USER MOD reduce.3.24.130724 H: found=0, std=0, add=985, rem=0, adj=52 USER MOD reduce.3.24.130724 removed 994 hydrogens (97 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 NoAdj-H: A 65 ASNHD21 : A 65 ASN ND2 : A 106 NAG C1 :(H bumps) USER MOD Set 1.1: A 84 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 86 TYR OH : rot 180:sc= -0.14 USER MOD Set 2.1: A 60 TYR OH : rot 180:sc= 0.449 USER MOD Set 2.2: A 81 TYR OH : rot -154:sc= 0.248! USER MOD Single : A 1 LYS N :NH3+ -151:sc= -0.251 (180deg=-1.29!) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= -0.903 X(o=-0.9,f=-0.47) USER MOD Single : A 9 THR OG1 : rot 128:sc= -1.4 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 18 ASN : amide:sc= -0.296 K(o=-0.3,f=-1.9) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -2.5 K(o=-2.5,f=-3) USER MOD Single : A 26 MET CE :methyl -140:sc= 0 (180deg=-0.926) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 154:sc= 0.0545 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ -158:sc= -3.07! (180deg=-4.28!) USER MOD Single : A 38 THR OG1 : rot 120:sc= -2.56 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -151:sc= -0.518 (180deg=-2.83!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -5.13! C(o=-5.1!,f=-15!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 159:sc= -0.289 (180deg=-1.41!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -114:sc= 0.104 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot -170:sc= -0.632 USER MOD Single : A 69 LYS NZ :NH3+ 157:sc= -0.523 (180deg=-1.19) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HD1:sc= -0.0883 X(o=-0.088,f=-0.37) USER MOD Single : A 74 LYS NZ :NH3+ -122:sc= -1.24! (180deg=-2.86!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= 0.0136 K(o=0.014,f=-3.9!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -0.849 K(o=-0.85,f=-2.6!) USER MOD Single : A 96 LYS NZ :NH3+ -174:sc= -1.31 (180deg=-1.34) USER MOD Single : A 101 LYS NZ :NH3+ -144:sc= -0.483 (180deg=-2.24!) USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0.03) USER MOD Single : A 106 NAG O3 : rot 180:sc= 0 USER MOD Single : A 106 NAG O6 : rot 180:sc= -0.872 USER MOD Single : A 107 NAG O3 : rot -87:sc= 0.658 USER MOD Single : A 107 NAG O6 : rot 10:sc= 0.526 USER MOD Single : A 108 BMA O2 : rot -24:sc= 0.0215 USER MOD Single : A 108 BMA O4 : rot 170:sc= 0 USER MOD Single : A 109 MAN O3 : rot 28:sc= 0.0495 USER MOD Single : A 109 MAN O4 : rot 180:sc= 0 USER MOD Single : A 109 MAN O6 : rot -6:sc= 0.602 USER MOD Single : A 110 MAN O2 : rot 148:sc= 0.0368 USER MOD Single : A 110 MAN O3 : rot 180:sc= 0.0472 USER MOD Single : A 110 MAN O4 : rot 160:sc= 0 USER MOD Single : A 110 MAN O6 : rot 180:sc= 0 USER MOD Single : A 111 MAN O2 : rot 146:sc= 0.0648 USER MOD Single : A 111 MAN O4 : rot 150:sc= 0 USER MOD Single : A 112 MAN O2 : rot -64:sc= 0.376 USER MOD Single : A 112 MAN O3 : rot 28:sc= 0.0323 USER MOD Single : A 112 MAN O4 : rot 160:sc= 0 USER MOD Single : A 112 MAN O6 : rot 180:sc= 0 USER MOD Single : A 113 MAN O3 : rot 23:sc= 0.0378 USER MOD Single : A 113 MAN O4 : rot 160:sc= 0 USER MOD Single : A 113 MAN O6 : rot 180:sc= 0 USER MOD Single : A 114 MAN O2 : rot 150:sc= 0.0303 USER MOD Single : A 114 MAN O3 : rot 180:sc= 0.0281 USER MOD Single : A 114 MAN O4 : rot 170:sc= 0 USER MOD Single : A 114 MAN O6 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 21.558 3.408 -14.763 1.00 0.00 N ATOM 2 CA LYS A 1 20.283 3.017 -15.356 1.00 0.00 C ATOM 3 C LYS A 1 19.213 4.043 -15.065 1.00 0.00 C ATOM 4 O LYS A 1 19.442 5.055 -14.387 1.00 0.00 O ATOM 5 CB LYS A 1 19.871 1.618 -14.821 1.00 0.00 C ATOM 6 CG LYS A 1 21.021 0.581 -14.858 1.00 0.00 C ATOM 7 CD LYS A 1 21.288 -0.034 -16.235 1.00 0.00 C ATOM 8 CE LYS A 1 20.584 -1.395 -16.326 1.00 0.00 C ATOM 9 NZ LYS A 1 21.405 -2.318 -17.128 1.00 0.00 N ATOM 0 H1 LYS A 1 22.338 3.021 -15.331 1.00 0.00 H new ATOM 0 H2 LYS A 1 21.627 4.445 -14.741 1.00 0.00 H new ATOM 0 H3 LYS A 1 21.619 3.036 -13.794 1.00 0.00 H new ATOM 0 HA LYS A 1 20.398 2.964 -16.439 1.00 0.00 H new ATOM 0 HB2 LYS A 1 19.516 1.720 -13.795 1.00 0.00 H new ATOM 0 HB3 LYS A 1 19.035 1.243 -15.412 1.00 0.00 H new ATOM 0 HG2 LYS A 1 21.935 1.060 -14.506 1.00 0.00 H new ATOM 0 HG3 LYS A 1 20.791 -0.221 -14.156 1.00 0.00 H new ATOM 0 HD2 LYS A 1 20.925 0.630 -17.019 1.00 0.00 H new ATOM 0 HD3 LYS A 1 22.360 -0.155 -16.391 1.00 0.00 H new ATOM 0 HE2 LYS A 1 20.428 -1.804 -15.328 1.00 0.00 H new ATOM 0 HE3 LYS A 1 19.600 -1.278 -16.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 20.929 -3.241 -17.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 21.532 -1.928 -18.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 22.334 -2.438 -16.677 1.00 0.00 H new ATOM 25 N GLU A 2 18.024 3.807 -15.587 1.00 0.00 N ATOM 26 CA GLU A 2 16.868 4.647 -15.280 1.00 0.00 C ATOM 27 C GLU A 2 16.313 4.316 -13.914 1.00 0.00 C ATOM 28 O GLU A 2 16.635 3.282 -13.310 1.00 0.00 O ATOM 29 CB GLU A 2 15.807 4.450 -16.398 1.00 0.00 C ATOM 30 CG GLU A 2 14.425 3.815 -16.031 1.00 0.00 C ATOM 31 CD GLU A 2 13.179 4.320 -16.766 1.00 0.00 C ATOM 32 OE1 GLU A 2 12.953 5.653 -16.606 1.00 0.00 O ATOM 33 OE2 GLU A 2 12.457 3.589 -17.431 1.00 0.00 O ATOM 0 H GLU A 2 17.827 3.039 -16.229 1.00 0.00 H new ATOM 0 HA GLU A 2 17.163 5.696 -15.251 1.00 0.00 H new ATOM 0 HB2 GLU A 2 15.613 5.426 -16.842 1.00 0.00 H new ATOM 0 HB3 GLU A 2 16.258 3.831 -17.174 1.00 0.00 H new ATOM 0 HG2 GLU A 2 14.497 2.740 -16.198 1.00 0.00 H new ATOM 0 HG3 GLU A 2 14.264 3.962 -14.963 1.00 0.00 H new ATOM 40 N ILE A 3 15.461 5.188 -13.409 1.00 0.00 N ATOM 41 CA ILE A 3 14.835 4.995 -12.105 1.00 0.00 C ATOM 42 C ILE A 3 13.328 5.035 -12.212 1.00 0.00 C ATOM 43 O ILE A 3 12.749 5.678 -13.100 1.00 0.00 O ATOM 44 CB ILE A 3 15.375 6.038 -11.044 1.00 0.00 C ATOM 45 CG1 ILE A 3 15.233 5.586 -9.555 1.00 0.00 C ATOM 46 CG2 ILE A 3 14.715 7.444 -11.188 1.00 0.00 C ATOM 47 CD1 ILE A 3 15.680 4.143 -9.244 1.00 0.00 C ATOM 0 H ILE A 3 15.181 6.046 -13.884 1.00 0.00 H new ATOM 0 HA ILE A 3 15.110 4.003 -11.748 1.00 0.00 H new ATOM 0 HB ILE A 3 16.437 6.096 -11.280 1.00 0.00 H new ATOM 0 HG12 ILE A 3 15.812 6.268 -8.932 1.00 0.00 H new ATOM 0 HG13 ILE A 3 14.189 5.694 -9.261 1.00 0.00 H new ATOM 0 HG21 ILE A 3 15.124 8.117 -10.434 1.00 0.00 H new ATOM 0 HG22 ILE A 3 14.921 7.843 -12.181 1.00 0.00 H new ATOM 0 HG23 ILE A 3 13.637 7.356 -11.049 1.00 0.00 H new ATOM 0 HD11 ILE A 3 15.537 3.939 -8.183 1.00 0.00 H new ATOM 0 HD12 ILE A 3 15.086 3.443 -9.832 1.00 0.00 H new ATOM 0 HD13 ILE A 3 16.734 4.026 -9.497 1.00 0.00 H new ATOM 59 N THR A 4 12.670 4.329 -11.312 1.00 0.00 N ATOM 60 CA THR A 4 11.216 4.365 -11.196 1.00 0.00 C ATOM 61 C THR A 4 10.798 4.815 -9.814 1.00 0.00 C ATOM 62 O THR A 4 11.615 5.007 -8.903 1.00 0.00 O ATOM 63 CB THR A 4 10.602 2.965 -11.537 1.00 0.00 C ATOM 64 OG1 THR A 4 11.141 1.963 -10.683 1.00 0.00 O ATOM 65 CG2 THR A 4 10.859 2.435 -12.964 1.00 0.00 C ATOM 0 H THR A 4 13.124 3.713 -10.638 1.00 0.00 H new ATOM 0 HA THR A 4 10.833 5.089 -11.915 1.00 0.00 H new ATOM 0 HB THR A 4 9.533 3.140 -11.416 1.00 0.00 H new ATOM 0 HG1 THR A 4 10.746 1.095 -10.908 1.00 0.00 H new ATOM 0 HG21 THR A 4 10.386 1.460 -13.081 1.00 0.00 H new ATOM 0 HG22 THR A 4 10.441 3.131 -13.691 1.00 0.00 H new ATOM 0 HG23 THR A 4 11.932 2.340 -13.129 1.00 0.00 H new ATOM 73 N ASN A 5 9.496 4.971 -9.642 1.00 0.00 N ATOM 74 CA ASN A 5 8.917 5.341 -8.354 1.00 0.00 C ATOM 75 C ASN A 5 7.785 4.400 -7.995 1.00 0.00 C ATOM 76 O ASN A 5 6.703 4.791 -7.540 1.00 0.00 O ATOM 77 CB ASN A 5 8.428 6.817 -8.400 1.00 0.00 C ATOM 78 CG ASN A 5 7.767 7.374 -7.135 1.00 0.00 C ATOM 79 OD1 ASN A 5 6.959 8.291 -7.170 1.00 0.00 O ATOM 80 ND2 ASN A 5 8.096 6.867 -5.978 1.00 0.00 N ATOM 0 H ASN A 5 8.810 4.846 -10.386 1.00 0.00 H new ATOM 0 HA ASN A 5 9.680 5.256 -7.580 1.00 0.00 H new ATOM 0 HB2 ASN A 5 9.283 7.449 -8.641 1.00 0.00 H new ATOM 0 HB3 ASN A 5 7.719 6.913 -9.222 1.00 0.00 H new ATOM 0 HD21 ASN A 5 7.681 7.236 -5.123 1.00 0.00 H new ATOM 0 HD22 ASN A 5 8.768 6.102 -5.929 1.00 0.00 H new ATOM 87 N ALA A 6 8.037 3.118 -8.228 1.00 0.00 N ATOM 88 CA ALA A 6 7.048 2.073 -7.990 1.00 0.00 C ATOM 89 C ALA A 6 7.417 1.226 -6.793 1.00 0.00 C ATOM 90 O ALA A 6 8.499 1.344 -6.201 1.00 0.00 O ATOM 91 CB ALA A 6 6.920 1.249 -9.284 1.00 0.00 C ATOM 0 H ALA A 6 8.928 2.774 -8.586 1.00 0.00 H new ATOM 0 HA ALA A 6 6.080 2.510 -7.745 1.00 0.00 H new ATOM 0 HB1 ALA A 6 6.186 0.456 -9.140 1.00 0.00 H new ATOM 0 HB2 ALA A 6 6.598 1.898 -10.098 1.00 0.00 H new ATOM 0 HB3 ALA A 6 7.886 0.808 -9.532 1.00 0.00 H new ATOM 97 N LEU A 7 6.497 0.360 -6.406 1.00 0.00 N ATOM 98 CA LEU A 7 6.626 -0.444 -5.193 1.00 0.00 C ATOM 99 C LEU A 7 6.514 -1.916 -5.507 1.00 0.00 C ATOM 100 O LEU A 7 5.435 -2.437 -5.827 1.00 0.00 O ATOM 101 CB LEU A 7 5.560 -0.011 -4.145 1.00 0.00 C ATOM 102 CG LEU A 7 5.028 -1.029 -3.102 1.00 0.00 C ATOM 103 CD1 LEU A 7 6.123 -1.366 -2.081 1.00 0.00 C ATOM 104 CD2 LEU A 7 3.776 -0.517 -2.363 1.00 0.00 C ATOM 0 H LEU A 7 5.634 0.190 -6.923 1.00 0.00 H new ATOM 0 HA LEU A 7 7.615 -0.273 -4.767 1.00 0.00 H new ATOM 0 HB2 LEU A 7 5.976 0.831 -3.591 1.00 0.00 H new ATOM 0 HB3 LEU A 7 4.699 0.365 -4.697 1.00 0.00 H new ATOM 0 HG LEU A 7 4.743 -1.925 -3.653 1.00 0.00 H new ATOM 0 HD11 LEU A 7 5.736 -2.081 -1.355 1.00 0.00 H new ATOM 0 HD12 LEU A 7 6.980 -1.800 -2.596 1.00 0.00 H new ATOM 0 HD13 LEU A 7 6.432 -0.457 -1.565 1.00 0.00 H new ATOM 0 HD21 LEU A 7 3.445 -1.267 -1.645 1.00 0.00 H new ATOM 0 HD22 LEU A 7 4.016 0.407 -1.837 1.00 0.00 H new ATOM 0 HD23 LEU A 7 2.980 -0.328 -3.083 1.00 0.00 H new ATOM 116 N GLU A 8 7.634 -2.613 -5.443 1.00 0.00 N ATOM 117 CA GLU A 8 7.645 -4.065 -5.602 1.00 0.00 C ATOM 118 C GLU A 8 6.929 -4.738 -4.456 1.00 0.00 C ATOM 119 O GLU A 8 7.512 -5.023 -3.398 1.00 0.00 O ATOM 120 CB GLU A 8 9.119 -4.550 -5.705 1.00 0.00 C ATOM 121 CG GLU A 8 10.219 -3.709 -4.977 1.00 0.00 C ATOM 122 CD GLU A 8 10.505 -4.001 -3.502 1.00 0.00 C ATOM 123 OE1 GLU A 8 10.663 -5.133 -3.065 1.00 0.00 O ATOM 124 OE2 GLU A 8 10.566 -2.885 -2.725 1.00 0.00 O ATOM 0 H GLU A 8 8.553 -2.200 -5.282 1.00 0.00 H new ATOM 0 HA GLU A 8 7.114 -4.334 -6.515 1.00 0.00 H new ATOM 0 HB2 GLU A 8 9.164 -5.567 -5.316 1.00 0.00 H new ATOM 0 HB3 GLU A 8 9.381 -4.600 -6.762 1.00 0.00 H new ATOM 0 HG2 GLU A 8 11.151 -3.836 -5.527 1.00 0.00 H new ATOM 0 HG3 GLU A 8 9.941 -2.658 -5.059 1.00 0.00 H new ATOM 131 N THR A 9 5.655 -5.025 -4.647 1.00 0.00 N ATOM 132 CA THR A 9 4.883 -5.794 -3.674 1.00 0.00 C ATOM 133 C THR A 9 4.953 -7.270 -3.991 1.00 0.00 C ATOM 134 O THR A 9 5.511 -7.695 -5.010 1.00 0.00 O ATOM 135 CB THR A 9 3.399 -5.285 -3.636 1.00 0.00 C ATOM 136 OG1 THR A 9 2.467 -6.353 -3.454 1.00 0.00 O ATOM 137 CG2 THR A 9 2.908 -4.556 -4.906 1.00 0.00 C ATOM 0 H THR A 9 5.126 -4.738 -5.470 1.00 0.00 H new ATOM 0 HA THR A 9 5.314 -5.648 -2.684 1.00 0.00 H new ATOM 0 HB THR A 9 3.427 -4.587 -2.799 1.00 0.00 H new ATOM 0 HG1 THR A 9 1.872 -6.144 -2.704 1.00 0.00 H new ATOM 0 HG21 THR A 9 1.871 -4.248 -4.771 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.528 -3.677 -5.083 1.00 0.00 H new ATOM 0 HG23 THR A 9 2.978 -5.228 -5.761 1.00 0.00 H new ATOM 145 N TRP A 10 4.411 -8.066 -3.087 1.00 0.00 N ATOM 146 CA TRP A 10 4.480 -9.521 -3.173 1.00 0.00 C ATOM 147 C TRP A 10 3.415 -10.160 -2.315 1.00 0.00 C ATOM 148 O TRP A 10 3.027 -9.614 -1.261 1.00 0.00 O ATOM 149 CB TRP A 10 5.891 -9.980 -2.707 1.00 0.00 C ATOM 150 CG TRP A 10 7.013 -9.633 -3.697 1.00 0.00 C ATOM 151 CD1 TRP A 10 8.010 -8.655 -3.506 1.00 0.00 C ATOM 152 CD2 TRP A 10 7.197 -10.119 -4.974 1.00 0.00 C ATOM 153 NE1 TRP A 10 8.818 -8.510 -4.651 1.00 0.00 N ATOM 154 CE2 TRP A 10 8.290 -9.424 -5.549 1.00 0.00 C ATOM 155 CE3 TRP A 10 6.513 -11.124 -5.707 1.00 0.00 C ATOM 156 CZ2 TRP A 10 8.667 -9.686 -6.885 1.00 0.00 C ATOM 157 CZ3 TRP A 10 6.882 -11.339 -7.035 1.00 0.00 C ATOM 158 CH2 TRP A 10 7.918 -10.602 -7.628 1.00 0.00 C ATOM 0 H TRP A 10 3.908 -7.724 -2.268 1.00 0.00 H new ATOM 0 HA TRP A 10 4.308 -9.831 -4.204 1.00 0.00 H new ATOM 0 HB2 TRP A 10 6.113 -9.520 -1.744 1.00 0.00 H new ATOM 0 HB3 TRP A 10 5.879 -11.058 -2.549 1.00 0.00 H new ATOM 0 HD1 TRP A 10 8.138 -8.088 -2.596 1.00 0.00 H new ATOM 0 HE1 TRP A 10 9.608 -7.879 -4.787 1.00 0.00 H new ATOM 0 HE3 TRP A 10 5.728 -11.707 -5.249 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 9.519 -9.187 -7.324 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 6.361 -12.085 -7.616 1.00 0.00 H new ATOM 0 HH2 TRP A 10 8.140 -10.745 -8.675 1.00 0.00 H new ATOM 169 N GLY A 11 2.915 -11.316 -2.712 1.00 0.00 N ATOM 170 CA GLY A 11 1.920 -12.035 -1.919 1.00 0.00 C ATOM 171 C GLY A 11 1.847 -13.498 -2.280 1.00 0.00 C ATOM 172 O GLY A 11 1.475 -13.879 -3.401 1.00 0.00 O ATOM 0 H GLY A 11 3.179 -11.782 -3.580 1.00 0.00 H new ATOM 0 HA2 GLY A 11 2.162 -11.936 -0.861 1.00 0.00 H new ATOM 0 HA3 GLY A 11 0.942 -11.578 -2.067 1.00 0.00 H new ATOM 176 N ALA A 12 2.177 -14.356 -1.331 1.00 0.00 N ATOM 177 CA ALA A 12 2.010 -15.797 -1.506 1.00 0.00 C ATOM 178 C ALA A 12 0.553 -16.142 -1.710 1.00 0.00 C ATOM 179 O ALA A 12 -0.348 -15.498 -1.140 1.00 0.00 O ATOM 180 CB ALA A 12 2.624 -16.493 -0.279 1.00 0.00 C ATOM 0 H ALA A 12 2.564 -14.084 -0.427 1.00 0.00 H new ATOM 0 HA ALA A 12 2.526 -16.146 -2.401 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.515 -17.573 -0.380 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.682 -16.241 -0.209 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.111 -16.160 0.623 1.00 0.00 H new ATOM 186 N LEU A 13 0.276 -17.138 -2.532 1.00 0.00 N ATOM 187 CA LEU A 13 -1.101 -17.459 -2.903 1.00 0.00 C ATOM 188 C LEU A 13 -1.936 -17.763 -1.679 1.00 0.00 C ATOM 189 O LEU A 13 -1.541 -18.505 -0.769 1.00 0.00 O ATOM 190 CB LEU A 13 -1.160 -18.642 -3.909 1.00 0.00 C ATOM 191 CG LEU A 13 -1.184 -18.322 -5.428 1.00 0.00 C ATOM 192 CD1 LEU A 13 0.239 -18.056 -5.938 1.00 0.00 C ATOM 193 CD2 LEU A 13 -1.832 -19.441 -6.260 1.00 0.00 C ATOM 0 H LEU A 13 0.981 -17.741 -2.957 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.518 -16.580 -3.395 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.299 -19.282 -3.719 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.050 -19.228 -3.680 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.796 -17.429 -5.551 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.208 -17.833 -7.004 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.665 -17.208 -5.402 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.857 -18.938 -5.770 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.821 -19.163 -7.314 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.273 -20.367 -6.123 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.862 -19.587 -5.934 1.00 0.00 H new ATOM 205 N GLY A 14 -3.121 -17.173 -1.650 1.00 0.00 N ATOM 206 CA GLY A 14 -4.063 -17.371 -0.554 1.00 0.00 C ATOM 207 C GLY A 14 -3.685 -16.540 0.648 1.00 0.00 C ATOM 208 O GLY A 14 -3.951 -16.930 1.805 1.00 0.00 O ATOM 0 H GLY A 14 -3.458 -16.546 -2.381 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -5.068 -17.105 -0.882 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -4.087 -18.425 -0.278 1.00 0.00 H new ATOM 212 N GLN A 15 -3.087 -15.383 0.440 1.00 0.00 N ATOM 213 CA GLN A 15 -2.550 -14.579 1.542 1.00 0.00 C ATOM 214 C GLN A 15 -3.279 -13.260 1.637 1.00 0.00 C ATOM 215 O GLN A 15 -3.924 -12.815 0.673 1.00 0.00 O ATOM 216 CB GLN A 15 -1.038 -14.362 1.319 1.00 0.00 C ATOM 217 CG GLN A 15 -0.097 -14.794 2.492 1.00 0.00 C ATOM 218 CD GLN A 15 0.026 -13.890 3.725 1.00 0.00 C ATOM 219 OE1 GLN A 15 0.013 -12.674 3.620 1.00 0.00 O ATOM 220 NE2 GLN A 15 0.147 -14.421 4.915 1.00 0.00 N ATOM 0 H GLN A 15 -2.956 -14.970 -0.483 1.00 0.00 H new ATOM 0 HA GLN A 15 -2.698 -15.106 2.485 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -0.742 -14.908 0.424 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -0.870 -13.304 1.117 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -0.429 -15.774 2.835 1.00 0.00 H new ATOM 0 HG3 GLN A 15 0.903 -14.924 2.079 1.00 0.00 H new ATOM 0 HE21 GLN A 15 0.160 -15.435 5.022 1.00 0.00 H new ATOM 0 HE22 GLN A 15 0.228 -13.821 5.736 1.00 0.00 H new ATOM 229 N ASP A 16 -3.226 -12.613 2.786 1.00 0.00 N ATOM 230 CA ASP A 16 -3.787 -11.267 2.927 1.00 0.00 C ATOM 231 C ASP A 16 -2.678 -10.269 3.172 1.00 0.00 C ATOM 232 O ASP A 16 -1.789 -10.458 4.013 1.00 0.00 O ATOM 233 CB ASP A 16 -4.903 -11.277 4.009 1.00 0.00 C ATOM 234 CG ASP A 16 -5.106 -10.011 4.851 1.00 0.00 C ATOM 235 OD1 ASP A 16 -4.194 -9.323 5.285 1.00 0.00 O ATOM 236 OD2 ASP A 16 -6.432 -9.750 5.090 1.00 0.00 O ATOM 0 H ASP A 16 -2.804 -12.988 3.636 1.00 0.00 H new ATOM 0 HA ASP A 16 -4.270 -10.946 2.004 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -5.847 -11.502 3.512 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -4.698 -12.102 4.692 1.00 0.00 H new ATOM 241 N ILE A 17 -2.709 -9.187 2.409 1.00 0.00 N ATOM 242 CA ILE A 17 -1.610 -8.229 2.381 1.00 0.00 C ATOM 243 C ILE A 17 -2.088 -6.794 2.427 1.00 0.00 C ATOM 244 O ILE A 17 -3.285 -6.481 2.458 1.00 0.00 O ATOM 245 CB ILE A 17 -0.675 -8.482 1.125 1.00 0.00 C ATOM 246 CG1 ILE A 17 -1.029 -7.625 -0.132 1.00 0.00 C ATOM 247 CG2 ILE A 17 -0.637 -9.981 0.694 1.00 0.00 C ATOM 248 CD1 ILE A 17 -2.505 -7.672 -0.582 1.00 0.00 C ATOM 0 H ILE A 17 -3.489 -8.948 1.796 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.025 -8.390 3.286 1.00 0.00 H new ATOM 0 HB ILE A 17 0.306 -8.169 1.483 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.764 -6.588 0.072 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.405 -7.956 -0.962 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.018 -10.095 -0.170 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -0.260 -10.587 1.518 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.643 -10.310 0.432 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.637 -7.042 -1.462 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -2.778 -8.698 -0.826 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -3.143 -7.309 0.224 1.00 0.00 H new ATOM 260 N ASN A 18 -1.120 -5.888 2.447 1.00 0.00 N ATOM 261 CA ASN A 18 -1.385 -4.454 2.461 1.00 0.00 C ATOM 262 C ASN A 18 -0.832 -3.767 1.230 1.00 0.00 C ATOM 263 O ASN A 18 -0.175 -4.355 0.359 1.00 0.00 O ATOM 264 CB ASN A 18 -0.772 -3.828 3.749 1.00 0.00 C ATOM 265 CG ASN A 18 -1.512 -4.074 5.068 1.00 0.00 C ATOM 266 OD1 ASN A 18 -2.376 -4.930 5.184 1.00 0.00 O ATOM 267 ND2 ASN A 18 -1.205 -3.342 6.106 1.00 0.00 N ATOM 0 H ASN A 18 -0.128 -6.126 2.454 1.00 0.00 H new ATOM 0 HA ASN A 18 -2.465 -4.307 2.456 1.00 0.00 H new ATOM 0 HB2 ASN A 18 0.245 -4.205 3.857 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -0.698 -2.751 3.599 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -1.684 -3.490 6.994 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -0.486 -2.623 6.028 1.00 0.00 H new ATOM 274 N LEU A 19 -1.075 -2.471 1.156 1.00 0.00 N ATOM 275 CA LEU A 19 -0.530 -1.588 0.126 1.00 0.00 C ATOM 276 C LEU A 19 -0.026 -0.316 0.774 1.00 0.00 C ATOM 277 O LEU A 19 -0.813 0.599 1.087 1.00 0.00 O ATOM 278 CB LEU A 19 -1.598 -1.302 -0.966 1.00 0.00 C ATOM 279 CG LEU A 19 -1.517 -2.088 -2.303 1.00 0.00 C ATOM 280 CD1 LEU A 19 -0.349 -1.631 -3.192 1.00 0.00 C ATOM 281 CD2 LEU A 19 -1.399 -3.594 -2.028 1.00 0.00 C ATOM 0 H LEU A 19 -1.672 -1.985 1.825 1.00 0.00 H new ATOM 0 HA LEU A 19 0.310 -2.074 -0.371 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.578 -1.491 -0.529 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.554 -0.239 -1.203 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.439 -1.879 -2.846 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.342 -2.215 -4.112 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.467 -0.575 -3.433 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.592 -1.779 -2.661 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.343 -4.133 -2.974 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.498 -3.788 -1.446 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.272 -3.931 -1.469 1.00 0.00 H new ATOM 293 N ASP A 20 1.272 -0.203 0.971 1.00 0.00 N ATOM 294 CA ASP A 20 1.838 0.863 1.795 1.00 0.00 C ATOM 295 C ASP A 20 2.273 2.075 1.004 1.00 0.00 C ATOM 296 O ASP A 20 3.259 2.080 0.254 1.00 0.00 O ATOM 297 CB ASP A 20 3.015 0.298 2.642 1.00 0.00 C ATOM 298 CG ASP A 20 2.652 -0.734 3.719 1.00 0.00 C ATOM 299 OD1 ASP A 20 1.411 -1.277 3.537 1.00 0.00 O ATOM 300 OD2 ASP A 20 3.395 -1.018 4.648 1.00 0.00 O ATOM 0 H ASP A 20 1.964 -0.837 0.572 1.00 0.00 H new ATOM 0 HA ASP A 20 1.043 1.215 2.452 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.736 -0.157 1.963 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.518 1.134 3.127 1.00 0.00 H new ATOM 305 N ILE A 21 1.534 3.161 1.182 1.00 0.00 N ATOM 306 CA ILE A 21 1.898 4.477 0.670 1.00 0.00 C ATOM 307 C ILE A 21 3.043 5.050 1.475 1.00 0.00 C ATOM 308 O ILE A 21 3.249 4.693 2.651 1.00 0.00 O ATOM 309 CB ILE A 21 0.639 5.442 0.639 1.00 0.00 C ATOM 310 CG1 ILE A 21 0.901 6.882 0.089 1.00 0.00 C ATOM 311 CG2 ILE A 21 -0.036 5.584 2.041 1.00 0.00 C ATOM 312 CD1 ILE A 21 1.076 6.996 -1.439 1.00 0.00 C ATOM 0 H ILE A 21 0.652 3.154 1.694 1.00 0.00 H new ATOM 0 HA ILE A 21 2.239 4.376 -0.360 1.00 0.00 H new ATOM 0 HB ILE A 21 -0.022 4.938 -0.067 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.071 7.522 0.389 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.797 7.276 0.569 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.892 6.254 1.966 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.370 4.605 2.385 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.683 5.992 2.751 1.00 0.00 H new ATOM 0 HD11 ILE A 21 1.252 8.037 -1.708 1.00 0.00 H new ATOM 0 HD12 ILE A 21 1.926 6.391 -1.754 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.174 6.640 -1.936 1.00 0.00 H new ATOM 324 N PRO A 22 3.812 5.937 0.879 1.00 0.00 N ATOM 325 CA PRO A 22 4.953 6.738 1.502 1.00 0.00 C ATOM 326 C PRO A 22 4.630 7.362 2.844 1.00 0.00 C ATOM 327 O PRO A 22 3.521 7.258 3.387 1.00 0.00 O ATOM 328 CB PRO A 22 5.303 7.854 0.527 1.00 0.00 C ATOM 329 CG PRO A 22 4.161 7.840 -0.500 1.00 0.00 C ATOM 330 CD PRO A 22 3.729 6.364 -0.542 1.00 0.00 C ATOM 0 HA PRO A 22 5.772 6.042 1.684 1.00 0.00 H new ATOM 0 HB2 PRO A 22 5.370 8.817 1.033 1.00 0.00 H new ATOM 0 HB3 PRO A 22 6.267 7.677 0.051 1.00 0.00 H new ATOM 0 HG2 PRO A 22 3.340 8.489 -0.195 1.00 0.00 H new ATOM 0 HG3 PRO A 22 4.496 8.187 -1.477 1.00 0.00 H new ATOM 0 HD2 PRO A 22 2.719 6.253 -0.936 1.00 0.00 H new ATOM 0 HD3 PRO A 22 4.386 5.771 -1.178 1.00 0.00 H new ATOM 338 N SER A 23 5.622 8.055 3.390 1.00 0.00 N ATOM 339 CA SER A 23 5.518 8.632 4.727 1.00 0.00 C ATOM 340 C SER A 23 4.946 10.032 4.703 1.00 0.00 C ATOM 341 O SER A 23 5.256 10.872 5.567 1.00 0.00 O ATOM 342 CB SER A 23 6.894 8.601 5.442 1.00 0.00 C ATOM 343 OG SER A 23 6.785 8.385 6.853 1.00 0.00 O ATOM 0 H SER A 23 6.513 8.232 2.925 1.00 0.00 H new ATOM 0 HA SER A 23 4.819 8.017 5.294 1.00 0.00 H new ATOM 0 HB2 SER A 23 7.507 7.812 5.005 1.00 0.00 H new ATOM 0 HB3 SER A 23 7.412 9.543 5.263 1.00 0.00 H new ATOM 0 HG SER A 23 7.680 8.373 7.252 1.00 0.00 H new ATOM 349 N PHE A 24 4.088 10.316 3.743 1.00 0.00 N ATOM 350 CA PHE A 24 3.333 11.569 3.688 1.00 0.00 C ATOM 351 C PHE A 24 1.858 11.291 3.853 1.00 0.00 C ATOM 352 O PHE A 24 1.265 10.493 3.098 1.00 0.00 O ATOM 353 CB PHE A 24 3.581 12.277 2.323 1.00 0.00 C ATOM 354 CG PHE A 24 2.705 13.484 1.959 1.00 0.00 C ATOM 355 CD1 PHE A 24 1.787 13.999 2.880 1.00 0.00 C ATOM 356 CD2 PHE A 24 2.819 14.081 0.697 1.00 0.00 C ATOM 357 CE1 PHE A 24 0.989 15.089 2.545 1.00 0.00 C ATOM 358 CE2 PHE A 24 2.027 15.177 0.367 1.00 0.00 C ATOM 359 CZ PHE A 24 1.114 15.682 1.291 1.00 0.00 C ATOM 0 H PHE A 24 3.888 9.683 2.969 1.00 0.00 H new ATOM 0 HA PHE A 24 3.668 12.218 4.497 1.00 0.00 H new ATOM 0 HB2 PHE A 24 4.621 12.603 2.302 1.00 0.00 H new ATOM 0 HB3 PHE A 24 3.464 11.532 1.536 1.00 0.00 H new ATOM 0 HD1 PHE A 24 1.697 13.548 3.857 1.00 0.00 H new ATOM 0 HD2 PHE A 24 3.523 13.690 -0.022 1.00 0.00 H new ATOM 0 HE1 PHE A 24 0.274 15.474 3.257 1.00 0.00 H new ATOM 0 HE2 PHE A 24 2.120 15.636 -0.606 1.00 0.00 H new ATOM 0 HZ PHE A 24 0.503 16.534 1.034 1.00 0.00 H new ATOM 369 N GLN A 25 1.226 11.903 4.837 1.00 0.00 N ATOM 370 CA GLN A 25 -0.158 11.578 5.178 1.00 0.00 C ATOM 371 C GLN A 25 -0.948 12.804 5.583 1.00 0.00 C ATOM 372 O GLN A 25 -0.429 13.917 5.744 1.00 0.00 O ATOM 373 CB GLN A 25 -0.151 10.533 6.316 1.00 0.00 C ATOM 374 CG GLN A 25 -0.781 9.141 5.976 1.00 0.00 C ATOM 375 CD GLN A 25 -2.048 9.087 5.114 1.00 0.00 C ATOM 376 OE1 GLN A 25 -3.158 9.096 5.622 1.00 0.00 O ATOM 377 NE2 GLN A 25 -1.950 9.055 3.809 1.00 0.00 N ATOM 0 H GLN A 25 1.644 12.629 5.418 1.00 0.00 H new ATOM 0 HA GLN A 25 -0.650 11.170 4.295 1.00 0.00 H new ATOM 0 HB2 GLN A 25 0.881 10.375 6.631 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -0.684 10.952 7.170 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.016 8.548 5.474 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.004 8.642 6.919 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -1.031 9.047 3.367 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -2.793 9.038 3.235 1.00 0.00 H new ATOM 386 N MET A 26 -2.242 12.596 5.771 1.00 0.00 N ATOM 387 CA MET A 26 -3.182 13.676 6.052 1.00 0.00 C ATOM 388 C MET A 26 -2.907 14.304 7.399 1.00 0.00 C ATOM 389 O MET A 26 -2.065 13.841 8.182 1.00 0.00 O ATOM 390 CB MET A 26 -4.639 13.137 5.984 1.00 0.00 C ATOM 391 CG MET A 26 -4.950 11.928 6.892 1.00 0.00 C ATOM 392 SD MET A 26 -6.719 11.590 6.877 1.00 0.00 S ATOM 393 CE MET A 26 -6.774 10.401 8.226 1.00 0.00 C ATOM 0 H MET A 26 -2.673 11.672 5.733 1.00 0.00 H new ATOM 0 HA MET A 26 -3.054 14.451 5.296 1.00 0.00 H new ATOM 0 HB2 MET A 26 -5.319 13.948 6.245 1.00 0.00 H new ATOM 0 HB3 MET A 26 -4.856 12.858 4.953 1.00 0.00 H new ATOM 0 HG2 MET A 26 -4.401 11.052 6.547 1.00 0.00 H new ATOM 0 HG3 MET A 26 -4.618 12.132 7.910 1.00 0.00 H new ATOM 0 HE1 MET A 26 -7.465 9.597 7.974 1.00 0.00 H new ATOM 0 HE2 MET A 26 -5.779 9.987 8.387 1.00 0.00 H new ATOM 0 HE3 MET A 26 -7.111 10.898 9.136 1.00 0.00 H new ATOM 403 N SER A 27 -3.637 15.364 7.697 1.00 0.00 N ATOM 404 CA SER A 27 -3.556 16.022 8.998 1.00 0.00 C ATOM 405 C SER A 27 -4.554 17.161 9.094 1.00 0.00 C ATOM 406 O SER A 27 -5.474 17.182 9.921 1.00 0.00 O ATOM 407 CB SER A 27 -2.111 16.502 9.284 1.00 0.00 C ATOM 408 OG SER A 27 -2.063 17.625 10.171 1.00 0.00 O ATOM 0 H SER A 27 -4.300 15.794 7.052 1.00 0.00 H new ATOM 0 HA SER A 27 -3.818 15.294 9.766 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.539 15.680 9.715 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.629 16.767 8.343 1.00 0.00 H new ATOM 0 HG SER A 27 -1.130 17.886 10.319 1.00 0.00 H new ATOM 414 N ASP A 28 -4.370 18.128 8.202 1.00 0.00 N ATOM 415 CA ASP A 28 -5.211 19.319 8.169 1.00 0.00 C ATOM 416 C ASP A 28 -6.555 19.018 7.545 1.00 0.00 C ATOM 417 O ASP A 28 -7.484 18.541 8.228 1.00 0.00 O ATOM 418 CB ASP A 28 -4.483 20.485 7.450 1.00 0.00 C ATOM 419 CG ASP A 28 -3.485 20.121 6.339 1.00 0.00 C ATOM 420 OD1 ASP A 28 -3.583 19.148 5.606 1.00 0.00 O ATOM 421 OD2 ASP A 28 -2.465 21.038 6.240 1.00 0.00 O ATOM 0 H ASP A 28 -3.642 18.110 7.488 1.00 0.00 H new ATOM 0 HA ASP A 28 -5.400 19.636 9.195 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -5.241 21.140 7.020 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -3.950 21.065 8.204 1.00 0.00 H new ATOM 426 N ASP A 29 -6.701 19.256 6.256 1.00 0.00 N ATOM 427 CA ASP A 29 -7.993 19.142 5.579 1.00 0.00 C ATOM 428 C ASP A 29 -7.945 18.157 4.434 1.00 0.00 C ATOM 429 O ASP A 29 -8.695 18.287 3.444 1.00 0.00 O ATOM 430 CB ASP A 29 -8.467 20.544 5.109 1.00 0.00 C ATOM 431 CG ASP A 29 -8.597 21.625 6.190 1.00 0.00 C ATOM 432 OD1 ASP A 29 -8.391 21.141 7.452 1.00 0.00 O ATOM 433 OD2 ASP A 29 -8.848 22.795 5.937 1.00 0.00 O ATOM 0 H ASP A 29 -5.934 19.534 5.644 1.00 0.00 H new ATOM 0 HA ASP A 29 -8.719 18.750 6.291 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.770 20.902 4.351 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -9.436 20.430 4.623 1.00 0.00 H new ATOM 438 N ILE A 30 -7.073 17.170 4.506 1.00 0.00 N ATOM 439 CA ILE A 30 -7.058 16.087 3.521 1.00 0.00 C ATOM 440 C ILE A 30 -8.252 15.181 3.721 1.00 0.00 C ATOM 441 O ILE A 30 -8.439 14.595 4.803 1.00 0.00 O ATOM 442 CB ILE A 30 -5.688 15.295 3.552 1.00 0.00 C ATOM 443 CG1 ILE A 30 -4.414 16.197 3.478 1.00 0.00 C ATOM 444 CG2 ILE A 30 -5.586 14.219 2.427 1.00 0.00 C ATOM 445 CD1 ILE A 30 -3.994 16.656 2.066 1.00 0.00 C ATOM 0 H ILE A 30 -6.363 17.089 5.233 1.00 0.00 H new ATOM 0 HA ILE A 30 -7.137 16.522 2.525 1.00 0.00 H new ATOM 0 HB ILE A 30 -5.707 14.814 4.530 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.583 17.082 4.091 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.581 15.654 3.925 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.626 13.708 2.498 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.392 13.494 2.543 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.669 14.702 1.453 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.100 17.275 2.136 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.784 15.784 1.447 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.801 17.234 1.616 1.00 0.00 H new ATOM 457 N ASP A 31 -9.064 15.028 2.693 1.00 0.00 N ATOM 458 CA ASP A 31 -10.340 14.324 2.809 1.00 0.00 C ATOM 459 C ASP A 31 -10.446 13.142 1.873 1.00 0.00 C ATOM 460 O ASP A 31 -11.099 12.125 2.219 1.00 0.00 O ATOM 461 CB ASP A 31 -11.511 15.324 2.588 1.00 0.00 C ATOM 462 CG ASP A 31 -12.636 15.324 3.633 1.00 0.00 C ATOM 463 OD1 ASP A 31 -12.263 14.768 4.824 1.00 0.00 O ATOM 464 OD2 ASP A 31 -13.744 15.797 3.416 1.00 0.00 O ATOM 0 H ASP A 31 -8.866 15.383 1.757 1.00 0.00 H new ATOM 0 HA ASP A 31 -10.400 13.914 3.817 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -11.093 16.330 2.541 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -11.954 15.117 1.614 1.00 0.00 H new ATOM 469 N ASP A 32 -9.829 13.183 0.709 1.00 0.00 N ATOM 470 CA ASP A 32 -10.031 12.144 -0.304 1.00 0.00 C ATOM 471 C ASP A 32 -8.893 11.152 -0.307 1.00 0.00 C ATOM 472 O ASP A 32 -7.716 11.495 -0.126 1.00 0.00 O ATOM 473 CB ASP A 32 -10.242 12.792 -1.697 1.00 0.00 C ATOM 474 CG ASP A 32 -11.672 13.245 -2.034 1.00 0.00 C ATOM 475 OD1 ASP A 32 -12.273 13.910 -1.002 1.00 0.00 O ATOM 476 OD2 ASP A 32 -12.204 13.026 -3.112 1.00 0.00 O ATOM 0 H ASP A 32 -9.182 13.921 0.433 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.932 11.584 -0.055 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -9.583 13.657 -1.774 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -9.922 12.079 -2.457 1.00 0.00 H new ATOM 481 N ILE A 33 -9.233 9.892 -0.514 1.00 0.00 N ATOM 482 CA ILE A 33 -8.259 8.805 -0.501 1.00 0.00 C ATOM 483 C ILE A 33 -8.673 7.700 -1.444 1.00 0.00 C ATOM 484 O ILE A 33 -9.565 6.890 -1.141 1.00 0.00 O ATOM 485 CB ILE A 33 -8.021 8.264 0.967 1.00 0.00 C ATOM 486 CG1 ILE A 33 -7.994 9.366 2.074 1.00 0.00 C ATOM 487 CG2 ILE A 33 -6.718 7.417 1.096 1.00 0.00 C ATOM 488 CD1 ILE A 33 -8.075 8.861 3.529 1.00 0.00 C ATOM 0 H ILE A 33 -10.190 9.590 -0.696 1.00 0.00 H new ATOM 0 HA ILE A 33 -7.307 9.201 -0.855 1.00 0.00 H new ATOM 0 HB ILE A 33 -8.896 7.636 1.137 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -7.077 9.945 1.961 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -8.825 10.049 1.900 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -6.608 7.073 2.124 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -6.776 6.556 0.430 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -5.858 8.029 0.824 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -8.048 9.711 4.211 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -9.005 8.310 3.672 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -7.229 8.204 3.734 1.00 0.00 H new ATOM 500 N LYS A 34 -8.023 7.620 -2.590 1.00 0.00 N ATOM 501 CA LYS A 34 -8.431 6.693 -3.642 1.00 0.00 C ATOM 502 C LYS A 34 -7.386 5.623 -3.893 1.00 0.00 C ATOM 503 O LYS A 34 -6.174 5.792 -3.706 1.00 0.00 O ATOM 504 CB LYS A 34 -8.725 7.488 -4.944 1.00 0.00 C ATOM 505 CG LYS A 34 -9.508 6.677 -6.012 1.00 0.00 C ATOM 506 CD LYS A 34 -9.055 6.927 -7.454 1.00 0.00 C ATOM 507 CE LYS A 34 -10.109 6.382 -8.427 1.00 0.00 C ATOM 508 NZ LYS A 34 -9.759 6.784 -9.801 1.00 0.00 N ATOM 0 H LYS A 34 -7.207 8.186 -2.821 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.335 6.181 -3.313 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.294 8.382 -4.691 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.781 7.822 -5.375 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.406 5.615 -5.791 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -10.568 6.919 -5.930 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -8.910 7.994 -7.620 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -8.095 6.443 -7.633 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -10.159 5.295 -8.355 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -11.095 6.764 -8.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -10.162 6.102 -10.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -10.143 7.731 -9.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -8.724 6.803 -9.904 1.00 0.00 H new ATOM 522 N TRP A 35 -7.864 4.481 -4.357 1.00 0.00 N ATOM 523 CA TRP A 35 -7.036 3.361 -4.795 1.00 0.00 C ATOM 524 C TRP A 35 -7.697 2.682 -5.978 1.00 0.00 C ATOM 525 O TRP A 35 -8.885 2.306 -5.900 1.00 0.00 O ATOM 526 CB TRP A 35 -6.865 2.339 -3.641 1.00 0.00 C ATOM 527 CG TRP A 35 -5.700 2.561 -2.673 1.00 0.00 C ATOM 528 CD1 TRP A 35 -5.778 3.260 -1.447 1.00 0.00 C ATOM 529 CD2 TRP A 35 -4.419 2.057 -2.744 1.00 0.00 C ATOM 530 NE1 TRP A 35 -4.563 3.193 -0.738 1.00 0.00 N ATOM 531 CE2 TRP A 35 -3.739 2.439 -1.559 1.00 0.00 C ATOM 532 CE3 TRP A 35 -3.755 1.300 -3.746 1.00 0.00 C ATOM 533 CZ2 TRP A 35 -2.409 2.014 -1.337 1.00 0.00 C ATOM 534 CZ3 TRP A 35 -2.456 0.857 -3.484 1.00 0.00 C ATOM 535 CH2 TRP A 35 -1.805 1.188 -2.287 1.00 0.00 C ATOM 0 H TRP A 35 -8.864 4.299 -4.443 1.00 0.00 H new ATOM 0 HA TRP A 35 -6.054 3.735 -5.085 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -7.788 2.328 -3.061 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -6.753 1.348 -4.082 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -6.658 3.780 -1.098 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -4.341 3.604 0.169 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -4.240 1.073 -4.684 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -1.872 2.322 -0.452 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -1.945 0.249 -4.216 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -0.817 0.796 -2.096 1.00 0.00 H new ATOM 546 N GLU A 36 -6.998 2.523 -7.083 1.00 0.00 N ATOM 547 CA GLU A 36 -7.620 2.044 -8.319 1.00 0.00 C ATOM 548 C GLU A 36 -6.800 0.949 -8.953 1.00 0.00 C ATOM 549 O GLU A 36 -5.647 0.690 -8.551 1.00 0.00 O ATOM 550 CB GLU A 36 -7.776 3.259 -9.279 1.00 0.00 C ATOM 551 CG GLU A 36 -8.121 3.006 -10.783 1.00 0.00 C ATOM 552 CD GLU A 36 -8.700 4.167 -11.598 1.00 0.00 C ATOM 553 OE1 GLU A 36 -7.762 5.043 -12.051 1.00 0.00 O ATOM 554 OE2 GLU A 36 -9.898 4.291 -11.815 1.00 0.00 O ATOM 0 H GLU A 36 -5.999 2.716 -7.159 1.00 0.00 H new ATOM 0 HA GLU A 36 -8.598 1.614 -8.101 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -8.553 3.903 -8.868 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.844 3.824 -9.247 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.212 2.670 -11.281 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -8.832 2.181 -10.827 1.00 0.00 H new ATOM 561 N LYS A 37 -7.352 0.268 -9.939 1.00 0.00 N ATOM 562 CA LYS A 37 -6.575 -0.687 -10.733 1.00 0.00 C ATOM 563 C LYS A 37 -5.832 0.062 -11.816 1.00 0.00 C ATOM 564 O LYS A 37 -6.466 0.724 -12.665 1.00 0.00 O ATOM 565 CB LYS A 37 -7.507 -1.781 -11.320 1.00 0.00 C ATOM 566 CG LYS A 37 -8.452 -2.415 -10.268 1.00 0.00 C ATOM 567 CD LYS A 37 -8.658 -3.928 -10.399 1.00 0.00 C ATOM 568 CE LYS A 37 -10.121 -4.206 -10.770 1.00 0.00 C ATOM 569 NZ LYS A 37 -10.993 -3.839 -9.641 1.00 0.00 N ATOM 0 H LYS A 37 -8.330 0.352 -10.215 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.844 -1.193 -10.102 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -8.106 -1.346 -12.120 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -6.897 -2.565 -11.769 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -8.057 -2.204 -9.275 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.424 -1.926 -10.335 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -7.993 -4.333 -11.162 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -8.407 -4.424 -9.461 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -10.397 -3.635 -11.657 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -10.251 -5.260 -11.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -11.896 -4.348 -9.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -10.529 -4.095 -8.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -11.170 -2.814 -9.658 1.00 0.00 H new ATOM 583 N THR A 38 -4.514 0.032 -11.806 1.00 0.00 N ATOM 584 CA THR A 38 -3.731 0.891 -12.699 1.00 0.00 C ATOM 585 C THR A 38 -4.148 0.709 -14.140 1.00 0.00 C ATOM 586 O THR A 38 -4.342 1.673 -14.894 1.00 0.00 O ATOM 587 CB THR A 38 -2.194 0.629 -12.545 1.00 0.00 C ATOM 588 OG1 THR A 38 -1.899 -0.734 -12.817 1.00 0.00 O ATOM 589 CG2 THR A 38 -1.586 0.890 -11.150 1.00 0.00 C ATOM 0 H THR A 38 -3.958 -0.570 -11.198 1.00 0.00 H new ATOM 0 HA THR A 38 -3.933 1.922 -12.409 1.00 0.00 H new ATOM 0 HB THR A 38 -1.760 1.341 -13.247 1.00 0.00 H new ATOM 0 HG1 THR A 38 -1.277 -0.790 -13.572 1.00 0.00 H new ATOM 0 HG21 THR A 38 -0.518 0.673 -11.172 1.00 0.00 H new ATOM 0 HG22 THR A 38 -1.738 1.934 -10.876 1.00 0.00 H new ATOM 0 HG23 THR A 38 -2.072 0.248 -10.415 1.00 0.00 H new ATOM 597 N SER A 39 -4.314 -0.538 -14.542 1.00 0.00 N ATOM 598 CA SER A 39 -4.581 -0.884 -15.937 1.00 0.00 C ATOM 599 C SER A 39 -5.870 -0.264 -16.421 1.00 0.00 C ATOM 600 O SER A 39 -5.884 0.804 -17.055 1.00 0.00 O ATOM 601 CB SER A 39 -4.583 -2.421 -16.134 1.00 0.00 C ATOM 602 OG SER A 39 -3.264 -2.975 -16.192 1.00 0.00 O ATOM 0 H SER A 39 -4.269 -1.342 -13.916 1.00 0.00 H new ATOM 0 HA SER A 39 -3.775 -0.471 -16.544 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.132 -2.887 -15.316 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.115 -2.664 -17.054 1.00 0.00 H new ATOM 0 HG SER A 39 -3.322 -3.945 -16.315 1.00 0.00 H new ATOM 608 N ASP A 40 -6.980 -0.928 -16.154 1.00 0.00 N ATOM 609 CA ASP A 40 -8.278 -0.503 -16.677 1.00 0.00 C ATOM 610 C ASP A 40 -8.911 0.594 -15.844 1.00 0.00 C ATOM 611 O ASP A 40 -10.123 0.865 -15.986 1.00 0.00 O ATOM 612 CB ASP A 40 -9.222 -1.730 -16.804 1.00 0.00 C ATOM 613 CG ASP A 40 -8.560 -3.115 -16.791 1.00 0.00 C ATOM 614 OD1 ASP A 40 -8.336 -3.738 -15.764 1.00 0.00 O ATOM 615 OD2 ASP A 40 -8.275 -3.578 -18.046 1.00 0.00 O ATOM 0 H ASP A 40 -7.015 -1.768 -15.576 1.00 0.00 H new ATOM 0 HA ASP A 40 -8.113 -0.075 -17.666 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -9.943 -1.690 -15.988 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -9.785 -1.631 -17.732 1.00 0.00 H new ATOM 620 N LYS A 41 -8.167 1.225 -14.957 1.00 0.00 N ATOM 621 CA LYS A 41 -8.635 2.390 -14.199 1.00 0.00 C ATOM 622 C LYS A 41 -9.960 2.084 -13.537 1.00 0.00 C ATOM 623 O LYS A 41 -11.001 2.705 -13.791 1.00 0.00 O ATOM 624 CB LYS A 41 -8.719 3.627 -15.134 1.00 0.00 C ATOM 625 CG LYS A 41 -9.870 3.596 -16.169 1.00 0.00 C ATOM 626 CD LYS A 41 -9.584 4.354 -17.470 1.00 0.00 C ATOM 627 CE LYS A 41 -10.524 5.562 -17.571 1.00 0.00 C ATOM 628 NZ LYS A 41 -11.892 5.147 -17.213 1.00 0.00 N ATOM 0 H LYS A 41 -7.211 0.948 -14.733 1.00 0.00 H new ATOM 0 HA LYS A 41 -7.924 2.623 -13.406 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.829 4.520 -14.519 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -7.774 3.723 -15.669 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -10.094 2.557 -16.412 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -10.765 4.016 -15.709 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -8.545 4.684 -17.491 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.726 3.695 -18.327 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -10.187 6.356 -16.905 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -10.508 5.966 -18.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -12.579 5.744 -17.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -12.035 4.153 -17.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -12.029 5.252 -16.187 1.00 0.00 H new ATOM 642 N LYS A 42 -9.925 1.109 -12.638 1.00 0.00 N ATOM 643 CA LYS A 42 -11.138 0.589 -12.015 1.00 0.00 C ATOM 644 C LYS A 42 -11.132 0.769 -10.513 1.00 0.00 C ATOM 645 O LYS A 42 -10.520 0.018 -9.743 1.00 0.00 O ATOM 646 CB LYS A 42 -11.307 -0.911 -12.388 1.00 0.00 C ATOM 647 CG LYS A 42 -12.625 -1.531 -11.859 1.00 0.00 C ATOM 648 CD LYS A 42 -13.504 -2.190 -12.926 1.00 0.00 C ATOM 649 CE LYS A 42 -14.869 -2.531 -12.314 1.00 0.00 C ATOM 650 NZ LYS A 42 -15.828 -2.836 -13.390 1.00 0.00 N ATOM 0 H LYS A 42 -9.066 0.660 -12.322 1.00 0.00 H new ATOM 0 HA LYS A 42 -11.985 1.160 -12.395 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -11.275 -1.014 -13.473 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -10.463 -1.474 -11.989 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -12.380 -2.275 -11.101 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -13.203 -0.751 -11.365 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -13.630 -1.519 -13.776 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -13.025 -3.094 -13.302 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -14.775 -3.385 -11.643 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -15.231 -1.694 -11.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -16.753 -3.067 -12.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -15.925 -2.009 -14.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -15.484 -3.647 -13.942 1.00 0.00 H new ATOM 664 N LYS A 43 -11.874 1.772 -10.062 1.00 0.00 N ATOM 665 CA LYS A 43 -12.050 2.068 -8.644 1.00 0.00 C ATOM 666 C LYS A 43 -12.319 0.817 -7.836 1.00 0.00 C ATOM 667 O LYS A 43 -13.184 -0.013 -8.146 1.00 0.00 O ATOM 668 CB LYS A 43 -13.211 3.088 -8.473 1.00 0.00 C ATOM 669 CG LYS A 43 -12.972 4.103 -7.327 1.00 0.00 C ATOM 670 CD LYS A 43 -14.218 4.455 -6.508 1.00 0.00 C ATOM 671 CE LYS A 43 -15.095 5.423 -7.313 1.00 0.00 C ATOM 672 NZ LYS A 43 -16.251 4.694 -7.863 1.00 0.00 N ATOM 0 H LYS A 43 -12.377 2.411 -10.677 1.00 0.00 H new ATOM 0 HA LYS A 43 -11.123 2.499 -8.266 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -13.348 3.632 -9.408 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -14.137 2.545 -8.281 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -12.215 3.699 -6.655 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -12.563 5.020 -7.752 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -14.778 3.551 -6.269 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -13.928 4.910 -5.561 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -15.435 6.239 -6.675 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -14.515 5.870 -8.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -16.847 5.349 -8.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -15.916 3.930 -8.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -16.808 4.287 -7.084 1.00 0.00 H new ATOM 686 N ILE A 44 -11.568 0.672 -6.755 1.00 0.00 N ATOM 687 CA ILE A 44 -11.655 -0.482 -5.868 1.00 0.00 C ATOM 688 C ILE A 44 -11.852 -0.044 -4.433 1.00 0.00 C ATOM 689 O ILE A 44 -12.658 -0.601 -3.674 1.00 0.00 O ATOM 690 CB ILE A 44 -10.394 -1.426 -6.026 1.00 0.00 C ATOM 691 CG1 ILE A 44 -9.033 -0.769 -5.628 1.00 0.00 C ATOM 692 CG2 ILE A 44 -10.247 -2.005 -7.468 1.00 0.00 C ATOM 693 CD1 ILE A 44 -7.892 -1.743 -5.271 1.00 0.00 C ATOM 0 H ILE A 44 -10.873 1.359 -6.464 1.00 0.00 H new ATOM 0 HA ILE A 44 -12.529 -1.065 -6.157 1.00 0.00 H new ATOM 0 HB ILE A 44 -10.603 -2.228 -5.319 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -8.701 -0.139 -6.453 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -9.205 -0.113 -4.775 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -9.365 -2.644 -7.515 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -11.133 -2.589 -7.717 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -10.140 -1.186 -8.180 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -6.998 -1.176 -5.012 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -8.191 -2.358 -4.422 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -7.680 -2.384 -6.127 1.00 0.00 H new ATOM 705 N ALA A 45 -11.109 0.973 -4.037 1.00 0.00 N ATOM 706 CA ALA A 45 -11.231 1.587 -2.717 1.00 0.00 C ATOM 707 C ALA A 45 -11.114 3.094 -2.825 1.00 0.00 C ATOM 708 O ALA A 45 -10.119 3.600 -3.393 1.00 0.00 O ATOM 709 CB ALA A 45 -10.152 0.961 -1.815 1.00 0.00 C ATOM 0 H ALA A 45 -10.395 1.404 -4.625 1.00 0.00 H new ATOM 0 HA ALA A 45 -12.209 1.397 -2.276 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.213 1.397 -0.818 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -10.311 -0.115 -1.751 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -9.166 1.157 -2.237 1.00 0.00 H new ATOM 715 N GLN A 46 -12.057 3.848 -2.292 1.00 0.00 N ATOM 716 CA GLN A 46 -12.060 5.302 -2.488 1.00 0.00 C ATOM 717 C GLN A 46 -12.884 6.041 -1.457 1.00 0.00 C ATOM 718 O GLN A 46 -13.915 5.579 -0.949 1.00 0.00 O ATOM 719 CB GLN A 46 -12.589 5.594 -3.911 1.00 0.00 C ATOM 720 CG GLN A 46 -12.987 7.079 -4.205 1.00 0.00 C ATOM 721 CD GLN A 46 -12.674 7.679 -5.581 1.00 0.00 C ATOM 722 OE1 GLN A 46 -12.772 7.011 -6.598 1.00 0.00 O ATOM 723 NE2 GLN A 46 -12.317 8.934 -5.681 1.00 0.00 N ATOM 0 H GLN A 46 -12.826 3.492 -1.725 1.00 0.00 H new ATOM 0 HA GLN A 46 -11.039 5.664 -2.367 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -11.826 5.294 -4.629 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -13.460 4.963 -4.090 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -14.061 7.169 -4.045 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -12.500 7.704 -3.456 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -12.230 9.508 -4.842 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -12.126 9.338 -6.598 1.00 0.00 H new ATOM 732 N PHE A 47 -12.436 7.247 -1.142 1.00 0.00 N ATOM 733 CA PHE A 47 -13.164 8.188 -0.297 1.00 0.00 C ATOM 734 C PHE A 47 -13.349 9.506 -1.018 1.00 0.00 C ATOM 735 O PHE A 47 -12.365 10.143 -1.446 1.00 0.00 O ATOM 736 CB PHE A 47 -12.386 8.463 1.028 1.00 0.00 C ATOM 737 CG PHE A 47 -12.783 7.647 2.269 1.00 0.00 C ATOM 738 CD1 PHE A 47 -13.386 6.394 2.122 1.00 0.00 C ATOM 739 CD2 PHE A 47 -12.485 8.123 3.550 1.00 0.00 C ATOM 740 CE1 PHE A 47 -13.665 5.614 3.239 1.00 0.00 C ATOM 741 CE2 PHE A 47 -12.770 7.343 4.668 1.00 0.00 C ATOM 742 CZ PHE A 47 -13.356 6.089 4.512 1.00 0.00 C ATOM 0 H PHE A 47 -11.541 7.608 -1.471 1.00 0.00 H new ATOM 0 HA PHE A 47 -14.132 7.743 -0.068 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -11.327 8.291 0.837 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -12.499 9.520 1.271 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -13.636 6.030 1.136 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -12.033 9.096 3.672 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -14.120 4.642 3.120 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -12.537 7.711 5.656 1.00 0.00 H new ATOM 0 HZ PHE A 47 -13.571 5.483 5.380 1.00 0.00 H new ATOM 752 N ARG A 48 -14.580 9.943 -1.195 1.00 0.00 N ATOM 753 CA ARG A 48 -14.860 11.156 -1.965 1.00 0.00 C ATOM 754 C ARG A 48 -16.205 11.737 -1.595 1.00 0.00 C ATOM 755 O ARG A 48 -17.265 11.156 -1.868 1.00 0.00 O ATOM 756 CB ARG A 48 -14.783 10.823 -3.480 1.00 0.00 C ATOM 757 CG ARG A 48 -15.559 9.552 -3.914 1.00 0.00 C ATOM 758 CD ARG A 48 -16.111 9.659 -5.342 1.00 0.00 C ATOM 759 NE ARG A 48 -16.900 10.913 -5.444 1.00 0.00 N ATOM 760 CZ ARG A 48 -17.161 11.570 -6.566 1.00 0.00 C ATOM 761 NH1 ARG A 48 -16.739 11.210 -7.743 1.00 0.00 N ATOM 762 NH2 ARG A 48 -17.880 12.632 -6.478 1.00 0.00 N ATOM 0 H ARG A 48 -15.408 9.481 -0.819 1.00 0.00 H new ATOM 0 HA ARG A 48 -14.113 11.914 -1.730 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -15.166 11.674 -4.043 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -13.736 10.703 -3.757 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -14.899 8.687 -3.847 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -16.383 9.379 -3.222 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -15.295 9.664 -6.065 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -16.737 8.797 -5.573 1.00 0.00 H new ATOM 0 HE ARG A 48 -17.273 11.302 -4.578 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -16.167 10.372 -7.845 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -16.980 11.766 -8.563 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -18.226 12.940 -5.569 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -18.104 13.167 -7.317 1.00 0.00 H new ATOM 776 N LYS A 49 -16.180 12.908 -0.985 1.00 0.00 N ATOM 777 CA LYS A 49 -17.389 13.527 -0.448 1.00 0.00 C ATOM 778 C LYS A 49 -17.930 12.721 0.709 1.00 0.00 C ATOM 779 O LYS A 49 -17.838 11.484 0.743 1.00 0.00 O ATOM 780 CB LYS A 49 -18.447 13.668 -1.577 1.00 0.00 C ATOM 781 CG LYS A 49 -19.414 14.861 -1.373 1.00 0.00 C ATOM 782 CD LYS A 49 -19.018 16.145 -2.110 1.00 0.00 C ATOM 783 CE LYS A 49 -19.497 17.358 -1.302 1.00 0.00 C ATOM 784 NZ LYS A 49 -18.349 17.971 -0.611 1.00 0.00 N ATOM 0 H LYS A 49 -15.331 13.457 -0.846 1.00 0.00 H new ATOM 0 HA LYS A 49 -17.147 14.521 -0.072 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -17.934 13.785 -2.532 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -19.027 12.747 -1.638 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -20.410 14.563 -1.701 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -19.481 15.077 -0.307 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -17.937 16.184 -2.241 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -19.461 16.158 -3.106 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -19.968 18.086 -1.963 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -20.250 17.051 -0.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -18.673 18.793 -0.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -17.918 17.275 0.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -17.645 18.278 -1.312 1.00 0.00 H new ATOM 798 N GLU A 50 -18.492 13.403 1.690 1.00 0.00 N ATOM 799 CA GLU A 50 -19.080 12.743 2.853 1.00 0.00 C ATOM 800 C GLU A 50 -20.543 12.428 2.643 1.00 0.00 C ATOM 801 O GLU A 50 -21.346 12.426 3.598 1.00 0.00 O ATOM 802 CB GLU A 50 -18.881 13.665 4.090 1.00 0.00 C ATOM 803 CG GLU A 50 -19.323 13.105 5.482 1.00 0.00 C ATOM 804 CD GLU A 50 -20.319 13.920 6.310 1.00 0.00 C ATOM 805 OE1 GLU A 50 -19.766 15.004 6.922 1.00 0.00 O ATOM 806 OE2 GLU A 50 -21.502 13.622 6.411 1.00 0.00 O ATOM 0 H GLU A 50 -18.556 14.421 1.709 1.00 0.00 H new ATOM 0 HA GLU A 50 -18.580 11.788 3.013 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -17.824 13.924 4.151 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -19.426 14.592 3.911 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -19.755 12.117 5.321 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -18.425 12.966 6.084 1.00 0.00 H new ATOM 813 N LYS A 51 -20.937 12.140 1.419 1.00 0.00 N ATOM 814 CA LYS A 51 -22.295 11.668 1.098 1.00 0.00 C ATOM 815 C LYS A 51 -22.375 10.183 0.753 1.00 0.00 C ATOM 816 O LYS A 51 -23.450 9.591 0.617 1.00 0.00 O ATOM 817 CB LYS A 51 -22.809 12.492 -0.116 1.00 0.00 C ATOM 818 CG LYS A 51 -24.327 12.788 -0.097 1.00 0.00 C ATOM 819 CD LYS A 51 -24.808 13.780 0.965 1.00 0.00 C ATOM 820 CE LYS A 51 -26.336 13.904 0.887 1.00 0.00 C ATOM 821 NZ LYS A 51 -26.930 12.560 0.763 1.00 0.00 N ATOM 0 H LYS A 51 -20.329 12.223 0.604 1.00 0.00 H new ATOM 0 HA LYS A 51 -22.905 11.806 1.991 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -22.268 13.438 -0.152 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -22.569 11.953 -1.032 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -24.614 13.169 -1.077 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -24.858 11.847 0.047 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -24.509 13.442 1.957 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -24.344 14.753 0.807 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -26.718 14.402 1.779 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -26.619 14.519 0.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -27.926 12.592 1.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -26.875 12.246 -0.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -26.409 11.893 1.367 1.00 0.00 H new ATOM 835 N GLU A 52 -21.198 9.593 0.637 1.00 0.00 N ATOM 836 CA GLU A 52 -21.065 8.201 0.224 1.00 0.00 C ATOM 837 C GLU A 52 -19.618 7.765 0.252 1.00 0.00 C ATOM 838 O GLU A 52 -18.709 8.478 -0.196 1.00 0.00 O ATOM 839 CB GLU A 52 -21.672 8.048 -1.199 1.00 0.00 C ATOM 840 CG GLU A 52 -21.185 6.834 -2.058 1.00 0.00 C ATOM 841 CD GLU A 52 -22.175 6.190 -3.032 1.00 0.00 C ATOM 842 OE1 GLU A 52 -22.975 5.327 -2.695 1.00 0.00 O ATOM 843 OE2 GLU A 52 -22.082 6.668 -4.304 1.00 0.00 O ATOM 0 H GLU A 52 -20.311 10.059 0.825 1.00 0.00 H new ATOM 0 HA GLU A 52 -21.604 7.558 0.919 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -22.755 7.978 -1.098 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -21.462 8.961 -1.756 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -20.318 7.160 -2.632 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -20.841 6.059 -1.373 1.00 0.00 H new ATOM 850 N THR A 53 -19.382 6.580 0.785 1.00 0.00 N ATOM 851 CA THR A 53 -18.038 6.014 0.860 1.00 0.00 C ATOM 852 C THR A 53 -17.942 4.743 0.050 1.00 0.00 C ATOM 853 O THR A 53 -18.948 4.076 -0.242 1.00 0.00 O ATOM 854 CB THR A 53 -17.635 5.753 2.350 1.00 0.00 C ATOM 855 OG1 THR A 53 -18.683 6.147 3.227 1.00 0.00 O ATOM 856 CG2 THR A 53 -16.394 6.513 2.867 1.00 0.00 C ATOM 0 H THR A 53 -20.109 5.982 1.177 1.00 0.00 H new ATOM 0 HA THR A 53 -17.340 6.736 0.436 1.00 0.00 H new ATOM 0 HB THR A 53 -17.417 4.685 2.350 1.00 0.00 H new ATOM 0 HG1 THR A 53 -18.416 5.976 4.154 1.00 0.00 H new ATOM 0 HG21 THR A 53 -16.215 6.251 3.910 1.00 0.00 H new ATOM 0 HG22 THR A 53 -15.524 6.239 2.270 1.00 0.00 H new ATOM 0 HG23 THR A 53 -16.565 7.586 2.787 1.00 0.00 H new ATOM 864 N PHE A 54 -16.732 4.378 -0.334 1.00 0.00 N ATOM 865 CA PHE A 54 -16.495 3.139 -1.071 1.00 0.00 C ATOM 866 C PHE A 54 -15.543 2.234 -0.324 1.00 0.00 C ATOM 867 O PHE A 54 -14.314 2.377 -0.391 1.00 0.00 O ATOM 868 CB PHE A 54 -15.889 3.452 -2.473 1.00 0.00 C ATOM 869 CG PHE A 54 -15.770 2.271 -3.449 1.00 0.00 C ATOM 870 CD1 PHE A 54 -15.556 0.980 -2.951 1.00 0.00 C ATOM 871 CD2 PHE A 54 -15.868 2.469 -4.828 1.00 0.00 C ATOM 872 CE1 PHE A 54 -15.468 -0.101 -3.821 1.00 0.00 C ATOM 873 CE2 PHE A 54 -15.778 1.386 -5.698 1.00 0.00 C ATOM 874 CZ PHE A 54 -15.582 0.101 -5.194 1.00 0.00 C ATOM 0 H PHE A 54 -15.890 4.923 -0.149 1.00 0.00 H new ATOM 0 HA PHE A 54 -17.455 2.635 -1.183 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -16.499 4.223 -2.944 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -14.895 3.876 -2.328 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -15.459 0.823 -1.887 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -16.014 3.465 -5.220 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -15.311 -1.096 -3.432 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -15.860 1.541 -6.764 1.00 0.00 H new ATOM 0 HZ PHE A 54 -15.518 -0.739 -5.870 1.00 0.00 H new ATOM 884 N LYS A 55 -16.100 1.282 0.401 1.00 0.00 N ATOM 885 CA LYS A 55 -15.319 0.244 1.069 1.00 0.00 C ATOM 886 C LYS A 55 -16.202 -0.919 1.460 1.00 0.00 C ATOM 887 O LYS A 55 -16.277 -1.328 2.628 1.00 0.00 O ATOM 888 CB LYS A 55 -14.601 0.842 2.309 1.00 0.00 C ATOM 889 CG LYS A 55 -15.479 1.811 3.139 1.00 0.00 C ATOM 890 CD LYS A 55 -14.867 2.249 4.474 1.00 0.00 C ATOM 891 CE LYS A 55 -15.909 3.036 5.278 1.00 0.00 C ATOM 892 NZ LYS A 55 -15.472 3.132 6.683 1.00 0.00 N ATOM 0 H LYS A 55 -17.106 1.202 0.547 1.00 0.00 H new ATOM 0 HA LYS A 55 -14.564 -0.132 0.379 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -14.270 0.027 2.952 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -13.707 1.371 1.978 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -15.682 2.699 2.540 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -16.438 1.332 3.335 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -14.538 1.377 5.039 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -13.986 2.866 4.298 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -16.034 4.033 4.855 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -16.879 2.542 5.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -16.177 3.665 7.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -15.374 2.177 7.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -14.556 3.622 6.729 1.00 0.00 H new ATOM 906 N GLU A 56 -16.882 -1.477 0.473 1.00 0.00 N ATOM 907 CA GLU A 56 -17.879 -2.518 0.704 1.00 0.00 C ATOM 908 C GLU A 56 -17.295 -3.687 1.460 1.00 0.00 C ATOM 909 O GLU A 56 -17.997 -4.379 2.223 1.00 0.00 O ATOM 910 CB GLU A 56 -18.450 -2.966 -0.672 1.00 0.00 C ATOM 911 CG GLU A 56 -17.478 -3.710 -1.646 1.00 0.00 C ATOM 912 CD GLU A 56 -17.901 -3.876 -3.108 1.00 0.00 C ATOM 913 OE1 GLU A 56 -17.574 -2.816 -3.897 1.00 0.00 O ATOM 914 OE2 GLU A 56 -18.480 -4.870 -3.525 1.00 0.00 O ATOM 0 H GLU A 56 -16.762 -1.225 -0.508 1.00 0.00 H new ATOM 0 HA GLU A 56 -18.682 -2.119 1.323 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -19.305 -3.617 -0.487 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -18.828 -2.081 -1.184 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -16.525 -3.180 -1.634 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -17.295 -4.704 -1.238 1.00 0.00 H new ATOM 921 N LYS A 57 -16.019 -3.959 1.265 1.00 0.00 N ATOM 922 CA LYS A 57 -15.387 -5.140 1.850 1.00 0.00 C ATOM 923 C LYS A 57 -13.915 -4.907 2.093 1.00 0.00 C ATOM 924 O LYS A 57 -13.272 -4.052 1.467 1.00 0.00 O ATOM 925 CB LYS A 57 -15.609 -6.362 0.917 1.00 0.00 C ATOM 926 CG LYS A 57 -15.873 -7.683 1.682 1.00 0.00 C ATOM 927 CD LYS A 57 -17.154 -8.417 1.277 1.00 0.00 C ATOM 928 CE LYS A 57 -16.817 -9.470 0.212 1.00 0.00 C ATOM 929 NZ LYS A 57 -16.849 -8.845 -1.122 1.00 0.00 N ATOM 0 H LYS A 57 -15.393 -3.380 0.705 1.00 0.00 H new ATOM 0 HA LYS A 57 -15.847 -5.342 2.817 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -16.453 -6.158 0.258 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -14.732 -6.488 0.282 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -15.025 -8.350 1.529 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -15.918 -7.465 2.749 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -17.605 -8.894 2.147 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -17.885 -7.709 0.887 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -15.831 -9.894 0.403 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -17.532 -10.291 0.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -16.621 -9.557 -1.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -17.798 -8.460 -1.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -16.150 -8.076 -1.162 1.00 0.00 H new ATOM 943 N ASP A 58 -13.350 -5.674 3.008 1.00 0.00 N ATOM 944 CA ASP A 58 -11.915 -5.613 3.284 1.00 0.00 C ATOM 945 C ASP A 58 -11.086 -6.232 2.180 1.00 0.00 C ATOM 946 O ASP A 58 -9.835 -6.187 2.230 1.00 0.00 O ATOM 947 CB ASP A 58 -11.611 -6.274 4.655 1.00 0.00 C ATOM 948 CG ASP A 58 -12.504 -5.868 5.836 1.00 0.00 C ATOM 949 OD1 ASP A 58 -13.240 -4.893 5.812 1.00 0.00 O ATOM 950 OD2 ASP A 58 -12.384 -6.712 6.906 1.00 0.00 O ATOM 0 H ASP A 58 -13.859 -6.350 3.577 1.00 0.00 H new ATOM 0 HA ASP A 58 -11.630 -4.562 3.326 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -11.681 -7.355 4.533 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -10.578 -6.049 4.918 1.00 0.00 H new ATOM 955 N THR A 59 -11.706 -6.823 1.179 1.00 0.00 N ATOM 956 CA THR A 59 -10.975 -7.345 0.023 1.00 0.00 C ATOM 957 C THR A 59 -10.233 -6.238 -0.686 1.00 0.00 C ATOM 958 O THR A 59 -9.247 -6.465 -1.403 1.00 0.00 O ATOM 959 CB THR A 59 -11.940 -8.075 -0.975 1.00 0.00 C ATOM 960 OG1 THR A 59 -11.207 -8.604 -2.073 1.00 0.00 O ATOM 961 CG2 THR A 59 -13.047 -7.215 -1.622 1.00 0.00 C ATOM 0 H THR A 59 -12.716 -6.958 1.135 1.00 0.00 H new ATOM 0 HA THR A 59 -10.250 -8.071 0.391 1.00 0.00 H new ATOM 0 HB THR A 59 -12.415 -8.822 -0.338 1.00 0.00 H new ATOM 0 HG1 THR A 59 -11.821 -9.058 -2.687 1.00 0.00 H new ATOM 0 HG21 THR A 59 -13.645 -7.835 -2.290 1.00 0.00 H new ATOM 0 HG22 THR A 59 -13.686 -6.799 -0.843 1.00 0.00 H new ATOM 0 HG23 THR A 59 -12.592 -6.404 -2.190 1.00 0.00 H new ATOM 969 N TYR A 60 -10.728 -5.023 -0.549 1.00 0.00 N ATOM 970 CA TYR A 60 -10.013 -3.843 -1.032 1.00 0.00 C ATOM 971 C TYR A 60 -10.343 -2.638 -0.182 1.00 0.00 C ATOM 972 O TYR A 60 -11.169 -1.787 -0.551 1.00 0.00 O ATOM 973 CB TYR A 60 -10.392 -3.527 -2.508 1.00 0.00 C ATOM 974 CG TYR A 60 -9.766 -4.438 -3.576 1.00 0.00 C ATOM 975 CD1 TYR A 60 -8.393 -4.357 -3.829 1.00 0.00 C ATOM 976 CD2 TYR A 60 -10.546 -5.353 -4.286 1.00 0.00 C ATOM 977 CE1 TYR A 60 -7.806 -5.192 -4.776 1.00 0.00 C ATOM 978 CE2 TYR A 60 -9.958 -6.186 -5.234 1.00 0.00 C ATOM 979 CZ TYR A 60 -8.589 -6.107 -5.476 1.00 0.00 C ATOM 980 OH TYR A 60 -8.016 -6.927 -6.409 1.00 0.00 O ATOM 0 H TYR A 60 -11.625 -4.820 -0.107 1.00 0.00 H new ATOM 0 HA TYR A 60 -8.947 -4.060 -0.970 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -11.476 -3.582 -2.603 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -10.105 -2.498 -2.723 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -7.787 -3.645 -3.289 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -11.608 -5.415 -4.099 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -6.745 -5.130 -4.968 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -10.563 -6.893 -5.781 1.00 0.00 H new ATOM 0 HH TYR A 60 -8.703 -7.504 -6.803 1.00 0.00 H new ATOM 990 N LYS A 61 -9.695 -2.522 0.964 1.00 0.00 N ATOM 991 CA LYS A 61 -10.039 -1.496 1.951 1.00 0.00 C ATOM 992 C LYS A 61 -9.014 -0.386 2.022 1.00 0.00 C ATOM 993 O LYS A 61 -7.918 -0.458 1.451 1.00 0.00 O ATOM 994 CB LYS A 61 -10.200 -2.176 3.342 1.00 0.00 C ATOM 995 CG LYS A 61 -11.352 -1.608 4.207 1.00 0.00 C ATOM 996 CD LYS A 61 -10.972 -1.289 5.657 1.00 0.00 C ATOM 997 CE LYS A 61 -11.217 -2.521 6.539 1.00 0.00 C ATOM 998 NZ LYS A 61 -12.474 -2.349 7.289 1.00 0.00 N ATOM 0 H LYS A 61 -8.922 -3.127 1.241 1.00 0.00 H new ATOM 0 HA LYS A 61 -10.975 -1.029 1.643 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -10.367 -3.243 3.193 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -9.265 -2.073 3.893 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -11.726 -0.699 3.736 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -12.172 -2.326 4.211 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -9.924 -0.993 5.712 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -11.561 -0.447 6.020 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -11.270 -3.418 5.922 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -10.385 -2.658 7.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -12.265 -2.276 8.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -12.952 -1.482 6.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -13.093 -3.167 7.121 1.00 0.00 H new ATOM 1012 N LEU A 62 -9.364 0.675 2.728 1.00 0.00 N ATOM 1013 CA LEU A 62 -8.450 1.782 3.007 1.00 0.00 C ATOM 1014 C LEU A 62 -8.097 1.830 4.475 1.00 0.00 C ATOM 1015 O LEU A 62 -8.789 1.241 5.327 1.00 0.00 O ATOM 1016 CB LEU A 62 -9.066 3.135 2.546 1.00 0.00 C ATOM 1017 CG LEU A 62 -10.154 3.110 1.438 1.00 0.00 C ATOM 1018 CD1 LEU A 62 -11.092 4.327 1.499 1.00 0.00 C ATOM 1019 CD2 LEU A 62 -9.492 3.039 0.055 1.00 0.00 C ATOM 0 H LEU A 62 -10.294 0.799 3.128 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.533 1.614 2.442 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -9.495 3.620 3.422 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -8.251 3.769 2.197 1.00 0.00 H new ATOM 0 HG LEU A 62 -10.763 2.222 1.611 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -11.832 4.256 0.702 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -11.599 4.348 2.464 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -10.511 5.241 1.375 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -10.262 3.022 -0.716 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -8.854 3.911 -0.088 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -8.889 2.133 -0.014 1.00 0.00 H new ATOM 1031 N PHE A 63 -7.041 2.543 4.821 1.00 0.00 N ATOM 1032 CA PHE A 63 -6.681 2.777 6.219 1.00 0.00 C ATOM 1033 C PHE A 63 -6.542 4.254 6.503 1.00 0.00 C ATOM 1034 O PHE A 63 -6.551 5.100 5.592 1.00 0.00 O ATOM 1035 CB PHE A 63 -5.330 2.071 6.554 1.00 0.00 C ATOM 1036 CG PHE A 63 -5.301 0.538 6.439 1.00 0.00 C ATOM 1037 CD1 PHE A 63 -6.485 -0.161 6.182 1.00 0.00 C ATOM 1038 CD2 PHE A 63 -4.114 -0.169 6.645 1.00 0.00 C ATOM 1039 CE1 PHE A 63 -6.486 -1.552 6.148 1.00 0.00 C ATOM 1040 CE2 PHE A 63 -4.114 -1.562 6.608 1.00 0.00 C ATOM 1041 CZ PHE A 63 -5.300 -2.252 6.359 1.00 0.00 C ATOM 0 H PHE A 63 -6.408 2.977 4.149 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.478 2.367 6.839 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -4.563 2.476 5.894 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -5.049 2.341 7.572 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -7.403 0.382 6.009 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -3.194 0.365 6.833 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.404 -2.088 5.958 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -3.196 -2.107 6.772 1.00 0.00 H new ATOM 0 HZ PHE A 63 -5.299 -3.332 6.330 1.00 0.00 H new ATOM 1051 N LYS A 64 -6.423 4.609 7.771 1.00 0.00 N ATOM 1052 CA LYS A 64 -6.251 6.004 8.175 1.00 0.00 C ATOM 1053 C LYS A 64 -4.958 6.581 7.647 1.00 0.00 C ATOM 1054 O LYS A 64 -4.838 7.800 7.421 1.00 0.00 O ATOM 1055 CB LYS A 64 -6.306 6.106 9.725 1.00 0.00 C ATOM 1056 CG LYS A 64 -7.728 5.919 10.311 1.00 0.00 C ATOM 1057 CD LYS A 64 -7.840 6.145 11.821 1.00 0.00 C ATOM 1058 CE LYS A 64 -9.248 6.656 12.154 1.00 0.00 C ATOM 1059 NZ LYS A 64 -9.222 8.125 12.278 1.00 0.00 N ATOM 0 H LYS A 64 -6.442 3.948 8.548 1.00 0.00 H new ATOM 0 HA LYS A 64 -7.064 6.590 7.745 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.644 5.353 10.154 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -5.922 7.079 10.030 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -8.407 6.606 9.805 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.068 4.909 10.084 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -7.642 5.216 12.355 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -7.092 6.867 12.149 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -9.948 6.359 11.373 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -9.598 6.208 13.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -10.176 8.471 12.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -8.566 8.398 13.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -8.905 8.544 11.380 1.00 0.00 H new ATOM 1073 N ASN A 65 -3.956 5.745 7.457 1.00 0.00 N ATOM 1074 CA ASN A 65 -2.620 6.206 7.082 1.00 0.00 C ATOM 1075 C ASN A 65 -2.382 6.126 5.592 1.00 0.00 C ATOM 1076 O ASN A 65 -1.222 6.256 5.133 1.00 0.00 O ATOM 1077 CB ASN A 65 -1.562 5.350 7.845 1.00 0.00 C ATOM 1078 CG ASN A 65 -1.729 3.827 7.758 1.00 0.00 C ATOM 1079 OD1 ASN A 65 -2.476 3.304 6.944 1.00 0.00 O ATOM 1080 ND2 ASN A 65 -1.051 3.044 8.623 1.00 0.00 N ATOM 0 H ASN A 65 -4.037 4.733 7.556 1.00 0.00 H new ATOM 0 HA ASN A 65 -2.531 7.257 7.358 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -0.574 5.608 7.464 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -1.583 5.637 8.896 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -0.424 3.465 9.308 1.00 0.00 H new ATOM 1086 N GLY A 66 -3.404 5.897 4.790 1.00 0.00 N ATOM 1087 CA GLY A 66 -3.257 5.871 3.336 1.00 0.00 C ATOM 1088 C GLY A 66 -2.894 4.505 2.807 1.00 0.00 C ATOM 1089 O GLY A 66 -2.628 4.352 1.592 1.00 0.00 O ATOM 0 H GLY A 66 -4.354 5.724 5.118 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.190 6.197 2.876 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.489 6.585 3.041 1.00 0.00 H new ATOM 1093 N THR A 67 -2.884 3.479 3.636 1.00 0.00 N ATOM 1094 CA THR A 67 -2.595 2.118 3.180 1.00 0.00 C ATOM 1095 C THR A 67 -3.851 1.417 2.722 1.00 0.00 C ATOM 1096 O THR A 67 -4.961 1.692 3.217 1.00 0.00 O ATOM 1097 CB THR A 67 -1.896 1.296 4.317 1.00 0.00 C ATOM 1098 OG1 THR A 67 -0.483 1.335 4.173 1.00 0.00 O ATOM 1099 CG2 THR A 67 -2.236 -0.209 4.377 1.00 0.00 C ATOM 0 H THR A 67 -3.073 3.555 4.635 1.00 0.00 H new ATOM 0 HA THR A 67 -1.918 2.187 2.329 1.00 0.00 H new ATOM 0 HB THR A 67 -2.272 1.780 5.219 1.00 0.00 H new ATOM 0 HG1 THR A 67 -0.073 0.693 4.790 1.00 0.00 H new ATOM 0 HG21 THR A 67 -1.694 -0.672 5.202 1.00 0.00 H new ATOM 0 HG22 THR A 67 -3.308 -0.334 4.531 1.00 0.00 H new ATOM 0 HG23 THR A 67 -1.946 -0.685 3.440 1.00 0.00 H new ATOM 1107 N LEU A 68 -3.727 0.519 1.763 1.00 0.00 N ATOM 1108 CA LEU A 68 -4.841 -0.336 1.356 1.00 0.00 C ATOM 1109 C LEU A 68 -4.601 -1.763 1.794 1.00 0.00 C ATOM 1110 O LEU A 68 -3.463 -2.250 1.860 1.00 0.00 O ATOM 1111 CB LEU A 68 -5.098 -0.275 -0.180 1.00 0.00 C ATOM 1112 CG LEU A 68 -6.274 -1.118 -0.745 1.00 0.00 C ATOM 1113 CD1 LEU A 68 -7.427 -0.246 -1.270 1.00 0.00 C ATOM 1114 CD2 LEU A 68 -5.767 -2.047 -1.858 1.00 0.00 C ATOM 0 H LEU A 68 -2.863 0.358 1.245 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.736 0.043 1.850 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.270 0.767 -0.451 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.185 -0.589 -0.686 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.670 -1.711 0.080 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -8.222 -0.886 -1.653 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.816 0.370 -0.459 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.061 0.397 -2.071 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.598 -2.634 -2.248 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.335 -1.450 -2.662 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.007 -2.717 -1.455 1.00 0.00 H new ATOM 1126 N LYS A 69 -5.679 -2.466 2.081 1.00 0.00 N ATOM 1127 CA LYS A 69 -5.610 -3.891 2.400 1.00 0.00 C ATOM 1128 C LYS A 69 -6.311 -4.706 1.340 1.00 0.00 C ATOM 1129 O LYS A 69 -7.423 -4.360 0.894 1.00 0.00 O ATOM 1130 CB LYS A 69 -6.226 -4.121 3.809 1.00 0.00 C ATOM 1131 CG LYS A 69 -6.952 -5.471 4.029 1.00 0.00 C ATOM 1132 CD LYS A 69 -6.078 -6.577 4.630 1.00 0.00 C ATOM 1133 CE LYS A 69 -5.514 -6.097 5.974 1.00 0.00 C ATOM 1134 NZ LYS A 69 -6.574 -5.406 6.729 1.00 0.00 N ATOM 0 H LYS A 69 -6.622 -2.077 2.102 1.00 0.00 H new ATOM 0 HA LYS A 69 -4.571 -4.220 2.416 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.430 -4.037 4.548 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -6.933 -3.316 4.009 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.807 -5.306 4.685 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -7.345 -5.817 3.073 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -6.665 -7.485 4.771 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -5.265 -6.826 3.948 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -5.137 -6.944 6.547 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -4.672 -5.425 5.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -6.346 -5.425 7.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -6.642 -4.419 6.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -7.483 -5.886 6.569 1.00 0.00 H new ATOM 1148 N ILE A 70 -5.692 -5.779 0.886 1.00 0.00 N ATOM 1149 CA ILE A 70 -6.349 -6.713 -0.030 1.00 0.00 C ATOM 1150 C ILE A 70 -6.396 -8.100 0.568 1.00 0.00 C ATOM 1151 O ILE A 70 -5.385 -8.811 0.662 1.00 0.00 O ATOM 1152 CB ILE A 70 -5.679 -6.712 -1.466 1.00 0.00 C ATOM 1153 CG1 ILE A 70 -5.286 -5.301 -2.007 1.00 0.00 C ATOM 1154 CG2 ILE A 70 -6.566 -7.412 -2.543 1.00 0.00 C ATOM 1155 CD1 ILE A 70 -3.899 -5.198 -2.674 1.00 0.00 C ATOM 0 H ILE A 70 -4.735 -6.032 1.132 1.00 0.00 H new ATOM 0 HA ILE A 70 -7.375 -6.372 -0.171 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.761 -7.277 -1.304 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -6.039 -4.987 -2.730 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -5.323 -4.592 -1.180 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -6.059 -7.382 -3.507 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -6.738 -8.449 -2.255 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.522 -6.894 -2.620 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -3.733 -4.175 -3.011 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -3.128 -5.473 -1.954 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -3.855 -5.874 -3.528 1.00 0.00 H new ATOM 1167 N LYS A 71 -7.582 -8.508 0.982 1.00 0.00 N ATOM 1168 CA LYS A 71 -7.765 -9.816 1.607 1.00 0.00 C ATOM 1169 C LYS A 71 -7.893 -10.891 0.552 1.00 0.00 C ATOM 1170 O LYS A 71 -8.531 -10.686 -0.496 1.00 0.00 O ATOM 1171 CB LYS A 71 -9.012 -9.782 2.531 1.00 0.00 C ATOM 1172 CG LYS A 71 -9.511 -11.188 2.949 1.00 0.00 C ATOM 1173 CD LYS A 71 -10.994 -11.258 3.326 1.00 0.00 C ATOM 1174 CE LYS A 71 -11.152 -12.087 4.607 1.00 0.00 C ATOM 1175 NZ LYS A 71 -12.511 -11.901 5.146 1.00 0.00 N ATOM 0 H LYS A 71 -8.436 -7.956 0.899 1.00 0.00 H new ATOM 0 HA LYS A 71 -6.891 -10.052 2.215 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -8.775 -9.208 3.427 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.819 -9.256 2.020 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -9.326 -11.882 2.129 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -8.918 -11.531 3.797 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -11.390 -10.254 3.477 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -11.567 -11.708 2.515 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -10.974 -13.141 4.395 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -10.411 -11.781 5.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -12.620 -12.462 6.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -12.664 -10.895 5.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -13.210 -12.214 4.442 1.00 0.00 H new ATOM 1189 N HIS A 72 -7.326 -12.052 0.820 1.00 0.00 N ATOM 1190 CA HIS A 72 -7.246 -13.123 -0.171 1.00 0.00 C ATOM 1191 C HIS A 72 -6.448 -12.678 -1.375 1.00 0.00 C ATOM 1192 O HIS A 72 -6.860 -11.845 -2.193 1.00 0.00 O ATOM 1193 CB HIS A 72 -8.694 -13.462 -0.565 1.00 0.00 C ATOM 1194 CG HIS A 72 -8.831 -14.849 -1.121 1.00 0.00 C ATOM 1195 ND1 HIS A 72 -7.970 -15.916 -0.876 1.00 0.00 N ATOM 1196 CD2 HIS A 72 -9.871 -15.218 -1.963 1.00 0.00 C ATOM 1197 CE1 HIS A 72 -8.573 -16.871 -1.609 1.00 0.00 C ATOM 1198 NE2 HIS A 72 -9.707 -16.541 -2.285 1.00 0.00 N ATOM 0 H HIS A 72 -6.909 -12.284 1.722 1.00 0.00 H new ATOM 0 HA HIS A 72 -6.739 -13.998 0.235 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -9.338 -13.359 0.309 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -9.043 -12.742 -1.305 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -10.669 -14.576 -2.305 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -8.168 -17.871 -1.659 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -10.289 -17.130 -2.881 1.00 0.00 H new ATOM 1207 N LEU A 73 -5.265 -13.259 -1.519 1.00 0.00 N ATOM 1208 CA LEU A 73 -4.279 -12.819 -2.502 1.00 0.00 C ATOM 1209 C LEU A 73 -3.631 -13.970 -3.233 1.00 0.00 C ATOM 1210 O LEU A 73 -2.449 -14.293 -3.037 1.00 0.00 O ATOM 1211 CB LEU A 73 -3.190 -11.944 -1.808 1.00 0.00 C ATOM 1212 CG LEU A 73 -2.270 -11.034 -2.662 1.00 0.00 C ATOM 1213 CD1 LEU A 73 -1.153 -11.856 -3.321 1.00 0.00 C ATOM 1214 CD2 LEU A 73 -3.034 -10.243 -3.735 1.00 0.00 C ATOM 0 H LEU A 73 -4.959 -14.052 -0.956 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.811 -12.228 -3.247 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.698 -11.305 -1.086 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -2.546 -12.616 -1.241 1.00 0.00 H new ATOM 0 HG LEU A 73 -1.836 -10.309 -1.973 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.519 -11.198 -3.915 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -0.553 -12.338 -2.550 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.593 -12.616 -3.966 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.335 -9.625 -4.299 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -3.533 -10.936 -4.412 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.777 -9.605 -3.257 1.00 0.00 H new ATOM 1226 N LYS A 74 -4.401 -14.637 -4.075 1.00 0.00 N ATOM 1227 CA LYS A 74 -3.848 -15.639 -4.982 1.00 0.00 C ATOM 1228 C LYS A 74 -3.541 -15.022 -6.328 1.00 0.00 C ATOM 1229 O LYS A 74 -3.585 -13.798 -6.518 1.00 0.00 O ATOM 1230 CB LYS A 74 -4.811 -16.848 -5.154 1.00 0.00 C ATOM 1231 CG LYS A 74 -6.295 -16.589 -4.783 1.00 0.00 C ATOM 1232 CD LYS A 74 -7.052 -15.494 -5.537 1.00 0.00 C ATOM 1233 CE LYS A 74 -8.497 -15.963 -5.778 1.00 0.00 C ATOM 1234 NZ LYS A 74 -9.391 -14.793 -5.818 1.00 0.00 N ATOM 0 H LYS A 74 -5.410 -14.506 -4.153 1.00 0.00 H new ATOM 0 HA LYS A 74 -2.922 -16.008 -4.540 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.768 -17.177 -6.192 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -4.442 -17.672 -4.543 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.839 -17.523 -4.919 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.335 -16.349 -3.720 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -7.047 -14.568 -4.962 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -6.561 -15.282 -6.487 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -8.560 -16.515 -6.716 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -8.807 -16.644 -4.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.125 -14.892 -5.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -8.840 -13.929 -5.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -9.840 -14.731 -6.754 1.00 0.00 H new ATOM 1248 N THR A 75 -3.197 -15.869 -7.282 1.00 0.00 N ATOM 1249 CA THR A 75 -3.021 -15.419 -8.663 1.00 0.00 C ATOM 1250 C THR A 75 -4.222 -14.638 -9.152 1.00 0.00 C ATOM 1251 O THR A 75 -4.132 -13.764 -10.026 1.00 0.00 O ATOM 1252 CB THR A 75 -2.737 -16.635 -9.607 1.00 0.00 C ATOM 1253 OG1 THR A 75 -1.571 -17.332 -9.185 1.00 0.00 O ATOM 1254 CG2 THR A 75 -2.472 -16.303 -11.091 1.00 0.00 C ATOM 0 H THR A 75 -3.034 -16.865 -7.134 1.00 0.00 H new ATOM 0 HA THR A 75 -2.160 -14.751 -8.684 1.00 0.00 H new ATOM 0 HB THR A 75 -3.662 -17.208 -9.537 1.00 0.00 H new ATOM 0 HG1 THR A 75 -1.408 -18.090 -9.784 1.00 0.00 H new ATOM 0 HG21 THR A 75 -2.289 -17.225 -11.643 1.00 0.00 H new ATOM 0 HG22 THR A 75 -3.340 -15.795 -11.511 1.00 0.00 H new ATOM 0 HG23 THR A 75 -1.599 -15.654 -11.169 1.00 0.00 H new ATOM 1262 N ASP A 76 -5.370 -14.938 -8.567 1.00 0.00 N ATOM 1263 CA ASP A 76 -6.617 -14.279 -8.942 1.00 0.00 C ATOM 1264 C ASP A 76 -6.702 -12.881 -8.372 1.00 0.00 C ATOM 1265 O ASP A 76 -7.186 -11.945 -9.041 1.00 0.00 O ATOM 1266 CB ASP A 76 -7.831 -15.147 -8.520 1.00 0.00 C ATOM 1267 CG ASP A 76 -8.956 -15.305 -9.554 1.00 0.00 C ATOM 1268 OD1 ASP A 76 -8.486 -15.555 -10.813 1.00 0.00 O ATOM 1269 OD2 ASP A 76 -10.140 -15.195 -9.273 1.00 0.00 O ATOM 0 H ASP A 76 -5.468 -15.635 -7.829 1.00 0.00 H new ATOM 0 HA ASP A 76 -6.636 -14.175 -10.027 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -7.466 -16.140 -8.260 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -8.259 -14.717 -7.614 1.00 0.00 H new ATOM 1274 N ASP A 77 -6.269 -12.691 -7.140 1.00 0.00 N ATOM 1275 CA ASP A 77 -6.297 -11.371 -6.510 1.00 0.00 C ATOM 1276 C ASP A 77 -5.014 -10.605 -6.736 1.00 0.00 C ATOM 1277 O ASP A 77 -4.763 -9.573 -6.072 1.00 0.00 O ATOM 1278 CB ASP A 77 -6.627 -11.506 -5.000 1.00 0.00 C ATOM 1279 CG ASP A 77 -8.109 -11.385 -4.614 1.00 0.00 C ATOM 1280 OD1 ASP A 77 -8.879 -12.334 -4.613 1.00 0.00 O ATOM 1281 OD2 ASP A 77 -8.458 -10.113 -4.251 1.00 0.00 O ATOM 0 H ASP A 77 -5.892 -13.432 -6.549 1.00 0.00 H new ATOM 0 HA ASP A 77 -7.087 -10.789 -6.984 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -6.261 -12.473 -4.655 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -6.069 -10.742 -4.458 1.00 0.00 H new ATOM 1286 N GLN A 78 -4.177 -11.034 -7.660 1.00 0.00 N ATOM 1287 CA GLN A 78 -2.983 -10.276 -8.040 1.00 0.00 C ATOM 1288 C GLN A 78 -3.294 -9.273 -9.124 1.00 0.00 C ATOM 1289 O GLN A 78 -3.859 -9.598 -10.178 1.00 0.00 O ATOM 1290 CB GLN A 78 -1.904 -11.279 -8.509 1.00 0.00 C ATOM 1291 CG GLN A 78 -0.450 -10.730 -8.699 1.00 0.00 C ATOM 1292 CD GLN A 78 0.406 -11.294 -9.844 1.00 0.00 C ATOM 1293 OE1 GLN A 78 1.557 -11.652 -9.655 1.00 0.00 O ATOM 1294 NE2 GLN A 78 -0.108 -11.421 -11.041 1.00 0.00 N ATOM 0 H GLN A 78 -4.296 -11.909 -8.170 1.00 0.00 H new ATOM 0 HA GLN A 78 -2.619 -9.711 -7.182 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -1.865 -12.095 -7.787 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -2.230 -11.707 -9.457 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -0.519 -9.651 -8.838 1.00 0.00 H new ATOM 0 HG3 GLN A 78 0.091 -10.897 -7.768 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -1.069 -11.127 -11.217 1.00 0.00 H new ATOM 0 HE22 GLN A 78 0.452 -11.814 -11.797 1.00 0.00 H new ATOM 1303 N ASP A 79 -2.945 -8.026 -8.869 1.00 0.00 N ATOM 1304 CA ASP A 79 -3.246 -6.931 -9.785 1.00 0.00 C ATOM 1305 C ASP A 79 -2.310 -5.768 -9.558 1.00 0.00 C ATOM 1306 O ASP A 79 -1.672 -5.634 -8.503 1.00 0.00 O ATOM 1307 CB ASP A 79 -4.732 -6.504 -9.647 1.00 0.00 C ATOM 1308 CG ASP A 79 -5.505 -6.262 -10.951 1.00 0.00 C ATOM 1309 OD1 ASP A 79 -6.039 -7.408 -11.472 1.00 0.00 O ATOM 1310 OD2 ASP A 79 -5.623 -5.158 -11.463 1.00 0.00 O ATOM 0 H ASP A 79 -2.447 -7.740 -8.026 1.00 0.00 H new ATOM 0 HA ASP A 79 -3.091 -7.278 -10.807 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -5.255 -7.273 -9.079 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -4.769 -5.590 -9.055 1.00 0.00 H new ATOM 1315 N ILE A 80 -2.210 -4.904 -10.550 1.00 0.00 N ATOM 1316 CA ILE A 80 -1.455 -3.660 -10.415 1.00 0.00 C ATOM 1317 C ILE A 80 -2.334 -2.581 -9.818 1.00 0.00 C ATOM 1318 O ILE A 80 -3.561 -2.564 -10.014 1.00 0.00 O ATOM 1319 CB ILE A 80 -0.789 -3.256 -11.793 1.00 0.00 C ATOM 1320 CG1 ILE A 80 -0.047 -4.422 -12.524 1.00 0.00 C ATOM 1321 CG2 ILE A 80 0.208 -2.064 -11.655 1.00 0.00 C ATOM 1322 CD1 ILE A 80 0.420 -4.122 -13.963 1.00 0.00 C ATOM 0 H ILE A 80 -2.642 -5.036 -11.464 1.00 0.00 H new ATOM 0 HA ILE A 80 -0.628 -3.802 -9.720 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.645 -2.963 -12.400 1.00 0.00 H new ATOM 0 HG12 ILE A 80 0.823 -4.702 -11.931 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -0.708 -5.289 -12.550 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.634 -1.831 -12.631 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.320 -1.191 -11.272 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.007 -2.336 -10.966 1.00 0.00 H new ATOM 0 HD11 ILE A 80 0.921 -4.999 -14.373 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.443 -3.875 -14.582 1.00 0.00 H new ATOM 0 HD13 ILE A 80 1.112 -3.280 -13.953 1.00 0.00 H new ATOM 1334 N TYR A 81 -1.741 -1.680 -9.058 1.00 0.00 N ATOM 1335 CA TYR A 81 -2.476 -0.699 -8.263 1.00 0.00 C ATOM 1336 C TYR A 81 -1.795 0.647 -8.285 1.00 0.00 C ATOM 1337 O TYR A 81 -0.589 0.765 -8.540 1.00 0.00 O ATOM 1338 CB TYR A 81 -2.568 -1.183 -6.779 1.00 0.00 C ATOM 1339 CG TYR A 81 -3.364 -2.478 -6.572 1.00 0.00 C ATOM 1340 CD1 TYR A 81 -2.701 -3.706 -6.664 1.00 0.00 C ATOM 1341 CD2 TYR A 81 -4.734 -2.451 -6.307 1.00 0.00 C ATOM 1342 CE1 TYR A 81 -3.387 -4.890 -6.417 1.00 0.00 C ATOM 1343 CE2 TYR A 81 -5.420 -3.639 -6.063 1.00 0.00 C ATOM 1344 CZ TYR A 81 -4.746 -4.856 -6.118 1.00 0.00 C ATOM 1345 OH TYR A 81 -5.418 -6.023 -5.884 1.00 0.00 O ATOM 0 H TYR A 81 -0.728 -1.603 -8.970 1.00 0.00 H new ATOM 0 HA TYR A 81 -3.471 -0.600 -8.697 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -1.558 -1.329 -6.396 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -3.024 -0.393 -6.182 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -1.654 -3.735 -6.927 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -5.262 -1.509 -6.291 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -2.866 -5.835 -6.457 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -6.475 -3.616 -5.831 1.00 0.00 H new ATOM 0 HH TYR A 81 -6.368 -5.901 -6.091 1.00 0.00 H new ATOM 1355 N LYS A 82 -2.564 1.691 -8.044 1.00 0.00 N ATOM 1356 CA LYS A 82 -2.015 3.037 -7.898 1.00 0.00 C ATOM 1357 C LYS A 82 -2.819 3.835 -6.900 1.00 0.00 C ATOM 1358 O LYS A 82 -4.059 3.859 -6.926 1.00 0.00 O ATOM 1359 CB LYS A 82 -1.988 3.745 -9.280 1.00 0.00 C ATOM 1360 CG LYS A 82 -1.618 5.247 -9.196 1.00 0.00 C ATOM 1361 CD LYS A 82 -1.647 5.996 -10.531 1.00 0.00 C ATOM 1362 CE LYS A 82 -2.575 7.212 -10.409 1.00 0.00 C ATOM 1363 NZ LYS A 82 -3.204 7.482 -11.714 1.00 0.00 N ATOM 0 H LYS A 82 -3.578 1.638 -7.944 1.00 0.00 H new ATOM 0 HA LYS A 82 -0.995 2.965 -7.522 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -1.271 3.238 -9.926 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -2.966 3.645 -9.750 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -2.305 5.737 -8.507 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -0.620 5.336 -8.768 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -0.642 6.317 -10.803 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -1.996 5.335 -11.324 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -3.341 7.025 -9.656 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -2.009 8.083 -10.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -3.833 8.306 -11.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -2.467 7.678 -12.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -3.757 6.653 -12.011 1.00 0.00 H new ATOM 1377 N VAL A 83 -2.127 4.490 -5.987 1.00 0.00 N ATOM 1378 CA VAL A 83 -2.782 5.187 -4.883 1.00 0.00 C ATOM 1379 C VAL A 83 -2.790 6.680 -5.115 1.00 0.00 C ATOM 1380 O VAL A 83 -1.745 7.332 -5.251 1.00 0.00 O ATOM 1381 CB VAL A 83 -2.066 4.823 -3.522 1.00 0.00 C ATOM 1382 CG1 VAL A 83 -0.529 5.047 -3.471 1.00 0.00 C ATOM 1383 CG2 VAL A 83 -2.628 5.579 -2.294 1.00 0.00 C ATOM 0 H VAL A 83 -1.109 4.557 -5.983 1.00 0.00 H new ATOM 0 HA VAL A 83 -3.821 4.862 -4.827 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.280 3.755 -3.479 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.152 4.762 -2.489 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -0.047 4.437 -4.235 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -0.308 6.099 -3.653 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.085 5.275 -1.399 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.510 6.652 -2.442 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.685 5.343 -2.174 1.00 0.00 H new ATOM 1393 N SER A 84 -3.980 7.245 -5.185 1.00 0.00 N ATOM 1394 CA SER A 84 -4.172 8.681 -5.383 1.00 0.00 C ATOM 1395 C SER A 84 -5.022 9.254 -4.275 1.00 0.00 C ATOM 1396 O SER A 84 -6.232 9.000 -4.180 1.00 0.00 O ATOM 1397 CB SER A 84 -4.771 8.966 -6.783 1.00 0.00 C ATOM 1398 OG SER A 84 -5.491 7.850 -7.318 1.00 0.00 O ATOM 0 H SER A 84 -4.852 6.722 -5.106 1.00 0.00 H new ATOM 0 HA SER A 84 -3.202 9.177 -5.342 1.00 0.00 H new ATOM 0 HB2 SER A 84 -5.438 9.826 -6.719 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.968 9.236 -7.468 1.00 0.00 H new ATOM 0 HG SER A 84 -5.849 8.084 -8.200 1.00 0.00 H new ATOM 1404 N ILE A 85 -4.406 10.045 -3.418 1.00 0.00 N ATOM 1405 CA ILE A 85 -5.071 10.533 -2.208 1.00 0.00 C ATOM 1406 C ILE A 85 -5.115 12.043 -2.212 1.00 0.00 C ATOM 1407 O ILE A 85 -4.052 12.709 -2.225 1.00 0.00 O ATOM 1408 CB ILE A 85 -4.401 9.916 -0.911 1.00 0.00 C ATOM 1409 CG1 ILE A 85 -3.764 8.496 -1.117 1.00 0.00 C ATOM 1410 CG2 ILE A 85 -5.382 9.853 0.303 1.00 0.00 C ATOM 1411 CD1 ILE A 85 -3.104 7.869 0.127 1.00 0.00 C ATOM 0 H ILE A 85 -3.445 10.368 -3.530 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.107 10.194 -2.195 1.00 0.00 H new ATOM 0 HB ILE A 85 -3.592 10.613 -0.695 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -4.540 7.819 -1.473 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -3.015 8.566 -1.906 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -4.869 9.422 1.163 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -5.721 10.859 0.549 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -6.241 9.234 0.045 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -2.698 6.891 -0.131 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -2.299 8.515 0.477 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -3.848 7.757 0.916 1.00 0.00 H new ATOM 1423 N TYR A 86 -6.285 12.650 -2.206 1.00 0.00 N ATOM 1424 CA TYR A 86 -6.435 14.085 -2.454 1.00 0.00 C ATOM 1425 C TYR A 86 -6.951 14.830 -1.246 1.00 0.00 C ATOM 1426 O TYR A 86 -7.389 14.255 -0.240 1.00 0.00 O ATOM 1427 CB TYR A 86 -7.441 14.321 -3.623 1.00 0.00 C ATOM 1428 CG TYR A 86 -7.385 13.326 -4.789 1.00 0.00 C ATOM 1429 CD1 TYR A 86 -6.165 12.986 -5.381 1.00 0.00 C ATOM 1430 CD2 TYR A 86 -8.568 12.762 -5.276 1.00 0.00 C ATOM 1431 CE1 TYR A 86 -6.135 12.121 -6.472 1.00 0.00 C ATOM 1432 CE2 TYR A 86 -8.535 11.895 -6.363 1.00 0.00 C ATOM 1433 CZ TYR A 86 -7.319 11.574 -6.959 1.00 0.00 C ATOM 1434 OH TYR A 86 -7.284 10.714 -8.021 1.00 0.00 O ATOM 0 H TYR A 86 -7.166 12.168 -2.029 1.00 0.00 H new ATOM 0 HA TYR A 86 -5.442 14.462 -2.701 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -8.450 14.307 -3.212 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -7.272 15.322 -4.021 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -5.244 13.395 -4.992 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -9.511 13.000 -4.806 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -5.193 11.875 -6.940 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -9.452 11.471 -6.744 1.00 0.00 H new ATOM 0 HH TYR A 86 -8.195 10.422 -8.236 1.00 0.00 H new ATOM 1444 N ASP A 87 -6.892 16.151 -1.322 1.00 0.00 N ATOM 1445 CA ASP A 87 -7.471 17.033 -0.313 1.00 0.00 C ATOM 1446 C ASP A 87 -8.869 17.455 -0.701 1.00 0.00 C ATOM 1447 O ASP A 87 -9.454 16.979 -1.688 1.00 0.00 O ATOM 1448 CB ASP A 87 -6.537 18.250 -0.069 1.00 0.00 C ATOM 1449 CG ASP A 87 -6.008 18.977 -1.316 1.00 0.00 C ATOM 1450 OD1 ASP A 87 -6.824 18.827 -2.402 1.00 0.00 O ATOM 1451 OD2 ASP A 87 -4.979 19.636 -1.316 1.00 0.00 O ATOM 0 H ASP A 87 -6.439 16.647 -2.089 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.557 16.488 0.627 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -7.074 18.974 0.544 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.682 17.910 0.515 1.00 0.00 H new ATOM 1456 N THR A 88 -9.453 18.344 0.084 1.00 0.00 N ATOM 1457 CA THR A 88 -10.843 18.753 -0.108 1.00 0.00 C ATOM 1458 C THR A 88 -11.084 19.323 -1.487 1.00 0.00 C ATOM 1459 O THR A 88 -12.223 19.284 -2.002 1.00 0.00 O ATOM 1460 CB THR A 88 -11.263 19.790 0.990 1.00 0.00 C ATOM 1461 OG1 THR A 88 -10.440 20.947 0.924 1.00 0.00 O ATOM 1462 CG2 THR A 88 -11.152 19.319 2.456 1.00 0.00 C ATOM 0 H THR A 88 -8.986 18.802 0.867 1.00 0.00 H new ATOM 0 HA THR A 88 -11.460 17.859 -0.013 1.00 0.00 H new ATOM 0 HB THR A 88 -12.314 19.965 0.758 1.00 0.00 H new ATOM 0 HG1 THR A 88 -10.716 21.585 1.615 1.00 0.00 H new ATOM 0 HG21 THR A 88 -11.470 20.122 3.121 1.00 0.00 H new ATOM 0 HG22 THR A 88 -11.790 18.448 2.608 1.00 0.00 H new ATOM 0 HG23 THR A 88 -10.118 19.054 2.676 1.00 0.00 H new ATOM 1470 N LYS A 89 -10.068 19.873 -2.124 1.00 0.00 N ATOM 1471 CA LYS A 89 -10.246 20.579 -3.394 1.00 0.00 C ATOM 1472 C LYS A 89 -9.909 19.708 -4.581 1.00 0.00 C ATOM 1473 O LYS A 89 -9.462 20.198 -5.637 1.00 0.00 O ATOM 1474 CB LYS A 89 -9.368 21.862 -3.390 1.00 0.00 C ATOM 1475 CG LYS A 89 -9.649 22.800 -2.190 1.00 0.00 C ATOM 1476 CD LYS A 89 -10.723 23.863 -2.440 1.00 0.00 C ATOM 1477 CE LYS A 89 -10.045 25.194 -2.789 1.00 0.00 C ATOM 1478 NZ LYS A 89 -10.810 26.304 -2.193 1.00 0.00 N ATOM 0 H LYS A 89 -9.105 19.848 -1.788 1.00 0.00 H new ATOM 0 HA LYS A 89 -11.297 20.849 -3.491 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -8.317 21.573 -3.377 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -9.536 22.411 -4.317 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -9.951 22.193 -1.336 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -8.721 23.300 -1.913 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -11.378 23.551 -3.253 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -11.348 23.981 -1.555 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -9.021 25.202 -2.416 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -9.991 25.315 -3.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -10.352 27.207 -2.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -11.779 26.299 -2.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -10.839 26.190 -1.160 1.00 0.00 H new ATOM 1492 N GLY A 90 -10.117 18.410 -4.463 1.00 0.00 N ATOM 1493 CA GLY A 90 -9.952 17.495 -5.588 1.00 0.00 C ATOM 1494 C GLY A 90 -8.523 17.449 -6.075 1.00 0.00 C ATOM 1495 O GLY A 90 -8.235 16.929 -7.172 1.00 0.00 O ATOM 0 H GLY A 90 -10.403 17.958 -3.594 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -10.266 16.494 -5.291 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -10.604 17.804 -6.405 1.00 0.00 H new ATOM 1499 N LYS A 91 -7.594 17.994 -5.313 1.00 0.00 N ATOM 1500 CA LYS A 91 -6.207 18.119 -5.757 1.00 0.00 C ATOM 1501 C LYS A 91 -5.391 16.909 -5.369 1.00 0.00 C ATOM 1502 O LYS A 91 -5.333 16.517 -4.190 1.00 0.00 O ATOM 1503 CB LYS A 91 -5.590 19.412 -5.151 1.00 0.00 C ATOM 1504 CG LYS A 91 -5.714 20.643 -6.083 1.00 0.00 C ATOM 1505 CD LYS A 91 -4.668 21.738 -5.854 1.00 0.00 C ATOM 1506 CE LYS A 91 -3.485 21.515 -6.806 1.00 0.00 C ATOM 1507 NZ LYS A 91 -2.223 21.743 -6.080 1.00 0.00 N ATOM 0 H LYS A 91 -7.770 18.361 -4.378 1.00 0.00 H new ATOM 0 HA LYS A 91 -6.193 18.183 -6.845 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -6.081 19.631 -4.203 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.537 19.236 -4.931 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -5.644 20.305 -7.117 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -6.706 21.077 -5.956 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -5.109 22.720 -6.027 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -4.326 21.720 -4.819 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -3.510 20.501 -7.204 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -3.556 22.193 -7.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -1.420 21.592 -6.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -2.200 22.719 -5.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -2.157 21.079 -5.282 1.00 0.00 H new ATOM 1521 N ASN A 92 -4.721 16.303 -6.332 1.00 0.00 N ATOM 1522 CA ASN A 92 -3.797 15.207 -6.047 1.00 0.00 C ATOM 1523 C ASN A 92 -2.594 15.704 -5.276 1.00 0.00 C ATOM 1524 O ASN A 92 -1.597 16.173 -5.842 1.00 0.00 O ATOM 1525 CB ASN A 92 -3.367 14.529 -7.379 1.00 0.00 C ATOM 1526 CG ASN A 92 -1.980 13.878 -7.416 1.00 0.00 C ATOM 1527 OD1 ASN A 92 -1.446 13.422 -6.416 1.00 0.00 O ATOM 1528 ND2 ASN A 92 -1.350 13.806 -8.557 1.00 0.00 N ATOM 0 H ASN A 92 -4.795 16.547 -7.320 1.00 0.00 H new ATOM 0 HA ASN A 92 -4.302 14.469 -5.424 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -4.105 13.765 -7.624 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -3.410 15.279 -8.169 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -0.427 13.374 -8.604 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -1.781 14.181 -9.402 1.00 0.00 H new ATOM 1535 N VAL A 93 -2.687 15.624 -3.961 1.00 0.00 N ATOM 1536 CA VAL A 93 -1.619 16.078 -3.070 1.00 0.00 C ATOM 1537 C VAL A 93 -0.479 15.083 -2.983 1.00 0.00 C ATOM 1538 O VAL A 93 0.688 15.430 -2.757 1.00 0.00 O ATOM 1539 CB VAL A 93 -2.216 16.360 -1.634 1.00 0.00 C ATOM 1540 CG1 VAL A 93 -3.426 17.333 -1.571 1.00 0.00 C ATOM 1541 CG2 VAL A 93 -2.676 15.085 -0.886 1.00 0.00 C ATOM 0 H VAL A 93 -3.500 15.245 -3.476 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.205 16.996 -3.486 1.00 0.00 H new ATOM 0 HB VAL A 93 -1.353 16.825 -1.158 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -3.747 17.448 -0.536 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.133 18.304 -1.970 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -4.248 16.931 -2.163 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -3.073 15.360 0.091 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -3.451 14.583 -1.465 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.828 14.413 -0.757 1.00 0.00 H new ATOM 1551 N LEU A 94 -0.819 13.822 -3.190 1.00 0.00 N ATOM 1552 CA LEU A 94 0.167 12.748 -3.240 1.00 0.00 C ATOM 1553 C LEU A 94 -0.312 11.613 -4.117 1.00 0.00 C ATOM 1554 O LEU A 94 -1.515 11.360 -4.272 1.00 0.00 O ATOM 1555 CB LEU A 94 0.500 12.242 -1.808 1.00 0.00 C ATOM 1556 CG LEU A 94 1.290 10.913 -1.667 1.00 0.00 C ATOM 1557 CD1 LEU A 94 2.705 11.077 -2.239 1.00 0.00 C ATOM 1558 CD2 LEU A 94 1.373 10.421 -0.213 1.00 0.00 C ATOM 0 H LEU A 94 -1.781 13.512 -3.328 1.00 0.00 H new ATOM 0 HA LEU A 94 1.081 13.147 -3.681 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.068 13.023 -1.302 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.440 12.130 -1.267 1.00 0.00 H new ATOM 0 HG LEU A 94 0.742 10.159 -2.233 1.00 0.00 H new ATOM 0 HD11 LEU A 94 3.250 10.139 -2.135 1.00 0.00 H new ATOM 0 HD12 LEU A 94 2.642 11.345 -3.294 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.228 11.863 -1.695 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.936 9.489 -0.176 1.00 0.00 H new ATOM 0 HD22 LEU A 94 1.874 11.172 0.397 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.367 10.253 0.172 1.00 0.00 H new ATOM 1570 N GLU A 95 0.635 10.905 -4.704 1.00 0.00 N ATOM 1571 CA GLU A 95 0.348 9.858 -5.680 1.00 0.00 C ATOM 1572 C GLU A 95 1.464 8.841 -5.716 1.00 0.00 C ATOM 1573 O GLU A 95 2.608 9.122 -5.312 1.00 0.00 O ATOM 1574 CB GLU A 95 0.145 10.523 -7.070 1.00 0.00 C ATOM 1575 CG GLU A 95 0.163 9.589 -8.325 1.00 0.00 C ATOM 1576 CD GLU A 95 1.513 9.258 -8.964 1.00 0.00 C ATOM 1577 OE1 GLU A 95 2.364 10.105 -9.203 1.00 0.00 O ATOM 1578 OE2 GLU A 95 1.678 7.935 -9.242 1.00 0.00 O ATOM 0 H GLU A 95 1.630 11.037 -4.520 1.00 0.00 H new ATOM 0 HA GLU A 95 -0.560 9.326 -5.398 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -0.810 11.049 -7.055 1.00 0.00 H new ATOM 0 HB3 GLU A 95 0.922 11.276 -7.200 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -0.312 8.649 -8.046 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -0.463 10.048 -9.090 1.00 0.00 H new ATOM 1585 N LYS A 96 1.177 7.647 -6.200 1.00 0.00 N ATOM 1586 CA LYS A 96 2.177 6.581 -6.253 1.00 0.00 C ATOM 1587 C LYS A 96 1.720 5.440 -7.131 1.00 0.00 C ATOM 1588 O LYS A 96 0.525 5.259 -7.405 1.00 0.00 O ATOM 1589 CB LYS A 96 2.477 6.087 -4.811 1.00 0.00 C ATOM 1590 CG LYS A 96 3.874 5.435 -4.661 1.00 0.00 C ATOM 1591 CD LYS A 96 5.052 6.350 -5.008 1.00 0.00 C ATOM 1592 CE LYS A 96 5.235 7.386 -3.890 1.00 0.00 C ATOM 1593 NZ LYS A 96 6.121 6.833 -2.851 1.00 0.00 N ATOM 0 H LYS A 96 0.261 7.385 -6.564 1.00 0.00 H new ATOM 0 HA LYS A 96 3.091 6.978 -6.695 1.00 0.00 H new ATOM 0 HB2 LYS A 96 2.402 6.930 -4.124 1.00 0.00 H new ATOM 0 HB3 LYS A 96 1.714 5.366 -4.516 1.00 0.00 H new ATOM 0 HG2 LYS A 96 3.990 5.091 -3.633 1.00 0.00 H new ATOM 0 HG3 LYS A 96 3.918 4.553 -5.299 1.00 0.00 H new ATOM 0 HD2 LYS A 96 5.962 5.762 -5.127 1.00 0.00 H new ATOM 0 HD3 LYS A 96 4.870 6.852 -5.958 1.00 0.00 H new ATOM 0 HE2 LYS A 96 5.661 8.304 -4.296 1.00 0.00 H new ATOM 0 HE3 LYS A 96 4.268 7.646 -3.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 6.165 7.491 -2.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 5.749 5.917 -2.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 7.075 6.701 -3.243 1.00 0.00 H new ATOM 1607 N ILE A 97 2.671 4.635 -7.571 1.00 0.00 N ATOM 1608 CA ILE A 97 2.402 3.516 -8.471 1.00 0.00 C ATOM 1609 C ILE A 97 2.811 2.207 -7.837 1.00 0.00 C ATOM 1610 O ILE A 97 3.903 2.067 -7.269 1.00 0.00 O ATOM 1611 CB ILE A 97 3.087 3.734 -9.881 1.00 0.00 C ATOM 1612 CG1 ILE A 97 3.290 5.231 -10.281 1.00 0.00 C ATOM 1613 CG2 ILE A 97 2.324 3.022 -11.041 1.00 0.00 C ATOM 1614 CD1 ILE A 97 4.311 5.497 -11.406 1.00 0.00 C ATOM 0 H ILE A 97 3.654 4.735 -7.317 1.00 0.00 H new ATOM 0 HA ILE A 97 1.327 3.471 -8.646 1.00 0.00 H new ATOM 0 HB ILE A 97 4.070 3.282 -9.746 1.00 0.00 H new ATOM 0 HG12 ILE A 97 2.327 5.638 -10.588 1.00 0.00 H new ATOM 0 HG13 ILE A 97 3.603 5.784 -9.395 1.00 0.00 H new ATOM 0 HG21 ILE A 97 2.840 3.207 -11.983 1.00 0.00 H new ATOM 0 HG22 ILE A 97 2.290 1.949 -10.850 1.00 0.00 H new ATOM 0 HG23 ILE A 97 1.308 3.412 -11.101 1.00 0.00 H new ATOM 0 HD11 ILE A 97 4.369 6.568 -11.599 1.00 0.00 H new ATOM 0 HD12 ILE A 97 5.291 5.129 -11.102 1.00 0.00 H new ATOM 0 HD13 ILE A 97 3.995 4.982 -12.313 1.00 0.00 H new ATOM 1626 N PHE A 98 1.949 1.213 -7.947 1.00 0.00 N ATOM 1627 CA PHE A 98 2.133 -0.061 -7.256 1.00 0.00 C ATOM 1628 C PHE A 98 1.847 -1.236 -8.160 1.00 0.00 C ATOM 1629 O PHE A 98 1.203 -1.114 -9.214 1.00 0.00 O ATOM 1630 CB PHE A 98 1.178 -0.117 -6.019 1.00 0.00 C ATOM 1631 CG PHE A 98 1.404 0.970 -4.953 1.00 0.00 C ATOM 1632 CD1 PHE A 98 2.664 1.567 -4.842 1.00 0.00 C ATOM 1633 CD2 PHE A 98 0.360 1.416 -4.142 1.00 0.00 C ATOM 1634 CE1 PHE A 98 2.897 2.547 -3.884 1.00 0.00 C ATOM 1635 CE2 PHE A 98 0.590 2.404 -3.187 1.00 0.00 C ATOM 1636 CZ PHE A 98 1.862 2.956 -3.046 1.00 0.00 C ATOM 0 H PHE A 98 1.103 1.260 -8.514 1.00 0.00 H new ATOM 0 HA PHE A 98 3.174 -0.126 -6.940 1.00 0.00 H new ATOM 0 HB2 PHE A 98 0.150 -0.045 -6.373 1.00 0.00 H new ATOM 0 HB3 PHE A 98 1.284 -1.093 -5.545 1.00 0.00 H new ATOM 0 HD1 PHE A 98 3.461 1.265 -5.505 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -0.628 0.995 -4.255 1.00 0.00 H new ATOM 0 HE1 PHE A 98 3.877 2.990 -3.790 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -0.218 2.742 -2.555 1.00 0.00 H new ATOM 0 HZ PHE A 98 2.045 3.701 -2.286 1.00 0.00 H new ATOM 1646 N ASP A 99 2.343 -2.406 -7.788 1.00 0.00 N ATOM 1647 CA ASP A 99 2.151 -3.614 -8.589 1.00 0.00 C ATOM 1648 C ASP A 99 2.030 -4.850 -7.725 1.00 0.00 C ATOM 1649 O ASP A 99 3.016 -5.568 -7.482 1.00 0.00 O ATOM 1650 CB ASP A 99 3.297 -3.759 -9.625 1.00 0.00 C ATOM 1651 CG ASP A 99 3.741 -2.482 -10.354 1.00 0.00 C ATOM 1652 OD1 ASP A 99 3.114 -1.992 -11.281 1.00 0.00 O ATOM 1653 OD2 ASP A 99 4.916 -1.978 -9.870 1.00 0.00 O ATOM 0 H ASP A 99 2.883 -2.549 -6.935 1.00 0.00 H new ATOM 0 HA ASP A 99 1.209 -3.514 -9.127 1.00 0.00 H new ATOM 0 HB2 ASP A 99 4.165 -4.177 -9.115 1.00 0.00 H new ATOM 0 HB3 ASP A 99 2.987 -4.487 -10.375 1.00 0.00 H new ATOM 1658 N LEU A 100 0.827 -5.149 -7.273 1.00 0.00 N ATOM 1659 CA LEU A 100 0.592 -6.259 -6.349 1.00 0.00 C ATOM 1660 C LEU A 100 1.000 -7.571 -6.973 1.00 0.00 C ATOM 1661 O LEU A 100 0.328 -8.098 -7.877 1.00 0.00 O ATOM 1662 CB LEU A 100 -0.897 -6.289 -5.903 1.00 0.00 C ATOM 1663 CG LEU A 100 -1.366 -7.372 -4.896 1.00 0.00 C ATOM 1664 CD1 LEU A 100 -1.100 -8.780 -5.446 1.00 0.00 C ATOM 1665 CD2 LEU A 100 -0.716 -7.227 -3.510 1.00 0.00 C ATOM 0 H LEU A 100 -0.016 -4.636 -7.530 1.00 0.00 H new ATOM 0 HA LEU A 100 1.208 -6.107 -5.463 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -1.129 -5.316 -5.469 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -1.506 -6.391 -6.801 1.00 0.00 H new ATOM 0 HG LEU A 100 -2.438 -7.223 -4.769 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -1.437 -9.523 -4.723 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -1.642 -8.913 -6.382 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -0.032 -8.905 -5.624 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -1.085 -8.013 -2.851 1.00 0.00 H new ATOM 0 HD22 LEU A 100 0.367 -7.311 -3.605 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -0.969 -6.254 -3.090 1.00 0.00 H new ATOM 1677 N LYS A 101 2.098 -8.146 -6.500 1.00 0.00 N ATOM 1678 CA LYS A 101 2.646 -9.352 -7.117 1.00 0.00 C ATOM 1679 C LYS A 101 2.366 -10.592 -6.293 1.00 0.00 C ATOM 1680 O LYS A 101 1.891 -10.557 -5.150 1.00 0.00 O ATOM 1681 CB LYS A 101 4.180 -9.197 -7.329 1.00 0.00 C ATOM 1682 CG LYS A 101 4.591 -7.861 -7.994 1.00 0.00 C ATOM 1683 CD LYS A 101 6.090 -7.715 -8.274 1.00 0.00 C ATOM 1684 CE LYS A 101 6.316 -7.605 -9.787 1.00 0.00 C ATOM 1685 NZ LYS A 101 5.503 -8.620 -10.480 1.00 0.00 N ATOM 0 H LYS A 101 2.625 -7.802 -5.697 1.00 0.00 H new ATOM 0 HA LYS A 101 2.152 -9.475 -8.081 1.00 0.00 H new ATOM 0 HB2 LYS A 101 4.680 -9.280 -6.364 1.00 0.00 H new ATOM 0 HB3 LYS A 101 4.537 -10.023 -7.945 1.00 0.00 H new ATOM 0 HG2 LYS A 101 4.049 -7.758 -8.934 1.00 0.00 H new ATOM 0 HG3 LYS A 101 4.274 -7.039 -7.351 1.00 0.00 H new ATOM 0 HD2 LYS A 101 6.481 -6.830 -7.771 1.00 0.00 H new ATOM 0 HD3 LYS A 101 6.631 -8.573 -7.876 1.00 0.00 H new ATOM 0 HE2 LYS A 101 6.046 -6.608 -10.134 1.00 0.00 H new ATOM 0 HE3 LYS A 101 7.371 -7.748 -10.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 6.026 -8.981 -11.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 5.298 -9.405 -9.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 4.610 -8.192 -10.798 1.00 0.00 H new ATOM 1699 N ILE A 102 2.692 -11.732 -6.878 1.00 0.00 N ATOM 1700 CA ILE A 102 2.666 -13.024 -6.199 1.00 0.00 C ATOM 1701 C ILE A 102 3.984 -13.739 -6.396 1.00 0.00 C ATOM 1702 O ILE A 102 4.663 -13.572 -7.422 1.00 0.00 O ATOM 1703 CB ILE A 102 1.449 -13.927 -6.656 1.00 0.00 C ATOM 1704 CG1 ILE A 102 0.036 -13.292 -6.449 1.00 0.00 C ATOM 1705 CG2 ILE A 102 1.450 -15.329 -5.968 1.00 0.00 C ATOM 1706 CD1 ILE A 102 -0.816 -13.905 -5.318 1.00 0.00 C ATOM 0 H ILE A 102 2.987 -11.791 -7.853 1.00 0.00 H new ATOM 0 HA ILE A 102 2.521 -12.834 -5.136 1.00 0.00 H new ATOM 0 HB ILE A 102 1.617 -14.025 -7.729 1.00 0.00 H new ATOM 0 HG12 ILE A 102 0.162 -12.228 -6.247 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -0.520 -13.376 -7.383 1.00 0.00 H new ATOM 0 HG21 ILE A 102 0.594 -15.906 -6.318 1.00 0.00 H new ATOM 0 HG22 ILE A 102 2.370 -15.857 -6.218 1.00 0.00 H new ATOM 0 HG23 ILE A 102 1.386 -15.204 -4.887 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -1.774 -13.389 -5.264 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -0.984 -14.962 -5.522 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -0.292 -13.797 -4.368 1.00 0.00 H new ATOM 1718 N GLN A 103 4.355 -14.576 -5.446 1.00 0.00 N ATOM 1719 CA GLN A 103 5.676 -15.201 -5.456 1.00 0.00 C ATOM 1720 C GLN A 103 5.606 -16.635 -4.988 1.00 0.00 C ATOM 1721 O GLN A 103 4.801 -17.003 -4.120 1.00 0.00 O ATOM 1722 CB GLN A 103 6.628 -14.374 -4.563 1.00 0.00 C ATOM 1723 CG GLN A 103 7.769 -15.169 -3.848 1.00 0.00 C ATOM 1724 CD GLN A 103 7.735 -15.325 -2.323 1.00 0.00 C ATOM 1725 OE1 GLN A 103 6.827 -15.926 -1.770 1.00 0.00 O ATOM 1726 NE2 GLN A 103 8.704 -14.832 -1.593 1.00 0.00 N ATOM 0 H GLN A 103 3.766 -14.842 -4.657 1.00 0.00 H new ATOM 0 HA GLN A 103 6.057 -15.216 -6.477 1.00 0.00 H new ATOM 0 HB2 GLN A 103 7.084 -13.597 -5.176 1.00 0.00 H new ATOM 0 HB3 GLN A 103 6.032 -13.870 -3.802 1.00 0.00 H new ATOM 0 HG2 GLN A 103 7.790 -16.170 -4.279 1.00 0.00 H new ATOM 0 HG3 GLN A 103 8.713 -14.690 -4.107 1.00 0.00 H new ATOM 0 HE21 GLN A 103 9.471 -14.327 -2.037 1.00 0.00 H new ATOM 0 HE22 GLN A 103 8.692 -14.953 -0.580 1.00 0.00 H new ATOM 1735 N GLU A 104 6.466 -17.468 -5.543 1.00 0.00 N ATOM 1736 CA GLU A 104 6.471 -18.902 -5.245 1.00 0.00 C ATOM 1737 C GLU A 104 7.888 -19.443 -5.287 1.00 0.00 C ATOM 1738 O GLU A 104 8.247 -20.429 -5.941 1.00 0.00 O ATOM 1739 CB GLU A 104 5.561 -19.632 -6.266 1.00 0.00 C ATOM 1740 CG GLU A 104 4.442 -20.575 -5.718 1.00 0.00 C ATOM 1741 CD GLU A 104 4.772 -22.059 -5.531 1.00 0.00 C ATOM 1742 OE1 GLU A 104 5.300 -22.501 -4.519 1.00 0.00 O ATOM 1743 OE2 GLU A 104 4.425 -22.836 -6.594 1.00 0.00 O ATOM 0 H GLU A 104 7.181 -17.179 -6.211 1.00 0.00 H new ATOM 0 HA GLU A 104 6.083 -19.073 -4.241 1.00 0.00 H new ATOM 0 HB2 GLU A 104 5.083 -18.874 -6.887 1.00 0.00 H new ATOM 0 HB3 GLU A 104 6.202 -20.222 -6.921 1.00 0.00 H new ATOM 0 HG2 GLU A 104 4.118 -20.182 -4.754 1.00 0.00 H new ATOM 0 HG3 GLU A 104 3.589 -20.506 -6.393 1.00 0.00 H new ATOM 1750 N ARG A 105 8.737 -18.763 -4.519 1.00 0.00 N ATOM 1751 CA ARG A 105 10.129 -19.153 -4.334 1.00 0.00 C ATOM 1752 C ARG A 105 10.385 -19.608 -2.916 1.00 0.00 C ATOM 1753 O ARG A 105 9.788 -19.086 -1.925 1.00 0.00 O ATOM 1754 CB ARG A 105 11.045 -17.959 -4.718 1.00 0.00 C ATOM 1755 CG ARG A 105 10.740 -17.320 -6.099 1.00 0.00 C ATOM 1756 CD ARG A 105 11.408 -15.950 -6.274 1.00 0.00 C ATOM 1757 NE ARG A 105 12.853 -16.166 -6.542 1.00 0.00 N ATOM 1758 CZ ARG A 105 13.848 -15.450 -6.036 1.00 0.00 C ATOM 1759 NH1 ARG A 105 13.688 -14.391 -5.299 1.00 0.00 N ATOM 1760 NH2 ARG A 105 15.047 -15.834 -6.295 1.00 0.00 N ATOM 1761 OXT ARG A 105 11.215 -20.559 -2.779 1.00 0.00 O ATOM 0 H ARG A 105 8.475 -17.922 -4.006 1.00 0.00 H new ATOM 0 HA ARG A 105 10.354 -19.999 -4.983 1.00 0.00 H new ATOM 0 HB2 ARG A 105 10.956 -17.190 -3.951 1.00 0.00 H new ATOM 0 HB3 ARG A 105 12.081 -18.298 -4.711 1.00 0.00 H new ATOM 0 HG2 ARG A 105 11.080 -17.990 -6.889 1.00 0.00 H new ATOM 0 HG3 ARG A 105 9.662 -17.212 -6.215 1.00 0.00 H new ATOM 0 HD2 ARG A 105 10.946 -15.405 -7.098 1.00 0.00 H new ATOM 0 HD3 ARG A 105 11.275 -15.345 -5.377 1.00 0.00 H new ATOM 0 HE ARG A 105 13.101 -16.931 -7.169 1.00 0.00 H new ATOM 0 HH11 ARG A 105 12.749 -14.062 -5.076 1.00 0.00 H new ATOM 0 HH12 ARG A 105 14.502 -13.889 -4.944 1.00 0.00 H new ATOM 0 HH21 ARG A 105 15.204 -16.661 -6.870 1.00 0.00 H new ATOM 0 HH22 ARG A 105 15.841 -15.311 -5.925 1.00 0.00 H new TER 1775 ARG A 105 HETATM 1776 C1 NAG A 106 -1.154 1.600 8.537 1.00 0.00 C HETATM 1777 C2 NAG A 106 0.255 0.961 8.688 1.00 0.00 C HETATM 1778 C3 NAG A 106 0.126 -0.586 8.829 1.00 0.00 C HETATM 1779 C4 NAG A 106 -0.858 -0.991 9.973 1.00 0.00 C HETATM 1780 C5 NAG A 106 -2.231 -0.291 9.731 1.00 0.00 C HETATM 1781 C6 NAG A 106 -3.266 -0.511 10.851 1.00 0.00 C HETATM 1782 C7 NAG A 106 2.293 1.935 7.642 1.00 0.00 C HETATM 1783 C8 NAG A 106 3.029 2.200 6.328 1.00 0.00 C HETATM 1784 N2 NAG A 106 1.119 1.298 7.525 1.00 0.00 N HETATM 1785 O3 NAG A 106 1.419 -1.129 9.083 1.00 0.00 O HETATM 1786 O4 NAG A 106 -1.049 -2.440 10.050 1.00 0.00 O HETATM 1787 O5 NAG A 106 -2.027 1.146 9.607 1.00 0.00 O HETATM 1788 O6 NAG A 106 -4.027 -1.687 10.614 1.00 0.00 O HETATM 1789 O7 NAG A 106 2.777 2.307 8.714 1.00 0.00 O HETATM 0 HO6 NAG A 106 -4.676 -1.808 11.338 1.00 0.00 H new HETATM 0 HO3 NAG A 106 1.353 -2.102 9.176 1.00 0.00 H new HETATM 0 HN2 NAG A 106 0.803 1.031 6.593 1.00 0.00 H new HETATM 0 H83 NAG A 106 3.240 1.253 5.832 1.00 0.00 H new HETATM 0 H82 NAG A 106 2.407 2.818 5.680 1.00 0.00 H new HETATM 0 H81 NAG A 106 3.965 2.719 6.534 1.00 0.00 H new HETATM 0 H62 NAG A 106 -2.757 -0.590 11.812 1.00 0.00 H new HETATM 0 H61 NAG A 106 -3.930 0.351 10.912 1.00 0.00 H new HETATM 0 H5 NAG A 106 -2.629 -0.742 8.822 1.00 0.00 H new HETATM 0 H4 NAG A 106 -0.426 -0.671 10.921 1.00 0.00 H new HETATM 0 H3 NAG A 106 -0.282 -0.985 7.900 1.00 0.00 H new HETATM 0 H2 NAG A 106 0.720 1.365 9.587 1.00 0.00 H new HETATM 1803 C1 NAG A 107 -1.187 -2.984 11.403 1.00 0.00 C HETATM 1804 C2 NAG A 107 -1.873 -4.380 11.396 1.00 0.00 C HETATM 1805 C3 NAG A 107 -1.799 -4.985 12.833 1.00 0.00 C HETATM 1806 C4 NAG A 107 -0.355 -4.997 13.413 1.00 0.00 C HETATM 1807 C5 NAG A 107 0.260 -3.568 13.322 1.00 0.00 C HETATM 1808 C6 NAG A 107 1.746 -3.488 13.718 1.00 0.00 C HETATM 1809 C7 NAG A 107 -4.406 -4.518 11.541 1.00 0.00 C HETATM 1810 C8 NAG A 107 -5.702 -4.392 10.733 1.00 0.00 C HETATM 1811 N2 NAG A 107 -3.267 -4.261 10.887 1.00 0.00 N HETATM 1812 O3 NAG A 107 -2.270 -6.325 12.806 1.00 0.00 O HETATM 1813 O4 NAG A 107 -0.388 -5.454 14.797 1.00 0.00 O HETATM 1814 O5 NAG A 107 0.156 -3.102 11.949 1.00 0.00 O HETATM 1815 O6 NAG A 107 2.581 -3.453 12.569 1.00 0.00 O HETATM 1816 O7 NAG A 107 -4.466 -4.850 12.726 1.00 0.00 O HETATM 0 HO6 NAG A 107 2.030 -3.332 11.768 1.00 0.00 H new HETATM 0 HO3 NAG A 107 -3.242 -6.333 12.928 1.00 0.00 H new HETATM 0 HN2 NAG A 107 -3.366 -3.945 9.922 1.00 0.00 H new HETATM 0 H83 NAG A 107 -5.799 -3.374 10.357 1.00 0.00 H new HETATM 0 H82 NAG A 107 -5.677 -5.088 9.894 1.00 0.00 H new HETATM 0 H81 NAG A 107 -6.554 -4.625 11.372 1.00 0.00 H new HETATM 0 H62 NAG A 107 1.917 -2.597 14.323 1.00 0.00 H new HETATM 0 H61 NAG A 107 2.008 -4.347 14.335 1.00 0.00 H new HETATM 0 H5 NAG A 107 -0.301 -2.956 14.029 1.00 0.00 H new HETATM 0 H4 NAG A 107 0.266 -5.680 12.834 1.00 0.00 H new HETATM 0 H3 NAG A 107 -2.416 -4.352 13.470 1.00 0.00 H new HETATM 0 H2 NAG A 107 -1.355 -5.062 10.722 1.00 0.00 H new HETATM 1830 C1 BMA A 108 0.432 -6.607 15.125 1.00 0.00 C HETATM 1831 C2 BMA A 108 1.355 -6.285 16.331 1.00 0.00 C HETATM 1832 C3 BMA A 108 2.156 -7.556 16.737 1.00 0.00 C HETATM 1833 C4 BMA A 108 1.224 -8.779 16.967 1.00 0.00 C HETATM 1834 C5 BMA A 108 0.288 -8.996 15.739 1.00 0.00 C HETATM 1835 C6 BMA A 108 -0.749 -10.111 15.964 1.00 0.00 C HETATM 1836 O2 BMA A 108 0.579 -5.814 17.430 1.00 0.00 O HETATM 1837 O3 BMA A 108 2.948 -7.324 17.935 1.00 0.00 O HETATM 1838 O4 BMA A 108 2.019 -9.939 17.188 1.00 0.00 O HETATM 1839 O5 BMA A 108 -0.421 -7.752 15.430 1.00 0.00 O HETATM 1840 O6 BMA A 108 -1.934 -9.855 15.168 1.00 0.00 O HETATM 0 HO4 BMA A 108 1.447 -10.675 17.491 1.00 0.00 H new HETATM 0 HO2 BMA A 108 -0.265 -5.441 17.099 1.00 0.00 H new HETATM 0 H62 BMA A 108 -0.321 -11.077 15.694 1.00 0.00 H new HETATM 0 H61 BMA A 108 -1.015 -10.164 17.020 1.00 0.00 H new HETATM 0 H5 BMA A 108 0.927 -9.299 14.910 1.00 0.00 H new HETATM 0 H4 BMA A 108 0.600 -8.592 17.841 1.00 0.00 H new HETATM 0 H3 BMA A 108 2.824 -7.778 15.904 1.00 0.00 H new HETATM 0 H2 BMA A 108 2.058 -5.503 16.044 1.00 0.00 H new HETATM 1850 C1 MAN A 109 4.276 -6.746 17.769 1.00 0.00 C HETATM 1851 C2 MAN A 109 5.199 -7.176 18.941 1.00 0.00 C HETATM 1852 C3 MAN A 109 4.813 -6.439 20.253 1.00 0.00 C HETATM 1853 C4 MAN A 109 4.700 -4.903 20.068 1.00 0.00 C HETATM 1854 C5 MAN A 109 3.763 -4.565 18.870 1.00 0.00 C HETATM 1855 C6 MAN A 109 3.724 -3.068 18.509 1.00 0.00 C HETATM 1856 O2 MAN A 109 6.576 -6.861 18.588 1.00 0.00 O HETATM 1857 O3 MAN A 109 5.768 -6.731 21.267 1.00 0.00 O HETATM 1858 O4 MAN A 109 4.202 -4.326 21.270 1.00 0.00 O HETATM 1859 O5 MAN A 109 4.201 -5.290 17.681 1.00 0.00 O HETATM 1860 O6 MAN A 109 3.895 -2.868 17.111 1.00 0.00 O HETATM 0 HO6 MAN A 109 4.096 -3.725 16.680 1.00 0.00 H new HETATM 0 HO4 MAN A 109 4.130 -3.355 21.161 1.00 0.00 H new HETATM 0 HO3 MAN A 109 6.636 -6.921 20.854 1.00 0.00 H new HETATM 0 H62 MAN A 109 2.773 -2.640 18.826 1.00 0.00 H new HETATM 0 H61 MAN A 109 4.508 -2.540 19.052 1.00 0.00 H new HETATM 0 H5 MAN A 109 2.763 -4.860 19.189 1.00 0.00 H new HETATM 0 H4 MAN A 109 5.685 -4.491 19.850 1.00 0.00 H new HETATM 0 H3 MAN A 109 3.827 -6.801 20.546 1.00 0.00 H new HETATM 0 H2 MAN A 109 5.085 -8.247 19.110 1.00 0.00 H new HETATM 1871 C1 MAN A 110 7.320 -7.866 17.846 1.00 0.00 C HETATM 1872 C2 MAN A 110 8.827 -7.786 18.196 1.00 0.00 C HETATM 1873 C3 MAN A 110 9.483 -6.526 17.574 1.00 0.00 C HETATM 1874 C4 MAN A 110 9.193 -6.395 16.057 1.00 0.00 C HETATM 1875 C5 MAN A 110 7.663 -6.501 15.776 1.00 0.00 C HETATM 1876 C6 MAN A 110 7.313 -6.573 14.277 1.00 0.00 C HETATM 1877 O2 MAN A 110 9.472 -8.961 17.712 1.00 0.00 O HETATM 1878 O3 MAN A 110 10.888 -6.558 17.798 1.00 0.00 O HETATM 1879 O4 MAN A 110 9.701 -5.147 15.596 1.00 0.00 O HETATM 1880 O5 MAN A 110 7.118 -7.702 16.408 1.00 0.00 O HETATM 1881 O6 MAN A 110 5.972 -6.166 14.034 1.00 0.00 O HETATM 0 HO6 MAN A 110 5.782 -6.222 13.074 1.00 0.00 H new HETATM 0 HO4 MAN A 110 9.819 -5.181 14.624 1.00 0.00 H new HETATM 0 HO3 MAN A 110 11.301 -5.762 17.403 1.00 0.00 H new HETATM 0 HO2 MAN A 110 10.393 -8.746 17.455 1.00 0.00 H new HETATM 0 H62 MAN A 110 7.995 -5.937 13.712 1.00 0.00 H new HETATM 0 H61 MAN A 110 7.456 -7.592 13.918 1.00 0.00 H new HETATM 0 H5 MAN A 110 7.228 -5.590 16.187 1.00 0.00 H new HETATM 0 H4 MAN A 110 9.685 -7.208 15.523 1.00 0.00 H new HETATM 0 H3 MAN A 110 9.045 -5.655 18.062 1.00 0.00 H new HETATM 0 H2 MAN A 110 8.936 -7.715 19.278 1.00 0.00 H new HETATM 1893 C1 MAN A 111 -2.461 -11.020 14.472 1.00 0.00 C HETATM 1894 C2 MAN A 111 -3.510 -10.588 13.413 1.00 0.00 C HETATM 1895 C3 MAN A 111 -4.839 -10.126 14.076 1.00 0.00 C HETATM 1896 C4 MAN A 111 -5.367 -11.137 15.134 1.00 0.00 C HETATM 1897 C5 MAN A 111 -4.240 -11.507 16.141 1.00 0.00 C HETATM 1898 C6 MAN A 111 -4.627 -12.571 17.182 1.00 0.00 C HETATM 1899 O2 MAN A 111 -3.759 -11.687 12.541 1.00 0.00 O HETATM 1900 O3 MAN A 111 -5.849 -9.937 13.049 1.00 0.00 O HETATM 1901 O4 MAN A 111 -6.476 -10.560 15.817 1.00 0.00 O HETATM 1902 O5 MAN A 111 -3.061 -11.964 15.414 1.00 0.00 O HETATM 1903 O6 MAN A 111 -3.950 -13.813 16.907 1.00 0.00 O HETATM 0 HO4 MAN A 111 -7.090 -11.269 16.101 1.00 0.00 H new HETATM 0 HO2 MAN A 111 -4.698 -11.676 12.260 1.00 0.00 H new HETATM 0 H62 MAN A 111 -4.368 -12.222 18.182 1.00 0.00 H new HETATM 0 H61 MAN A 111 -5.706 -12.727 17.168 1.00 0.00 H new HETATM 0 H5 MAN A 111 -4.040 -10.593 16.700 1.00 0.00 H new HETATM 0 H4 MAN A 111 -5.686 -12.052 14.634 1.00 0.00 H new HETATM 0 H3 MAN A 111 -4.633 -9.190 14.595 1.00 0.00 H new HETATM 0 H2 MAN A 111 -3.112 -9.741 12.854 1.00 0.00 H new HETATM 1913 C1 MAN A 112 -5.986 -8.632 12.432 1.00 0.00 C HETATM 1914 C2 MAN A 112 -6.841 -7.701 13.329 1.00 0.00 C HETATM 1915 C3 MAN A 112 -8.326 -8.151 13.333 1.00 0.00 C HETATM 1916 C4 MAN A 112 -8.900 -8.332 11.903 1.00 0.00 C HETATM 1917 C5 MAN A 112 -7.967 -9.232 11.038 1.00 0.00 C HETATM 1918 C6 MAN A 112 -8.367 -9.293 9.552 1.00 0.00 C HETATM 1919 O2 MAN A 112 -6.732 -6.367 12.840 1.00 0.00 O HETATM 1920 O3 MAN A 112 -9.115 -7.210 14.055 1.00 0.00 O HETATM 1921 O4 MAN A 112 -10.199 -8.909 11.997 1.00 0.00 O HETATM 1922 O5 MAN A 112 -6.590 -8.741 11.102 1.00 0.00 O HETATM 1923 O6 MAN A 112 -8.275 -10.619 9.045 1.00 0.00 O HETATM 0 HO6 MAN A 112 -8.536 -10.627 8.101 1.00 0.00 H new HETATM 0 HO4 MAN A 112 -10.694 -8.738 11.169 1.00 0.00 H new HETATM 0 HO3 MAN A 112 -8.699 -6.324 14.000 1.00 0.00 H new HETATM 0 HO2 MAN A 112 -5.806 -6.059 12.932 1.00 0.00 H new HETATM 0 H62 MAN A 112 -9.386 -8.926 9.432 1.00 0.00 H new HETATM 0 H61 MAN A 112 -7.721 -8.634 8.972 1.00 0.00 H new HETATM 0 H5 MAN A 112 -8.062 -10.233 11.458 1.00 0.00 H new HETATM 0 H4 MAN A 112 -8.964 -7.359 11.417 1.00 0.00 H new HETATM 0 H3 MAN A 112 -8.365 -9.125 13.821 1.00 0.00 H new HETATM 0 H2 MAN A 112 -6.474 -7.752 14.354 1.00 0.00 H new HETATM 1935 C1 MAN A 113 -4.278 -14.940 17.758 1.00 0.00 C HETATM 1936 C2 MAN A 113 -2.972 -15.552 18.332 1.00 0.00 C HETATM 1937 C3 MAN A 113 -2.174 -16.275 17.207 1.00 0.00 C HETATM 1938 C4 MAN A 113 -3.037 -17.261 16.377 1.00 0.00 C HETATM 1939 C5 MAN A 113 -4.347 -16.576 15.884 1.00 0.00 C HETATM 1940 C6 MAN A 113 -5.349 -17.541 15.221 1.00 0.00 C HETATM 1941 O2 MAN A 113 -3.294 -16.477 19.405 1.00 0.00 O HETATM 1942 O3 MAN A 113 -1.062 -16.962 17.770 1.00 0.00 O HETATM 1943 O4 MAN A 113 -2.271 -17.718 15.266 1.00 0.00 O HETATM 1944 O5 MAN A 113 -5.031 -15.940 17.008 1.00 0.00 O HETATM 1945 O6 MAN A 113 -6.049 -16.907 14.158 1.00 0.00 O HETATM 0 HO6 MAN A 113 -6.677 -17.543 13.755 1.00 0.00 H new HETATM 0 HO4 MAN A 113 -2.655 -18.553 14.925 1.00 0.00 H new HETATM 0 HO3 MAN A 113 -1.231 -17.135 18.720 1.00 0.00 H new HETATM 0 H62 MAN A 113 -4.819 -18.414 14.841 1.00 0.00 H new HETATM 0 H61 MAN A 113 -6.060 -17.899 15.966 1.00 0.00 H new HETATM 0 H5 MAN A 113 -4.029 -15.853 15.133 1.00 0.00 H new HETATM 0 H4 MAN A 113 -3.321 -18.106 17.005 1.00 0.00 H new HETATM 0 H3 MAN A 113 -1.834 -15.502 16.518 1.00 0.00 H new HETATM 0 H2 MAN A 113 -2.349 -14.752 18.732 1.00 0.00 H new HETATM 1956 C1 MAN A 114 -4.619 -17.035 19.587 1.00 0.00 C HETATM 1957 C2 MAN A 114 -4.815 -17.476 21.061 1.00 0.00 C HETATM 1958 C3 MAN A 114 -3.997 -18.756 21.376 1.00 0.00 C HETATM 1959 C4 MAN A 114 -4.255 -19.894 20.354 1.00 0.00 C HETATM 1960 C5 MAN A 114 -4.063 -19.376 18.897 1.00 0.00 C HETATM 1961 C6 MAN A 114 -4.476 -20.391 17.813 1.00 0.00 C HETATM 1962 O2 MAN A 114 -6.201 -17.714 21.287 1.00 0.00 O HETATM 1963 O3 MAN A 114 -4.300 -19.209 22.691 1.00 0.00 O HETATM 1964 O4 MAN A 114 -3.361 -20.969 20.622 1.00 0.00 O HETATM 1965 O5 MAN A 114 -4.857 -18.166 18.687 1.00 0.00 O HETATM 1966 O6 MAN A 114 -5.843 -20.761 17.943 1.00 0.00 O HETATM 0 HO6 MAN A 114 -6.076 -21.404 17.241 1.00 0.00 H new HETATM 0 HO4 MAN A 114 -3.621 -21.751 20.091 1.00 0.00 H new HETATM 0 HO3 MAN A 114 -3.783 -20.018 22.885 1.00 0.00 H new HETATM 0 HO2 MAN A 114 -6.307 -18.402 21.977 1.00 0.00 H new HETATM 0 H62 MAN A 114 -4.306 -19.961 16.826 1.00 0.00 H new HETATM 0 H61 MAN A 114 -3.848 -21.279 17.886 1.00 0.00 H new HETATM 0 H5 MAN A 114 -2.994 -19.189 18.796 1.00 0.00 H new HETATM 0 H4 MAN A 114 -5.283 -20.242 20.453 1.00 0.00 H new HETATM 0 H3 MAN A 114 -2.942 -18.492 21.304 1.00 0.00 H new HETATM 0 H2 MAN A 114 -4.458 -16.684 21.719 1.00 0.00 H new