATOM 575 CD1 ILE A 50 -10.935 2.745 -3.411 1.00 0.00 C ATOM 0 H ILE A 50 -11.647 4.857 -6.399 1.00 0.00 H new ATOM 0 HA ILE A 50 -10.784 5.524 -3.812 1.00 0.00 H new ATOM 0 HB ILE A 50 -9.368 4.305 -6.164 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -11.174 2.840 -5.548 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -9.680 2.084 -5.029 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -7.723 3.298 -4.490 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -7.645 5.075 -4.551 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -8.494 4.267 -3.212 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -11.445 1.785 -3.339 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -10.126 2.781 -2.681 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -11.643 3.548 -3.208 1.00 0.00 H new ATOM 587 N LYS A 51 -9.700 7.441 -6.153 1.00 0.00 N ATOM 588 CA LYS A 51 -8.936 8.645 -6.437 1.00 0.00 C ATOM 589 C LYS A 51 -9.719 9.891 -6.044 1.00 0.00 C ATOM 590 O LYS A 51 -9.153 10.979 -5.937 1.00 0.00 O ATOM 591 CB LYS A 51 -8.591 8.708 -7.929 1.00 0.00 C ATOM 592 CG LYS A 51 -8.099 7.387 -8.505 1.00 0.00 C ATOM 593 CD LYS A 51 -7.973 7.449 -10.018 1.00 0.00 C ATOM 594 CE LYS A 51 -6.788 8.298 -10.449 1.00 0.00 C ATOM 595 NZ LYS A 51 -5.499 7.565 -10.326 1.00 0.00 N ATOM 0 H LYS A 51 -10.305 7.138 -6.916 1.00 0.00 H new ATOM 0 HA LYS A 51 -8.018 8.610 -5.851 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -9.474 9.028 -8.483 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.825 9.468 -8.083 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -7.132 7.137 -8.069 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -8.789 6.590 -8.229 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -7.862 6.440 -10.416 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -8.889 7.860 -10.443 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -6.927 8.615 -11.483 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -6.750 9.202 -9.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.719 8.181 -10.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -5.352 7.284 -9.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -5.524 6.716 -10.926 1.00 0.00 H new ATOM 609 N ARG A 52 -11.025 9.739 -5.825 1.00 0.00 N ATOM 610 CA ARG A 52 -11.873 10.869 -5.475 1.00 0.00 C ATOM 611 C ARG A 52 -12.122 10.935 -3.971 1.00 0.00 C ATOM 612 O ARG A 52 -12.421 12.001 -3.433 1.00 0.00 O ATOM 613 CB ARG A 52 -13.206 10.777 -6.221 1.00 0.00 C ATOM 614 CG ARG A 52 -14.079 12.011 -6.065 1.00 0.00 C ATOM 615 CD ARG A 52 -15.230 12.006 -7.054 1.00 0.00 C ATOM 616 NE ARG A 52 -16.458 11.484 -6.462 1.00 0.00 N ATOM 617 CZ ARG A 52 -17.671 11.970 -6.716 1.00 0.00 C ATOM 618 NH1 ARG A 52 -17.823 12.983 -7.565 1.00 0.00 N ATOM 619 NH2 ARG A 52 -18.734 11.432 -6.130 1.00 0.00 N ATOM 0 H ARG A 52 -11.514 8.846 -5.884 1.00 0.00 H new ATOM 0 HA ARG A 52 -11.354 11.781 -5.771 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -13.009 10.614 -7.281 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -13.755 9.907 -5.861 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -14.471 12.055 -5.049 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -13.475 12.906 -6.212 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -15.404 13.020 -7.413 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -14.960 11.403 -7.921 1.00 0.00 H new ATOM 0 HE ARG A 52 -16.382 10.699 -5.815 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -17.008 13.390 -8.024 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -18.754 13.352 -7.757 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -18.620 10.648 -5.487 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -19.665 11.802 -6.323 1.00 0.00 H new ATOM 633 N ILE A 53 -11.989 9.796 -3.295 1.00 0.00 N ATOM 634 CA ILE A 53 -12.192 9.726 -1.844 1.00 0.00 C ATOM 635 C ILE A 53 -11.049 10.390 -1.075 1.00 0.00 C ATOM 636 O ILE A 53 -10.950 10.259 0.142 1.00 0.00 O ATOM 637 CB ILE A 53 -12.326 8.268 -1.348 1.00 0.00 C ATOM 638 CG1 ILE A 53 -11.094 7.453 -1.750 1.00 0.00 C ATOM 639 CG2 ILE A 53 -13.598 7.634 -1.892 1.00 0.00 C ATOM 640 CD1 ILE A 53 -10.995 6.114 -1.055 1.00 0.00 C ATOM 0 H ILE A 53 -11.741 8.906 -3.727 1.00 0.00 H new ATOM 0 HA ILE A 53 -13.121 10.262 -1.652 1.00 0.00 H new ATOM 0 HB ILE A 53 -12.390 8.275 -0.260 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -11.112 7.292 -2.828 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -10.198 8.033 -1.530 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -13.676 6.608 -1.533 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -14.463 8.204 -1.552 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -13.568 7.635 -2.982 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -10.097 5.595 -1.391 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -10.944 6.267 0.023 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -11.872 5.514 -1.295 1.00 0.00 H new ATOM 652 N GLY A 54 -10.182 11.088 -1.788 1.00 0.00 N ATOM 653 CA GLY A 54 -9.070 11.753 -1.155 1.00 0.00 C ATOM 654 C GLY A 54 -7.749 11.306 -1.734 1.00 0.00 C ATOM 655 O GLY A 54 -7.081 12.080 -2.418 1.00 0.00 O ATOM 0 H GLY A 54 -10.231 11.205 -2.800 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -9.174 12.831 -1.276 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -9.086 11.549 -0.084 1.00 0.00 H new ATOM 659 N VAL A 55 -7.363 10.070 -1.418 1.00 0.00 N ATOM 660 CA VAL A 55 -6.120 9.468 -1.901 1.00 0.00 C ATOM 661 C VAL A 55 -5.803 9.821 -3.355 1.00 0.00 C ATOM 662 O VAL A 55 -6.451 9.340 -4.282 1.00 0.00 O ATOM 663 CB VAL A 55 -6.171 7.931 -1.779 1.00 0.00 C ATOM 664 CG1 VAL A 55 -4.833 7.323 -2.157 1.00 0.00 C ATOM 665 CG2 VAL A 55 -6.574 7.508 -0.374 1.00 0.00 C ATOM 0 H VAL A 55 -7.908 9.454 -0.815 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.333 9.881 -1.270 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.927 7.561 -2.472 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -4.887 6.238 -2.065 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -4.590 7.588 -3.186 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.059 7.705 -1.492 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.602 6.420 -0.316 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.848 7.891 0.344 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -7.560 7.909 -0.142 1.00 0.00 H new ATOM 675 N ARG A 56 -4.793 10.657 -3.539 1.00 0.00 N ATOM 676 CA ARG A 56 -4.367 11.060 -4.870 1.00 0.00 C ATOM 677 C ARG A 56 -3.026 10.418 -5.208 1.00 0.00 C ATOM 678 O ARG A 56 -2.545 10.508 -6.338 1.00 0.00 O ATOM 679 CB ARG A 56 -4.270 12.590 -4.970 1.00 0.00 C ATOM 680 CG ARG A 56 -3.666 13.264 -3.742 1.00 0.00 C ATOM 681 CD ARG A 56 -2.144 13.219 -3.753 1.00 0.00 C ATOM 682 NE ARG A 56 -1.570 13.672 -2.483 1.00 0.00 N ATOM 683 CZ ARG A 56 -0.309 14.088 -2.338 1.00 0.00 C ATOM 684 NH1 ARG A 56 0.521 14.089 -3.378 1.00 0.00 N ATOM 685 NH2 ARG A 56 0.125 14.492 -1.149 1.00 0.00 N ATOM 0 H ARG A 56 -4.251 11.071 -2.780 1.00 0.00 H new ATOM 0 HA ARG A 56 -5.111 10.719 -5.590 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -3.670 12.848 -5.843 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -5.268 12.995 -5.138 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.997 14.302 -3.699 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.036 12.774 -2.841 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -1.813 12.201 -3.957 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -1.769 13.844 -4.563 1.00 0.00 H new ATOM 0 HE ARG A 56 -2.171 13.669 -1.659 1.00 0.00 H new ATOM 0 HH11 ARG A 56 0.195 13.771 -4.291 1.00 0.00 H new ATOM 0 HH12 ARG A 56 1.483 14.408 -3.262 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -0.505 14.485 -0.347 1.00 0.00 H new ATOM 0 HH22 ARG A 56 1.088 14.810 -1.039 1.00 0.00 H new ATOM 699 N LEU A 57 -2.429 9.776 -4.211 1.00 0.00 N ATOM 700 CA LEU A 57 -1.143 9.114 -4.380 1.00 0.00 C ATOM 701 C LEU A 57 -1.328 7.764 -5.063 1.00 0.00 C ATOM 702 O LEU A 57 -2.136 6.946 -4.623 1.00 0.00 O ATOM 703 CB LEU A 57 -0.458 8.947 -3.021 1.00 0.00 C ATOM 704 CG LEU A 57 0.135 10.233 -2.440 1.00 0.00 C ATOM 705 CD1 LEU A 57 0.310 10.118 -0.933 1.00 0.00 C ATOM 706 CD2 LEU A 57 1.463 10.550 -3.109 1.00 0.00 C ATOM 0 H LEU A 57 -2.819 9.700 -3.271 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.507 9.731 -5.015 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.181 8.544 -2.312 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.338 8.208 -3.119 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.559 11.050 -2.637 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.733 11.044 -0.544 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.659 9.937 -0.467 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.981 9.290 -0.707 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.874 11.467 -2.686 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.160 9.729 -2.941 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.309 10.682 -4.180 1.00 0.00 H new ATOM 718 N PRO A 58 -0.572 7.515 -6.144 1.00 0.00 N ATOM 719 CA PRO A 58 -0.666 6.269 -6.918 1.00 0.00 C ATOM 720 C PRO A 58 -0.402 5.019 -6.082 1.00 0.00 C ATOM 721 O PRO A 58 -1.161 4.056 -6.144 1.00 0.00 O ATOM 722 CB PRO A 58 0.408 6.425 -8.004 1.00 0.00 C ATOM 723 CG PRO A 58 1.301 7.517 -7.523 1.00 0.00 C ATOM 724 CD PRO A 58 0.439 8.428 -6.702 1.00 0.00 C ATOM 0 HA PRO A 58 -1.672 6.129 -7.312 1.00 0.00 H new ATOM 0 HB2 PRO A 58 0.962 5.497 -8.144 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -0.039 6.678 -8.965 1.00 0.00 H new ATOM 0 HG2 PRO A 58 2.121 7.116 -6.928 1.00 0.00 H new ATOM 0 HG3 PRO A 58 1.747 8.053 -8.361 1.00 0.00 H new ATOM 0 HD2 PRO A 58 1.010 8.925 -5.918 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -0.015 9.210 -7.310 1.00 0.00 H new ATOM 732 N GLY A 59 0.674 5.036 -5.302 1.00 0.00 N ATOM 733 CA GLY A 59 1.009 3.887 -4.478 1.00 0.00 C ATOM 734 C GLY A 59 -0.052 3.583 -3.438 1.00 0.00 C ATOM 735 O GLY A 59 -0.361 2.417 -3.173 1.00 0.00 O ATOM 0 H GLY A 59 1.319 5.822 -5.225 1.00 0.00 H new ATOM 0 HA2 GLY A 59 1.146 3.015 -5.117 1.00 0.00 H new ATOM 0 HA3 GLY A 59 1.960 4.069 -3.978 1.00 0.00 H new ATOM 739 N HIS A 60 -0.600 4.637 -2.850 1.00 0.00 N ATOM 740 CA HIS A 60 -1.644 4.502 -1.839 1.00 0.00 C ATOM 741 C HIS A 60 -2.898 3.931 -2.482 1.00 0.00 C ATOM 742 O HIS A 60 -3.648 3.174 -1.867 1.00 0.00 O ATOM 743 CB HIS A 60 -1.949 5.861 -1.208 1.00 0.00 C ATOM 744 CG HIS A 60 -1.418 6.047 0.180 1.00 0.00 C ATOM 745 ND1 HIS A 60 -0.087 6.226 0.483 1.00 0.00 N ATOM 746 CD2 HIS A 60 -2.077 6.108 1.362 1.00 0.00 C ATOM 747 CE1 HIS A 60 0.020 6.389 1.806 1.00 0.00 C ATOM 748 NE2 HIS A 60 -1.163 6.328 2.387 1.00 0.00 N ATOM 0 H HIS A 60 -0.338 5.601 -3.056 1.00 0.00 H new ATOM 0 HA HIS A 60 -1.300 3.827 -1.056 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -1.536 6.642 -1.847 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -3.030 6.002 -1.190 1.00 0.00 H new ATOM 0 HD1 HIS A 60 0.683 6.233 -0.185 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -3.144 6.002 1.489 1.00 0.00 H new ATOM 0 HE1 HIS A 60 0.951 6.549 2.329 1.00 0.00 H new ATOM 756 N GLN A 61 -3.089 4.280 -3.746 1.00 0.00 N ATOM 757 CA GLN A 61 -4.241 3.806 -4.506 1.00 0.00 C ATOM 758 C GLN A 61 -4.056 2.328 -4.819 1.00 0.00 C ATOM 759 O GLN A 61 -4.908 1.504 -4.486 1.00 0.00 O ATOM 760 CB GLN A 61 -4.410 4.613 -5.797 1.00 0.00 C ATOM 761 CG GLN A 61 -5.262 5.860 -5.629 1.00 0.00 C ATOM 762 CD GLN A 61 -5.117 6.831 -6.786 1.00 0.00 C ATOM 763 OE1 GLN A 61 -4.838 6.436 -7.919 1.00 0.00 O ATOM 764 NE2 GLN A 61 -5.322 8.110 -6.516 1.00 0.00 N ATOM 0 H GLN A 61 -2.461 4.890 -4.269 1.00 0.00 H new ATOM 0 HA GLN A 61 -5.144 3.941 -3.911 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -3.426 4.903 -6.166 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -4.860 3.975 -6.558 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -6.308 5.570 -5.533 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -4.984 6.362 -4.702 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -5.551 8.400 -5.565 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -5.251 8.806 -7.258 1.00 0.00 H new ATOM 773 N LYS A 62 -2.955 2.032 -5.509 1.00 0.00 N ATOM 774 CA LYS A 62 -2.567 0.663 -5.859 1.00 0.00 C ATOM 775 C LYS A 62 -2.864 -0.312 -4.715 1.00 0.00 C ATOM 776 O LYS A 62 -3.432 -1.379 -4.935 1.00 0.00 O ATOM 777 CB LYS A 62 -1.075 0.622 -6.206 1.00 0.00 C ATOM 778 CG LYS A 62 -0.642 -0.644 -6.932 1.00 0.00 C ATOM 779 CD LYS A 62 0.866 -0.677 -7.149 1.00 0.00 C ATOM 780 CE LYS A 62 1.294 -1.892 -7.962 1.00 0.00 C ATOM 781 NZ LYS A 62 2.771 -2.065 -7.977 1.00 0.00 N ATOM 0 H LYS A 62 -2.301 2.740 -5.844 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.154 0.354 -6.724 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.833 1.485 -6.826 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.496 0.718 -5.287 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.947 -1.517 -6.355 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.150 -0.704 -7.894 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.179 0.232 -7.662 1.00 0.00 H new ATOM 0 HD3 LYS A 62 1.372 -0.689 -6.184 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.829 -2.787 -7.548 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.931 -1.789 -8.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.003 -3.077 -7.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.157 -1.679 -8.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.188 -1.561 -7.169 1.00 0.00 H new ATOM 795 N ARG A 63 -2.466 0.062 -3.500 1.00 0.00 N ATOM 796 CA ARG A 63 -2.700 -0.765 -2.317 1.00 0.00 C ATOM 797 C ARG A 63 -4.192 -1.014 -2.101 1.00 0.00 C ATOM 798 O ARG A 63 -4.633 -2.159 -2.009 1.00 0.00 O ATOM 799 CB ARG A 63 -2.101 -0.099 -1.077 1.00 0.00 C ATOM 800 CG ARG A 63 -0.856 -0.794 -0.553 1.00 0.00 C ATOM 801 CD ARG A 63 0.313 -0.638 -1.511 1.00 0.00 C ATOM 802 NE ARG A 63 0.689 -1.908 -2.137 1.00 0.00 N ATOM 803 CZ ARG A 63 1.534 -2.009 -3.165 1.00 0.00 C ATOM 804 NH1 ARG A 63 2.052 -0.917 -3.709 1.00 0.00 N ATOM 805 NH2 ARG A 63 1.859 -3.200 -3.655 1.00 0.00 N ATOM 0 H ARG A 63 -1.978 0.937 -3.309 1.00 0.00 H new ATOM 0 HA ARG A 63 -2.213 -1.726 -2.481 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -1.856 0.936 -1.314 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -2.853 -0.076 -0.288 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.589 -0.380 0.419 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -1.065 -1.853 -0.402 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.052 0.084 -2.285 1.00 0.00 H new ATOM 0 HD3 ARG A 63 1.170 -0.232 -0.973 1.00 0.00 H new ATOM 0 HE ARG A 63 0.281 -2.766 -1.765 1.00 0.00 H new ATOM 0 HH11 ARG A 63 1.805 0.002 -3.342 1.00 0.00 H new ATOM 0 HH12 ARG A 63 2.698 -0.996 -4.495 1.00 0.00 H new ATOM 0 HH21 ARG A 63 1.462 -4.046 -3.245 1.00 0.00 H new ATOM 0 HH22 ARG A 63 2.506 -3.269 -4.441 1.00 0.00 H new ATOM 819 N ILE A 64 -4.955 0.068 -2.016 1.00 0.00 N ATOM 820 CA ILE A 64 -6.401 -0.015 -1.812 1.00 0.00 C ATOM 821 C ILE A 64 -7.077 -0.853 -2.901 1.00 0.00 C ATOM 822 O ILE A 64 -7.923 -1.698 -2.609 1.00 0.00 O ATOM 823 CB ILE A 64 -7.044 1.388 -1.768 1.00 0.00 C ATOM 824 CG1 ILE A 64 -6.387 2.234 -0.673 1.00 0.00 C ATOM 825 CG2 ILE A 64 -8.549 1.289 -1.539 1.00 0.00 C ATOM 826 CD1 ILE A 64 -6.817 3.686 -0.685 1.00 0.00 C ATOM 0 H ILE A 64 -4.597 1.020 -2.085 1.00 0.00 H new ATOM 0 HA ILE A 64 -6.554 -0.504 -0.850 1.00 0.00 H new ATOM 0 HB ILE A 64 -6.882 1.873 -2.731 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -6.625 1.802 0.299 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -5.304 2.184 -0.788 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -8.980 2.290 -1.512 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -9.004 0.720 -2.350 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.740 0.786 -0.591 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -6.311 4.222 0.118 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -6.555 4.135 -1.643 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -7.895 3.747 -0.539 1.00 0.00 H new ATOM 838 N ALA A 65 -6.688 -0.627 -4.152 1.00 0.00 N ATOM 839 CA ALA A 65 -7.256 -1.365 -5.279 1.00 0.00 C ATOM 840 C ALA A 65 -6.919 -2.850 -5.181 1.00 0.00 C ATOM 841 O ALA A 65 -7.743 -3.710 -5.495 1.00 0.00 O ATOM 842 CB ALA A 65 -6.750 -0.786 -6.591 1.00 0.00 C ATOM 0 H ALA A 65 -5.982 0.061 -4.413 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.341 -1.264 -5.247 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -7.179 -1.343 -7.424 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -7.045 0.261 -6.664 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -5.663 -0.860 -6.626 1.00 0.00 H new ATOM 848 N TYR A 66 -5.701 -3.133 -4.737 1.00 0.00 N ATOM 849 CA TYR A 66 -5.222 -4.501 -4.565 1.00 0.00 C ATOM 850 C TYR A 66 -6.142 -5.261 -3.610 1.00 0.00 C ATOM 851 O TYR A 66 -6.616 -6.356 -3.921 1.00 0.00 O ATOM 852 CB TYR A 66 -3.772 -4.454 -4.047 1.00 0.00 C ATOM 853 CG TYR A 66 -3.263 -5.711 -3.369 1.00 0.00 C ATOM 854 CD1 TYR A 66 -2.802 -6.793 -4.109 1.00 0.00 C ATOM 855 CD2 TYR A 66 -3.208 -5.793 -1.983 1.00 0.00 C ATOM 856 CE1 TYR A 66 -2.302 -7.921 -3.484 1.00 0.00 C ATOM 857 CE2 TYR A 66 -2.717 -6.917 -1.354 1.00 0.00 C ATOM 858 CZ TYR A 66 -2.263 -7.978 -2.107 1.00 0.00 C ATOM 859 OH TYR A 66 -1.752 -9.090 -1.481 1.00 0.00 O ATOM 0 H TYR A 66 -5.016 -2.421 -4.485 1.00 0.00 H new ATOM 0 HA TYR A 66 -5.235 -5.032 -5.517 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -3.115 -4.228 -4.887 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -3.686 -3.626 -3.343 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -2.835 -6.753 -5.188 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -3.556 -4.962 -1.388 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -1.944 -8.753 -4.072 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -2.688 -6.966 -0.275 1.00 0.00 H new ATOM 0 HH TYR A 66 -0.780 -9.000 -1.397 1.00 0.00 H new ATOM 869 N SER A 67 -6.398 -4.667 -2.454 1.00 0.00 N ATOM 870 CA SER A 67 -7.274 -5.265 -1.456 1.00 0.00 C ATOM 871 C SER A 67 -8.728 -5.317 -1.934 1.00 0.00 C ATOM 872 O SER A 67 -9.496 -6.180 -1.502 1.00 0.00 O ATOM 873 CB SER A 67 -7.164 -4.497 -0.141 1.00 0.00 C ATOM 874 OG SER A 67 -5.813 -4.411 0.266 1.00 0.00 O ATOM 0 H SER A 67 -6.008 -3.764 -2.182 1.00 0.00 H new ATOM 0 HA SER A 67 -6.951 -6.294 -1.297 1.00 0.00 H new ATOM 0 HB2 SER A 67 -7.579 -3.496 -0.261 1.00 0.00 H new ATOM 0 HB3 SER A 67 -7.752 -4.996 0.630 1.00 0.00 H new ATOM 0 HG SER A 67 -5.735 -4.690 1.202 1.00 0.00 H new ATOM 880 N LEU A 68 -9.107 -4.401 -2.820 1.00 0.00 N ATOM 881 CA LEU A 68 -10.467 -4.371 -3.348 1.00 0.00 C ATOM 882 C LEU A 68 -10.752 -5.610 -4.184 1.00 0.00 C ATOM 883 O LEU A 68 -11.879 -6.112 -4.201 1.00 0.00 O ATOM 884 CB LEU A 68 -10.695 -3.117 -4.196 1.00 0.00 C ATOM 885 CG LEU A 68 -11.226 -1.901 -3.437 1.00 0.00 C ATOM 886 CD1 LEU A 68 -11.170 -0.659 -4.314 1.00 0.00 C ATOM 887 CD2 LEU A 68 -12.648 -2.153 -2.962 1.00 0.00 C ATOM 0 H LEU A 68 -8.494 -3.672 -3.186 1.00 0.00 H new ATOM 0 HA LEU A 68 -11.150 -4.353 -2.498 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -9.753 -2.844 -4.672 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -11.396 -3.361 -4.994 1.00 0.00 H new ATOM 0 HG LEU A 68 -10.594 -1.735 -2.565 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -11.552 0.197 -3.757 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -10.138 -0.469 -4.610 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -11.780 -0.814 -5.204 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -13.012 -1.278 -2.423 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -13.290 -2.343 -3.822 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -12.662 -3.019 -2.300 1.00 0.00 H new ATOM 899 N LEU A 69 -9.726 -6.098 -4.876 1.00 0.00 N ATOM 900 CA LEU A 69 -9.860 -7.285 -5.710 1.00 0.00 C ATOM 901 C LEU A 69 -10.305 -8.469 -4.861 1.00 0.00 C ATOM 902 O LEU A 69 -11.170 -9.246 -5.265 1.00 0.00 O ATOM 903 CB LEU A 69 -8.533 -7.612 -6.405 1.00 0.00 C ATOM 904 CG LEU A 69 -7.930 -6.477 -7.238 1.00 0.00 C ATOM 905 CD1 LEU A 69 -6.543 -6.862 -7.732 1.00 0.00 C ATOM 906 CD2 LEU A 69 -8.833 -6.130 -8.414 1.00 0.00 C ATOM 0 H LEU A 69 -8.792 -5.688 -4.874 1.00 0.00 H new ATOM 0 HA LEU A 69 -10.612 -7.087 -6.474 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.808 -7.908 -5.646 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.685 -8.475 -7.054 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.843 -5.596 -6.602 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.127 -6.045 -8.322 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.895 -7.059 -6.878 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.612 -7.758 -8.350 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.384 -5.321 -8.991 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.954 -7.006 -9.051 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.808 -5.813 -8.043 1.00 0.00 H new ATOM 918 N GLY A 70 -9.725 -8.579 -3.669 1.00 0.00 N ATOM 919 CA GLY A 70 -10.070 -9.660 -2.770 1.00 0.00 C ATOM 920 C GLY A 70 -11.511 -9.575 -2.313 1.00 0.00 C ATOM 921 O GLY A 70 -12.205 -10.583 -2.250 1.00 0.00 O ATOM 0 H GLY A 70 -9.020 -7.935 -3.311 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -9.903 -10.615 -3.269 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -9.412 -9.635 -1.902 1.00 0.00 H new ATOM 925 N LEU A 71 -11.962 -8.363 -2.006 1.00 0.00 N ATOM 926 CA LEU A 71 -13.333 -8.143 -1.556 1.00 0.00 C ATOM 927 C LEU A 71 -14.344 -8.585 -2.610 1.00 0.00 C ATOM 928 O LEU A 71 -15.343 -9.235 -2.291 1.00 0.00 O ATOM 929 CB LEU A 71 -13.559 -6.668 -1.216 1.00 0.00 C ATOM 930 CG LEU A 71 -13.396 -6.298 0.262 1.00 0.00 C ATOM 931 CD1 LEU A 71 -13.939 -4.902 0.521 1.00 0.00 C ATOM 932 CD2 LEU A 71 -14.090 -7.316 1.160 1.00 0.00 C ATOM 0 H LEU A 71 -11.397 -7.516 -2.061 1.00 0.00 H new ATOM 0 HA LEU A 71 -13.482 -8.746 -0.660 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -12.863 -6.068 -1.801 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -14.564 -6.390 -1.533 1.00 0.00 H new ATOM 0 HG LEU A 71 -12.332 -6.309 0.500 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -13.816 -4.654 1.575 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -13.394 -4.181 -0.088 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -14.997 -4.869 0.262 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -13.959 -7.030 2.204 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -15.153 -7.345 0.923 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -13.654 -8.302 0.997 1.00 0.00 H new ATOM 944 N LYS A 72 -14.084 -8.241 -3.867 1.00 0.00 N ATOM 945 CA LYS A 72 -14.983 -8.613 -4.950 1.00 0.00 C ATOM 946 C LYS A 72 -14.953 -10.123 -5.165 1.00 0.00 C ATOM 947 O LYS A 72 -15.988 -10.748 -5.389 1.00 0.00 O ATOM 948 CB LYS A 72 -14.619 -7.869 -6.238 1.00 0.00 C ATOM 949 CG LYS A 72 -14.790 -6.360 -6.124 1.00 0.00 C ATOM 950 CD LYS A 72 -14.854 -5.693 -7.489 1.00 0.00 C ATOM 951 CE LYS A 72 -14.982 -4.179 -7.361 1.00 0.00 C ATOM 952 NZ LYS A 72 -15.140 -3.513 -8.683 1.00 0.00 N ATOM 0 H LYS A 72 -13.264 -7.709 -4.158 1.00 0.00 H new ATOM 0 HA LYS A 72 -15.997 -8.325 -4.674 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -13.585 -8.093 -6.500 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -15.242 -8.239 -7.053 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -15.701 -6.139 -5.568 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -13.960 -5.942 -5.554 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -13.957 -5.937 -8.058 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -15.703 -6.086 -8.048 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -15.839 -3.941 -6.732 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -14.099 -3.783 -6.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -15.223 -2.485 -8.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -14.310 -3.717 -9.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -15.997 -3.870 -9.152 1.00 0.00 H new ATOM 966 N ASP A 73 -13.765 -10.707 -5.092 1.00 0.00 N ATOM 967 CA ASP A 73 -13.612 -12.150 -5.247 1.00 0.00 C ATOM 968 C ASP A 73 -14.326 -12.880 -4.108 1.00 0.00 C ATOM 969 O ASP A 73 -15.022 -13.872 -4.328 1.00 0.00 O ATOM 970 CB ASP A 73 -12.125 -12.521 -5.272 1.00 0.00 C ATOM 971 CG ASP A 73 -11.887 -14.015 -5.164 1.00 0.00 C ATOM 972 OD1 ASP A 73 -12.280 -14.756 -6.087 1.00 0.00 O ATOM 973 OD2 ASP A 73 -11.293 -14.452 -4.158 1.00 0.00 O ATOM 0 H ASP A 73 -12.892 -10.205 -4.927 1.00 0.00 H new ATOM 0 HA ASP A 73 -14.063 -12.455 -6.191 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -11.680 -12.153 -6.196 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -11.616 -12.017 -4.450 1.00 0.00 H new ATOM 978 N GLN A 74 -14.174 -12.351 -2.897 1.00 0.00 N ATOM 979 CA GLN A 74 -14.797 -12.922 -1.706 1.00 0.00 C ATOM 980 C GLN A 74 -16.317 -12.980 -1.839 1.00 0.00 C ATOM 981 O GLN A 74 -16.932 -14.002 -1.536 1.00 0.00 O ATOM 982 CB GLN A 74 -14.434 -12.107 -0.462 1.00 0.00 C ATOM 983 CG GLN A 74 -13.084 -12.466 0.141 1.00 0.00 C ATOM 984 CD GLN A 74 -13.096 -13.797 0.865 1.00 0.00 C ATOM 985 OE1 GLN A 74 -13.725 -14.760 0.425 1.00 0.00 O ATOM 986 NE2 GLN A 74 -12.415 -13.855 1.997 1.00 0.00 N ATOM 0 H GLN A 74 -13.617 -11.516 -2.714 1.00 0.00 H new ATOM 0 HA GLN A 74 -14.416 -13.938 -1.603 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -14.435 -11.048 -0.721 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -15.207 -12.251 0.293 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -12.335 -12.495 -0.650 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -12.783 -11.683 0.836 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -11.906 -13.036 2.329 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -12.398 -14.719 2.538 1.00 0.00 H new ATOM 995 N VAL A 75 -16.916 -11.893 -2.316 1.00 0.00 N ATOM 996 CA VAL A 75 -18.371 -11.833 -2.469 1.00 0.00 C ATOM 997 C VAL A 75 -18.846 -12.727 -3.620 1.00 0.00 C ATOM 998 O VAL A 75 -20.043 -12.959 -3.789 1.00 0.00 O ATOM 999 CB VAL A 75 -18.867 -10.379 -2.677 1.00 0.00 C ATOM 1000 CG1 VAL A 75 -18.735 -9.939 -4.130 1.00 0.00 C ATOM 1001 CG2 VAL A 75 -20.303 -10.232 -2.195 1.00 0.00 C ATOM 0 H VAL A 75 -16.424 -11.047 -2.602 1.00 0.00 H new ATOM 0 HA VAL A 75 -18.804 -12.206 -1.541 1.00 0.00 H new ATOM 0 HB VAL A 75 -18.231 -9.724 -2.082 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -19.093 -8.915 -4.234 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -17.689 -9.990 -4.432 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -19.328 -10.597 -4.765 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -20.635 -9.205 -2.348 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -20.946 -10.909 -2.757 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -20.357 -10.476 -1.134 1.00 0.00 H new ATOM 1011 N ASN A 76 -17.904 -13.225 -4.411 1.00 0.00 N ATOM 1012 CA ASN A 76 -18.235 -14.102 -5.526 1.00 0.00 C ATOM 1013 C ASN A 76 -17.986 -15.552 -5.149 1.00 0.00 C ATOM 1014 O ASN A 76 -18.321 -16.467 -5.899 1.00 0.00 O ATOM 1015 CB ASN A 76 -17.436 -13.735 -6.777 1.00 0.00 C ATOM 1016 CG ASN A 76 -18.114 -12.645 -7.583 1.00 0.00 C ATOM 1017 OD1 ASN A 76 -19.012 -12.914 -8.379 1.00 0.00 O ATOM 1018 ND2 ASN A 76 -17.703 -11.407 -7.373 1.00 0.00 N ATOM 0 H ASN A 76 -16.907 -13.037 -4.301 1.00 0.00 H new ATOM 0 HA ASN A 76 -19.293 -13.972 -5.752 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -16.439 -13.404 -6.486 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -17.309 -14.621 -7.399 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -18.134 -10.634 -7.880 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -16.955 -11.225 -6.704 1.00 0.00 H new ATOM 1025 N THR A 77 -17.399 -15.754 -3.982 1.00 0.00 N ATOM 1026 CA THR A 77 -17.119 -17.090 -3.498 1.00 0.00 C ATOM 1027 C THR A 77 -18.292 -17.594 -2.661 1.00 0.00 C ATOM 1028 O THR A 77 -18.745 -16.917 -1.732 1.00 0.00 O ATOM 1029 CB THR A 77 -15.820 -17.126 -2.665 1.00 0.00 C ATOM 1030 OG1 THR A 77 -14.779 -16.403 -3.346 1.00 0.00 O ATOM 1031 CG2 THR A 77 -15.368 -18.561 -2.429 1.00 0.00 C ATOM 0 H THR A 77 -17.107 -15.006 -3.352 1.00 0.00 H new ATOM 0 HA THR A 77 -16.981 -17.741 -4.361 1.00 0.00 H new ATOM 0 HB THR A 77 -16.021 -16.658 -1.701 1.00 0.00 H new ATOM 0 HG1 THR A 77 -15.051 -15.469 -3.461 1.00 0.00 H new ATOM 0 HG21 THR A 77 -14.451 -18.561 -1.840 1.00 0.00 H new ATOM 0 HG22 THR A 77 -16.145 -19.103 -1.891 1.00 0.00 H new ATOM 0 HG23 THR A 77 -15.184 -19.047 -3.387 1.00 0.00 H new ATOM 1064 N MET B 29 10.306 3.880 9.092 1.00 0.00 N ATOM 1065 CA MET B 29 11.146 2.703 8.963 1.00 0.00 C ATOM 1066 C MET B 29 12.590 3.100 8.674 1.00 0.00 C ATOM 1067 O MET B 29 13.339 2.344 8.057 1.00 0.00 O ATOM 1068 CB MET B 29 10.615 1.783 7.859 1.00 0.00 C ATOM 1069 CG MET B 29 10.444 2.467 6.515 1.00 0.00 C ATOM 1070 SD MET B 29 9.764 1.367 5.261 1.00 0.00 S ATOM 1071 CE MET B 29 9.572 2.504 3.892 1.00 0.00 C ATOM 0 HA MET B 29 11.121 2.161 9.909 1.00 0.00 H new ATOM 0 HB2 MET B 29 11.297 0.941 7.742 1.00 0.00 H new ATOM 0 HB3 MET B 29 9.654 1.374 8.172 1.00 0.00 H new ATOM 0 HG2 MET B 29 9.788 3.330 6.631 1.00 0.00 H new ATOM 0 HG3 MET B 29 11.409 2.844 6.178 1.00 0.00 H new ATOM 0 HE1 MET B 29 9.159 1.974 3.034 1.00 0.00 H new ATOM 0 HE2 MET B 29 8.897 3.310 4.180 1.00 0.00 H new ATOM 0 HE3 MET B 29 10.543 2.922 3.627 1.00 0.00 H new ATOM 1081 N SER B 30 12.975 4.293 9.114 1.00 0.00 N ATOM 1082 CA SER B 30 14.332 4.779 8.919 1.00 0.00 C ATOM 1083 C SER B 30 15.326 3.830 9.585 1.00 0.00 C ATOM 1084 O SER B 30 16.281 3.381 8.955 1.00 0.00 O ATOM 1085 CB SER B 30 14.460 6.188 9.498 1.00 0.00 C ATOM 1086 OG SER B 30 13.219 6.868 9.428 1.00 0.00 O ATOM 0 H SER B 30 12.363 4.941 9.609 1.00 0.00 H new ATOM 0 HA SER B 30 14.555 4.817 7.853 1.00 0.00 H new ATOM 0 HB2 SER B 30 14.793 6.133 10.534 1.00 0.00 H new ATOM 0 HB3 SER B 30 15.218 6.746 8.949 1.00 0.00 H new ATOM 0 HG SER B 30 13.057 7.160 8.506 1.00 0.00 H new ATOM 1092 N ALA B 31 15.097 3.558 10.871 1.00 0.00 N ATOM 1093 CA ALA B 31 15.935 2.629 11.633 1.00 0.00 C ATOM 1094 C ALA B 31 16.038 1.282 10.918 1.00 0.00 C ATOM 1095 O ALA B 31 17.085 0.635 10.931 1.00 0.00 O ATOM 1096 CB ALA B 31 15.384 2.443 13.040 1.00 0.00 C ATOM 0 H ALA B 31 14.335 3.970 11.409 1.00 0.00 H new ATOM 0 HA ALA B 31 16.935 3.055 11.707 1.00 0.00 H new ATOM 0 HB1 ALA B 31 16.020 1.750 13.591 1.00 0.00 H new ATOM 0 HB2 ALA B 31 15.365 3.404 13.553 1.00 0.00 H new ATOM 0 HB3 ALA B 31 14.372 2.042 12.984 1.00 0.00 H new ATOM 1102 N TRP B 32 14.941 0.880 10.291 1.00 0.00 N ATOM 1103 CA TRP B 32 14.883 -0.368 9.544 1.00 0.00 C ATOM 1104 C TRP B 32 15.800 -0.277 8.327 1.00 0.00 C ATOM 1105 O TRP B 32 16.661 -1.129 8.106 1.00 0.00 O ATOM 1106 CB TRP B 32 13.440 -0.624 9.105 1.00 0.00 C ATOM 1107 CG TRP B 32 13.148 -2.041 8.718 1.00 0.00 C ATOM 1108 CD1 TRP B 32 12.738 -3.044 9.544 1.00 0.00 C ATOM 1109 CD2 TRP B 32 13.224 -2.607 7.403 1.00 0.00 C ATOM 1110 NE1 TRP B 32 12.549 -4.198 8.826 1.00 0.00 N ATOM 1111 CE2 TRP B 32 12.844 -3.957 7.509 1.00 0.00 C ATOM 1112 CE3 TRP B 32 13.576 -2.104 6.149 1.00 0.00 C ATOM 1113 CZ2 TRP B 32 12.804 -4.808 6.408 1.00 0.00 C ATOM 1114 CZ3 TRP B 32 13.537 -2.950 5.056 1.00 0.00 C ATOM 1115 CH2 TRP B 32 13.154 -4.290 5.192 1.00 0.00 C ATOM 0 H TRP B 32 14.069 1.409 10.286 1.00 0.00 H new ATOM 0 HA TRP B 32 15.216 -1.194 10.173 1.00 0.00 H new ATOM 0 HB2 TRP B 32 12.771 -0.338 9.917 1.00 0.00 H new ATOM 0 HB3 TRP B 32 13.211 0.024 8.259 1.00 0.00 H new ATOM 0 HD1 TRP B 32 12.584 -2.945 10.608 1.00 0.00 H new ATOM 0 HE1 TRP B 32 12.239 -5.091 9.210 1.00 0.00 H new ATOM 0 HE3 TRP B 32 13.874 -1.072 6.035 1.00 0.00 H new ATOM 0 HZ2 TRP B 32 12.507 -5.841 6.511 1.00 0.00 H new ATOM 0 HZ3 TRP B 32 13.806 -2.571 4.081 1.00 0.00 H new ATOM 0 HH2 TRP B 32 13.135 -4.927 4.320 1.00 0.00 H new ATOM 1126 N LEU B 33 15.631 0.794 7.561 1.00 0.00 N ATOM 1127 CA LEU B 33 16.436 1.037 6.371 1.00 0.00 C ATOM 1128 C LEU B 33 17.757 1.700 6.743 1.00 0.00 C ATOM 1129 O LEU B 33 18.331 2.449 5.951 1.00 0.00 O ATOM 1130 CB LEU B 33 15.681 1.943 5.394 1.00 0.00 C ATOM 1131 CG LEU B 33 14.520 1.293 4.643 1.00 0.00 C ATOM 1132 CD1 LEU B 33 13.738 2.344 3.873 1.00 0.00 C ATOM 1133 CD2 LEU B 33 15.034 0.219 3.695 1.00 0.00 C ATOM 0 H LEU B 33 14.935 1.516 7.747 1.00 0.00 H new ATOM 0 HA LEU B 33 16.636 0.075 5.898 1.00 0.00 H new ATOM 0 HB2 LEU B 33 15.296 2.800 5.947 1.00 0.00 H new ATOM 0 HB3 LEU B 33 16.392 2.328 4.663 1.00 0.00 H new ATOM 0 HG LEU B 33 13.856 0.825 5.370 1.00 0.00 H new ATOM 0 HD11 LEU B 33 12.914 1.868 3.342 1.00 0.00 H new ATOM 0 HD12 LEU B 33 13.343 3.085 4.568 1.00 0.00 H new ATOM 0 HD13 LEU B 33 14.396 2.834 3.156 1.00 0.00 H new ATOM 0 HD21 LEU B 33 14.194 -0.234 3.168 1.00 0.00 H new ATOM 0 HD22 LEU B 33 15.716 0.667 2.973 1.00 0.00 H new ATOM 0 HD23 LEU B 33 15.561 -0.547 4.264 1.00 0.00 H new ATOM 1145 N ARG B 34 18.268 1.392 7.927 1.00 0.00 N ATOM 1146 CA ARG B 34 19.506 1.983 8.399 1.00 0.00 C ATOM 1147 C ARG B 34 20.584 0.916 8.446 1.00 0.00 C ATOM 1148 O ARG B 34 21.723 1.176 8.826 1.00 0.00 O ATOM 1149 CB ARG B 34 19.307 2.585 9.793 1.00 0.00 C ATOM 1150 CG ARG B 34 20.221 3.759 10.093 1.00 0.00 C ATOM 1151 CD ARG B 34 19.712 5.034 9.446 1.00 0.00 C ATOM 1152 NE ARG B 34 18.776 5.751 10.310 1.00 0.00 N ATOM 1153 CZ ARG B 34 18.546 7.062 10.228 1.00 0.00 C ATOM 1154 NH1 ARG B 34 19.138 7.783 9.285 1.00 0.00 N ATOM 1155 NH2 ARG B 34 17.712 7.646 11.079 1.00 0.00 N ATOM 0 H ARG B 34 17.840 0.734 8.578 1.00 0.00 H new ATOM 0 HA ARG B 34 19.808 2.778 7.717 1.00 0.00 H new ATOM 0 HB2 ARG B 34 18.271 2.909 9.893 1.00 0.00 H new ATOM 0 HB3 ARG B 34 19.472 1.809 10.540 1.00 0.00 H new ATOM 0 HG2 ARG B 34 20.293 3.900 11.171 1.00 0.00 H new ATOM 0 HG3 ARG B 34 21.226 3.542 9.732 1.00 0.00 H new ATOM 0 HD2 ARG B 34 20.556 5.682 9.209 1.00 0.00 H new ATOM 0 HD3 ARG B 34 19.222 4.791 8.503 1.00 0.00 H new ATOM 0 HE ARG B 34 18.269 5.218 11.017 1.00 0.00 H new ATOM 0 HH11 ARG B 34 19.770 7.335 8.622 1.00 0.00 H new ATOM 0 HH12 ARG B 34 18.961 8.786 9.223 1.00 0.00 H new ATOM 0 HH21 ARG B 34 17.246 7.092 11.797 1.00 0.00 H new ATOM 0 HH22 ARG B 34 17.537 8.649 11.015 1.00 0.00 H new ATOM 1169 N ALA B 35 20.218 -0.287 8.019 1.00 0.00 N ATOM 1170 CA ALA B 35 21.137 -1.413 8.016 1.00 0.00 C ATOM 1171 C ALA B 35 21.855 -1.497 6.681 1.00 0.00 C ATOM 1172 O ALA B 35 22.880 -2.165 6.547 1.00 0.00 O ATOM 1173 CB ALA B 35 20.387 -2.709 8.304 1.00 0.00 C ATOM 0 H ALA B 35 19.285 -0.506 7.669 1.00 0.00 H new ATOM 0 HA ALA B 35 21.879 -1.264 8.800 1.00 0.00 H new ATOM 0 HB1 ALA B 35 21.088 -3.544 8.299 1.00 0.00 H new ATOM 0 HB2 ALA B 35 19.909 -2.643 9.281 1.00 0.00 H new ATOM 0 HB3 ALA B 35 19.628 -2.868 7.538 1.00 0.00 H new ATOM 1179 N ILE B 36 21.316 -0.791 5.695 1.00 0.00 N ATOM 1180 CA ILE B 36 21.891 -0.768 4.358 1.00 0.00 C ATOM 1181 C ILE B 36 22.017 0.670 3.865 1.00 0.00 C ATOM 1182 O ILE B 36 22.222 0.912 2.678 1.00 0.00 O ATOM 1183 CB ILE B 36 21.035 -1.569 3.354 1.00 0.00 C ATOM 1184 CG1 ILE B 36 19.558 -1.175 3.471 1.00 0.00 C ATOM 1185 CG2 ILE B 36 21.212 -3.063 3.585 1.00 0.00 C ATOM 1186 CD1 ILE B 36 18.709 -1.643 2.307 1.00 0.00 C ATOM 0 H ILE B 36 20.475 -0.223 5.799 1.00 0.00 H new ATOM 0 HA ILE B 36 22.876 -1.231 4.421 1.00 0.00 H new ATOM 0 HB ILE B 36 21.371 -1.333 2.344 1.00 0.00 H new ATOM 0 HG12 ILE B 36 19.153 -1.589 4.394 1.00 0.00 H new ATOM 0 HG13 ILE B 36 19.486 -0.090 3.549 1.00 0.00 H new ATOM 0 HG21 ILE B 36 20.603 -3.616 2.870 1.00 0.00 H new ATOM 0 HG22 ILE B 36 22.260 -3.330 3.452 1.00 0.00 H new ATOM 0 HG23 ILE B 36 20.900 -3.314 4.599 1.00 0.00 H new ATOM 0 HD11 ILE B 36 17.677 -1.328 2.460 1.00 0.00 H new ATOM 0 HD12 ILE B 36 19.088 -1.208 1.382 1.00 0.00 H new ATOM 0 HD13 ILE B 36 18.750 -2.730 2.241 1.00 0.00 H new ATOM 1198 N GLY B 37 21.915 1.608 4.810 1.00 0.00 N ATOM 1199 CA GLY B 37 22.002 3.027 4.494 1.00 0.00 C ATOM 1200 C GLY B 37 21.096 3.446 3.348 1.00 0.00 C ATOM 1201 O GLY B 37 21.553 4.072 2.392 1.00 0.00 O ATOM 0 H GLY B 37 21.772 1.405 5.799 1.00 0.00 H new ATOM 0 HA2 GLY B 37 21.745 3.606 5.381 1.00 0.00 H new ATOM 0 HA3 GLY B 37 23.033 3.273 4.241 1.00 0.00 H new ATOM 1205 N LEU B 38 19.814 3.121 3.443 1.00 0.00 N ATOM 1206 CA LEU B 38 18.872 3.466 2.385 1.00 0.00 C ATOM 1207 C LEU B 38 17.721 4.308 2.927 1.00 0.00 C ATOM 1208 O LEU B 38 16.687 4.454 2.274 1.00 0.00 O ATOM 1209 CB LEU B 38 18.329 2.199 1.718 1.00 0.00 C ATOM 1210 CG LEU B 38 18.611 2.087 0.217 1.00 0.00 C ATOM 1211 CD1 LEU B 38 20.067 1.720 -0.028 1.00 0.00 C ATOM 1212 CD2 LEU B 38 17.687 1.065 -0.426 1.00 0.00 C ATOM 0 H LEU B 38 19.404 2.624 4.234 1.00 0.00 H new ATOM 0 HA LEU B 38 19.406 4.057 1.641 1.00 0.00 H new ATOM 0 HB2 LEU B 38 18.757 1.331 2.219 1.00 0.00 H new ATOM 0 HB3 LEU B 38 17.251 2.158 1.874 1.00 0.00 H new ATOM 0 HG LEU B 38 18.420 3.058 -0.241 1.00 0.00 H new ATOM 0 HD11 LEU B 38 20.248 1.645 -1.100 1.00 0.00 H new ATOM 0 HD12 LEU B 38 20.712 2.489 0.396 1.00 0.00 H new ATOM 0 HD13 LEU B 38 20.285 0.762 0.445 1.00 0.00 H new ATOM 0 HD21 LEU B 38 17.903 1.000 -1.492 1.00 0.00 H new ATOM 0 HD22 LEU B 38 17.844 0.091 0.036 1.00 0.00 H new ATOM 0 HD23 LEU B 38 16.651 1.371 -0.284 1.00 0.00 H new ATOM 1224 N GLU B 39 17.912 4.864 4.121 1.00 0.00 N ATOM 1225 CA GLU B 39 16.900 5.702 4.766 1.00 0.00 C ATOM 1226 C GLU B 39 16.510 6.897 3.889 1.00 0.00 C ATOM 1227 O GLU B 39 15.438 7.478 4.059 1.00 0.00 O ATOM 1228 CB GLU B 39 17.405 6.201 6.124 1.00 0.00 C ATOM 1229 CG GLU B 39 18.547 7.204 6.031 1.00 0.00 C ATOM 1230 CD GLU B 39 19.913 6.562 6.148 1.00 0.00 C ATOM 1231 OE1 GLU B 39 20.304 5.810 5.234 1.00 0.00 O ATOM 1232 OE2 GLU B 39 20.607 6.816 7.155 1.00 0.00 O ATOM 0 H GLU B 39 18.766 4.749 4.667 1.00 0.00 H new ATOM 0 HA GLU B 39 16.013 5.086 4.913 1.00 0.00 H new ATOM 0 HB2 GLU B 39 16.575 6.660 6.662 1.00 0.00 H new ATOM 0 HB3 GLU B 39 17.734 5.346 6.714 1.00 0.00 H new ATOM 0 HG2 GLU B 39 18.481 7.733 5.080 1.00 0.00 H new ATOM 0 HG3 GLU B 39 18.434 7.949 6.819 1.00 0.00 H new ATOM 1239 N ARG B 40 17.374 7.240 2.942 1.00 0.00 N ATOM 1240 CA ARG B 40 17.126 8.365 2.040 1.00 0.00 C ATOM 1241 C ARG B 40 15.996 8.045 1.065 1.00 0.00 C ATOM 1242 O ARG B 40 15.468 8.935 0.402 1.00 0.00 O ATOM 1243 CB ARG B 40 18.389 8.720 1.252 1.00 0.00 C ATOM 1244 CG ARG B 40 19.645 8.810 2.103 1.00 0.00 C ATOM 1245 CD ARG B 40 20.789 9.460 1.341 1.00 0.00 C ATOM 1246 NE ARG B 40 20.901 8.953 -0.029 1.00 0.00 N ATOM 1247 CZ ARG B 40 22.032 8.499 -0.573 1.00 0.00 C ATOM 1248 NH1 ARG B 40 23.157 8.474 0.134 1.00 0.00 N ATOM 1249 NH2 ARG B 40 22.032 8.074 -1.832 1.00 0.00 N ATOM 0 H ARG B 40 18.256 6.756 2.776 1.00 0.00 H new ATOM 0 HA ARG B 40 16.835 9.218 2.654 1.00 0.00 H new ATOM 0 HB2 ARG B 40 18.542 7.971 0.475 1.00 0.00 H new ATOM 0 HB3 ARG B 40 18.234 9.675 0.749 1.00 0.00 H new ATOM 0 HG2 ARG B 40 19.434 9.385 3.005 1.00 0.00 H new ATOM 0 HG3 ARG B 40 19.941 7.811 2.423 1.00 0.00 H new ATOM 0 HD2 ARG B 40 20.639 10.539 1.316 1.00 0.00 H new ATOM 0 HD3 ARG B 40 21.725 9.280 1.871 1.00 0.00 H new ATOM 0 HE ARG B 40 20.059 8.947 -0.605 1.00 0.00 H new ATOM 0 HH11 ARG B 40 23.160 8.803 1.099 1.00 0.00 H new ATOM 0 HH12 ARG B 40 24.017 8.126 -0.289 1.00 0.00 H new ATOM 0 HH21 ARG B 40 21.170 8.096 -2.378 1.00 0.00 H new ATOM 0 HH22 ARG B 40 22.894 7.726 -2.253 1.00 0.00 H new ATOM 1263 N TYR B 41 15.630 6.772 0.978 1.00 0.00 N ATOM 1264 CA TYR B 41 14.573 6.351 0.071 1.00 0.00 C ATOM 1265 C TYR B 41 13.234 6.198 0.786 1.00 0.00 C ATOM 1266 O TYR B 41 12.195 6.145 0.132 1.00 0.00 O ATOM 1267 CB TYR B 41 14.958 5.043 -0.624 1.00 0.00 C ATOM 1268 CG TYR B 41 16.035 5.216 -1.672 1.00 0.00 C ATOM 1269 CD1 TYR B 41 17.379 5.185 -1.324 1.00 0.00 C ATOM 1270 CD2 TYR B 41 15.707 5.416 -3.007 1.00 0.00 C ATOM 1271 CE1 TYR B 41 18.366 5.346 -2.276 1.00 0.00 C ATOM 1272 CE2 TYR B 41 16.689 5.579 -3.966 1.00 0.00 C ATOM 1273 CZ TYR B 41 18.016 5.543 -3.595 1.00 0.00 C ATOM 1274 OH TYR B 41 18.998 5.706 -4.546 1.00 0.00 O ATOM 0 H TYR B 41 16.048 6.017 1.522 1.00 0.00 H new ATOM 0 HA TYR B 41 14.455 7.133 -0.679 1.00 0.00 H new ATOM 0 HB2 TYR B 41 15.301 4.329 0.125 1.00 0.00 H new ATOM 0 HB3 TYR B 41 14.072 4.614 -1.091 1.00 0.00 H new ATOM 0 HD1 TYR B 41 17.657 5.032 -0.292 1.00 0.00 H new ATOM 0 HD2 TYR B 41 14.668 5.445 -3.300 1.00 0.00 H new ATOM 0 HE1 TYR B 41 19.407 5.318 -1.989 1.00 0.00 H new ATOM 0 HE2 TYR B 41 16.418 5.734 -5.000 1.00 0.00 H new ATOM 0 HH TYR B 41 19.765 5.137 -4.326 1.00 0.00 H new ATOM 1284 N GLU B 42 13.266 6.095 2.121 1.00 0.00 N ATOM 1285 CA GLU B 42 12.048 5.963 2.935 1.00 0.00 C ATOM 1286 C GLU B 42 10.927 6.884 2.447 1.00 0.00 C ATOM 1287 O GLU B 42 9.876 6.409 2.024 1.00 0.00 O ATOM 1288 CB GLU B 42 12.367 6.261 4.406 1.00 0.00 C ATOM 1289 CG GLU B 42 11.152 6.215 5.321 1.00 0.00 C ATOM 1290 CD GLU B 42 11.469 6.618 6.749 1.00 0.00 C ATOM 1291 OE1 GLU B 42 12.328 7.502 6.953 1.00 0.00 O ATOM 1292 OE2 GLU B 42 10.853 6.052 7.677 1.00 0.00 O ATOM 0 H GLU B 42 14.129 6.101 2.665 1.00 0.00 H new ATOM 0 HA GLU B 42 11.696 4.936 2.835 1.00 0.00 H new ATOM 0 HB2 GLU B 42 13.105 5.541 4.761 1.00 0.00 H new ATOM 0 HB3 GLU B 42 12.825 7.248 4.476 1.00 0.00 H new ATOM 0 HG2 GLU B 42 10.381 6.876 4.925 1.00 0.00 H new ATOM 0 HG3 GLU B 42 10.739 5.206 5.317 1.00 0.00 H new ATOM 1299 N GLU B 43 11.150 8.191 2.567 1.00 0.00 N ATOM 1300 CA GLU B 43 10.191 9.212 2.118 1.00 0.00 C ATOM 1301 C GLU B 43 9.567 8.880 0.751 1.00 0.00 C ATOM 1302 O GLU B 43 8.368 9.084 0.546 1.00 0.00 O ATOM 1303 CB GLU B 43 10.879 10.574 2.050 1.00 0.00 C ATOM 1304 CG GLU B 43 9.955 11.702 1.625 1.00 0.00 C ATOM 1305 CD GLU B 43 10.702 12.984 1.347 1.00 0.00 C ATOM 1306 OE1 GLU B 43 11.344 13.086 0.284 1.00 0.00 O ATOM 1307 OE2 GLU B 43 10.660 13.896 2.198 1.00 0.00 O ATOM 0 H GLU B 43 12.000 8.578 2.978 1.00 0.00 H new ATOM 0 HA GLU B 43 9.381 9.233 2.847 1.00 0.00 H new ATOM 0 HB2 GLU B 43 11.299 10.809 3.028 1.00 0.00 H new ATOM 0 HB3 GLU B 43 11.713 10.516 1.351 1.00 0.00 H new ATOM 0 HG2 GLU B 43 9.408 11.402 0.731 1.00 0.00 H new ATOM 0 HG3 GLU B 43 9.216 11.877 2.407 1.00 0.00 H new ATOM 1314 N GLY B 44 10.378 8.347 -0.160 1.00 0.00 N ATOM 1315 CA GLY B 44 9.887 8.007 -1.485 1.00 0.00 C ATOM 1316 C GLY B 44 8.913 6.846 -1.444 1.00 0.00 C ATOM 1317 O GLY B 44 7.898 6.839 -2.146 1.00 0.00 O ATOM 0 H GLY B 44 11.366 8.145 -0.004 1.00 0.00 H new ATOM 0 HA2 GLY B 44 9.398 8.876 -1.925 1.00 0.00 H new ATOM 0 HA3 GLY B 44 10.728 7.753 -2.130 1.00 0.00 H new ATOM 1321 N LEU B 45 9.220 5.872 -0.601 1.00 0.00 N ATOM 1322 CA LEU B 45 8.379 4.699 -0.436 1.00 0.00 C ATOM 1323 C LEU B 45 7.091 5.077 0.290 1.00 0.00 C ATOM 1324 O LEU B 45 5.992 4.807 -0.202 1.00 0.00 O ATOM 1325 CB LEU B 45 9.132 3.618 0.346 1.00 0.00 C ATOM 1326 CG LEU B 45 10.375 3.057 -0.350 1.00 0.00 C ATOM 1327 CD1 LEU B 45 11.430 2.664 0.672 1.00 0.00 C ATOM 1328 CD2 LEU B 45 10.005 1.860 -1.213 1.00 0.00 C ATOM 0 H LEU B 45 10.055 5.873 -0.015 1.00 0.00 H new ATOM 0 HA LEU B 45 8.124 4.305 -1.420 1.00 0.00 H new ATOM 0 HB2 LEU B 45 9.430 4.030 1.310 1.00 0.00 H new ATOM 0 HB3 LEU B 45 8.447 2.795 0.549 1.00 0.00 H new ATOM 0 HG LEU B 45 10.789 3.835 -0.991 1.00 0.00 H new ATOM 0 HD11 LEU B 45 12.305 2.268 0.157 1.00 0.00 H new ATOM 0 HD12 LEU B 45 11.717 3.540 1.254 1.00 0.00 H new ATOM 0 HD13 LEU B 45 11.025 1.902 1.338 1.00 0.00 H new ATOM 0 HD21 LEU B 45 10.900 1.473 -1.701 1.00 0.00 H new ATOM 0 HD22 LEU B 45 9.567 1.082 -0.588 1.00 0.00 H new ATOM 0 HD23 LEU B 45 9.283 2.166 -1.970 1.00 0.00 H new ATOM 1340 N VAL B 46 7.242 5.671 1.477 1.00 0.00 N ATOM 1341 CA VAL B 46 6.111 6.116 2.296 1.00 0.00 C ATOM 1342 C VAL B 46 5.060 6.877 1.486 1.00 0.00 C ATOM 1343 O VAL B 46 3.872 6.567 1.579 1.00 0.00 O ATOM 1344 CB VAL B 46 6.585 7.011 3.466 1.00 0.00 C ATOM 1345 CG1 VAL B 46 5.405 7.473 4.312 1.00 0.00 C ATOM 1346 CG2 VAL B 46 7.599 6.274 4.327 1.00 0.00 C ATOM 0 H VAL B 46 8.152 5.857 1.898 1.00 0.00 H new ATOM 0 HA VAL B 46 5.651 5.208 2.687 1.00 0.00 H new ATOM 0 HB VAL B 46 7.065 7.893 3.042 1.00 0.00 H new ATOM 0 HG11 VAL B 46 5.765 8.100 5.127 1.00 0.00 H new ATOM 0 HG12 VAL B 46 4.715 8.045 3.692 1.00 0.00 H new ATOM 0 HG13 VAL B 46 4.890 6.605 4.723 1.00 0.00 H new ATOM 0 HG21 VAL B 46 7.920 6.920 5.144 1.00 0.00 H new ATOM 0 HG22 VAL B 46 7.143 5.372 4.735 1.00 0.00 H new ATOM 0 HG23 VAL B 46 8.462 6.001 3.720 1.00 0.00 H new ATOM 1356 N HIS B 47 5.497 7.859 0.693 1.00 0.00 N ATOM 1357 CA HIS B 47 4.569 8.652 -0.115 1.00 0.00 C ATOM 1358 C HIS B 47 3.684 7.768 -0.960 1.00 0.00 C ATOM 1359 O HIS B 47 2.477 7.974 -1.027 1.00 0.00 O ATOM 1360 CB HIS B 47 5.292 9.598 -1.056 1.00 0.00 C ATOM 1361 CG HIS B 47 5.109 11.040 -0.705 1.00 0.00 C ATOM 1362 ND1 HIS B 47 3.959 11.752 -0.971 1.00 0.00 N ATOM 1363 CD2 HIS B 47 5.949 11.905 -0.083 1.00 0.00 C ATOM 1364 CE1 HIS B 47 4.130 12.998 -0.514 1.00 0.00 C ATOM 1365 NE2 HIS B 47 5.324 13.143 0.034 1.00 0.00 N ATOM 0 H HIS B 47 6.478 8.122 0.594 1.00 0.00 H new ATOM 0 HA HIS B 47 3.974 9.224 0.597 1.00 0.00 H new ATOM 0 HB2 HIS B 47 6.356 9.362 -1.049 1.00 0.00 H new ATOM 0 HB3 HIS B 47 4.935 9.431 -2.072 1.00 0.00 H new ATOM 0 HD2 HIS B 47 6.944 11.670 0.266 1.00 0.00 H new ATOM 0 HE1 HIS B 47 3.390 13.782 -0.584 1.00 0.00 H new ATOM 0 HE2 HIS B 47 5.708 13.988 0.456 1.00 0.00 H new ATOM 1373 N ASN B 48 4.296 6.800 -1.628 1.00 0.00 N ATOM 1374 CA ASN B 48 3.547 5.892 -2.466 1.00 0.00 C ATOM 1375 C ASN B 48 2.564 5.120 -1.615 1.00 0.00 C ATOM 1376 O ASN B 48 1.411 5.491 -1.534 1.00 0.00 O ATOM 1377 CB ASN B 48 4.458 4.932 -3.231 1.00 0.00 C ATOM 1378 CG ASN B 48 4.957 5.532 -4.531 1.00 0.00 C ATOM 1379 OD1 ASN B 48 6.140 6.130 -4.500 1.00 0.00 O flip ATOM 1380 ND2 ASN B 48 4.279 5.460 -5.554 1.00 0.00 N flip ATOM 0 H ASN B 48 5.301 6.629 -1.603 1.00 0.00 H new ATOM 0 HA ASN B 48 3.010 6.482 -3.209 1.00 0.00 H new ATOM 0 HB2 ASN B 48 5.310 4.665 -2.605 1.00 0.00 H new ATOM 0 HB3 ASN B 48 3.916 4.010 -3.442 1.00 0.00 H new ATOM 0 HD21 ASN B 48 3.374 4.991 -5.534 1.00 0.00 H new ATOM 0 HD22 ASN B 48 4.622 5.870 -6.423 1.00 0.00 H new ATOM 1387 N GLY B 49 3.030 4.084 -0.946 1.00 0.00 N ATOM 1388 CA GLY B 49 2.146 3.294 -0.115 1.00 0.00 C ATOM 1389 C GLY B 49 2.906 2.319 0.745 1.00 0.00 C ATOM 1390 O GLY B 49 2.554 1.144 0.822 1.00 0.00 O ATOM 0 H GLY B 49 4.001 3.773 -0.961 1.00 0.00 H new ATOM 0 HA2 GLY B 49 1.557 3.956 0.520 1.00 0.00 H new ATOM 0 HA3 GLY B 49 1.444 2.750 -0.747 1.00 0.00 H new ATOM 1394 N TRP B 50 3.962 2.808 1.378 1.00 0.00 N ATOM 1395 CA TRP B 50 4.794 1.977 2.234 1.00 0.00 C ATOM 1396 C TRP B 50 5.113 2.706 3.530 1.00 0.00 C ATOM 1397 O TRP B 50 6.267 3.030 3.808 1.00 0.00 O ATOM 1398 CB TRP B 50 6.089 1.591 1.512 1.00 0.00 C ATOM 1399 CG TRP B 50 5.856 0.951 0.177 1.00 0.00 C ATOM 1400 CD1 TRP B 50 6.075 1.506 -1.052 1.00 0.00 C ATOM 1401 CD2 TRP B 50 5.341 -0.365 -0.063 1.00 0.00 C ATOM 1402 NE1 TRP B 50 5.729 0.616 -2.040 1.00 0.00 N ATOM 1403 CE2 TRP B 50 5.278 -0.539 -1.457 1.00 0.00 C ATOM 1404 CE3 TRP B 50 4.931 -1.410 0.768 1.00 0.00 C ATOM 1405 CZ2 TRP B 50 4.819 -1.719 -2.036 1.00 0.00 C ATOM 1406 CZ3 TRP B 50 4.477 -2.580 0.190 1.00 0.00 C ATOM 1407 CH2 TRP B 50 4.423 -2.725 -1.200 1.00 0.00 C ATOM 0 H TRP B 50 4.264 3.780 1.314 1.00 0.00 H new ATOM 0 HA TRP B 50 4.243 1.067 2.471 1.00 0.00 H new ATOM 0 HB2 TRP B 50 6.701 2.483 1.378 1.00 0.00 H new ATOM 0 HB3 TRP B 50 6.657 0.906 2.141 1.00 0.00 H new ATOM 0 HD1 TRP B 50 6.463 2.499 -1.222 1.00 0.00 H new ATOM 0 HE1 TRP B 50 5.797 0.787 -3.043 1.00 0.00 H new ATOM 0 HE3 TRP B 50 4.968 -1.305 1.842 1.00 0.00 H new ATOM 0 HZ2 TRP B 50 4.777 -1.835 -3.109 1.00 0.00 H new ATOM 0 HZ3 TRP B 50 4.159 -3.396 0.822 1.00 0.00 H new ATOM 0 HH2 TRP B 50 4.061 -3.651 -1.621 1.00 0.00 H new ATOM 1418 N ASP B 51 4.082 2.987 4.310 1.00 0.00 N ATOM 1419 CA ASP B 51 4.258 3.673 5.580 1.00 0.00 C ATOM 1420 C ASP B 51 4.306 2.664 6.721 1.00 0.00 C ATOM 1421 O ASP B 51 4.558 3.020 7.875 1.00 0.00 O ATOM 1422 CB ASP B 51 3.139 4.701 5.808 1.00 0.00 C ATOM 1423 CG ASP B 51 1.778 4.071 6.052 1.00 0.00 C ATOM 1424 OD1 ASP B 51 1.472 3.042 5.419 1.00 0.00 O ATOM 1425 OD2 ASP B 51 1.008 4.616 6.878 1.00 0.00 O ATOM 0 H ASP B 51 3.115 2.751 4.087 1.00 0.00 H new ATOM 0 HA ASP B 51 5.205 4.211 5.552 1.00 0.00 H new ATOM 0 HB2 ASP B 51 3.399 5.326 6.662 1.00 0.00 H new ATOM 0 HB3 ASP B 51 3.077 5.357 4.940 1.00 0.00 H new ATOM 1430 N ASP B 52 4.083 1.398 6.385 1.00 0.00 N ATOM 1431 CA ASP B 52 4.106 0.325 7.370 1.00 0.00 C ATOM 1432 C ASP B 52 5.016 -0.806 6.904 1.00 0.00 C ATOM 1433 O ASP B 52 5.134 -1.067 5.706 1.00 0.00 O ATOM 1434 CB ASP B 52 2.698 -0.207 7.621 1.00 0.00 C ATOM 1435 CG ASP B 52 2.623 -1.043 8.879 1.00 0.00 C ATOM 1436 OD1 ASP B 52 2.551 -0.461 9.977 1.00 0.00 O ATOM 1437 OD2 ASP B 52 2.635 -2.286 8.773 1.00 0.00 O ATOM 0 H ASP B 52 3.883 1.090 5.433 1.00 0.00 H new ATOM 0 HA ASP B 52 4.496 0.729 8.304 1.00 0.00 H new ATOM 0 HB2 ASP B 52 2.003 0.629 7.700 1.00 0.00 H new ATOM 0 HB3 ASP B 52 2.380 -0.806 6.768 1.00 0.00 H new ATOM 1442 N LEU B 53 5.637 -1.492 7.855 1.00 0.00 N ATOM 1443 CA LEU B 53 6.566 -2.575 7.546 1.00 0.00 C ATOM 1444 C LEU B 53 5.868 -3.922 7.387 1.00 0.00 C ATOM 1445 O LEU B 53 6.424 -4.839 6.785 1.00 0.00 O ATOM 1446 CB LEU B 53 7.628 -2.677 8.640 1.00 0.00 C ATOM 1447 CG LEU B 53 8.639 -1.532 8.666 1.00 0.00 C ATOM 1448 CD1 LEU B 53 9.307 -1.441 10.030 1.00 0.00 C ATOM 1449 CD2 LEU B 53 9.677 -1.724 7.572 1.00 0.00 C ATOM 0 H LEU B 53 5.514 -1.317 8.852 1.00 0.00 H new ATOM 0 HA LEU B 53 7.029 -2.333 6.589 1.00 0.00 H new ATOM 0 HB2 LEU B 53 7.128 -2.723 9.608 1.00 0.00 H new ATOM 0 HB3 LEU B 53 8.168 -3.616 8.515 1.00 0.00 H new ATOM 0 HG LEU B 53 8.111 -0.596 8.483 1.00 0.00 H new ATOM 0 HD11 LEU B 53 10.024 -0.620 10.030 1.00 0.00 H new ATOM 0 HD12 LEU B 53 8.551 -1.262 10.794 1.00 0.00 H new ATOM 0 HD13 LEU B 53 9.826 -2.375 10.244 1.00 0.00 H new ATOM 0 HD21 LEU B 53 10.392 -0.902 7.601 1.00 0.00 H new ATOM 0 HD22 LEU B 53 10.201 -2.667 7.729 1.00 0.00 H new ATOM 0 HD23 LEU B 53 9.183 -1.742 6.601 1.00 0.00 H new ATOM 1461 N GLU B 54 4.650 -4.046 7.899 1.00 0.00 N ATOM 1462 CA GLU B 54 3.924 -5.308 7.812 1.00 0.00 C ATOM 1463 C GLU B 54 3.434 -5.564 6.390 1.00 0.00 C ATOM 1464 O GLU B 54 3.153 -6.701 6.014 1.00 0.00 O ATOM 1465 CB GLU B 54 2.753 -5.314 8.796 1.00 0.00 C ATOM 1466 CG GLU B 54 2.207 -6.700 9.093 1.00 0.00 C ATOM 1467 CD GLU B 54 1.353 -6.729 10.340 1.00 0.00 C ATOM 1468 OE1 GLU B 54 0.505 -5.830 10.506 1.00 0.00 O ATOM 1469 OE2 GLU B 54 1.525 -7.648 11.163 1.00 0.00 O ATOM 0 H GLU B 54 4.147 -3.297 8.375 1.00 0.00 H new ATOM 0 HA GLU B 54 4.608 -6.114 8.078 1.00 0.00 H new ATOM 0 HB2 GLU B 54 3.073 -4.852 9.730 1.00 0.00 H new ATOM 0 HB3 GLU B 54 1.950 -4.696 8.394 1.00 0.00 H new ATOM 0 HG2 GLU B 54 1.617 -7.044 8.244 1.00 0.00 H new ATOM 0 HG3 GLU B 54 3.037 -7.397 9.208 1.00 0.00 H new ATOM 1476 N PHE B 55 3.334 -4.507 5.595 1.00 0.00 N ATOM 1477 CA PHE B 55 2.888 -4.647 4.217 1.00 0.00 C ATOM 1478 C PHE B 55 4.079 -4.607 3.264 1.00 0.00 C ATOM 1479 O PHE B 55 3.978 -5.014 2.108 1.00 0.00 O ATOM 1480 CB PHE B 55 1.882 -3.552 3.855 1.00 0.00 C ATOM 1481 CG PHE B 55 0.865 -3.995 2.842 1.00 0.00 C ATOM 1482 CD1 PHE B 55 -0.270 -4.684 3.240 1.00 0.00 C ATOM 1483 CD2 PHE B 55 1.047 -3.736 1.493 1.00 0.00 C ATOM 1484 CE1 PHE B 55 -1.205 -5.101 2.313 1.00 0.00 C ATOM 1485 CE2 PHE B 55 0.117 -4.153 0.561 1.00 0.00 C ATOM 1486 CZ PHE B 55 -1.011 -4.836 0.972 1.00 0.00 C ATOM 0 H PHE B 55 3.554 -3.552 5.878 1.00 0.00 H new ATOM 0 HA PHE B 55 2.393 -5.613 4.118 1.00 0.00 H new ATOM 0 HB2 PHE B 55 1.367 -3.227 4.759 1.00 0.00 H new ATOM 0 HB3 PHE B 55 2.420 -2.687 3.466 1.00 0.00 H new ATOM 0 HD1 PHE B 55 -0.425 -4.897 4.287 1.00 0.00 H new ATOM 0 HD2 PHE B 55 1.927 -3.202 1.166 1.00 0.00 H new ATOM 0 HE1 PHE B 55 -2.087 -5.634 2.637 1.00 0.00 H new ATOM 0 HE2 PHE B 55 0.272 -3.945 -0.488 1.00 0.00 H new ATOM 0 HZ PHE B 55 -1.740 -5.162 0.245 1.00 0.00 H new ATOM 1496 N LEU B 56 5.219 -4.141 3.769 1.00 0.00 N ATOM 1497 CA LEU B 56 6.437 -4.041 2.968 1.00 0.00 C ATOM 1498 C LEU B 56 6.933 -5.425 2.550 1.00 0.00 C ATOM 1499 O LEU B 56 7.688 -5.562 1.592 1.00 0.00 O ATOM 1500 CB LEU B 56 7.529 -3.303 3.751 1.00 0.00 C ATOM 1501 CG LEU B 56 8.742 -2.858 2.927 1.00 0.00 C ATOM 1502 CD1 LEU B 56 8.401 -1.641 2.081 1.00 0.00 C ATOM 1503 CD2 LEU B 56 9.923 -2.558 3.836 1.00 0.00 C ATOM 0 H LEU B 56 5.325 -3.825 4.733 1.00 0.00 H new ATOM 0 HA LEU B 56 6.204 -3.475 2.066 1.00 0.00 H new ATOM 0 HB2 LEU B 56 7.086 -2.423 4.218 1.00 0.00 H new ATOM 0 HB3 LEU B 56 7.876 -3.951 4.556 1.00 0.00 H new ATOM 0 HG LEU B 56 9.018 -3.674 2.259 1.00 0.00 H new ATOM 0 HD11 LEU B 56 9.276 -1.342 1.504 1.00 0.00 H new ATOM 0 HD12 LEU B 56 7.585 -1.887 1.401 1.00 0.00 H new ATOM 0 HD13 LEU B 56 8.097 -0.820 2.730 1.00 0.00 H new ATOM 0 HD21 LEU B 56 10.775 -2.244 3.234 1.00 0.00 H new ATOM 0 HD22 LEU B 56 9.655 -1.761 4.530 1.00 0.00 H new ATOM 0 HD23 LEU B 56 10.187 -3.454 4.398 1.00 0.00 H new ATOM 1515 N SER B 57 6.491 -6.450 3.266 1.00 0.00 N ATOM 1516 CA SER B 57 6.883 -7.820 2.969 1.00 0.00 C ATOM 1517 C SER B 57 6.198 -8.330 1.698 1.00 0.00 C ATOM 1518 O SER B 57 6.552 -9.386 1.174 1.00 0.00 O ATOM 1519 CB SER B 57 6.537 -8.716 4.158 1.00 0.00 C ATOM 1520 OG SER B 57 5.505 -8.133 4.940 1.00 0.00 O ATOM 0 H SER B 57 5.858 -6.357 4.060 1.00 0.00 H new ATOM 0 HA SER B 57 7.959 -7.845 2.796 1.00 0.00 H new ATOM 0 HB2 SER B 57 6.221 -9.696 3.802 1.00 0.00 H new ATOM 0 HB3 SER B 57 7.423 -8.871 4.773 1.00 0.00 H new ATOM 0 HG SER B 57 4.744 -7.910 4.364 1.00 0.00 H new ATOM 1526 N ASP B 58 5.222 -7.570 1.206 1.00 0.00 N ATOM 1527 CA ASP B 58 4.489 -7.941 -0.001 1.00 0.00 C ATOM 1528 C ASP B 58 4.894 -7.036 -1.163 1.00 0.00 C ATOM 1529 O ASP B 58 4.155 -6.879 -2.136 1.00 0.00 O ATOM 1530 CB ASP B 58 2.975 -7.842 0.244 1.00 0.00 C ATOM 1531 CG ASP B 58 2.167 -8.779 -0.641 1.00 0.00 C ATOM 1532 OD1 ASP B 58 2.315 -10.010 -0.495 1.00 0.00 O ATOM 1533 OD2 ASP B 58 1.362 -8.294 -1.464 1.00 0.00 O ATOM 0 H ASP B 58 4.920 -6.691 1.627 1.00 0.00 H new ATOM 0 HA ASP B 58 4.736 -8.972 -0.256 1.00 0.00 H new ATOM 0 HB2 ASP B 58 2.766 -8.069 1.290 1.00 0.00 H new ATOM 0 HB3 ASP B 58 2.651 -6.816 0.069 1.00 0.00 H new ATOM 1538 N ILE B 59 6.076 -6.437 -1.054 1.00 0.00 N ATOM 1539 CA ILE B 59 6.579 -5.543 -2.090 1.00 0.00 C ATOM 1540 C ILE B 59 7.166 -6.331 -3.262 1.00 0.00 C ATOM 1541 O ILE B 59 7.627 -7.462 -3.098 1.00 0.00 O ATOM 1542 CB ILE B 59 7.649 -4.566 -1.536 1.00 0.00 C ATOM 1543 CG1 ILE B 59 7.848 -3.390 -2.495 1.00 0.00 C ATOM 1544 CG2 ILE B 59 8.972 -5.285 -1.300 1.00 0.00 C ATOM 1545 CD1 ILE B 59 8.683 -2.265 -1.922 1.00 0.00 C ATOM 0 H ILE B 59 6.703 -6.555 -0.258 1.00 0.00 H new ATOM 0 HA ILE B 59 5.728 -4.960 -2.442 1.00 0.00 H new ATOM 0 HB ILE B 59 7.293 -4.182 -0.580 1.00 0.00 H new ATOM 0 HG12 ILE B 59 8.323 -3.754 -3.406 1.00 0.00 H new ATOM 0 HG13 ILE B 59 6.872 -2.996 -2.779 1.00 0.00 H new ATOM 0 HG21 ILE B 59 9.706 -4.579 -0.912 1.00 0.00 H new ATOM 0 HG22 ILE B 59 8.825 -6.089 -0.579 1.00 0.00 H new ATOM 0 HG23 ILE B 59 9.332 -5.702 -2.240 1.00 0.00 H new ATOM 0 HD11 ILE B 59 8.778 -1.470 -2.661 1.00 0.00 H new ATOM 0 HD12 ILE B 59 8.200 -1.873 -1.027 1.00 0.00 H new ATOM 0 HD13 ILE B 59 9.673 -2.641 -1.664 1.00 0.00 H new ATOM 1557 N THR B 60 7.124 -5.731 -4.442 1.00 0.00 N ATOM 1558 CA THR B 60 7.655 -6.351 -5.643 1.00 0.00 C ATOM 1559 C THR B 60 8.728 -5.457 -6.260 1.00 0.00 C ATOM 1560 O THR B 60 8.933 -4.325 -5.809 1.00 0.00 O ATOM 1561 CB THR B 60 6.538 -6.583 -6.681 1.00 0.00 C ATOM 1562 OG1 THR B 60 5.942 -5.329 -7.047 1.00 0.00 O ATOM 1563 CG2 THR B 60 5.469 -7.516 -6.132 1.00 0.00 C ATOM 0 H THR B 60 6.723 -4.805 -4.592 1.00 0.00 H new ATOM 0 HA THR B 60 8.087 -7.312 -5.364 1.00 0.00 H new ATOM 0 HB THR B 60 6.983 -7.047 -7.561 1.00 0.00 H new ATOM 0 HG1 THR B 60 5.285 -5.069 -6.368 1.00 0.00 H new ATOM 0 HG21 THR B 60 4.693 -7.663 -6.884 1.00 0.00 H new ATOM 0 HG22 THR B 60 5.918 -8.477 -5.882 1.00 0.00 H new ATOM 0 HG23 THR B 60 5.028 -7.077 -5.237 1.00 0.00 H new ATOM 1571 N GLU B 61 9.411 -5.959 -7.284 1.00 0.00 N ATOM 1572 CA GLU B 61 10.439 -5.179 -7.961 1.00 0.00 C ATOM 1573 C GLU B 61 9.794 -4.002 -8.680 1.00 0.00 C ATOM 1574 O GLU B 61 10.384 -2.926 -8.800 1.00 0.00 O ATOM 1575 CB GLU B 61 11.214 -6.047 -8.956 1.00 0.00 C ATOM 1576 CG GLU B 61 12.181 -7.014 -8.291 1.00 0.00 C ATOM 1577 CD GLU B 61 13.620 -6.767 -8.696 1.00 0.00 C ATOM 1578 OE1 GLU B 61 13.910 -5.699 -9.275 1.00 0.00 O ATOM 1579 OE2 GLU B 61 14.470 -7.647 -8.448 1.00 0.00 O ATOM 0 H GLU B 61 9.272 -6.897 -7.661 1.00 0.00 H new ATOM 0 HA GLU B 61 11.144 -4.807 -7.217 1.00 0.00 H new ATOM 0 HB2 GLU B 61 10.506 -6.612 -9.562 1.00 0.00 H new ATOM 0 HB3 GLU B 61 11.769 -5.400 -9.635 1.00 0.00 H new ATOM 0 HG2 GLU B 61 12.091 -6.925 -7.208 1.00 0.00 H new ATOM 0 HG3 GLU B 61 11.904 -8.036 -8.551 1.00 0.00 H new ATOM 1586 N GLU B 62 8.568 -4.222 -9.148 1.00 0.00 N ATOM 1587 CA GLU B 62 7.808 -3.192 -9.837 1.00 0.00 C ATOM 1588 C GLU B 62 7.449 -2.081 -8.858 1.00 0.00 C ATOM 1589 O GLU B 62 7.619 -0.898 -9.154 1.00 0.00 O ATOM 1590 CB GLU B 62 6.530 -3.783 -10.436 1.00 0.00 C ATOM 1591 CG GLU B 62 6.768 -4.980 -11.343 1.00 0.00 C ATOM 1592 CD GLU B 62 5.531 -5.840 -11.501 1.00 0.00 C ATOM 1593 OE1 GLU B 62 4.420 -5.281 -11.596 1.00 0.00 O ATOM 1594 OE2 GLU B 62 5.659 -7.083 -11.518 1.00 0.00 O ATOM 0 H GLU B 62 8.080 -5.113 -9.060 1.00 0.00 H new ATOM 0 HA GLU B 62 8.418 -2.785 -10.644 1.00 0.00 H new ATOM 0 HB2 GLU B 62 5.865 -4.081 -9.625 1.00 0.00 H new ATOM 0 HB3 GLU B 62 6.014 -3.008 -11.003 1.00 0.00 H new ATOM 0 HG2 GLU B 62 7.092 -4.631 -12.323 1.00 0.00 H new ATOM 0 HG3 GLU B 62 7.578 -5.585 -10.936 1.00 0.00 H new ATOM 1601 N ASP B 63 6.938 -2.486 -7.696 1.00 0.00 N ATOM 1602 CA ASP B 63 6.556 -1.551 -6.641 1.00 0.00 C ATOM 1603 C ASP B 63 7.704 -0.614 -6.292 1.00 0.00 C ATOM 1604 O ASP B 63 7.507 0.597 -6.196 1.00 0.00 O ATOM 1605 CB ASP B 63 6.094 -2.300 -5.391 1.00 0.00 C ATOM 1606 CG ASP B 63 4.629 -2.677 -5.453 1.00 0.00 C ATOM 1607 OD1 ASP B 63 3.773 -1.767 -5.506 1.00 0.00 O ATOM 1608 OD2 ASP B 63 4.319 -3.882 -5.450 1.00 0.00 O ATOM 0 H ASP B 63 6.778 -3.466 -7.461 1.00 0.00 H new ATOM 0 HA ASP B 63 5.727 -0.953 -7.018 1.00 0.00 H new ATOM 0 HB2 ASP B 63 6.694 -3.202 -5.269 1.00 0.00 H new ATOM 0 HB3 ASP B 63 6.270 -1.679 -4.513 1.00 0.00 H new ATOM 1613 N LEU B 64 8.897 -1.173 -6.068 1.00 0.00 N ATOM 1614 CA LEU B 64 10.077 -0.368 -5.764 1.00 0.00 C ATOM 1615 C LEU B 64 10.286 0.684 -6.845 1.00 0.00 C ATOM 1616 O LEU B 64 10.439 1.868 -6.547 1.00 0.00 O ATOM 1617 CB LEU B 64 11.311 -1.267 -5.657 1.00 0.00 C ATOM 1618 CG LEU B 64 11.461 -2.006 -4.328 1.00 0.00 C ATOM 1619 CD1 LEU B 64 12.330 -3.239 -4.502 1.00 0.00 C ATOM 1620 CD2 LEU B 64 12.054 -1.085 -3.274 1.00 0.00 C ATOM 0 H LEU B 64 9.068 -2.178 -6.092 1.00 0.00 H new ATOM 0 HA LEU B 64 9.924 0.136 -4.810 1.00 0.00 H new ATOM 0 HB2 LEU B 64 11.277 -2.002 -6.462 1.00 0.00 H new ATOM 0 HB3 LEU B 64 12.200 -0.658 -5.819 1.00 0.00 H new ATOM 0 HG LEU B 64 10.473 -2.323 -3.995 1.00 0.00 H new ATOM 0 HD11 LEU B 64 12.427 -3.754 -3.546 1.00 0.00 H new ATOM 0 HD12 LEU B 64 11.871 -3.908 -5.230 1.00 0.00 H new ATOM 0 HD13 LEU B 64 13.317 -2.941 -4.855 1.00 0.00 H new ATOM 0 HD21 LEU B 64 12.155 -1.626 -2.333 1.00 0.00 H new ATOM 0 HD22 LEU B 64 13.035 -0.741 -3.602 1.00 0.00 H new ATOM 0 HD23 LEU B 64 11.398 -0.226 -3.130 1.00 0.00 H new ATOM 1632 N GLU B 65 10.354 0.218 -8.088 1.00 0.00 N ATOM 1633 CA GLU B 65 10.495 1.093 -9.253 1.00 0.00 C ATOM 1634 C GLU B 65 9.543 2.295 -9.169 1.00 0.00 C ATOM 1635 O GLU B 65 9.962 3.440 -9.351 1.00 0.00 O ATOM 1636 CB GLU B 65 10.237 0.276 -10.529 1.00 0.00 C ATOM 1637 CG GLU B 65 9.642 1.067 -11.688 1.00 0.00 C ATOM 1638 CD GLU B 65 10.690 1.741 -12.546 1.00 0.00 C ATOM 1639 OE1 GLU B 65 11.783 1.167 -12.716 1.00 0.00 O ATOM 1640 OE2 GLU B 65 10.411 2.840 -13.074 1.00 0.00 O ATOM 0 H GLU B 65 10.313 -0.775 -8.319 1.00 0.00 H new ATOM 0 HA GLU B 65 11.510 1.491 -9.276 1.00 0.00 H new ATOM 0 HB2 GLU B 65 11.178 -0.167 -10.856 1.00 0.00 H new ATOM 0 HB3 GLU B 65 9.564 -0.547 -10.286 1.00 0.00 H new ATOM 0 HG2 GLU B 65 9.048 0.398 -12.310 1.00 0.00 H new ATOM 0 HG3 GLU B 65 8.963 1.823 -11.294 1.00 0.00 H new ATOM 1647 N GLU B 66 8.271 2.034 -8.875 1.00 0.00 N ATOM 1648 CA GLU B 66 7.265 3.089 -8.767 1.00 0.00 C ATOM 1649 C GLU B 66 7.538 4.018 -7.586 1.00 0.00 C ATOM 1650 O GLU B 66 7.130 5.179 -7.590 1.00 0.00 O ATOM 1651 CB GLU B 66 5.877 2.468 -8.631 1.00 0.00 C ATOM 1652 CG GLU B 66 5.490 1.604 -9.816 1.00 0.00 C ATOM 1653 CD GLU B 66 4.201 0.848 -9.593 1.00 0.00 C ATOM 1654 OE1 GLU B 66 3.126 1.392 -9.911 1.00 0.00 O ATOM 1655 OE2 GLU B 66 4.259 -0.300 -9.116 1.00 0.00 O ATOM 0 H GLU B 66 7.911 1.095 -8.706 1.00 0.00 H new ATOM 0 HA GLU B 66 7.314 3.689 -9.676 1.00 0.00 H new ATOM 0 HB2 GLU B 66 5.843 1.865 -7.724 1.00 0.00 H new ATOM 0 HB3 GLU B 66 5.140 3.263 -8.513 1.00 0.00 H new ATOM 0 HG2 GLU B 66 5.389 2.233 -10.701 1.00 0.00 H new ATOM 0 HG3 GLU B 66 6.292 0.894 -10.020 1.00 0.00 H new ATOM 1662 N ALA B 67 8.237 3.507 -6.584 1.00 0.00 N ATOM 1663 CA ALA B 67 8.561 4.293 -5.402 1.00 0.00 C ATOM 1664 C ALA B 67 9.816 5.130 -5.627 1.00 0.00 C ATOM 1665 O ALA B 67 10.184 5.952 -4.789 1.00 0.00 O ATOM 1666 CB ALA B 67 8.737 3.386 -4.193 1.00 0.00 C ATOM 0 H ALA B 67 8.591 2.551 -6.565 1.00 0.00 H new ATOM 0 HA ALA B 67 7.731 4.973 -5.211 1.00 0.00 H new ATOM 0 HB1 ALA B 67 8.979 3.989 -3.318 1.00 0.00 H new ATOM 0 HB2 ALA B 67 7.812 2.838 -4.012 1.00 0.00 H new ATOM 0 HB3 ALA B 67 9.546 2.680 -4.382 1.00 0.00 H new ATOM 1672 N GLY B 68 10.474 4.911 -6.760 1.00 0.00 N ATOM 1673 CA GLY B 68 11.674 5.660 -7.079 1.00 0.00 C ATOM 1674 C GLY B 68 12.913 4.789 -7.107 1.00 0.00 C ATOM 1675 O GLY B 68 13.950 5.183 -7.641 1.00 0.00 O ATOM 0 H GLY B 68 10.197 4.227 -7.464 1.00 0.00 H new ATOM 0 HA2 GLY B 68 11.551 6.141 -8.049 1.00 0.00 H new ATOM 0 HA3 GLY B 68 11.809 6.454 -6.344 1.00 0.00 H new ATOM 1679 N VAL B 69 12.811 3.599 -6.545 1.00 0.00 N ATOM 1680 CA VAL B 69 13.936 2.682 -6.509 1.00 0.00 C ATOM 1681 C VAL B 69 13.977 1.856 -7.790 1.00 0.00 C ATOM 1682 O VAL B 69 13.487 0.731 -7.836 1.00 0.00 O ATOM 1683 CB VAL B 69 13.872 1.747 -5.282 1.00 0.00 C ATOM 1684 CG1 VAL B 69 15.180 0.988 -5.117 1.00 0.00 C ATOM 1685 CG2 VAL B 69 13.548 2.534 -4.020 1.00 0.00 C ATOM 0 H VAL B 69 11.961 3.244 -6.107 1.00 0.00 H new ATOM 0 HA VAL B 69 14.846 3.276 -6.428 1.00 0.00 H new ATOM 0 HB VAL B 69 13.074 1.024 -5.448 1.00 0.00 H new ATOM 0 HG11 VAL B 69 15.114 0.335 -4.247 1.00 0.00 H new ATOM 0 HG12 VAL B 69 15.368 0.388 -6.008 1.00 0.00 H new ATOM 0 HG13 VAL B 69 15.997 1.696 -4.978 1.00 0.00 H new ATOM 0 HG21 VAL B 69 13.508 1.855 -3.168 1.00 0.00 H new ATOM 0 HG22 VAL B 69 14.321 3.284 -3.850 1.00 0.00 H new ATOM 0 HG23 VAL B 69 12.583 3.027 -4.137 1.00 0.00 H new ATOM 1695 N GLN B 70 14.540 2.441 -8.835 1.00 0.00 N ATOM 1696 CA GLN B 70 14.640 1.773 -10.128 1.00 0.00 C ATOM 1697 C GLN B 70 16.004 1.114 -10.298 1.00 0.00 C ATOM 1698 O GLN B 70 16.189 0.251 -11.158 1.00 0.00 O ATOM 1699 CB GLN B 70 14.404 2.781 -11.253 1.00 0.00 C ATOM 1700 CG GLN B 70 13.252 3.735 -10.980 1.00 0.00 C ATOM 1701 CD GLN B 70 13.210 4.890 -11.955 1.00 0.00 C ATOM 1702 OE1 GLN B 70 13.849 5.921 -11.742 1.00 0.00 O ATOM 1703 NE2 GLN B 70 12.448 4.735 -13.023 1.00 0.00 N ATOM 0 H GLN B 70 14.937 3.380 -8.815 1.00 0.00 H new ATOM 0 HA GLN B 70 13.877 0.996 -10.172 1.00 0.00 H new ATOM 0 HB2 GLN B 70 15.315 3.359 -11.409 1.00 0.00 H new ATOM 0 HB3 GLN B 70 14.206 2.241 -12.179 1.00 0.00 H new ATOM 0 HG2 GLN B 70 12.311 3.187 -11.031 1.00 0.00 H new ATOM 0 HG3 GLN B 70 13.340 4.124 -9.965 1.00 0.00 H new ATOM 0 HE21 GLN B 70 11.935 3.864 -13.161 1.00 0.00 H new ATOM 0 HE22 GLN B 70 12.373 5.486 -13.709 1.00 0.00 H new ATOM 1712 N ASP B 71 16.955 1.524 -9.469 1.00 0.00 N ATOM 1713 CA ASP B 71 18.310 0.984 -9.522 1.00 0.00 C ATOM 1714 C ASP B 71 18.331 -0.483 -9.094 1.00 0.00 C ATOM 1715 O ASP B 71 17.827 -0.826 -8.023 1.00 0.00 O ATOM 1716 CB ASP B 71 19.239 1.813 -8.631 1.00 0.00 C ATOM 1717 CG ASP B 71 20.637 1.239 -8.550 1.00 0.00 C ATOM 1718 OD1 ASP B 71 21.473 1.564 -9.415 1.00 0.00 O ATOM 1719 OD2 ASP B 71 20.912 0.467 -7.612 1.00 0.00 O ATOM 0 H ASP B 71 16.813 2.232 -8.748 1.00 0.00 H new ATOM 0 HA ASP B 71 18.663 1.040 -10.552 1.00 0.00 H new ATOM 0 HB2 ASP B 71 19.291 2.832 -9.016 1.00 0.00 H new ATOM 0 HB3 ASP B 71 18.816 1.872 -7.628 1.00 0.00 H new ATOM 1724 N PRO B 72 18.907 -1.365 -9.932 1.00 0.00 N ATOM 1725 CA PRO B 72 18.986 -2.806 -9.657 1.00 0.00 C ATOM 1726 C PRO B 72 19.622 -3.128 -8.308 1.00 0.00 C ATOM 1727 O PRO B 72 19.064 -3.905 -7.528 1.00 0.00 O ATOM 1728 CB PRO B 72 19.845 -3.366 -10.800 1.00 0.00 C ATOM 1729 CG PRO B 72 20.455 -2.181 -11.469 1.00 0.00 C ATOM 1730 CD PRO B 72 19.525 -1.029 -11.225 1.00 0.00 C ATOM 0 HA PRO B 72 17.989 -3.244 -9.606 1.00 0.00 H new ATOM 0 HB2 PRO B 72 20.614 -4.038 -10.418 1.00 0.00 H new ATOM 0 HB3 PRO B 72 19.238 -3.941 -11.500 1.00 0.00 H new ATOM 0 HG2 PRO B 72 21.445 -1.973 -11.063 1.00 0.00 H new ATOM 0 HG3 PRO B 72 20.579 -2.360 -12.537 1.00 0.00 H new ATOM 0 HD2 PRO B 72 20.061 -0.081 -11.181 1.00 0.00 H new ATOM 0 HD3 PRO B 72 18.780 -0.938 -12.016 1.00 0.00 H new ATOM 1738 N ALA B 73 20.782 -2.538 -8.034 1.00 0.00 N ATOM 1739 CA ALA B 73 21.485 -2.769 -6.779 1.00 0.00 C ATOM 1740 C ALA B 73 20.625 -2.392 -5.581 1.00 0.00 C ATOM 1741 O ALA B 73 20.479 -3.174 -4.643 1.00 0.00 O ATOM 1742 CB ALA B 73 22.791 -1.987 -6.751 1.00 0.00 C ATOM 0 H ALA B 73 21.255 -1.894 -8.668 1.00 0.00 H new ATOM 0 HA ALA B 73 21.705 -3.835 -6.714 1.00 0.00 H new ATOM 0 HB1 ALA B 73 23.304 -2.170 -5.807 1.00 0.00 H new ATOM 0 HB2 ALA B 73 23.425 -2.308 -7.577 1.00 0.00 H new ATOM 0 HB3 ALA B 73 22.580 -0.922 -6.849 1.00 0.00 H new ATOM 1748 N HIS B 74 20.048 -1.198 -5.626 1.00 0.00 N ATOM 1749 CA HIS B 74 19.202 -0.711 -4.541 1.00 0.00 C ATOM 1750 C HIS B 74 17.994 -1.621 -4.338 1.00 0.00 C ATOM 1751 O HIS B 74 17.620 -1.924 -3.203 1.00 0.00 O ATOM 1752 CB HIS B 74 18.749 0.724 -4.815 1.00 0.00 C ATOM 1753 CG HIS B 74 19.814 1.749 -4.564 1.00 0.00 C ATOM 1754 ND1 HIS B 74 20.891 1.961 -5.396 1.00 0.00 N ATOM 1755 CD2 HIS B 74 19.949 2.637 -3.550 1.00 0.00 C ATOM 1756 CE1 HIS B 74 21.628 2.949 -4.875 1.00 0.00 C ATOM 1757 NE2 HIS B 74 21.098 3.396 -3.752 1.00 0.00 N ATOM 0 H HIS B 74 20.150 -0.546 -6.404 1.00 0.00 H new ATOM 0 HA HIS B 74 19.792 -0.720 -3.624 1.00 0.00 H new ATOM 0 HB2 HIS B 74 18.420 0.800 -5.851 1.00 0.00 H new ATOM 0 HB3 HIS B 74 17.885 0.949 -4.189 1.00 0.00 H new ATOM 0 HD1 HIS B 74 21.092 1.454 -6.258 1.00 0.00 H new ATOM 0 HD2 HIS B 74 19.271 2.740 -2.716 1.00 0.00 H new ATOM 0 HE1 HIS B 74 22.537 3.331 -5.316 1.00 0.00 H new ATOM 1765 N LYS B 75 17.389 -2.060 -5.440 1.00 0.00 N ATOM 1766 CA LYS B 75 16.235 -2.952 -5.372 1.00 0.00 C ATOM 1767 C LYS B 75 16.633 -4.272 -4.723 1.00 0.00 C ATOM 1768 O LYS B 75 16.018 -4.713 -3.749 1.00 0.00 O ATOM 1769 CB LYS B 75 15.663 -3.215 -6.769 1.00 0.00 C ATOM 1770 CG LYS B 75 14.874 -2.048 -7.342 1.00 0.00 C ATOM 1771 CD LYS B 75 14.077 -2.460 -8.573 1.00 0.00 C ATOM 1772 CE LYS B 75 14.979 -2.687 -9.775 1.00 0.00 C ATOM 1773 NZ LYS B 75 14.324 -3.534 -10.805 1.00 0.00 N ATOM 0 H LYS B 75 17.678 -1.813 -6.387 1.00 0.00 H new ATOM 0 HA LYS B 75 15.467 -2.468 -4.769 1.00 0.00 H new ATOM 0 HB2 LYS B 75 16.482 -3.455 -7.447 1.00 0.00 H new ATOM 0 HB3 LYS B 75 15.017 -4.092 -6.727 1.00 0.00 H new ATOM 0 HG2 LYS B 75 14.196 -1.659 -6.582 1.00 0.00 H new ATOM 0 HG3 LYS B 75 15.557 -1.240 -7.604 1.00 0.00 H new ATOM 0 HD2 LYS B 75 13.520 -3.372 -8.358 1.00 0.00 H new ATOM 0 HD3 LYS B 75 13.345 -1.688 -8.808 1.00 0.00 H new ATOM 0 HE2 LYS B 75 15.249 -1.726 -10.213 1.00 0.00 H new ATOM 0 HE3 LYS B 75 15.905 -3.161 -9.450 1.00 0.00 H new ATOM 0 HZ1 LYS B 75 14.858 -3.474 -11.695 1.00 0.00 H new ATOM 0 HZ2 LYS B 75 14.303 -4.522 -10.480 1.00 0.00 H new ATOM 0 HZ3 LYS B 75 13.351 -3.200 -10.962 1.00 0.00 H new ATOM 1787 N ARG B 76 17.665 -4.897 -5.282 1.00 0.00 N ATOM 1788 CA ARG B 76 18.175 -6.163 -4.769 1.00 0.00 C ATOM 1789 C ARG B 76 18.533 -6.046 -3.291 1.00 0.00 C ATOM 1790 O ARG B 76 18.199 -6.924 -2.496 1.00 0.00 O ATOM 1791 CB ARG B 76 19.401 -6.612 -5.571 1.00 0.00 C ATOM 1792 CG ARG B 76 19.907 -7.998 -5.197 1.00 0.00 C ATOM 1793 CD ARG B 76 18.862 -9.073 -5.467 1.00 0.00 C ATOM 1794 NE ARG B 76 19.272 -10.374 -4.942 1.00 0.00 N ATOM 1795 CZ ARG B 76 18.558 -11.493 -5.060 1.00 0.00 C ATOM 1796 NH1 ARG B 76 17.389 -11.486 -5.694 1.00 0.00 N ATOM 1797 NH2 ARG B 76 19.017 -12.625 -4.544 1.00 0.00 N ATOM 0 H ARG B 76 18.167 -4.543 -6.096 1.00 0.00 H new ATOM 0 HA ARG B 76 17.389 -6.911 -4.877 1.00 0.00 H new ATOM 0 HB2 ARG B 76 19.153 -6.600 -6.632 1.00 0.00 H new ATOM 0 HB3 ARG B 76 20.204 -5.890 -5.423 1.00 0.00 H new ATOM 0 HG2 ARG B 76 20.812 -8.220 -5.763 1.00 0.00 H new ATOM 0 HG3 ARG B 76 20.180 -8.013 -4.142 1.00 0.00 H new ATOM 0 HD2 ARG B 76 17.915 -8.781 -5.014 1.00 0.00 H new ATOM 0 HD3 ARG B 76 18.691 -9.152 -6.541 1.00 0.00 H new ATOM 0 HE ARG B 76 20.165 -10.429 -4.452 1.00 0.00 H new ATOM 0 HH11 ARG B 76 17.032 -10.619 -6.095 1.00 0.00 H new ATOM 0 HH12 ARG B 76 16.850 -12.348 -5.779 1.00 0.00 H new ATOM 0 HH21 ARG B 76 19.914 -12.637 -4.059 1.00 0.00 H new ATOM 0 HH22 ARG B 76 18.473 -13.483 -4.632 1.00 0.00 H new ATOM 1811 N LEU B 77 19.221 -4.964 -2.935 1.00 0.00 N ATOM 1812 CA LEU B 77 19.616 -4.718 -1.553 1.00 0.00 C ATOM 1813 C LEU B 77 18.409 -4.752 -0.620 1.00 0.00 C ATOM 1814 O LEU B 77 18.434 -5.428 0.410 1.00 0.00 O ATOM 1815 CB LEU B 77 20.325 -3.364 -1.436 1.00 0.00 C ATOM 1816 CG LEU B 77 21.837 -3.426 -1.183 1.00 0.00 C ATOM 1817 CD1 LEU B 77 22.135 -4.102 0.146 1.00 0.00 C ATOM 1818 CD2 LEU B 77 22.549 -4.149 -2.319 1.00 0.00 C ATOM 0 H LEU B 77 19.517 -4.240 -3.590 1.00 0.00 H new ATOM 0 HA LEU B 77 20.302 -5.511 -1.255 1.00 0.00 H new ATOM 0 HB2 LEU B 77 20.151 -2.803 -2.354 1.00 0.00 H new ATOM 0 HB3 LEU B 77 19.862 -2.801 -0.626 1.00 0.00 H new ATOM 0 HG LEU B 77 22.212 -2.403 -1.140 1.00 0.00 H new ATOM 0 HD11 LEU B 77 23.213 -4.135 0.304 1.00 0.00 H new ATOM 0 HD12 LEU B 77 21.667 -3.539 0.954 1.00 0.00 H new ATOM 0 HD13 LEU B 77 21.739 -5.118 0.135 1.00 0.00 H new ATOM 0 HD21 LEU B 77 23.620 -4.180 -2.116 1.00 0.00 H new ATOM 0 HD22 LEU B 77 22.166 -5.166 -2.400 1.00 0.00 H new ATOM 0 HD23 LEU B 77 22.372 -3.619 -3.255 1.00 0.00 H new ATOM 1830 N LEU B 78 17.350 -4.035 -0.985 1.00 0.00 N ATOM 1831 CA LEU B 78 16.142 -3.995 -0.168 1.00 0.00 C ATOM 1832 C LEU B 78 15.522 -5.384 -0.061 1.00 0.00 C ATOM 1833 O LEU B 78 15.118 -5.809 1.021 1.00 0.00 O ATOM 1834 CB LEU B 78 15.129 -3.001 -0.744 1.00 0.00 C ATOM 1835 CG LEU B 78 14.066 -2.513 0.247 1.00 0.00 C ATOM 1836 CD1 LEU B 78 13.824 -1.021 0.077 1.00 0.00 C ATOM 1837 CD2 LEU B 78 12.766 -3.285 0.070 1.00 0.00 C ATOM 0 H LEU B 78 17.304 -3.476 -1.837 1.00 0.00 H new ATOM 0 HA LEU B 78 16.419 -3.661 0.832 1.00 0.00 H new ATOM 0 HB2 LEU B 78 15.670 -2.136 -1.129 1.00 0.00 H new ATOM 0 HB3 LEU B 78 14.627 -3.467 -1.592 1.00 0.00 H new ATOM 0 HG LEU B 78 14.435 -2.693 1.257 1.00 0.00 H new ATOM 0 HD11 LEU B 78 13.067 -0.692 0.788 1.00 0.00 H new ATOM 0 HD12 LEU B 78 14.752 -0.479 0.258 1.00 0.00 H new ATOM 0 HD13 LEU B 78 13.480 -0.822 -0.938 1.00 0.00 H new ATOM 0 HD21 LEU B 78 12.027 -2.921 0.784 1.00 0.00 H new ATOM 0 HD22 LEU B 78 12.393 -3.141 -0.944 1.00 0.00 H new ATOM 0 HD23 LEU B 78 12.946 -4.346 0.243 1.00 0.00 H new ATOM 1849 N LEU B 79 15.454 -6.088 -1.191 1.00 0.00 N ATOM 1850 CA LEU B 79 14.901 -7.441 -1.230 1.00 0.00 C ATOM 1851 C LEU B 79 15.630 -8.355 -0.248 1.00 0.00 C ATOM 1852 O LEU B 79 15.004 -9.119 0.489 1.00 0.00 O ATOM 1853 CB LEU B 79 14.996 -8.015 -2.647 1.00 0.00 C ATOM 1854 CG LEU B 79 13.676 -8.067 -3.424 1.00 0.00 C ATOM 1855 CD1 LEU B 79 13.132 -6.667 -3.659 1.00 0.00 C ATOM 1856 CD2 LEU B 79 13.868 -8.794 -4.745 1.00 0.00 C ATOM 0 H LEU B 79 15.776 -5.742 -2.095 1.00 0.00 H new ATOM 0 HA LEU B 79 13.852 -7.386 -0.938 1.00 0.00 H new ATOM 0 HB2 LEU B 79 15.710 -7.419 -3.215 1.00 0.00 H new ATOM 0 HB3 LEU B 79 15.402 -9.025 -2.586 1.00 0.00 H new ATOM 0 HG LEU B 79 12.949 -8.617 -2.827 1.00 0.00 H new ATOM 0 HD11 LEU B 79 12.195 -6.729 -4.212 1.00 0.00 H new ATOM 0 HD12 LEU B 79 12.956 -6.179 -2.700 1.00 0.00 H new ATOM 0 HD13 LEU B 79 13.855 -6.087 -4.233 1.00 0.00 H new ATOM 0 HD21 LEU B 79 12.922 -8.823 -5.285 1.00 0.00 H new ATOM 0 HD22 LEU B 79 14.612 -8.269 -5.344 1.00 0.00 H new ATOM 0 HD23 LEU B 79 14.208 -9.812 -4.554 1.00 0.00 H new ATOM 1868 N ASP B 80 16.954 -8.265 -0.241 1.00 0.00 N ATOM 1869 CA ASP B 80 17.777 -9.073 0.655 1.00 0.00 C ATOM 1870 C ASP B 80 17.549 -8.660 2.106 1.00 0.00 C ATOM 1871 O ASP B 80 17.405 -9.504 2.995 1.00 0.00 O ATOM 1872 CB ASP B 80 19.258 -8.923 0.293 1.00 0.00 C ATOM 1873 CG ASP B 80 20.163 -9.733 1.199 1.00 0.00 C ATOM 1874 OD1 ASP B 80 20.272 -10.961 0.991 1.00 0.00 O ATOM 1875 OD2 ASP B 80 20.777 -9.146 2.113 1.00 0.00 O ATOM 0 H ASP B 80 17.484 -7.639 -0.847 1.00 0.00 H new ATOM 0 HA ASP B 80 17.489 -10.118 0.540 1.00 0.00 H new ATOM 0 HB2 ASP B 80 19.409 -9.236 -0.740 1.00 0.00 H new ATOM 0 HB3 ASP B 80 19.538 -7.871 0.352 1.00 0.00 H new ATOM 1880 N THR B 81 17.484 -7.351 2.329 1.00 0.00 N ATOM 1881 CA THR B 81 17.269 -6.802 3.660 1.00 0.00 C ATOM 1882 C THR B 81 15.917 -7.247 4.226 1.00 0.00 C ATOM 1883 O THR B 81 15.769 -7.409 5.438 1.00 0.00 O ATOM 1884 CB THR B 81 17.343 -5.262 3.641 1.00 0.00 C ATOM 1885 OG1 THR B 81 18.551 -4.847 2.994 1.00 0.00 O ATOM 1886 CG2 THR B 81 17.306 -4.689 5.050 1.00 0.00 C ATOM 0 H THR B 81 17.578 -6.647 1.597 1.00 0.00 H new ATOM 0 HA THR B 81 18.062 -7.184 4.303 1.00 0.00 H new ATOM 0 HB THR B 81 16.477 -4.889 3.095 1.00 0.00 H new ATOM 0 HG1 THR B 81 18.454 -4.948 2.024 1.00 0.00 H new ATOM 0 HG21 THR B 81 17.360 -3.601 5.002 1.00 0.00 H new ATOM 0 HG22 THR B 81 16.378 -4.985 5.539 1.00 0.00 H new ATOM 0 HG23 THR B 81 18.154 -5.069 5.620 1.00 0.00 H new ATOM 1894 N LEU B 82 14.943 -7.450 3.342 1.00 0.00 N ATOM 1895 CA LEU B 82 13.612 -7.893 3.752 1.00 0.00 C ATOM 1896 C LEU B 82 13.697 -9.232 4.473 1.00 0.00 C ATOM 1897 O LEU B 82 13.087 -9.421 5.520 1.00 0.00 O ATOM 1898 CB LEU B 82 12.689 -8.019 2.541 1.00 0.00 C ATOM 1899 CG LEU B 82 11.931 -6.750 2.157 1.00 0.00 C ATOM 1900 CD1 LEU B 82 11.316 -6.902 0.777 1.00 0.00 C ATOM 1901 CD2 LEU B 82 10.854 -6.437 3.186 1.00 0.00 C ATOM 0 H LEU B 82 15.050 -7.315 2.337 1.00 0.00 H new ATOM 0 HA LEU B 82 13.201 -7.147 4.432 1.00 0.00 H new ATOM 0 HB2 LEU B 82 13.283 -8.339 1.685 1.00 0.00 H new ATOM 0 HB3 LEU B 82 11.964 -8.808 2.739 1.00 0.00 H new ATOM 0 HG LEU B 82 12.637 -5.919 2.136 1.00 0.00 H new ATOM 0 HD11 LEU B 82 10.779 -5.990 0.516 1.00 0.00 H new ATOM 0 HD12 LEU B 82 12.104 -7.081 0.045 1.00 0.00 H new ATOM 0 HD13 LEU B 82 10.623 -7.744 0.778 1.00 0.00 H new ATOM 0 HD21 LEU B 82 10.325 -5.529 2.895 1.00 0.00 H new ATOM 0 HD22 LEU B 82 10.149 -7.267 3.239 1.00 0.00 H new ATOM 0 HD23 LEU B 82 11.315 -6.290 4.163 1.00 0.00 H new ATOM 1913 N GLN B 83 14.463 -10.152 3.904 1.00 0.00 N ATOM 1914 CA GLN B 83 14.634 -11.470 4.496 1.00 0.00 C ATOM 1915 C GLN B 83 15.412 -11.360 5.803 1.00 0.00 C ATOM 1916 O GLN B 83 15.029 -11.936 6.821 1.00 0.00 O ATOM 1917 CB GLN B 83 15.368 -12.402 3.530 1.00 0.00 C ATOM 1918 CG GLN B 83 14.679 -12.559 2.183 1.00 0.00 C ATOM 1919 CD GLN B 83 15.555 -13.255 1.159 1.00 0.00 C ATOM 1920 OE1 GLN B 83 16.781 -13.156 1.199 1.00 0.00 O ATOM 1921 NE2 GLN B 83 14.933 -13.966 0.229 1.00 0.00 N ATOM 0 H GLN B 83 14.975 -10.010 3.034 1.00 0.00 H new ATOM 0 HA GLN B 83 13.648 -11.887 4.701 1.00 0.00 H new ATOM 0 HB2 GLN B 83 16.377 -12.021 3.369 1.00 0.00 H new ATOM 0 HB3 GLN B 83 15.468 -13.384 3.993 1.00 0.00 H new ATOM 0 HG2 GLN B 83 13.758 -13.127 2.314 1.00 0.00 H new ATOM 0 HG3 GLN B 83 14.397 -11.576 1.806 1.00 0.00 H new ATOM 0 HE21 GLN B 83 13.915 -14.025 0.228 1.00 0.00 H new ATOM 0 HE22 GLN B 83 15.473 -14.454 -0.486 1.00 0.00 H new ATOM 1930 N LEU B 84 16.514 -10.620 5.753 1.00 0.00 N ATOM 1931 CA LEU B 84 17.372 -10.404 6.913 1.00 0.00 C ATOM 1932 C LEU B 84 16.623 -9.791 8.098 1.00 0.00 C ATOM 1933 O LEU B 84 16.755 -10.252 9.230 1.00 0.00 O ATOM 1934 CB LEU B 84 18.530 -9.488 6.515 1.00 0.00 C ATOM 1935 CG LEU B 84 19.643 -9.354 7.551 1.00 0.00 C ATOM 1936 CD1 LEU B 84 20.474 -10.626 7.605 1.00 0.00 C ATOM 1937 CD2 LEU B 84 20.518 -8.156 7.232 1.00 0.00 C ATOM 0 H LEU B 84 16.838 -10.152 4.906 1.00 0.00 H new ATOM 0 HA LEU B 84 17.739 -11.379 7.235 1.00 0.00 H new ATOM 0 HB2 LEU B 84 18.963 -9.860 5.587 1.00 0.00 H new ATOM 0 HB3 LEU B 84 18.131 -8.496 6.305 1.00 0.00 H new ATOM 0 HG LEU B 84 19.191 -9.199 8.531 1.00 0.00 H new ATOM 0 HD11 LEU B 84 21.263 -10.514 8.349 1.00 0.00 H new ATOM 0 HD12 LEU B 84 19.836 -11.466 7.877 1.00 0.00 H new ATOM 0 HD13 LEU B 84 20.920 -10.811 6.628 1.00 0.00 H new ATOM 0 HD21 LEU B 84 21.307 -8.073 7.979 1.00 0.00 H new ATOM 0 HD22 LEU B 84 20.964 -8.283 6.246 1.00 0.00 H new ATOM 0 HD23 LEU B 84 19.912 -7.250 7.242 1.00 0.00 H new