USER MOD reduce.3.24.130724 H: found=0, std=0, add=805, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 799 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 39 GLN : amide:sc= -5.87! C(o=-6!,f=-9.4!) USER MOD Set 1.2: A 59 TYR OH : rot -39:sc= -0.136 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= -1.2 USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= -1! USER MOD Single : A 35 ASN : amide:sc= -1.71! C(o=-1.7!,f=-5.6!) USER MOD Single : A 36 THR OG1 : rot 98:sc= 0.0785 USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=-0.0035) USER MOD Single : A 47 CYS SG : rot -102:sc= -3.85! USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 7:sc= 0.559 USER MOD Single : A 64 GLN : amide:sc= -0.407 K(o=-0.41,f=-1.2) USER MOD Single : A 68 CYS SG : rot 180:sc= -1.41 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot -99:sc= 1.05 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl 161:sc= -0.309 (180deg=-1.31) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl -149:sc= -0.675 (180deg=-3.44!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0.662 USER MOD Single : A 99 THR OG1 : rot 180:sc=-0.00322 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 104 ASN : amide:sc= -0.23 K(o=-0.23,f=-1.1!) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot -9:sc= 0.749! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.110 27.535 -16.466 1.00 0.00 N ATOM 2 CA GLY A 1 -17.829 27.981 -16.986 1.00 0.00 C ATOM 3 C GLY A 1 -17.552 27.370 -18.361 1.00 0.00 C ATOM 4 O GLY A 1 -17.883 27.964 -19.387 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.274 27.964 -15.533 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.868 27.823 -17.117 1.00 0.00 H new ATOM 0 H3 GLY A 1 -19.106 26.499 -16.375 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.821 29.069 -17.059 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.035 27.702 -16.294 1.00 0.00 H new ATOM 8 N SER A 2 -16.950 26.190 -18.339 1.00 0.00 N ATOM 9 CA SER A 2 -16.625 25.492 -19.572 1.00 0.00 C ATOM 10 C SER A 2 -16.854 23.989 -19.397 1.00 0.00 C ATOM 11 O SER A 2 -17.641 23.389 -20.127 1.00 0.00 O ATOM 12 CB SER A 2 -15.180 25.764 -19.995 1.00 0.00 C ATOM 13 OG SER A 2 -15.095 26.801 -20.968 1.00 0.00 O ATOM 0 H SER A 2 -16.679 25.699 -17.487 1.00 0.00 H new ATOM 0 HA SER A 2 -17.281 25.864 -20.359 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.592 26.039 -19.120 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.743 24.851 -20.399 1.00 0.00 H new ATOM 0 HG SER A 2 -14.157 26.946 -21.211 1.00 0.00 H new ATOM 19 N SER A 3 -16.151 23.425 -18.426 1.00 0.00 N ATOM 20 CA SER A 3 -16.268 22.004 -18.147 1.00 0.00 C ATOM 21 C SER A 3 -15.760 21.193 -19.340 1.00 0.00 C ATOM 22 O SER A 3 -15.746 21.684 -20.468 1.00 0.00 O ATOM 23 CB SER A 3 -17.714 21.623 -17.823 1.00 0.00 C ATOM 24 OG SER A 3 -17.834 21.038 -16.529 1.00 0.00 O ATOM 0 H SER A 3 -15.499 23.926 -17.823 1.00 0.00 H new ATOM 0 HA SER A 3 -15.657 21.776 -17.274 1.00 0.00 H new ATOM 0 HB2 SER A 3 -18.344 22.510 -17.880 1.00 0.00 H new ATOM 0 HB3 SER A 3 -18.081 20.923 -18.573 1.00 0.00 H new ATOM 0 HG SER A 3 -18.772 20.810 -16.359 1.00 0.00 H new ATOM 30 N GLY A 4 -15.355 19.964 -19.051 1.00 0.00 N ATOM 31 CA GLY A 4 -14.848 19.080 -20.087 1.00 0.00 C ATOM 32 C GLY A 4 -13.527 18.437 -19.660 1.00 0.00 C ATOM 33 O GLY A 4 -13.468 17.233 -19.419 1.00 0.00 O ATOM 0 H GLY A 4 -15.368 19.560 -18.114 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -15.583 18.303 -20.299 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.702 19.641 -21.010 1.00 0.00 H new ATOM 37 N SER A 5 -12.499 19.270 -19.579 1.00 0.00 N ATOM 38 CA SER A 5 -11.183 18.798 -19.186 1.00 0.00 C ATOM 39 C SER A 5 -10.837 19.316 -17.788 1.00 0.00 C ATOM 40 O SER A 5 -10.626 18.531 -16.866 1.00 0.00 O ATOM 41 CB SER A 5 -10.117 19.235 -20.193 1.00 0.00 C ATOM 42 OG SER A 5 -10.517 18.982 -21.537 1.00 0.00 O ATOM 0 H SER A 5 -12.552 20.269 -19.779 1.00 0.00 H new ATOM 0 HA SER A 5 -11.202 17.708 -19.168 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.915 20.299 -20.069 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.185 18.708 -19.987 1.00 0.00 H new ATOM 0 HG SER A 5 -9.811 19.276 -22.149 1.00 0.00 H new ATOM 48 N SER A 6 -10.790 20.636 -17.676 1.00 0.00 N ATOM 49 CA SER A 6 -10.473 21.268 -16.407 1.00 0.00 C ATOM 50 C SER A 6 -9.045 20.913 -15.987 1.00 0.00 C ATOM 51 O SER A 6 -8.513 19.881 -16.394 1.00 0.00 O ATOM 52 CB SER A 6 -11.466 20.850 -15.320 1.00 0.00 C ATOM 53 OG SER A 6 -11.463 21.753 -14.219 1.00 0.00 O ATOM 0 H SER A 6 -10.966 21.284 -18.443 1.00 0.00 H new ATOM 0 HA SER A 6 -10.549 22.348 -16.535 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.469 20.800 -15.745 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.218 19.849 -14.968 1.00 0.00 H new ATOM 0 HG SER A 6 -12.111 21.453 -13.548 1.00 0.00 H new ATOM 59 N GLY A 7 -8.466 21.788 -15.178 1.00 0.00 N ATOM 60 CA GLY A 7 -7.110 21.579 -14.699 1.00 0.00 C ATOM 61 C GLY A 7 -6.154 22.617 -15.290 1.00 0.00 C ATOM 62 O GLY A 7 -6.162 22.858 -16.496 1.00 0.00 O ATOM 0 H GLY A 7 -8.911 22.642 -14.842 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -7.091 21.640 -13.611 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.776 20.577 -14.968 1.00 0.00 H new ATOM 66 N SER A 8 -5.353 23.204 -14.413 1.00 0.00 N ATOM 67 CA SER A 8 -4.393 24.211 -14.833 1.00 0.00 C ATOM 68 C SER A 8 -2.969 23.723 -14.557 1.00 0.00 C ATOM 69 O SER A 8 -2.053 24.000 -15.330 1.00 0.00 O ATOM 70 CB SER A 8 -4.645 25.542 -14.123 1.00 0.00 C ATOM 71 OG SER A 8 -4.757 26.625 -15.043 1.00 0.00 O ATOM 0 H SER A 8 -5.349 23.002 -13.413 1.00 0.00 H new ATOM 0 HA SER A 8 -4.514 24.373 -15.904 1.00 0.00 H new ATOM 0 HB2 SER A 8 -5.559 25.471 -13.533 1.00 0.00 H new ATOM 0 HB3 SER A 8 -3.831 25.741 -13.426 1.00 0.00 H new ATOM 0 HG SER A 8 -4.919 27.457 -14.551 1.00 0.00 H new ATOM 77 N ALA A 9 -2.827 23.006 -13.451 1.00 0.00 N ATOM 78 CA ALA A 9 -1.530 22.478 -13.064 1.00 0.00 C ATOM 79 C ALA A 9 -1.666 21.729 -11.736 1.00 0.00 C ATOM 80 O ALA A 9 -2.006 22.324 -10.715 1.00 0.00 O ATOM 81 CB ALA A 9 -0.515 23.620 -12.987 1.00 0.00 C ATOM 0 H ALA A 9 -3.588 22.779 -12.811 1.00 0.00 H new ATOM 0 HA ALA A 9 -1.167 21.769 -13.808 1.00 0.00 H new ATOM 0 HB1 ALA A 9 0.458 23.223 -12.697 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -0.434 24.101 -13.962 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -0.844 24.350 -12.248 1.00 0.00 H new ATOM 87 N SER A 10 -1.393 20.433 -11.794 1.00 0.00 N ATOM 88 CA SER A 10 -1.480 19.597 -10.609 1.00 0.00 C ATOM 89 C SER A 10 -0.876 18.220 -10.895 1.00 0.00 C ATOM 90 O SER A 10 -0.803 17.798 -12.048 1.00 0.00 O ATOM 91 CB SER A 10 -2.930 19.453 -10.142 1.00 0.00 C ATOM 92 OG SER A 10 -3.669 18.552 -10.962 1.00 0.00 O ATOM 0 H SER A 10 -1.112 19.942 -12.643 1.00 0.00 H new ATOM 0 HA SER A 10 -0.915 20.076 -9.810 1.00 0.00 H new ATOM 0 HB2 SER A 10 -2.945 19.100 -9.111 1.00 0.00 H new ATOM 0 HB3 SER A 10 -3.412 20.430 -10.151 1.00 0.00 H new ATOM 0 HG SER A 10 -4.589 18.487 -10.630 1.00 0.00 H new ATOM 98 N LYS A 11 -0.459 17.559 -9.826 1.00 0.00 N ATOM 99 CA LYS A 11 0.136 16.239 -9.947 1.00 0.00 C ATOM 100 C LYS A 11 -0.697 15.396 -10.915 1.00 0.00 C ATOM 101 O LYS A 11 -1.892 15.197 -10.702 1.00 0.00 O ATOM 102 CB LYS A 11 0.308 15.600 -8.568 1.00 0.00 C ATOM 103 CG LYS A 11 1.673 15.948 -7.969 1.00 0.00 C ATOM 104 CD LYS A 11 1.892 15.217 -6.643 1.00 0.00 C ATOM 105 CE LYS A 11 1.753 16.176 -5.459 1.00 0.00 C ATOM 106 NZ LYS A 11 0.532 15.868 -4.682 1.00 0.00 N ATOM 0 H LYS A 11 -0.521 17.913 -8.871 1.00 0.00 H new ATOM 0 HA LYS A 11 1.139 16.311 -10.367 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.484 15.944 -7.902 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.208 14.518 -8.650 1.00 0.00 H new ATOM 0 HG2 LYS A 11 2.462 15.679 -8.671 1.00 0.00 H new ATOM 0 HG3 LYS A 11 1.741 17.024 -7.811 1.00 0.00 H new ATOM 0 HD2 LYS A 11 1.169 14.407 -6.546 1.00 0.00 H new ATOM 0 HD3 LYS A 11 2.883 14.763 -6.633 1.00 0.00 H new ATOM 0 HE2 LYS A 11 2.630 16.098 -4.816 1.00 0.00 H new ATOM 0 HE3 LYS A 11 1.712 17.204 -5.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 0.454 16.528 -3.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -0.303 15.965 -5.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 0.586 14.894 -4.322 1.00 0.00 H new ATOM 120 N ARG A 12 -0.032 14.923 -11.959 1.00 0.00 N ATOM 121 CA ARG A 12 -0.695 14.106 -12.961 1.00 0.00 C ATOM 122 C ARG A 12 -0.755 12.648 -12.502 1.00 0.00 C ATOM 123 O ARG A 12 0.157 12.166 -11.832 1.00 0.00 O ATOM 124 CB ARG A 12 0.033 14.182 -14.304 1.00 0.00 C ATOM 125 CG ARG A 12 -0.960 14.172 -15.468 1.00 0.00 C ATOM 126 CD ARG A 12 -0.337 14.784 -16.725 1.00 0.00 C ATOM 127 NE ARG A 12 -0.327 16.260 -16.618 1.00 0.00 N ATOM 128 CZ ARG A 12 -1.419 17.029 -16.731 1.00 0.00 C ATOM 129 NH1 ARG A 12 -2.614 16.466 -16.955 1.00 0.00 N ATOM 130 NH2 ARG A 12 -1.315 18.360 -16.620 1.00 0.00 N ATOM 0 H ARG A 12 0.959 15.090 -12.133 1.00 0.00 H new ATOM 0 HA ARG A 12 -1.706 14.492 -13.087 1.00 0.00 H new ATOM 0 HB2 ARG A 12 0.636 15.089 -14.344 1.00 0.00 H new ATOM 0 HB3 ARG A 12 0.718 13.339 -14.399 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -1.274 13.149 -15.674 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -1.855 14.730 -15.192 1.00 0.00 H new ATOM 0 HD2 ARG A 12 0.680 14.414 -16.854 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -0.901 14.479 -17.606 1.00 0.00 H new ATOM 0 HE ARG A 12 0.567 16.721 -16.448 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -2.693 15.453 -17.039 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -3.445 17.051 -17.041 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -0.405 18.788 -16.450 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -2.146 18.945 -16.706 1.00 0.00 H new ATOM 144 N TRP A 13 -1.837 11.985 -12.882 1.00 0.00 N ATOM 145 CA TRP A 13 -2.028 10.591 -12.518 1.00 0.00 C ATOM 146 C TRP A 13 -2.394 9.817 -13.786 1.00 0.00 C ATOM 147 O TRP A 13 -3.176 10.296 -14.606 1.00 0.00 O ATOM 148 CB TRP A 13 -3.073 10.452 -11.409 1.00 0.00 C ATOM 149 CG TRP A 13 -2.696 11.159 -10.106 1.00 0.00 C ATOM 150 CD1 TRP A 13 -2.693 12.475 -9.852 1.00 0.00 C ATOM 151 CD2 TRP A 13 -2.264 10.530 -8.881 1.00 0.00 C ATOM 152 NE1 TRP A 13 -2.292 12.739 -8.559 1.00 0.00 N ATOM 153 CE2 TRP A 13 -2.023 11.519 -7.949 1.00 0.00 C ATOM 154 CE3 TRP A 13 -2.083 9.171 -8.570 1.00 0.00 C ATOM 155 CZ2 TRP A 13 -1.588 11.254 -6.645 1.00 0.00 C ATOM 156 CZ3 TRP A 13 -1.648 8.923 -7.263 1.00 0.00 C ATOM 157 CH2 TRP A 13 -1.401 9.907 -6.313 1.00 0.00 C ATOM 0 H TRP A 13 -2.591 12.387 -13.439 1.00 0.00 H new ATOM 0 HA TRP A 13 -1.110 10.170 -12.107 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -4.022 10.852 -11.766 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -3.231 9.393 -11.203 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -2.970 13.233 -10.570 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -2.208 13.660 -8.129 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -2.265 8.381 -9.283 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -1.406 12.046 -5.934 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -1.493 7.894 -6.972 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -1.066 9.634 -5.323 1.00 0.00 H new ATOM 168 N SER A 14 -1.812 8.633 -13.907 1.00 0.00 N ATOM 169 CA SER A 14 -2.068 7.788 -15.061 1.00 0.00 C ATOM 170 C SER A 14 -3.441 7.126 -14.931 1.00 0.00 C ATOM 171 O SER A 14 -4.143 7.334 -13.943 1.00 0.00 O ATOM 172 CB SER A 14 -0.979 6.724 -15.217 1.00 0.00 C ATOM 173 OG SER A 14 -0.372 6.767 -16.505 1.00 0.00 O ATOM 0 H SER A 14 -1.164 8.239 -13.225 1.00 0.00 H new ATOM 0 HA SER A 14 -2.057 8.415 -15.953 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.217 6.870 -14.452 1.00 0.00 H new ATOM 0 HB3 SER A 14 -1.410 5.737 -15.052 1.00 0.00 H new ATOM 0 HG SER A 14 0.319 6.074 -16.565 1.00 0.00 H new ATOM 179 N PRO A 15 -3.793 6.323 -15.971 1.00 0.00 N ATOM 180 CA PRO A 15 -5.070 5.630 -15.982 1.00 0.00 C ATOM 181 C PRO A 15 -5.056 4.439 -15.022 1.00 0.00 C ATOM 182 O PRO A 15 -4.017 3.813 -14.818 1.00 0.00 O ATOM 183 CB PRO A 15 -5.283 5.222 -17.431 1.00 0.00 C ATOM 184 CG PRO A 15 -3.914 5.289 -18.088 1.00 0.00 C ATOM 185 CD PRO A 15 -2.987 6.054 -17.158 1.00 0.00 C ATOM 0 HA PRO A 15 -5.891 6.256 -15.633 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -5.699 4.217 -17.497 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -5.987 5.891 -17.926 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -3.529 4.286 -18.270 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -3.979 5.786 -19.056 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -2.102 5.468 -16.911 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.639 6.979 -17.618 1.00 0.00 H new ATOM 193 N PRO A 16 -6.253 4.155 -14.441 1.00 0.00 N ATOM 194 CA PRO A 16 -6.388 3.051 -13.506 1.00 0.00 C ATOM 195 C PRO A 16 -6.387 1.709 -14.240 1.00 0.00 C ATOM 196 O PRO A 16 -7.108 1.532 -15.221 1.00 0.00 O ATOM 197 CB PRO A 16 -7.687 3.321 -12.764 1.00 0.00 C ATOM 198 CG PRO A 16 -8.462 4.306 -13.624 1.00 0.00 C ATOM 199 CD PRO A 16 -7.504 4.876 -14.658 1.00 0.00 C ATOM 0 HA PRO A 16 -5.553 2.985 -12.809 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -8.252 2.400 -12.619 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -7.493 3.735 -11.775 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -9.300 3.809 -14.113 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -8.879 5.104 -13.009 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -7.878 4.724 -15.671 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -7.371 5.950 -14.525 1.00 0.00 H new ATOM 207 N ARG A 17 -5.568 0.796 -13.737 1.00 0.00 N ATOM 208 CA ARG A 17 -5.463 -0.525 -14.333 1.00 0.00 C ATOM 209 C ARG A 17 -6.453 -1.486 -13.670 1.00 0.00 C ATOM 210 O ARG A 17 -6.936 -1.224 -12.570 1.00 0.00 O ATOM 211 CB ARG A 17 -4.046 -1.084 -14.188 1.00 0.00 C ATOM 212 CG ARG A 17 -3.628 -1.143 -12.717 1.00 0.00 C ATOM 213 CD ARG A 17 -2.491 -2.145 -12.511 1.00 0.00 C ATOM 214 NE ARG A 17 -1.212 -1.426 -12.315 1.00 0.00 N ATOM 215 CZ ARG A 17 -0.470 -0.928 -13.313 1.00 0.00 C ATOM 216 NH1 ARG A 17 -0.874 -1.069 -14.583 1.00 0.00 N ATOM 217 NH2 ARG A 17 0.677 -0.290 -13.042 1.00 0.00 N ATOM 0 H ARG A 17 -4.971 0.945 -12.923 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.697 -0.430 -15.393 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -3.999 -2.082 -14.624 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -3.346 -0.460 -14.744 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -3.311 -0.154 -12.385 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -4.483 -1.426 -12.103 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -2.701 -2.773 -11.645 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -2.417 -2.806 -13.374 1.00 0.00 H new ATOM 0 HE ARG A 17 -0.875 -1.302 -11.360 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -1.746 -1.555 -14.790 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -0.309 -0.690 -15.343 1.00 0.00 H new ATOM 0 HH21 ARG A 17 0.985 -0.183 -12.076 1.00 0.00 H new ATOM 0 HH22 ARG A 17 1.242 0.089 -13.802 1.00 0.00 H new ATOM 231 N GLY A 18 -6.726 -2.578 -14.369 1.00 0.00 N ATOM 232 CA GLY A 18 -7.650 -3.579 -13.863 1.00 0.00 C ATOM 233 C GLY A 18 -6.905 -4.841 -13.425 1.00 0.00 C ATOM 234 O GLY A 18 -6.450 -5.620 -14.262 1.00 0.00 O ATOM 0 H GLY A 18 -6.324 -2.792 -15.282 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -8.208 -3.171 -13.020 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -8.377 -3.831 -14.635 1.00 0.00 H new ATOM 238 N ILE A 19 -6.802 -5.005 -12.114 1.00 0.00 N ATOM 239 CA ILE A 19 -6.119 -6.159 -11.556 1.00 0.00 C ATOM 240 C ILE A 19 -7.155 -7.202 -11.130 1.00 0.00 C ATOM 241 O ILE A 19 -8.285 -6.856 -10.790 1.00 0.00 O ATOM 242 CB ILE A 19 -5.179 -5.731 -10.427 1.00 0.00 C ATOM 243 CG1 ILE A 19 -4.463 -4.424 -10.776 1.00 0.00 C ATOM 244 CG2 ILE A 19 -4.194 -6.849 -10.081 1.00 0.00 C ATOM 245 CD1 ILE A 19 -3.346 -4.127 -9.774 1.00 0.00 C ATOM 0 H ILE A 19 -7.180 -4.358 -11.422 1.00 0.00 H new ATOM 0 HA ILE A 19 -5.484 -6.627 -12.309 1.00 0.00 H new ATOM 0 HB ILE A 19 -5.778 -5.542 -9.536 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -4.047 -4.490 -11.781 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.180 -3.603 -10.781 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.537 -6.519 -9.276 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.745 -7.733 -9.761 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.597 -7.092 -10.960 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.853 -3.193 -10.045 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.769 -4.037 -8.773 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.619 -4.939 -9.789 1.00 0.00 H new ATOM 257 N HIS A 20 -6.732 -8.457 -11.165 1.00 0.00 N ATOM 258 CA HIS A 20 -7.609 -9.553 -10.787 1.00 0.00 C ATOM 259 C HIS A 20 -6.817 -10.593 -9.993 1.00 0.00 C ATOM 260 O HIS A 20 -5.954 -11.275 -10.544 1.00 0.00 O ATOM 261 CB HIS A 20 -8.299 -10.145 -12.018 1.00 0.00 C ATOM 262 CG HIS A 20 -7.528 -9.960 -13.303 1.00 0.00 C ATOM 263 ND1 HIS A 20 -7.995 -9.189 -14.353 1.00 0.00 N ATOM 264 CD2 HIS A 20 -6.318 -10.453 -13.695 1.00 0.00 C ATOM 265 CE1 HIS A 20 -7.099 -9.224 -15.328 1.00 0.00 C ATOM 266 NE2 HIS A 20 -6.061 -10.008 -14.919 1.00 0.00 N ATOM 0 H HIS A 20 -5.794 -8.740 -11.449 1.00 0.00 H new ATOM 0 HA HIS A 20 -8.404 -9.182 -10.140 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -8.461 -11.210 -11.854 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -9.282 -9.686 -12.127 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -5.678 -11.096 -13.109 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -7.177 -8.720 -16.280 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -5.225 -10.218 -15.464 1.00 0.00 H new ATOM 274 N PHE A 21 -7.139 -10.683 -8.711 1.00 0.00 N ATOM 275 CA PHE A 21 -6.469 -11.629 -7.835 1.00 0.00 C ATOM 276 C PHE A 21 -7.339 -11.965 -6.622 1.00 0.00 C ATOM 277 O PHE A 21 -8.426 -11.412 -6.461 1.00 0.00 O ATOM 278 CB PHE A 21 -5.181 -10.957 -7.353 1.00 0.00 C ATOM 279 CG PHE A 21 -5.407 -9.836 -6.337 1.00 0.00 C ATOM 280 CD1 PHE A 21 -5.430 -10.119 -5.007 1.00 0.00 C ATOM 281 CD2 PHE A 21 -5.585 -8.557 -6.763 1.00 0.00 C ATOM 282 CE1 PHE A 21 -5.640 -9.078 -4.063 1.00 0.00 C ATOM 283 CE2 PHE A 21 -5.794 -7.516 -5.820 1.00 0.00 C ATOM 284 CZ PHE A 21 -5.817 -7.799 -4.490 1.00 0.00 C ATOM 0 H PHE A 21 -7.855 -10.116 -8.258 1.00 0.00 H new ATOM 0 HA PHE A 21 -6.269 -12.556 -8.372 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -4.534 -11.712 -6.907 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -4.651 -10.551 -8.214 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -5.289 -11.135 -4.668 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -5.567 -8.333 -7.819 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -5.659 -9.302 -3.007 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -5.935 -6.500 -6.159 1.00 0.00 H new ATOM 0 HZ PHE A 21 -5.976 -7.008 -3.772 1.00 0.00 H new ATOM 294 N THR A 22 -6.829 -12.871 -5.801 1.00 0.00 N ATOM 295 CA THR A 22 -7.546 -13.288 -4.608 1.00 0.00 C ATOM 296 C THR A 22 -6.786 -12.858 -3.351 1.00 0.00 C ATOM 297 O THR A 22 -5.693 -13.353 -3.083 1.00 0.00 O ATOM 298 CB THR A 22 -7.771 -14.798 -4.695 1.00 0.00 C ATOM 299 OG1 THR A 22 -8.968 -14.928 -5.457 1.00 0.00 O ATOM 300 CG2 THR A 22 -8.123 -15.417 -3.341 1.00 0.00 C ATOM 0 H THR A 22 -5.928 -13.328 -5.938 1.00 0.00 H new ATOM 0 HA THR A 22 -8.520 -12.803 -4.543 1.00 0.00 H new ATOM 0 HB THR A 22 -6.875 -15.275 -5.090 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.187 -15.877 -5.563 1.00 0.00 H new ATOM 0 HG21 THR A 22 -8.272 -16.490 -3.459 1.00 0.00 H new ATOM 0 HG22 THR A 22 -7.310 -15.239 -2.637 1.00 0.00 H new ATOM 0 HG23 THR A 22 -9.038 -14.963 -2.960 1.00 0.00 H new ATOM 308 N VAL A 23 -7.396 -11.941 -2.615 1.00 0.00 N ATOM 309 CA VAL A 23 -6.791 -11.439 -1.393 1.00 0.00 C ATOM 310 C VAL A 23 -6.294 -12.618 -0.553 1.00 0.00 C ATOM 311 O VAL A 23 -6.667 -13.763 -0.803 1.00 0.00 O ATOM 312 CB VAL A 23 -7.784 -10.549 -0.644 1.00 0.00 C ATOM 313 CG1 VAL A 23 -7.343 -10.332 0.805 1.00 0.00 C ATOM 314 CG2 VAL A 23 -7.974 -9.212 -1.365 1.00 0.00 C ATOM 0 H VAL A 23 -8.303 -11.533 -2.841 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.927 -10.816 -1.623 1.00 0.00 H new ATOM 0 HB VAL A 23 -8.746 -11.061 -0.628 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -8.067 -9.696 1.314 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -7.283 -11.293 1.315 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.365 -9.852 0.820 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -8.685 -8.598 -0.812 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -7.018 -8.693 -1.427 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.355 -9.392 -2.370 1.00 0.00 H new ATOM 324 N GLU A 24 -5.460 -12.296 0.425 1.00 0.00 N ATOM 325 CA GLU A 24 -4.908 -13.315 1.303 1.00 0.00 C ATOM 326 C GLU A 24 -5.107 -12.918 2.767 1.00 0.00 C ATOM 327 O GLU A 24 -4.194 -12.388 3.399 1.00 0.00 O ATOM 328 CB GLU A 24 -3.429 -13.559 0.997 1.00 0.00 C ATOM 329 CG GLU A 24 -3.253 -14.203 -0.380 1.00 0.00 C ATOM 330 CD GLU A 24 -2.377 -15.454 -0.292 1.00 0.00 C ATOM 331 OE1 GLU A 24 -1.140 -15.279 -0.242 1.00 0.00 O ATOM 332 OE2 GLU A 24 -2.963 -16.558 -0.278 1.00 0.00 O ATOM 0 H GLU A 24 -5.153 -11.345 0.629 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.441 -14.249 1.125 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.886 -12.615 1.033 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -2.997 -14.204 1.762 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.228 -14.466 -0.790 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -2.802 -13.486 -1.066 1.00 0.00 H new ATOM 339 N GLU A 25 -6.305 -13.188 3.263 1.00 0.00 N ATOM 340 CA GLU A 25 -6.636 -12.866 4.640 1.00 0.00 C ATOM 341 C GLU A 25 -5.856 -13.769 5.598 1.00 0.00 C ATOM 342 O GLU A 25 -6.450 -14.534 6.358 1.00 0.00 O ATOM 343 CB GLU A 25 -8.142 -12.978 4.884 1.00 0.00 C ATOM 344 CG GLU A 25 -8.702 -14.264 4.272 1.00 0.00 C ATOM 345 CD GLU A 25 -9.747 -14.899 5.192 1.00 0.00 C ATOM 346 OE1 GLU A 25 -10.769 -14.224 5.441 1.00 0.00 O ATOM 347 OE2 GLU A 25 -9.500 -16.045 5.625 1.00 0.00 O ATOM 0 H GLU A 25 -7.059 -13.627 2.735 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.348 -11.832 4.830 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -8.343 -12.963 5.955 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.649 -12.115 4.453 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.151 -14.045 3.303 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -7.891 -14.970 4.095 1.00 0.00 H new ATOM 354 N GLY A 26 -4.538 -13.651 5.531 1.00 0.00 N ATOM 355 CA GLY A 26 -3.671 -14.448 6.383 1.00 0.00 C ATOM 356 C GLY A 26 -2.204 -14.059 6.189 1.00 0.00 C ATOM 357 O GLY A 26 -1.436 -14.022 7.149 1.00 0.00 O ATOM 0 H GLY A 26 -4.049 -13.016 4.900 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.953 -14.309 7.427 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.804 -15.506 6.155 1.00 0.00 H new ATOM 361 N ASP A 27 -1.860 -13.779 4.941 1.00 0.00 N ATOM 362 CA ASP A 27 -0.498 -13.395 4.609 1.00 0.00 C ATOM 363 C ASP A 27 -0.496 -12.648 3.274 1.00 0.00 C ATOM 364 O ASP A 27 -0.654 -13.257 2.217 1.00 0.00 O ATOM 365 CB ASP A 27 0.401 -14.624 4.464 1.00 0.00 C ATOM 366 CG ASP A 27 1.890 -14.368 4.708 1.00 0.00 C ATOM 367 OD1 ASP A 27 2.272 -13.178 4.686 1.00 0.00 O ATOM 368 OD2 ASP A 27 2.612 -15.368 4.912 1.00 0.00 O ATOM 0 H ASP A 27 -2.500 -13.810 4.147 1.00 0.00 H new ATOM 0 HA ASP A 27 -0.119 -12.764 5.413 1.00 0.00 H new ATOM 0 HB2 ASP A 27 0.060 -15.389 5.161 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.277 -15.030 3.460 1.00 0.00 H new ATOM 373 N LEU A 28 -0.313 -11.338 3.365 1.00 0.00 N ATOM 374 CA LEU A 28 -0.287 -10.501 2.178 1.00 0.00 C ATOM 375 C LEU A 28 1.161 -10.319 1.719 1.00 0.00 C ATOM 376 O LEU A 28 2.072 -10.245 2.542 1.00 0.00 O ATOM 377 CB LEU A 28 -1.021 -9.184 2.435 1.00 0.00 C ATOM 378 CG LEU A 28 -2.529 -9.291 2.673 1.00 0.00 C ATOM 379 CD1 LEU A 28 -3.115 -7.943 3.095 1.00 0.00 C ATOM 380 CD2 LEU A 28 -3.239 -9.866 1.446 1.00 0.00 C ATOM 0 H LEU A 28 -0.181 -10.836 4.243 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.823 -10.983 1.360 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.570 -8.703 3.303 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.854 -8.526 1.583 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.696 -9.986 3.496 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.188 -8.047 3.258 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.639 -7.612 4.018 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.937 -7.207 2.311 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.309 -9.931 1.642 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.066 -9.216 0.588 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.848 -10.861 1.232 1.00 0.00 H new ATOM 392 N GLY A 29 1.328 -10.253 0.406 1.00 0.00 N ATOM 393 CA GLY A 29 2.650 -10.081 -0.172 1.00 0.00 C ATOM 394 C GLY A 29 2.951 -8.602 -0.421 1.00 0.00 C ATOM 395 O GLY A 29 3.739 -8.265 -1.303 1.00 0.00 O ATOM 0 H GLY A 29 0.570 -10.316 -0.274 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.401 -10.501 0.497 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.715 -10.632 -1.110 1.00 0.00 H new ATOM 399 N PHE A 30 2.308 -7.758 0.373 1.00 0.00 N ATOM 400 CA PHE A 30 2.497 -6.323 0.251 1.00 0.00 C ATOM 401 C PHE A 30 1.823 -5.580 1.406 1.00 0.00 C ATOM 402 O PHE A 30 1.015 -6.157 2.132 1.00 0.00 O ATOM 403 CB PHE A 30 1.843 -5.896 -1.065 1.00 0.00 C ATOM 404 CG PHE A 30 0.324 -6.078 -1.092 1.00 0.00 C ATOM 405 CD1 PHE A 30 -0.487 -5.094 -0.619 1.00 0.00 C ATOM 406 CD2 PHE A 30 -0.215 -7.223 -1.589 1.00 0.00 C ATOM 407 CE1 PHE A 30 -1.897 -5.262 -0.644 1.00 0.00 C ATOM 408 CE2 PHE A 30 -1.625 -7.392 -1.614 1.00 0.00 C ATOM 409 CZ PHE A 30 -2.436 -6.408 -1.141 1.00 0.00 C ATOM 0 H PHE A 30 1.655 -8.041 1.104 1.00 0.00 H new ATOM 0 HA PHE A 30 3.560 -6.085 0.273 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.077 -4.848 -1.252 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.282 -6.471 -1.880 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -0.059 -4.185 -0.224 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.429 -8.004 -1.965 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.541 -4.480 -0.269 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.053 -8.302 -2.009 1.00 0.00 H new ATOM 0 HZ PHE A 30 -3.508 -6.536 -1.160 1.00 0.00 H new ATOM 419 N THR A 31 2.182 -4.312 1.541 1.00 0.00 N ATOM 420 CA THR A 31 1.622 -3.484 2.596 1.00 0.00 C ATOM 421 C THR A 31 1.172 -2.135 2.034 1.00 0.00 C ATOM 422 O THR A 31 1.359 -1.858 0.850 1.00 0.00 O ATOM 423 CB THR A 31 2.668 -3.361 3.706 1.00 0.00 C ATOM 424 OG1 THR A 31 2.505 -2.031 4.191 1.00 0.00 O ATOM 425 CG2 THR A 31 4.100 -3.388 3.167 1.00 0.00 C ATOM 0 H THR A 31 2.854 -3.838 0.938 1.00 0.00 H new ATOM 0 HA THR A 31 0.727 -3.938 3.021 1.00 0.00 H new ATOM 0 HB THR A 31 2.534 -4.172 4.422 1.00 0.00 H new ATOM 0 HG1 THR A 31 3.144 -1.866 4.915 1.00 0.00 H new ATOM 0 HG21 THR A 31 4.802 -3.297 3.996 1.00 0.00 H new ATOM 0 HG22 THR A 31 4.274 -4.329 2.645 1.00 0.00 H new ATOM 0 HG23 THR A 31 4.245 -2.557 2.476 1.00 0.00 H new ATOM 433 N LEU A 32 0.587 -1.330 2.909 1.00 0.00 N ATOM 434 CA LEU A 32 0.108 -0.016 2.514 1.00 0.00 C ATOM 435 C LEU A 32 0.843 1.054 3.323 1.00 0.00 C ATOM 436 O LEU A 32 0.722 1.105 4.546 1.00 0.00 O ATOM 437 CB LEU A 32 -1.415 0.058 2.637 1.00 0.00 C ATOM 438 CG LEU A 32 -2.198 -1.077 1.974 1.00 0.00 C ATOM 439 CD1 LEU A 32 -3.686 -0.992 2.320 1.00 0.00 C ATOM 440 CD2 LEU A 32 -1.961 -1.097 0.463 1.00 0.00 C ATOM 0 H LEU A 32 0.434 -1.562 3.890 1.00 0.00 H new ATOM 0 HA LEU A 32 0.329 0.170 1.463 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.673 0.081 3.696 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.749 1.002 2.207 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.829 -2.023 2.370 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.219 -1.810 1.836 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.813 -1.065 3.400 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.087 -0.041 1.971 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.529 -1.913 0.016 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.285 -0.150 0.031 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.899 -1.242 0.263 1.00 0.00 H new ATOM 452 N ARG A 33 1.589 1.883 2.608 1.00 0.00 N ATOM 453 CA ARG A 33 2.344 2.949 3.244 1.00 0.00 C ATOM 454 C ARG A 33 1.805 4.313 2.809 1.00 0.00 C ATOM 455 O ARG A 33 1.225 4.441 1.732 1.00 0.00 O ATOM 456 CB ARG A 33 3.830 2.858 2.890 1.00 0.00 C ATOM 457 CG ARG A 33 4.415 1.511 3.318 1.00 0.00 C ATOM 458 CD ARG A 33 5.687 1.703 4.145 1.00 0.00 C ATOM 459 NE ARG A 33 6.796 2.148 3.272 1.00 0.00 N ATOM 460 CZ ARG A 33 8.030 2.434 3.711 1.00 0.00 C ATOM 461 NH1 ARG A 33 8.320 2.322 5.014 1.00 0.00 N ATOM 462 NH2 ARG A 33 8.973 2.830 2.846 1.00 0.00 N ATOM 0 H ARG A 33 1.687 1.838 1.594 1.00 0.00 H new ATOM 0 HA ARG A 33 2.232 2.838 4.322 1.00 0.00 H new ATOM 0 HB2 ARG A 33 3.960 2.990 1.816 1.00 0.00 H new ATOM 0 HB3 ARG A 33 4.374 3.666 3.379 1.00 0.00 H new ATOM 0 HG2 ARG A 33 3.678 0.959 3.901 1.00 0.00 H new ATOM 0 HG3 ARG A 33 4.638 0.911 2.436 1.00 0.00 H new ATOM 0 HD2 ARG A 33 5.513 2.439 4.929 1.00 0.00 H new ATOM 0 HD3 ARG A 33 5.954 0.769 4.639 1.00 0.00 H new ATOM 0 HE ARG A 33 6.610 2.243 2.274 1.00 0.00 H new ATOM 0 HH11 ARG A 33 7.602 2.019 5.672 1.00 0.00 H new ATOM 0 HH12 ARG A 33 9.259 2.540 5.348 1.00 0.00 H new ATOM 0 HH21 ARG A 33 8.752 2.914 1.854 1.00 0.00 H new ATOM 0 HH22 ARG A 33 9.912 3.048 3.180 1.00 0.00 H new ATOM 476 N GLY A 34 2.017 5.299 3.669 1.00 0.00 N ATOM 477 CA GLY A 34 1.560 6.649 3.387 1.00 0.00 C ATOM 478 C GLY A 34 0.182 6.901 4.003 1.00 0.00 C ATOM 479 O GLY A 34 -0.252 6.161 4.885 1.00 0.00 O ATOM 0 H GLY A 34 2.499 5.190 4.561 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.276 7.369 3.782 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.514 6.804 2.309 1.00 0.00 H new ATOM 483 N ASN A 35 -0.466 7.948 3.515 1.00 0.00 N ATOM 484 CA ASN A 35 -1.785 8.307 4.007 1.00 0.00 C ATOM 485 C ASN A 35 -2.832 7.960 2.946 1.00 0.00 C ATOM 486 O ASN A 35 -3.624 7.036 3.130 1.00 0.00 O ATOM 487 CB ASN A 35 -1.879 9.808 4.289 1.00 0.00 C ATOM 488 CG ASN A 35 -0.950 10.598 3.364 1.00 0.00 C ATOM 489 OD1 ASN A 35 0.240 10.347 3.275 1.00 0.00 O ATOM 490 ND2 ASN A 35 -1.560 11.565 2.683 1.00 0.00 N ATOM 0 H ASN A 35 -0.102 8.559 2.784 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.962 7.755 4.930 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -2.907 10.144 4.152 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.616 10.004 5.328 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -1.027 12.150 2.039 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -2.560 11.722 2.805 1.00 0.00 H new ATOM 497 N THR A 36 -2.802 8.718 1.860 1.00 0.00 N ATOM 498 CA THR A 36 -3.739 8.502 0.770 1.00 0.00 C ATOM 499 C THR A 36 -3.420 9.435 -0.399 1.00 0.00 C ATOM 500 O THR A 36 -3.085 10.600 -0.195 1.00 0.00 O ATOM 501 CB THR A 36 -5.155 8.680 1.322 1.00 0.00 C ATOM 502 OG1 THR A 36 -5.923 9.067 0.186 1.00 0.00 O ATOM 503 CG2 THR A 36 -5.267 9.873 2.272 1.00 0.00 C ATOM 0 H THR A 36 -2.144 9.483 1.711 1.00 0.00 H new ATOM 0 HA THR A 36 -3.656 7.491 0.370 1.00 0.00 H new ATOM 0 HB THR A 36 -5.459 7.772 1.843 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.383 8.283 -0.181 1.00 0.00 H new ATOM 0 HG21 THR A 36 -6.292 9.954 2.635 1.00 0.00 H new ATOM 0 HG22 THR A 36 -4.593 9.730 3.117 1.00 0.00 H new ATOM 0 HG23 THR A 36 -4.996 10.786 1.743 1.00 0.00 H new ATOM 511 N PRO A 37 -3.539 8.872 -1.632 1.00 0.00 N ATOM 512 CA PRO A 37 -3.942 7.484 -1.786 1.00 0.00 C ATOM 513 C PRO A 37 -2.795 6.538 -1.427 1.00 0.00 C ATOM 514 O PRO A 37 -1.667 6.724 -1.880 1.00 0.00 O ATOM 515 CB PRO A 37 -4.382 7.361 -3.235 1.00 0.00 C ATOM 516 CG PRO A 37 -3.777 8.553 -3.958 1.00 0.00 C ATOM 517 CD PRO A 37 -3.295 9.540 -2.907 1.00 0.00 C ATOM 0 HA PRO A 37 -4.752 7.203 -1.113 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -4.035 6.424 -3.670 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -5.469 7.367 -3.315 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -2.949 8.235 -4.591 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.516 9.020 -4.610 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -2.238 9.772 -3.037 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.838 10.483 -2.970 1.00 0.00 H new ATOM 525 N VAL A 38 -3.123 5.543 -0.616 1.00 0.00 N ATOM 526 CA VAL A 38 -2.134 4.567 -0.191 1.00 0.00 C ATOM 527 C VAL A 38 -1.434 3.988 -1.421 1.00 0.00 C ATOM 528 O VAL A 38 -1.919 4.133 -2.542 1.00 0.00 O ATOM 529 CB VAL A 38 -2.796 3.496 0.679 1.00 0.00 C ATOM 530 CG1 VAL A 38 -3.417 4.115 1.933 1.00 0.00 C ATOM 531 CG2 VAL A 38 -3.839 2.710 -0.118 1.00 0.00 C ATOM 0 H VAL A 38 -4.060 5.392 -0.242 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.370 5.041 0.425 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.022 2.798 0.998 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.881 3.332 2.534 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.641 4.609 2.517 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -4.172 4.845 1.642 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.294 1.955 0.523 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.609 3.391 -0.480 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.358 2.223 -0.966 1.00 0.00 H new ATOM 541 N GLN A 39 -0.303 3.343 -1.171 1.00 0.00 N ATOM 542 CA GLN A 39 0.469 2.742 -2.244 1.00 0.00 C ATOM 543 C GLN A 39 0.595 1.233 -2.026 1.00 0.00 C ATOM 544 O GLN A 39 -0.012 0.681 -1.109 1.00 0.00 O ATOM 545 CB GLN A 39 1.847 3.396 -2.361 1.00 0.00 C ATOM 546 CG GLN A 39 1.845 4.492 -3.429 1.00 0.00 C ATOM 547 CD GLN A 39 3.163 5.269 -3.420 1.00 0.00 C ATOM 548 OE1 GLN A 39 4.102 4.955 -4.133 1.00 0.00 O ATOM 549 NE2 GLN A 39 3.180 6.297 -2.576 1.00 0.00 N ATOM 0 H GLN A 39 0.097 3.224 -0.240 1.00 0.00 H new ATOM 0 HA GLN A 39 -0.058 2.911 -3.183 1.00 0.00 H new ATOM 0 HB2 GLN A 39 2.135 3.821 -1.399 1.00 0.00 H new ATOM 0 HB3 GLN A 39 2.592 2.641 -2.611 1.00 0.00 H new ATOM 0 HG2 GLN A 39 1.688 4.047 -4.412 1.00 0.00 H new ATOM 0 HG3 GLN A 39 1.015 5.176 -3.252 1.00 0.00 H new ATOM 0 HE21 GLN A 39 2.358 6.504 -2.008 1.00 0.00 H new ATOM 0 HE22 GLN A 39 4.015 6.878 -2.497 1.00 0.00 H new ATOM 558 N VAL A 40 1.387 0.607 -2.885 1.00 0.00 N ATOM 559 CA VAL A 40 1.601 -0.827 -2.798 1.00 0.00 C ATOM 560 C VAL A 40 3.101 -1.110 -2.696 1.00 0.00 C ATOM 561 O VAL A 40 3.835 -0.941 -3.669 1.00 0.00 O ATOM 562 CB VAL A 40 0.939 -1.528 -3.986 1.00 0.00 C ATOM 563 CG1 VAL A 40 1.250 -3.026 -3.982 1.00 0.00 C ATOM 564 CG2 VAL A 40 -0.570 -1.281 -3.998 1.00 0.00 C ATOM 0 H VAL A 40 1.888 1.067 -3.645 1.00 0.00 H new ATOM 0 HA VAL A 40 1.133 -1.229 -1.899 1.00 0.00 H new ATOM 0 HB VAL A 40 1.355 -1.102 -4.899 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.767 -3.500 -4.837 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.328 -3.174 -4.046 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.876 -3.473 -3.061 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.015 -1.790 -4.853 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.009 -1.665 -3.077 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.763 -0.211 -4.073 1.00 0.00 H new ATOM 574 N HIS A 41 3.512 -1.536 -1.511 1.00 0.00 N ATOM 575 CA HIS A 41 4.911 -1.843 -1.270 1.00 0.00 C ATOM 576 C HIS A 41 5.108 -3.360 -1.258 1.00 0.00 C ATOM 577 O HIS A 41 5.222 -3.967 -0.194 1.00 0.00 O ATOM 578 CB HIS A 41 5.402 -1.172 0.015 1.00 0.00 C ATOM 579 CG HIS A 41 6.901 -1.203 0.190 1.00 0.00 C ATOM 580 ND1 HIS A 41 7.729 -0.187 -0.253 1.00 0.00 N ATOM 581 CD2 HIS A 41 7.712 -2.138 0.765 1.00 0.00 C ATOM 582 CE1 HIS A 41 8.980 -0.506 0.046 1.00 0.00 C ATOM 583 NE2 HIS A 41 8.967 -1.716 0.677 1.00 0.00 N ATOM 0 H HIS A 41 2.900 -1.676 -0.707 1.00 0.00 H new ATOM 0 HA HIS A 41 5.520 -1.438 -2.078 1.00 0.00 H new ATOM 0 HB2 HIS A 41 5.067 -0.135 0.022 1.00 0.00 H new ATOM 0 HB3 HIS A 41 4.937 -1.663 0.870 1.00 0.00 H new ATOM 0 HD2 HIS A 41 7.387 -3.064 1.215 1.00 0.00 H new ATOM 0 HE1 HIS A 41 9.856 0.087 -0.171 1.00 0.00 H new ATOM 0 HE2 HIS A 41 9.787 -2.214 1.024 1.00 0.00 H new ATOM 591 N PHE A 42 5.142 -3.930 -2.454 1.00 0.00 N ATOM 592 CA PHE A 42 5.324 -5.364 -2.595 1.00 0.00 C ATOM 593 C PHE A 42 6.299 -5.900 -1.545 1.00 0.00 C ATOM 594 O PHE A 42 7.329 -5.282 -1.277 1.00 0.00 O ATOM 595 CB PHE A 42 5.909 -5.606 -3.988 1.00 0.00 C ATOM 596 CG PHE A 42 4.860 -5.687 -5.098 1.00 0.00 C ATOM 597 CD1 PHE A 42 3.724 -6.411 -4.910 1.00 0.00 C ATOM 598 CD2 PHE A 42 5.062 -5.034 -6.274 1.00 0.00 C ATOM 599 CE1 PHE A 42 2.750 -6.486 -5.940 1.00 0.00 C ATOM 600 CE2 PHE A 42 4.089 -5.109 -7.305 1.00 0.00 C ATOM 601 CZ PHE A 42 2.953 -5.834 -7.116 1.00 0.00 C ATOM 0 H PHE A 42 5.046 -3.424 -3.334 1.00 0.00 H new ATOM 0 HA PHE A 42 4.371 -5.875 -2.460 1.00 0.00 H new ATOM 0 HB2 PHE A 42 6.609 -4.803 -4.221 1.00 0.00 H new ATOM 0 HB3 PHE A 42 6.481 -6.534 -3.974 1.00 0.00 H new ATOM 0 HD1 PHE A 42 3.563 -6.929 -3.976 1.00 0.00 H new ATOM 0 HD2 PHE A 42 5.963 -4.458 -6.423 1.00 0.00 H new ATOM 0 HE1 PHE A 42 1.848 -7.061 -5.790 1.00 0.00 H new ATOM 0 HE2 PHE A 42 4.250 -4.591 -8.239 1.00 0.00 H new ATOM 0 HZ PHE A 42 2.213 -5.892 -7.900 1.00 0.00 H new ATOM 611 N LEU A 43 5.941 -7.042 -0.978 1.00 0.00 N ATOM 612 CA LEU A 43 6.771 -7.667 0.037 1.00 0.00 C ATOM 613 C LEU A 43 7.368 -8.960 -0.524 1.00 0.00 C ATOM 614 O LEU A 43 8.470 -9.354 -0.146 1.00 0.00 O ATOM 615 CB LEU A 43 5.979 -7.866 1.330 1.00 0.00 C ATOM 616 CG LEU A 43 5.666 -6.598 2.127 1.00 0.00 C ATOM 617 CD1 LEU A 43 4.604 -6.869 3.194 1.00 0.00 C ATOM 618 CD2 LEU A 43 6.940 -5.999 2.726 1.00 0.00 C ATOM 0 H LEU A 43 5.086 -7.551 -1.203 1.00 0.00 H new ATOM 0 HA LEU A 43 7.606 -7.017 0.299 1.00 0.00 H new ATOM 0 HB2 LEU A 43 5.038 -8.358 1.084 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.537 -8.547 1.973 1.00 0.00 H new ATOM 0 HG LEU A 43 5.253 -5.858 1.442 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.400 -5.951 3.746 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.688 -7.216 2.716 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.966 -7.633 3.882 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.690 -5.099 3.287 1.00 0.00 H new ATOM 0 HD22 LEU A 43 7.405 -6.725 3.393 1.00 0.00 H new ATOM 0 HD23 LEU A 43 7.634 -5.746 1.925 1.00 0.00 H new ATOM 630 N ASP A 44 6.613 -9.584 -1.416 1.00 0.00 N ATOM 631 CA ASP A 44 7.054 -10.824 -2.033 1.00 0.00 C ATOM 632 C ASP A 44 6.841 -10.740 -3.545 1.00 0.00 C ATOM 633 O ASP A 44 5.833 -10.205 -4.005 1.00 0.00 O ATOM 634 CB ASP A 44 6.251 -12.016 -1.507 1.00 0.00 C ATOM 635 CG ASP A 44 6.734 -12.581 -0.170 1.00 0.00 C ATOM 636 OD1 ASP A 44 7.575 -11.906 0.461 1.00 0.00 O ATOM 637 OD2 ASP A 44 6.250 -13.676 0.191 1.00 0.00 O ATOM 0 H ASP A 44 5.699 -9.254 -1.726 1.00 0.00 H new ATOM 0 HA ASP A 44 8.108 -10.965 -1.793 1.00 0.00 H new ATOM 0 HB2 ASP A 44 5.209 -11.715 -1.402 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.279 -12.811 -2.252 1.00 0.00 H new ATOM 642 N PRO A 45 7.831 -11.291 -4.297 1.00 0.00 N ATOM 643 CA PRO A 45 7.762 -11.284 -5.748 1.00 0.00 C ATOM 644 C PRO A 45 6.755 -12.319 -6.254 1.00 0.00 C ATOM 645 O PRO A 45 6.029 -12.067 -7.214 1.00 0.00 O ATOM 646 CB PRO A 45 9.183 -11.561 -6.211 1.00 0.00 C ATOM 647 CG PRO A 45 9.899 -12.171 -5.018 1.00 0.00 C ATOM 648 CD PRO A 45 9.039 -11.933 -3.787 1.00 0.00 C ATOM 0 HA PRO A 45 7.405 -10.335 -6.148 1.00 0.00 H new ATOM 0 HB2 PRO A 45 9.191 -12.243 -7.061 1.00 0.00 H new ATOM 0 HB3 PRO A 45 9.674 -10.643 -6.534 1.00 0.00 H new ATOM 0 HG2 PRO A 45 10.057 -13.238 -5.173 1.00 0.00 H new ATOM 0 HG3 PRO A 45 10.882 -11.718 -4.890 1.00 0.00 H new ATOM 0 HD2 PRO A 45 8.806 -12.869 -3.280 1.00 0.00 H new ATOM 0 HD3 PRO A 45 9.550 -11.297 -3.064 1.00 0.00 H new ATOM 656 N HIS A 46 6.744 -13.463 -5.585 1.00 0.00 N ATOM 657 CA HIS A 46 5.838 -14.537 -5.955 1.00 0.00 C ATOM 658 C HIS A 46 4.544 -14.417 -5.148 1.00 0.00 C ATOM 659 O HIS A 46 3.899 -15.421 -4.850 1.00 0.00 O ATOM 660 CB HIS A 46 6.516 -15.899 -5.790 1.00 0.00 C ATOM 661 CG HIS A 46 7.982 -15.903 -6.150 1.00 0.00 C ATOM 662 ND1 HIS A 46 8.977 -16.214 -5.239 1.00 0.00 N ATOM 663 CD2 HIS A 46 8.611 -15.633 -7.329 1.00 0.00 C ATOM 664 CE1 HIS A 46 10.148 -16.130 -5.853 1.00 0.00 C ATOM 665 NE2 HIS A 46 9.919 -15.769 -7.148 1.00 0.00 N ATOM 0 H HIS A 46 7.348 -13.669 -4.789 1.00 0.00 H new ATOM 0 HA HIS A 46 5.576 -14.451 -7.010 1.00 0.00 H new ATOM 0 HB2 HIS A 46 6.406 -16.225 -4.756 1.00 0.00 H new ATOM 0 HB3 HIS A 46 5.998 -16.629 -6.412 1.00 0.00 H new ATOM 0 HD2 HIS A 46 8.127 -15.355 -8.254 1.00 0.00 H new ATOM 0 HE1 HIS A 46 11.114 -16.315 -5.407 1.00 0.00 H new ATOM 0 HE2 HIS A 46 10.635 -15.627 -7.860 1.00 0.00 H new ATOM 673 N CYS A 47 4.202 -13.180 -4.819 1.00 0.00 N ATOM 674 CA CYS A 47 2.995 -12.916 -4.053 1.00 0.00 C ATOM 675 C CYS A 47 1.787 -13.221 -4.940 1.00 0.00 C ATOM 676 O CYS A 47 1.787 -14.204 -5.680 1.00 0.00 O ATOM 677 CB CYS A 47 2.966 -11.482 -3.521 1.00 0.00 C ATOM 678 SG CYS A 47 2.891 -10.299 -4.915 1.00 0.00 S ATOM 0 H CYS A 47 4.739 -12.350 -5.069 1.00 0.00 H new ATOM 0 HA CYS A 47 2.970 -13.560 -3.174 1.00 0.00 H new ATOM 0 HB2 CYS A 47 2.103 -11.344 -2.870 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.854 -11.291 -2.918 1.00 0.00 H new ATOM 0 HG CYS A 47 4.067 -9.779 -5.107 1.00 0.00 H new ATOM 684 N SER A 48 0.785 -12.360 -4.837 1.00 0.00 N ATOM 685 CA SER A 48 -0.427 -12.525 -5.621 1.00 0.00 C ATOM 686 C SER A 48 -0.614 -11.327 -6.554 1.00 0.00 C ATOM 687 O SER A 48 -0.443 -11.447 -7.766 1.00 0.00 O ATOM 688 CB SER A 48 -1.650 -12.689 -4.716 1.00 0.00 C ATOM 689 OG SER A 48 -2.554 -13.671 -5.213 1.00 0.00 O ATOM 0 H SER A 48 0.788 -11.546 -4.222 1.00 0.00 H new ATOM 0 HA SER A 48 -0.327 -13.431 -6.219 1.00 0.00 H new ATOM 0 HB2 SER A 48 -1.325 -12.970 -3.714 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.166 -11.733 -4.627 1.00 0.00 H new ATOM 0 HG SER A 48 -3.320 -13.747 -4.607 1.00 0.00 H new ATOM 695 N ALA A 49 -0.962 -10.198 -5.954 1.00 0.00 N ATOM 696 CA ALA A 49 -1.174 -8.980 -6.716 1.00 0.00 C ATOM 697 C ALA A 49 -0.118 -8.883 -7.819 1.00 0.00 C ATOM 698 O ALA A 49 -0.454 -8.809 -9.000 1.00 0.00 O ATOM 699 CB ALA A 49 -1.144 -7.775 -5.773 1.00 0.00 C ATOM 0 H ALA A 49 -1.102 -10.102 -4.948 1.00 0.00 H new ATOM 0 HA ALA A 49 -2.152 -8.994 -7.196 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -1.303 -6.861 -6.345 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -1.932 -7.877 -5.027 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -0.176 -7.727 -5.275 1.00 0.00 H new ATOM 705 N SER A 50 1.137 -8.887 -7.394 1.00 0.00 N ATOM 706 CA SER A 50 2.244 -8.800 -8.331 1.00 0.00 C ATOM 707 C SER A 50 2.033 -9.784 -9.484 1.00 0.00 C ATOM 708 O SER A 50 2.276 -9.450 -10.642 1.00 0.00 O ATOM 709 CB SER A 50 3.578 -9.078 -7.635 1.00 0.00 C ATOM 710 OG SER A 50 4.690 -8.689 -8.437 1.00 0.00 O ATOM 0 H SER A 50 1.412 -8.949 -6.414 1.00 0.00 H new ATOM 0 HA SER A 50 2.276 -7.785 -8.728 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.610 -8.542 -6.686 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.652 -10.141 -7.404 1.00 0.00 H new ATOM 0 HG SER A 50 5.523 -8.881 -7.957 1.00 0.00 H new ATOM 716 N LEU A 51 1.581 -10.977 -9.126 1.00 0.00 N ATOM 717 CA LEU A 51 1.334 -12.012 -10.116 1.00 0.00 C ATOM 718 C LEU A 51 0.179 -11.580 -11.021 1.00 0.00 C ATOM 719 O LEU A 51 0.192 -11.849 -12.221 1.00 0.00 O ATOM 720 CB LEU A 51 1.110 -13.363 -9.434 1.00 0.00 C ATOM 721 CG LEU A 51 2.319 -13.958 -8.709 1.00 0.00 C ATOM 722 CD1 LEU A 51 3.064 -14.947 -9.606 1.00 0.00 C ATOM 723 CD2 LEU A 51 3.239 -12.855 -8.183 1.00 0.00 C ATOM 0 H LEU A 51 1.379 -11.250 -8.164 1.00 0.00 H new ATOM 0 HA LEU A 51 2.207 -12.145 -10.755 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.298 -13.254 -8.715 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.776 -14.077 -10.187 1.00 0.00 H new ATOM 0 HG LEU A 51 1.959 -14.516 -7.845 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.919 -15.355 -9.066 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.393 -15.758 -9.889 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.412 -14.434 -10.503 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.090 -13.304 -7.672 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.594 -12.249 -9.017 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.689 -12.224 -7.485 1.00 0.00 H new ATOM 735 N ALA A 52 -0.793 -10.918 -10.410 1.00 0.00 N ATOM 736 CA ALA A 52 -1.954 -10.446 -11.146 1.00 0.00 C ATOM 737 C ALA A 52 -1.494 -9.544 -12.293 1.00 0.00 C ATOM 738 O ALA A 52 -1.725 -9.853 -13.461 1.00 0.00 O ATOM 739 CB ALA A 52 -2.909 -9.730 -10.189 1.00 0.00 C ATOM 0 H ALA A 52 -0.800 -10.697 -9.414 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.497 -11.284 -11.583 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.780 -9.376 -10.741 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.230 -10.422 -9.410 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.399 -8.881 -9.733 1.00 0.00 H new ATOM 745 N GLY A 53 -0.850 -8.448 -11.920 1.00 0.00 N ATOM 746 CA GLY A 53 -0.355 -7.499 -12.903 1.00 0.00 C ATOM 747 C GLY A 53 -0.205 -6.105 -12.291 1.00 0.00 C ATOM 748 O GLY A 53 -0.585 -5.109 -12.906 1.00 0.00 O ATOM 0 H GLY A 53 -0.659 -8.196 -10.950 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.607 -7.837 -13.288 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -1.040 -7.457 -13.750 1.00 0.00 H new ATOM 752 N ALA A 54 0.351 -6.078 -11.089 1.00 0.00 N ATOM 753 CA ALA A 54 0.557 -4.822 -10.388 1.00 0.00 C ATOM 754 C ALA A 54 2.058 -4.556 -10.256 1.00 0.00 C ATOM 755 O ALA A 54 2.858 -5.490 -10.233 1.00 0.00 O ATOM 756 CB ALA A 54 -0.147 -4.873 -9.031 1.00 0.00 C ATOM 0 H ALA A 54 0.665 -6.906 -10.583 1.00 0.00 H new ATOM 0 HA ALA A 54 0.124 -3.994 -10.949 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.008 -3.931 -8.505 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.215 -5.034 -9.181 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.264 -5.691 -8.439 1.00 0.00 H new ATOM 762 N LYS A 55 2.395 -3.277 -10.174 1.00 0.00 N ATOM 763 CA LYS A 55 3.786 -2.877 -10.046 1.00 0.00 C ATOM 764 C LYS A 55 3.991 -2.189 -8.695 1.00 0.00 C ATOM 765 O LYS A 55 3.080 -2.150 -7.869 1.00 0.00 O ATOM 766 CB LYS A 55 4.210 -2.022 -11.242 1.00 0.00 C ATOM 767 CG LYS A 55 4.599 -2.901 -12.433 1.00 0.00 C ATOM 768 CD LYS A 55 5.820 -2.331 -13.158 1.00 0.00 C ATOM 769 CE LYS A 55 5.448 -1.847 -14.561 1.00 0.00 C ATOM 770 NZ LYS A 55 6.045 -0.518 -14.825 1.00 0.00 N ATOM 0 H LYS A 55 1.729 -2.505 -10.194 1.00 0.00 H new ATOM 0 HA LYS A 55 4.437 -3.751 -10.062 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.394 -1.358 -11.527 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.052 -1.390 -10.961 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.815 -3.912 -12.088 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.761 -2.973 -13.126 1.00 0.00 H new ATOM 0 HD2 LYS A 55 6.236 -1.504 -12.582 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.596 -3.094 -13.226 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.798 -2.564 -15.304 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.364 -1.791 -14.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.783 -0.204 -15.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 5.691 0.166 -14.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.081 -0.582 -14.753 1.00 0.00 H new ATOM 784 N GLU A 56 5.193 -1.663 -8.511 1.00 0.00 N ATOM 785 CA GLU A 56 5.530 -0.978 -7.274 1.00 0.00 C ATOM 786 C GLU A 56 5.142 0.499 -7.363 1.00 0.00 C ATOM 787 O GLU A 56 5.289 1.121 -8.414 1.00 0.00 O ATOM 788 CB GLU A 56 7.016 -1.136 -6.947 1.00 0.00 C ATOM 789 CG GLU A 56 7.227 -1.361 -5.449 1.00 0.00 C ATOM 790 CD GLU A 56 8.423 -0.556 -4.936 1.00 0.00 C ATOM 791 OE1 GLU A 56 8.242 0.665 -4.739 1.00 0.00 O ATOM 792 OE2 GLU A 56 9.490 -1.181 -4.753 1.00 0.00 O ATOM 0 H GLU A 56 5.946 -1.697 -9.198 1.00 0.00 H new ATOM 0 HA GLU A 56 4.963 -1.434 -6.463 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.428 -1.976 -7.506 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.559 -0.246 -7.265 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.329 -1.071 -4.904 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.388 -2.422 -5.256 1.00 0.00 H new ATOM 799 N GLY A 57 4.654 1.018 -6.246 1.00 0.00 N ATOM 800 CA GLY A 57 4.244 2.410 -6.184 1.00 0.00 C ATOM 801 C GLY A 57 2.822 2.588 -6.721 1.00 0.00 C ATOM 802 O GLY A 57 2.432 3.690 -7.102 1.00 0.00 O ATOM 0 H GLY A 57 4.533 0.499 -5.376 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.294 2.762 -5.154 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.935 3.022 -6.764 1.00 0.00 H new ATOM 806 N ASP A 58 2.087 1.485 -6.734 1.00 0.00 N ATOM 807 CA ASP A 58 0.717 1.505 -7.217 1.00 0.00 C ATOM 808 C ASP A 58 -0.185 2.139 -6.157 1.00 0.00 C ATOM 809 O ASP A 58 -0.149 1.747 -4.991 1.00 0.00 O ATOM 810 CB ASP A 58 0.207 0.088 -7.485 1.00 0.00 C ATOM 811 CG ASP A 58 0.610 -0.499 -8.840 1.00 0.00 C ATOM 812 OD1 ASP A 58 0.851 0.311 -9.760 1.00 0.00 O ATOM 813 OD2 ASP A 58 0.668 -1.745 -8.924 1.00 0.00 O ATOM 0 H ASP A 58 2.415 0.572 -6.418 1.00 0.00 H new ATOM 0 HA ASP A 58 0.695 2.078 -8.144 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.575 -0.569 -6.697 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.881 0.090 -7.416 1.00 0.00 H new ATOM 818 N TYR A 59 -0.973 3.108 -6.599 1.00 0.00 N ATOM 819 CA TYR A 59 -1.883 3.801 -5.702 1.00 0.00 C ATOM 820 C TYR A 59 -3.324 3.336 -5.917 1.00 0.00 C ATOM 821 O TYR A 59 -3.960 3.710 -6.901 1.00 0.00 O ATOM 822 CB TYR A 59 -1.779 5.285 -6.059 1.00 0.00 C ATOM 823 CG TYR A 59 -0.388 5.883 -5.835 1.00 0.00 C ATOM 824 CD1 TYR A 59 0.650 5.549 -6.681 1.00 0.00 C ATOM 825 CD2 TYR A 59 -0.173 6.756 -4.789 1.00 0.00 C ATOM 826 CE1 TYR A 59 1.959 6.112 -6.471 1.00 0.00 C ATOM 827 CE2 TYR A 59 1.136 7.319 -4.579 1.00 0.00 C ATOM 828 CZ TYR A 59 2.137 6.969 -5.430 1.00 0.00 C ATOM 829 OH TYR A 59 3.373 7.500 -5.232 1.00 0.00 O ATOM 0 H TYR A 59 -1.000 3.430 -7.566 1.00 0.00 H new ATOM 0 HA TYR A 59 -1.623 3.602 -4.662 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -2.056 5.417 -7.105 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.503 5.843 -5.465 1.00 0.00 H new ATOM 0 HD1 TYR A 59 0.481 4.866 -7.500 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -0.986 7.017 -4.128 1.00 0.00 H new ATOM 0 HE1 TYR A 59 2.780 5.859 -7.125 1.00 0.00 H new ATOM 0 HE2 TYR A 59 1.318 8.004 -3.764 1.00 0.00 H new ATOM 0 HH TYR A 59 4.054 6.818 -5.407 1.00 0.00 H new ATOM 839 N ILE A 60 -3.798 2.527 -4.981 1.00 0.00 N ATOM 840 CA ILE A 60 -5.153 2.007 -5.056 1.00 0.00 C ATOM 841 C ILE A 60 -6.140 3.175 -5.110 1.00 0.00 C ATOM 842 O ILE A 60 -6.065 4.094 -4.295 1.00 0.00 O ATOM 843 CB ILE A 60 -5.417 1.031 -3.908 1.00 0.00 C ATOM 844 CG1 ILE A 60 -4.316 -0.029 -3.825 1.00 0.00 C ATOM 845 CG2 ILE A 60 -6.807 0.405 -4.029 1.00 0.00 C ATOM 846 CD1 ILE A 60 -3.790 -0.162 -2.395 1.00 0.00 C ATOM 0 H ILE A 60 -3.268 2.219 -4.166 1.00 0.00 H new ATOM 0 HA ILE A 60 -5.290 1.431 -5.971 1.00 0.00 H new ATOM 0 HB ILE A 60 -5.396 1.591 -2.973 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -4.704 -0.989 -4.164 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.498 0.238 -4.494 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -6.969 -0.285 -3.201 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -7.563 1.190 -4.001 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -6.881 -0.137 -4.972 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.009 -0.922 -2.364 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.380 0.794 -2.068 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -4.606 -0.453 -1.733 1.00 0.00 H new ATOM 858 N VAL A 61 -7.043 3.101 -6.077 1.00 0.00 N ATOM 859 CA VAL A 61 -8.043 4.141 -6.247 1.00 0.00 C ATOM 860 C VAL A 61 -9.422 3.577 -5.898 1.00 0.00 C ATOM 861 O VAL A 61 -10.285 4.300 -5.402 1.00 0.00 O ATOM 862 CB VAL A 61 -7.972 4.708 -7.666 1.00 0.00 C ATOM 863 CG1 VAL A 61 -6.699 5.534 -7.862 1.00 0.00 C ATOM 864 CG2 VAL A 61 -8.068 3.593 -8.709 1.00 0.00 C ATOM 0 H VAL A 61 -7.103 2.337 -6.750 1.00 0.00 H new ATOM 0 HA VAL A 61 -7.849 4.972 -5.569 1.00 0.00 H new ATOM 0 HB VAL A 61 -8.827 5.370 -7.805 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.672 5.926 -8.879 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.690 6.362 -7.154 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -5.826 4.903 -7.693 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -8.015 4.024 -9.709 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -7.243 2.894 -8.571 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -9.014 3.065 -8.591 1.00 0.00 H new ATOM 874 N SER A 62 -9.587 2.291 -6.170 1.00 0.00 N ATOM 875 CA SER A 62 -10.846 1.622 -5.890 1.00 0.00 C ATOM 876 C SER A 62 -10.616 0.118 -5.732 1.00 0.00 C ATOM 877 O SER A 62 -9.580 -0.402 -6.143 1.00 0.00 O ATOM 878 CB SER A 62 -11.869 1.889 -6.997 1.00 0.00 C ATOM 879 OG SER A 62 -12.315 3.242 -6.997 1.00 0.00 O ATOM 0 H SER A 62 -8.869 1.694 -6.582 1.00 0.00 H new ATOM 0 HA SER A 62 -11.246 2.022 -4.958 1.00 0.00 H new ATOM 0 HB2 SER A 62 -11.426 1.653 -7.965 1.00 0.00 H new ATOM 0 HB3 SER A 62 -12.724 1.225 -6.868 1.00 0.00 H new ATOM 0 HG SER A 62 -11.790 3.760 -6.352 1.00 0.00 H new ATOM 885 N ILE A 63 -11.599 -0.539 -5.134 1.00 0.00 N ATOM 886 CA ILE A 63 -11.517 -1.973 -4.916 1.00 0.00 C ATOM 887 C ILE A 63 -12.915 -2.584 -5.033 1.00 0.00 C ATOM 888 O ILE A 63 -13.731 -2.454 -4.121 1.00 0.00 O ATOM 889 CB ILE A 63 -10.824 -2.274 -3.585 1.00 0.00 C ATOM 890 CG1 ILE A 63 -9.400 -1.715 -3.570 1.00 0.00 C ATOM 891 CG2 ILE A 63 -10.855 -3.772 -3.277 1.00 0.00 C ATOM 892 CD1 ILE A 63 -8.644 -2.173 -2.321 1.00 0.00 C ATOM 0 H ILE A 63 -12.457 -0.104 -4.794 1.00 0.00 H new ATOM 0 HA ILE A 63 -10.900 -2.440 -5.684 1.00 0.00 H new ATOM 0 HB ILE A 63 -11.376 -1.771 -2.791 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -8.867 -2.043 -4.463 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -9.433 -0.626 -3.601 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -10.356 -3.958 -2.326 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -11.890 -4.110 -3.216 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -10.341 -4.317 -4.069 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -7.635 -1.762 -2.335 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -9.166 -1.822 -1.431 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -8.592 -3.262 -2.306 1.00 0.00 H new ATOM 904 N GLN A 64 -13.148 -3.236 -6.162 1.00 0.00 N ATOM 905 CA GLN A 64 -14.433 -3.867 -6.410 1.00 0.00 C ATOM 906 C GLN A 64 -15.510 -2.805 -6.640 1.00 0.00 C ATOM 907 O GLN A 64 -16.682 -3.030 -6.342 1.00 0.00 O ATOM 908 CB GLN A 64 -14.818 -4.798 -5.259 1.00 0.00 C ATOM 909 CG GLN A 64 -14.860 -6.255 -5.723 1.00 0.00 C ATOM 910 CD GLN A 64 -15.914 -6.453 -6.815 1.00 0.00 C ATOM 911 OE1 GLN A 64 -16.745 -5.598 -7.073 1.00 0.00 O ATOM 912 NE2 GLN A 64 -15.833 -7.625 -7.439 1.00 0.00 N ATOM 0 H GLN A 64 -12.469 -3.341 -6.916 1.00 0.00 H new ATOM 0 HA GLN A 64 -14.350 -4.474 -7.312 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -14.100 -4.692 -4.445 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -15.792 -4.510 -4.864 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -13.881 -6.548 -6.101 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -15.083 -6.904 -4.876 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -15.112 -8.296 -7.173 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -16.492 -7.853 -8.184 1.00 0.00 H new ATOM 921 N GLY A 65 -15.075 -1.670 -7.168 1.00 0.00 N ATOM 922 CA GLY A 65 -15.987 -0.573 -7.441 1.00 0.00 C ATOM 923 C GLY A 65 -16.091 0.366 -6.237 1.00 0.00 C ATOM 924 O GLY A 65 -16.812 1.361 -6.283 1.00 0.00 O ATOM 0 H GLY A 65 -14.102 -1.487 -7.414 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -15.642 -0.016 -8.312 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -16.973 -0.967 -7.685 1.00 0.00 H new ATOM 928 N VAL A 66 -15.359 0.017 -5.190 1.00 0.00 N ATOM 929 CA VAL A 66 -15.359 0.816 -3.976 1.00 0.00 C ATOM 930 C VAL A 66 -14.373 1.976 -4.134 1.00 0.00 C ATOM 931 O VAL A 66 -13.398 1.869 -4.876 1.00 0.00 O ATOM 932 CB VAL A 66 -15.053 -0.069 -2.766 1.00 0.00 C ATOM 933 CG1 VAL A 66 -15.045 0.752 -1.475 1.00 0.00 C ATOM 934 CG2 VAL A 66 -16.043 -1.231 -2.672 1.00 0.00 C ATOM 0 H VAL A 66 -14.761 -0.809 -5.157 1.00 0.00 H new ATOM 0 HA VAL A 66 -16.345 1.248 -3.804 1.00 0.00 H new ATOM 0 HB VAL A 66 -14.057 -0.489 -2.901 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -14.825 0.099 -0.630 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -14.283 1.528 -1.542 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -16.022 1.214 -1.332 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -15.803 -1.844 -1.803 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -17.055 -0.839 -2.571 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -15.977 -1.839 -3.574 1.00 0.00 H new ATOM 944 N ASP A 67 -14.662 3.057 -3.425 1.00 0.00 N ATOM 945 CA ASP A 67 -13.813 4.235 -3.477 1.00 0.00 C ATOM 946 C ASP A 67 -12.636 4.052 -2.518 1.00 0.00 C ATOM 947 O ASP A 67 -12.829 3.918 -1.310 1.00 0.00 O ATOM 948 CB ASP A 67 -14.582 5.487 -3.049 1.00 0.00 C ATOM 949 CG ASP A 67 -14.443 6.684 -3.992 1.00 0.00 C ATOM 950 OD1 ASP A 67 -13.306 6.909 -4.461 1.00 0.00 O ATOM 951 OD2 ASP A 67 -15.477 7.347 -4.222 1.00 0.00 O ATOM 0 H ASP A 67 -15.472 3.142 -2.811 1.00 0.00 H new ATOM 0 HA ASP A 67 -13.468 4.357 -4.504 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -15.638 5.234 -2.961 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -14.241 5.783 -2.057 1.00 0.00 H new ATOM 956 N CYS A 68 -11.441 4.053 -3.091 1.00 0.00 N ATOM 957 CA CYS A 68 -10.232 3.889 -2.302 1.00 0.00 C ATOM 958 C CYS A 68 -9.207 4.922 -2.773 1.00 0.00 C ATOM 959 O CYS A 68 -8.059 4.580 -3.053 1.00 0.00 O ATOM 960 CB CYS A 68 -9.687 2.462 -2.392 1.00 0.00 C ATOM 961 SG CYS A 68 -10.814 1.306 -1.530 1.00 0.00 S ATOM 0 H CYS A 68 -11.284 4.165 -4.093 1.00 0.00 H new ATOM 0 HA CYS A 68 -10.457 4.056 -1.249 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -9.582 2.169 -3.437 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -8.693 2.415 -1.946 1.00 0.00 H new ATOM 0 HG CYS A 68 -10.343 0.097 -1.614 1.00 0.00 H new ATOM 967 N LYS A 69 -9.658 6.166 -2.847 1.00 0.00 N ATOM 968 CA LYS A 69 -8.794 7.251 -3.279 1.00 0.00 C ATOM 969 C LYS A 69 -8.488 8.159 -2.087 1.00 0.00 C ATOM 970 O LYS A 69 -7.404 8.735 -2.003 1.00 0.00 O ATOM 971 CB LYS A 69 -9.414 7.987 -4.469 1.00 0.00 C ATOM 972 CG LYS A 69 -8.345 8.363 -5.498 1.00 0.00 C ATOM 973 CD LYS A 69 -8.748 9.619 -6.273 1.00 0.00 C ATOM 974 CE LYS A 69 -9.896 9.323 -7.239 1.00 0.00 C ATOM 975 NZ LYS A 69 -9.434 9.427 -8.641 1.00 0.00 N ATOM 0 H LYS A 69 -10.611 6.446 -2.615 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.841 6.860 -3.636 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -10.169 7.356 -4.938 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.921 8.887 -4.121 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.393 8.532 -4.994 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.196 7.536 -6.192 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -9.048 10.401 -5.575 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -7.890 9.999 -6.828 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -10.287 8.323 -7.052 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.714 10.023 -7.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -10.226 9.223 -9.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -9.082 10.389 -8.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -8.669 8.742 -8.806 1.00 0.00 H new ATOM 989 N TRP A 70 -9.462 8.259 -1.194 1.00 0.00 N ATOM 990 CA TRP A 70 -9.309 9.088 -0.010 1.00 0.00 C ATOM 991 C TRP A 70 -9.059 8.165 1.184 1.00 0.00 C ATOM 992 O TRP A 70 -8.334 8.525 2.110 1.00 0.00 O ATOM 993 CB TRP A 70 -10.524 9.998 0.182 1.00 0.00 C ATOM 994 CG TRP A 70 -11.047 10.621 -1.114 1.00 0.00 C ATOM 995 CD1 TRP A 70 -11.854 10.067 -2.029 1.00 0.00 C ATOM 996 CD2 TRP A 70 -10.764 11.948 -1.605 1.00 0.00 C ATOM 997 NE1 TRP A 70 -12.111 10.936 -3.070 1.00 0.00 N ATOM 998 CE2 TRP A 70 -11.427 12.116 -2.804 1.00 0.00 C ATOM 999 CE3 TRP A 70 -9.973 12.973 -1.055 1.00 0.00 C ATOM 1000 CZ2 TRP A 70 -11.367 13.297 -3.553 1.00 0.00 C ATOM 1001 CZ3 TRP A 70 -9.924 14.146 -1.816 1.00 0.00 C ATOM 1002 CH2 TRP A 70 -10.586 14.332 -3.025 1.00 0.00 C ATOM 0 H TRP A 70 -10.360 7.780 -1.266 1.00 0.00 H new ATOM 0 HA TRP A 70 -8.456 9.759 -0.116 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -11.326 9.423 0.646 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -10.261 10.796 0.876 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -12.253 9.066 -1.960 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -12.695 10.747 -3.884 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -9.445 12.863 -0.119 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -11.895 13.404 -4.489 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -9.330 14.965 -1.438 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -10.498 15.270 -3.554 1.00 0.00 H new ATOM 1013 N LEU A 71 -9.672 6.992 1.123 1.00 0.00 N ATOM 1014 CA LEU A 71 -9.525 6.014 2.188 1.00 0.00 C ATOM 1015 C LEU A 71 -8.058 5.955 2.620 1.00 0.00 C ATOM 1016 O LEU A 71 -7.159 6.167 1.808 1.00 0.00 O ATOM 1017 CB LEU A 71 -10.094 4.661 1.756 1.00 0.00 C ATOM 1018 CG LEU A 71 -11.584 4.641 1.409 1.00 0.00 C ATOM 1019 CD1 LEU A 71 -12.139 3.216 1.461 1.00 0.00 C ATOM 1020 CD2 LEU A 71 -12.370 5.595 2.310 1.00 0.00 C ATOM 0 H LEU A 71 -10.272 6.697 0.353 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.104 6.312 3.062 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.534 4.314 0.887 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -9.918 3.943 2.557 1.00 0.00 H new ATOM 0 HG LEU A 71 -11.701 4.996 0.385 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -13.200 3.229 1.210 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.605 2.591 0.745 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -12.008 2.811 2.464 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -13.426 5.561 2.042 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -12.250 5.294 3.351 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -11.995 6.610 2.180 1.00 0.00 H new ATOM 1032 N THR A 72 -7.863 5.665 3.898 1.00 0.00 N ATOM 1033 CA THR A 72 -6.521 5.575 4.448 1.00 0.00 C ATOM 1034 C THR A 72 -5.979 4.151 4.303 1.00 0.00 C ATOM 1035 O THR A 72 -6.434 3.395 3.446 1.00 0.00 O ATOM 1036 CB THR A 72 -6.570 6.061 5.898 1.00 0.00 C ATOM 1037 OG1 THR A 72 -7.425 5.125 6.549 1.00 0.00 O ATOM 1038 CG2 THR A 72 -7.301 7.397 6.043 1.00 0.00 C ATOM 0 H THR A 72 -8.612 5.489 4.568 1.00 0.00 H new ATOM 0 HA THR A 72 -5.826 6.211 3.900 1.00 0.00 H new ATOM 0 HB THR A 72 -5.555 6.159 6.283 1.00 0.00 H new ATOM 0 HG1 THR A 72 -8.326 5.503 6.625 1.00 0.00 H new ATOM 0 HG21 THR A 72 -7.307 7.696 7.091 1.00 0.00 H new ATOM 0 HG22 THR A 72 -6.791 8.157 5.451 1.00 0.00 H new ATOM 0 HG23 THR A 72 -8.327 7.291 5.690 1.00 0.00 H new ATOM 1046 N VAL A 73 -5.016 3.829 5.153 1.00 0.00 N ATOM 1047 CA VAL A 73 -4.408 2.510 5.131 1.00 0.00 C ATOM 1048 C VAL A 73 -5.316 1.522 5.866 1.00 0.00 C ATOM 1049 O VAL A 73 -5.495 0.389 5.421 1.00 0.00 O ATOM 1050 CB VAL A 73 -2.996 2.574 5.717 1.00 0.00 C ATOM 1051 CG1 VAL A 73 -2.440 1.170 5.963 1.00 0.00 C ATOM 1052 CG2 VAL A 73 -2.064 3.382 4.812 1.00 0.00 C ATOM 0 H VAL A 73 -4.641 4.459 5.862 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.304 2.155 4.106 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.055 3.084 6.679 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.435 1.244 6.380 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -3.085 0.641 6.664 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.403 0.623 5.021 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -1.067 3.412 5.251 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.014 2.913 3.830 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -2.446 4.398 4.710 1.00 0.00 H new ATOM 1062 N SER A 74 -5.865 1.987 6.979 1.00 0.00 N ATOM 1063 CA SER A 74 -6.749 1.158 7.780 1.00 0.00 C ATOM 1064 C SER A 74 -8.015 0.825 6.987 1.00 0.00 C ATOM 1065 O SER A 74 -8.421 -0.334 6.918 1.00 0.00 O ATOM 1066 CB SER A 74 -7.114 1.852 9.094 1.00 0.00 C ATOM 1067 OG SER A 74 -8.223 1.229 9.736 1.00 0.00 O ATOM 0 H SER A 74 -5.714 2.927 7.345 1.00 0.00 H new ATOM 0 HA SER A 74 -6.225 0.233 8.022 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.253 1.838 9.763 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.349 2.898 8.898 1.00 0.00 H new ATOM 0 HG SER A 74 -8.424 1.700 10.572 1.00 0.00 H new ATOM 1073 N GLU A 75 -8.602 1.861 6.407 1.00 0.00 N ATOM 1074 CA GLU A 75 -9.812 1.693 5.621 1.00 0.00 C ATOM 1075 C GLU A 75 -9.601 0.628 4.543 1.00 0.00 C ATOM 1076 O GLU A 75 -10.235 -0.426 4.575 1.00 0.00 O ATOM 1077 CB GLU A 75 -10.253 3.020 5.001 1.00 0.00 C ATOM 1078 CG GLU A 75 -11.160 3.798 5.957 1.00 0.00 C ATOM 1079 CD GLU A 75 -10.846 5.295 5.915 1.00 0.00 C ATOM 1080 OE1 GLU A 75 -9.653 5.619 5.733 1.00 0.00 O ATOM 1081 OE2 GLU A 75 -11.807 6.080 6.067 1.00 0.00 O ATOM 0 H GLU A 75 -8.262 2.821 6.466 1.00 0.00 H new ATOM 0 HA GLU A 75 -10.609 1.358 6.285 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -9.377 3.620 4.756 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -10.781 2.831 4.066 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -12.204 3.634 5.688 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -11.030 3.424 6.973 1.00 0.00 H new ATOM 1088 N VAL A 76 -8.709 0.939 3.615 1.00 0.00 N ATOM 1089 CA VAL A 76 -8.407 0.022 2.529 1.00 0.00 C ATOM 1090 C VAL A 76 -8.160 -1.375 3.102 1.00 0.00 C ATOM 1091 O VAL A 76 -8.775 -2.347 2.666 1.00 0.00 O ATOM 1092 CB VAL A 76 -7.228 0.550 1.710 1.00 0.00 C ATOM 1093 CG1 VAL A 76 -6.728 -0.506 0.723 1.00 0.00 C ATOM 1094 CG2 VAL A 76 -7.599 1.846 0.986 1.00 0.00 C ATOM 0 H VAL A 76 -8.185 1.814 3.592 1.00 0.00 H new ATOM 0 HA VAL A 76 -9.252 -0.052 1.845 1.00 0.00 H new ATOM 0 HB VAL A 76 -6.415 0.774 2.401 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -5.890 -0.104 0.154 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.404 -1.391 1.270 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.534 -0.776 0.040 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.743 2.200 0.411 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -8.436 1.660 0.313 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -7.883 2.603 1.717 1.00 0.00 H new ATOM 1104 N MET A 77 -7.257 -1.431 4.070 1.00 0.00 N ATOM 1105 CA MET A 77 -6.920 -2.693 4.707 1.00 0.00 C ATOM 1106 C MET A 77 -8.183 -3.471 5.084 1.00 0.00 C ATOM 1107 O MET A 77 -8.250 -4.684 4.891 1.00 0.00 O ATOM 1108 CB MET A 77 -6.090 -2.425 5.964 1.00 0.00 C ATOM 1109 CG MET A 77 -4.593 -2.529 5.665 1.00 0.00 C ATOM 1110 SD MET A 77 -4.166 -4.215 5.264 1.00 0.00 S ATOM 1111 CE MET A 77 -2.974 -3.933 3.965 1.00 0.00 C ATOM 0 H MET A 77 -6.748 -0.623 4.429 1.00 0.00 H new ATOM 0 HA MET A 77 -6.344 -3.292 4.002 1.00 0.00 H new ATOM 0 HB2 MET A 77 -6.319 -1.432 6.351 1.00 0.00 H new ATOM 0 HB3 MET A 77 -6.360 -3.140 6.741 1.00 0.00 H new ATOM 0 HG2 MET A 77 -4.333 -1.872 4.835 1.00 0.00 H new ATOM 0 HG3 MET A 77 -4.017 -2.195 6.528 1.00 0.00 H new ATOM 0 HE1 MET A 77 -2.364 -4.826 3.831 1.00 0.00 H new ATOM 0 HE2 MET A 77 -3.496 -3.707 3.035 1.00 0.00 H new ATOM 0 HE3 MET A 77 -2.333 -3.094 4.235 1.00 0.00 H new ATOM 1121 N LYS A 78 -9.152 -2.741 5.616 1.00 0.00 N ATOM 1122 CA LYS A 78 -10.409 -3.347 6.022 1.00 0.00 C ATOM 1123 C LYS A 78 -11.247 -3.653 4.779 1.00 0.00 C ATOM 1124 O LYS A 78 -12.101 -4.538 4.805 1.00 0.00 O ATOM 1125 CB LYS A 78 -11.124 -2.462 7.044 1.00 0.00 C ATOM 1126 CG LYS A 78 -12.637 -2.475 6.816 1.00 0.00 C ATOM 1127 CD LYS A 78 -13.382 -1.970 8.054 1.00 0.00 C ATOM 1128 CE LYS A 78 -14.870 -2.321 7.979 1.00 0.00 C ATOM 1129 NZ LYS A 78 -15.699 -1.122 8.232 1.00 0.00 N ATOM 0 H LYS A 78 -9.092 -1.735 5.775 1.00 0.00 H new ATOM 0 HA LYS A 78 -10.230 -4.296 6.527 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.901 -2.812 8.052 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -10.750 -1.441 6.971 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -12.885 -1.850 5.958 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -12.964 -3.487 6.578 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -12.945 -2.410 8.950 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -13.263 -0.890 8.139 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -15.104 -2.731 6.997 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -15.105 -3.094 8.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -16.706 -1.378 8.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -15.488 -0.748 9.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -15.487 -0.396 7.518 1.00 0.00 H new ATOM 1143 N LEU A 79 -10.975 -2.904 3.721 1.00 0.00 N ATOM 1144 CA LEU A 79 -11.694 -3.084 2.472 1.00 0.00 C ATOM 1145 C LEU A 79 -11.133 -4.303 1.737 1.00 0.00 C ATOM 1146 O LEU A 79 -11.843 -4.948 0.966 1.00 0.00 O ATOM 1147 CB LEU A 79 -11.660 -1.798 1.643 1.00 0.00 C ATOM 1148 CG LEU A 79 -13.002 -1.328 1.078 1.00 0.00 C ATOM 1149 CD1 LEU A 79 -13.313 0.103 1.522 1.00 0.00 C ATOM 1150 CD2 LEU A 79 -13.037 -1.477 -0.444 1.00 0.00 C ATOM 0 H LEU A 79 -10.266 -2.171 3.703 1.00 0.00 H new ATOM 0 HA LEU A 79 -12.748 -3.284 2.665 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -11.250 -1.001 2.263 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -10.969 -1.943 0.812 1.00 0.00 H new ATOM 0 HG LEU A 79 -13.787 -1.967 1.482 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -14.272 0.412 1.107 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -13.358 0.145 2.610 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -12.530 0.773 1.166 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -14.001 -1.136 -0.821 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -12.242 -0.877 -0.887 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -12.893 -2.524 -0.710 1.00 0.00 H new ATOM 1162 N LEU A 80 -9.866 -4.583 2.002 1.00 0.00 N ATOM 1163 CA LEU A 80 -9.202 -5.714 1.376 1.00 0.00 C ATOM 1164 C LEU A 80 -9.449 -6.971 2.212 1.00 0.00 C ATOM 1165 O LEU A 80 -9.808 -8.018 1.674 1.00 0.00 O ATOM 1166 CB LEU A 80 -7.720 -5.407 1.149 1.00 0.00 C ATOM 1167 CG LEU A 80 -7.339 -4.945 -0.258 1.00 0.00 C ATOM 1168 CD1 LEU A 80 -5.876 -4.501 -0.312 1.00 0.00 C ATOM 1169 CD2 LEU A 80 -7.647 -6.028 -1.294 1.00 0.00 C ATOM 0 H LEU A 80 -9.281 -4.046 2.642 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.620 -5.901 0.387 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -7.416 -4.636 1.858 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -7.144 -6.302 1.385 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.949 -4.077 -0.508 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.631 -4.177 -1.324 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.721 -3.674 0.381 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.232 -5.335 -0.032 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.366 -5.673 -2.286 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.081 -6.929 -1.058 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.713 -6.254 -1.278 1.00 0.00 H new ATOM 1181 N LYS A 81 -9.247 -6.827 3.513 1.00 0.00 N ATOM 1182 CA LYS A 81 -9.443 -7.938 4.429 1.00 0.00 C ATOM 1183 C LYS A 81 -10.844 -8.520 4.225 1.00 0.00 C ATOM 1184 O LYS A 81 -10.999 -9.728 4.055 1.00 0.00 O ATOM 1185 CB LYS A 81 -9.162 -7.503 5.868 1.00 0.00 C ATOM 1186 CG LYS A 81 -7.660 -7.514 6.160 1.00 0.00 C ATOM 1187 CD LYS A 81 -7.329 -6.632 7.366 1.00 0.00 C ATOM 1188 CE LYS A 81 -5.847 -6.253 7.378 1.00 0.00 C ATOM 1189 NZ LYS A 81 -5.266 -6.478 8.721 1.00 0.00 N ATOM 0 H LYS A 81 -8.949 -5.957 3.955 1.00 0.00 H new ATOM 0 HA LYS A 81 -8.731 -8.736 4.217 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -9.561 -6.502 6.034 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -9.676 -8.170 6.560 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -7.331 -8.535 6.351 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -7.113 -7.161 5.286 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -7.939 -5.729 7.339 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -7.581 -7.159 8.286 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -5.308 -6.845 6.638 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -5.731 -5.207 7.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -4.260 -6.216 8.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -5.770 -5.895 9.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -5.360 -7.482 8.976 1.00 0.00 H new ATOM 1203 N SER A 82 -11.828 -7.633 4.249 1.00 0.00 N ATOM 1204 CA SER A 82 -13.210 -8.043 4.069 1.00 0.00 C ATOM 1205 C SER A 82 -13.320 -9.006 2.885 1.00 0.00 C ATOM 1206 O SER A 82 -14.002 -10.026 2.972 1.00 0.00 O ATOM 1207 CB SER A 82 -14.120 -6.832 3.855 1.00 0.00 C ATOM 1208 OG SER A 82 -15.498 -7.195 3.852 1.00 0.00 O ATOM 0 H SER A 82 -11.695 -6.632 4.390 1.00 0.00 H new ATOM 0 HA SER A 82 -13.537 -8.553 4.975 1.00 0.00 H new ATOM 0 HB2 SER A 82 -13.940 -6.099 4.642 1.00 0.00 H new ATOM 0 HB3 SER A 82 -13.869 -6.352 2.909 1.00 0.00 H new ATOM 0 HG SER A 82 -16.047 -6.395 3.714 1.00 0.00 H new ATOM 1214 N PHE A 83 -12.638 -8.649 1.807 1.00 0.00 N ATOM 1215 CA PHE A 83 -12.651 -9.468 0.608 1.00 0.00 C ATOM 1216 C PHE A 83 -11.535 -10.515 0.647 1.00 0.00 C ATOM 1217 O PHE A 83 -10.915 -10.805 -0.375 1.00 0.00 O ATOM 1218 CB PHE A 83 -12.413 -8.531 -0.578 1.00 0.00 C ATOM 1219 CG PHE A 83 -13.390 -7.355 -0.647 1.00 0.00 C ATOM 1220 CD1 PHE A 83 -14.642 -7.480 -0.130 1.00 0.00 C ATOM 1221 CD2 PHE A 83 -13.006 -6.185 -1.225 1.00 0.00 C ATOM 1222 CE1 PHE A 83 -15.548 -6.389 -0.195 1.00 0.00 C ATOM 1223 CE2 PHE A 83 -13.912 -5.094 -1.289 1.00 0.00 C ATOM 1224 CZ PHE A 83 -15.164 -5.219 -0.773 1.00 0.00 C ATOM 0 H PHE A 83 -12.072 -7.803 1.739 1.00 0.00 H new ATOM 0 HA PHE A 83 -13.603 -9.993 0.527 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -11.396 -8.143 -0.523 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -12.485 -9.105 -1.502 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -14.947 -8.409 0.330 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -12.012 -6.086 -1.635 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -16.542 -6.488 0.215 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -13.607 -4.165 -1.747 1.00 0.00 H new ATOM 0 HZ PHE A 83 -15.854 -4.389 -0.822 1.00 0.00 H new ATOM 1234 N GLY A 84 -11.314 -11.053 1.837 1.00 0.00 N ATOM 1235 CA GLY A 84 -10.284 -12.061 2.023 1.00 0.00 C ATOM 1236 C GLY A 84 -10.692 -13.387 1.377 1.00 0.00 C ATOM 1237 O GLY A 84 -11.783 -13.895 1.629 1.00 0.00 O ATOM 0 H GLY A 84 -11.831 -10.810 2.682 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.347 -11.713 1.588 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -10.105 -12.211 3.088 1.00 0.00 H new ATOM 1241 N GLY A 85 -9.793 -13.909 0.556 1.00 0.00 N ATOM 1242 CA GLY A 85 -10.045 -15.166 -0.128 1.00 0.00 C ATOM 1243 C GLY A 85 -11.171 -15.016 -1.153 1.00 0.00 C ATOM 1244 O GLY A 85 -11.863 -15.984 -1.467 1.00 0.00 O ATOM 0 H GLY A 85 -8.889 -13.484 0.349 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -9.136 -15.501 -0.627 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -10.310 -15.933 0.599 1.00 0.00 H new ATOM 1248 N GLU A 86 -11.321 -13.795 -1.646 1.00 0.00 N ATOM 1249 CA GLU A 86 -12.352 -13.506 -2.628 1.00 0.00 C ATOM 1250 C GLU A 86 -11.770 -12.689 -3.784 1.00 0.00 C ATOM 1251 O GLU A 86 -11.209 -11.616 -3.569 1.00 0.00 O ATOM 1252 CB GLU A 86 -13.535 -12.781 -1.985 1.00 0.00 C ATOM 1253 CG GLU A 86 -14.165 -13.631 -0.880 1.00 0.00 C ATOM 1254 CD GLU A 86 -15.692 -13.572 -0.946 1.00 0.00 C ATOM 1255 OE1 GLU A 86 -16.223 -12.447 -0.823 1.00 0.00 O ATOM 1256 OE2 GLU A 86 -16.295 -14.654 -1.118 1.00 0.00 O ATOM 0 H GLU A 86 -10.746 -12.995 -1.384 1.00 0.00 H new ATOM 0 HA GLU A 86 -12.721 -14.451 -3.026 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -13.201 -11.829 -1.571 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -14.283 -12.553 -2.745 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -13.833 -14.665 -0.977 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -13.826 -13.278 0.094 1.00 0.00 H new ATOM 1263 N GLU A 87 -11.923 -13.229 -4.984 1.00 0.00 N ATOM 1264 CA GLU A 87 -11.419 -12.563 -6.173 1.00 0.00 C ATOM 1265 C GLU A 87 -12.056 -11.179 -6.317 1.00 0.00 C ATOM 1266 O GLU A 87 -13.268 -11.065 -6.492 1.00 0.00 O ATOM 1267 CB GLU A 87 -11.665 -13.412 -7.422 1.00 0.00 C ATOM 1268 CG GLU A 87 -10.479 -13.325 -8.386 1.00 0.00 C ATOM 1269 CD GLU A 87 -10.560 -14.418 -9.454 1.00 0.00 C ATOM 1270 OE1 GLU A 87 -11.479 -14.321 -10.296 1.00 0.00 O ATOM 1271 OE2 GLU A 87 -9.702 -15.325 -9.404 1.00 0.00 O ATOM 0 H GLU A 87 -12.389 -14.120 -5.159 1.00 0.00 H new ATOM 0 HA GLU A 87 -10.342 -12.436 -6.066 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -11.829 -14.450 -7.134 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -12.572 -13.074 -7.924 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -10.465 -12.345 -8.863 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -9.546 -13.422 -7.831 1.00 0.00 H new ATOM 1278 N VAL A 88 -11.210 -10.163 -6.238 1.00 0.00 N ATOM 1279 CA VAL A 88 -11.676 -8.791 -6.357 1.00 0.00 C ATOM 1280 C VAL A 88 -10.945 -8.108 -7.515 1.00 0.00 C ATOM 1281 O VAL A 88 -10.036 -8.687 -8.108 1.00 0.00 O ATOM 1282 CB VAL A 88 -11.498 -8.061 -5.024 1.00 0.00 C ATOM 1283 CG1 VAL A 88 -12.125 -8.854 -3.876 1.00 0.00 C ATOM 1284 CG2 VAL A 88 -10.020 -7.774 -4.749 1.00 0.00 C ATOM 0 H VAL A 88 -10.205 -10.262 -6.093 1.00 0.00 H new ATOM 0 HA VAL A 88 -12.741 -8.767 -6.586 1.00 0.00 H new ATOM 0 HB VAL A 88 -12.018 -7.105 -5.094 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -11.984 -8.313 -2.940 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -13.191 -8.984 -4.063 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -11.647 -9.831 -3.805 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -9.921 -7.255 -3.796 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -9.468 -8.713 -4.709 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -9.616 -7.149 -5.546 1.00 0.00 H new ATOM 1294 N GLU A 89 -11.370 -6.887 -7.802 1.00 0.00 N ATOM 1295 CA GLU A 89 -10.768 -6.119 -8.879 1.00 0.00 C ATOM 1296 C GLU A 89 -10.253 -4.778 -8.351 1.00 0.00 C ATOM 1297 O GLU A 89 -11.023 -3.832 -8.191 1.00 0.00 O ATOM 1298 CB GLU A 89 -11.760 -5.912 -10.025 1.00 0.00 C ATOM 1299 CG GLU A 89 -11.233 -6.528 -11.323 1.00 0.00 C ATOM 1300 CD GLU A 89 -12.372 -6.772 -12.315 1.00 0.00 C ATOM 1301 OE1 GLU A 89 -12.919 -5.764 -12.811 1.00 0.00 O ATOM 1302 OE2 GLU A 89 -12.670 -7.962 -12.556 1.00 0.00 O ATOM 0 H GLU A 89 -12.124 -6.410 -7.308 1.00 0.00 H new ATOM 0 HA GLU A 89 -9.921 -6.682 -9.272 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -12.718 -6.363 -9.767 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -11.937 -4.846 -10.170 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -10.492 -5.865 -11.770 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -10.728 -7.469 -11.105 1.00 0.00 H new ATOM 1309 N MET A 90 -8.954 -4.740 -8.094 1.00 0.00 N ATOM 1310 CA MET A 90 -8.327 -3.531 -7.587 1.00 0.00 C ATOM 1311 C MET A 90 -7.789 -2.671 -8.733 1.00 0.00 C ATOM 1312 O MET A 90 -7.273 -3.195 -9.719 1.00 0.00 O ATOM 1313 CB MET A 90 -7.179 -3.906 -6.648 1.00 0.00 C ATOM 1314 CG MET A 90 -6.597 -2.664 -5.970 1.00 0.00 C ATOM 1315 SD MET A 90 -4.824 -2.631 -6.175 1.00 0.00 S ATOM 1316 CE MET A 90 -4.439 -4.338 -5.821 1.00 0.00 C ATOM 0 H MET A 90 -8.319 -5.527 -8.227 1.00 0.00 H new ATOM 0 HA MET A 90 -9.077 -2.955 -7.046 1.00 0.00 H new ATOM 0 HB2 MET A 90 -7.537 -4.604 -5.891 1.00 0.00 H new ATOM 0 HB3 MET A 90 -6.398 -4.418 -7.210 1.00 0.00 H new ATOM 0 HG2 MET A 90 -7.038 -1.765 -6.400 1.00 0.00 H new ATOM 0 HG3 MET A 90 -6.849 -2.667 -4.909 1.00 0.00 H new ATOM 0 HE1 MET A 90 -3.449 -4.402 -5.370 1.00 0.00 H new ATOM 0 HE2 MET A 90 -5.179 -4.742 -5.130 1.00 0.00 H new ATOM 0 HE3 MET A 90 -4.454 -4.914 -6.746 1.00 0.00 H new ATOM 1326 N LYS A 91 -7.928 -1.364 -8.565 1.00 0.00 N ATOM 1327 CA LYS A 91 -7.463 -0.426 -9.572 1.00 0.00 C ATOM 1328 C LYS A 91 -6.344 0.435 -8.983 1.00 0.00 C ATOM 1329 O LYS A 91 -6.458 0.924 -7.860 1.00 0.00 O ATOM 1330 CB LYS A 91 -8.634 0.385 -10.131 1.00 0.00 C ATOM 1331 CG LYS A 91 -9.457 -0.448 -11.116 1.00 0.00 C ATOM 1332 CD LYS A 91 -10.712 -1.009 -10.443 1.00 0.00 C ATOM 1333 CE LYS A 91 -11.817 -1.264 -11.471 1.00 0.00 C ATOM 1334 NZ LYS A 91 -13.071 -1.664 -10.794 1.00 0.00 N ATOM 0 H LYS A 91 -8.356 -0.933 -7.746 1.00 0.00 H new ATOM 0 HA LYS A 91 -7.040 -0.960 -10.423 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.271 0.722 -9.313 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.257 1.278 -10.630 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -9.742 0.167 -11.969 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -8.850 -1.267 -11.502 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -10.468 -1.938 -9.927 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -11.068 -0.309 -9.687 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -11.987 -0.364 -12.062 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -11.505 -2.046 -12.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -13.811 -1.833 -11.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -12.909 -2.535 -10.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -13.376 -0.905 -10.151 1.00 0.00 H new ATOM 1348 N VAL A 92 -5.289 0.596 -9.768 1.00 0.00 N ATOM 1349 CA VAL A 92 -4.150 1.390 -9.338 1.00 0.00 C ATOM 1350 C VAL A 92 -3.734 2.331 -10.469 1.00 0.00 C ATOM 1351 O VAL A 92 -3.868 1.992 -11.644 1.00 0.00 O ATOM 1352 CB VAL A 92 -3.016 0.472 -8.876 1.00 0.00 C ATOM 1353 CG1 VAL A 92 -3.407 -0.284 -7.604 1.00 0.00 C ATOM 1354 CG2 VAL A 92 -2.609 -0.498 -9.987 1.00 0.00 C ATOM 0 H VAL A 92 -5.199 0.190 -10.699 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.418 2.009 -8.482 1.00 0.00 H new ATOM 0 HB VAL A 92 -2.153 1.096 -8.643 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -2.584 -0.929 -7.297 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.625 0.429 -6.809 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -4.291 -0.891 -7.799 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.802 -1.139 -9.633 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.465 -1.113 -10.265 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.270 0.066 -10.856 1.00 0.00 H new ATOM 1364 N VAL A 93 -3.237 3.495 -10.076 1.00 0.00 N ATOM 1365 CA VAL A 93 -2.800 4.487 -11.043 1.00 0.00 C ATOM 1366 C VAL A 93 -1.324 4.811 -10.803 1.00 0.00 C ATOM 1367 O VAL A 93 -0.845 4.739 -9.672 1.00 0.00 O ATOM 1368 CB VAL A 93 -3.703 5.721 -10.970 1.00 0.00 C ATOM 1369 CG1 VAL A 93 -4.954 5.535 -11.830 1.00 0.00 C ATOM 1370 CG2 VAL A 93 -4.075 6.043 -9.522 1.00 0.00 C ATOM 0 H VAL A 93 -3.127 3.773 -9.101 1.00 0.00 H new ATOM 0 HA VAL A 93 -2.886 4.097 -12.057 1.00 0.00 H new ATOM 0 HB VAL A 93 -3.146 6.569 -11.368 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -5.579 6.425 -11.761 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -4.662 5.377 -12.868 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -5.514 4.670 -11.475 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -4.717 6.924 -9.498 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -4.605 5.196 -9.086 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -3.169 6.239 -8.949 1.00 0.00 H new ATOM 1380 N SER A 94 -0.645 5.162 -11.885 1.00 0.00 N ATOM 1381 CA SER A 94 0.767 5.498 -11.806 1.00 0.00 C ATOM 1382 C SER A 94 0.936 7.006 -11.611 1.00 0.00 C ATOM 1383 O SER A 94 0.187 7.797 -12.182 1.00 0.00 O ATOM 1384 CB SER A 94 1.513 5.038 -13.060 1.00 0.00 C ATOM 1385 OG SER A 94 1.045 3.775 -13.527 1.00 0.00 O ATOM 0 H SER A 94 -1.046 5.221 -12.821 1.00 0.00 H new ATOM 0 HA SER A 94 1.195 4.977 -10.950 1.00 0.00 H new ATOM 0 HB2 SER A 94 1.393 5.783 -13.847 1.00 0.00 H new ATOM 0 HB3 SER A 94 2.579 4.972 -12.844 1.00 0.00 H new ATOM 0 HG SER A 94 1.545 3.517 -14.330 1.00 0.00 H new ATOM 1391 N LEU A 95 1.925 7.358 -10.803 1.00 0.00 N ATOM 1392 CA LEU A 95 2.202 8.757 -10.525 1.00 0.00 C ATOM 1393 C LEU A 95 3.320 9.244 -11.448 1.00 0.00 C ATOM 1394 O LEU A 95 4.377 8.620 -11.532 1.00 0.00 O ATOM 1395 CB LEU A 95 2.500 8.960 -9.038 1.00 0.00 C ATOM 1396 CG LEU A 95 1.597 9.951 -8.302 1.00 0.00 C ATOM 1397 CD1 LEU A 95 1.428 9.553 -6.834 1.00 0.00 C ATOM 1398 CD2 LEU A 95 2.116 11.382 -8.451 1.00 0.00 C ATOM 0 H LEU A 95 2.544 6.699 -10.332 1.00 0.00 H new ATOM 0 HA LEU A 95 1.324 9.368 -10.736 1.00 0.00 H new ATOM 0 HB2 LEU A 95 2.429 7.994 -8.538 1.00 0.00 H new ATOM 0 HB3 LEU A 95 3.532 9.296 -8.937 1.00 0.00 H new ATOM 0 HG LEU A 95 0.609 9.918 -8.761 1.00 0.00 H new ATOM 0 HD11 LEU A 95 0.782 10.274 -6.334 1.00 0.00 H new ATOM 0 HD12 LEU A 95 0.979 8.561 -6.775 1.00 0.00 H new ATOM 0 HD13 LEU A 95 2.403 9.540 -6.346 1.00 0.00 H new ATOM 0 HD21 LEU A 95 1.455 12.066 -7.918 1.00 0.00 H new ATOM 0 HD22 LEU A 95 3.121 11.450 -8.034 1.00 0.00 H new ATOM 0 HD23 LEU A 95 2.142 11.651 -9.507 1.00 0.00 H new ATOM 1410 N LEU A 96 3.050 10.355 -12.118 1.00 0.00 N ATOM 1411 CA LEU A 96 4.020 10.933 -13.032 1.00 0.00 C ATOM 1412 C LEU A 96 4.623 12.190 -12.402 1.00 0.00 C ATOM 1413 O LEU A 96 4.442 12.439 -11.211 1.00 0.00 O ATOM 1414 CB LEU A 96 3.386 11.176 -14.403 1.00 0.00 C ATOM 1415 CG LEU A 96 2.545 10.029 -14.966 1.00 0.00 C ATOM 1416 CD1 LEU A 96 3.145 8.673 -14.591 1.00 0.00 C ATOM 1417 CD2 LEU A 96 1.085 10.151 -14.524 1.00 0.00 C ATOM 0 H LEU A 96 2.173 10.870 -12.046 1.00 0.00 H new ATOM 0 HA LEU A 96 4.841 10.238 -13.205 1.00 0.00 H new ATOM 0 HB2 LEU A 96 2.757 12.064 -14.338 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.181 11.400 -15.114 1.00 0.00 H new ATOM 0 HG LEU A 96 2.559 10.098 -16.054 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.528 7.875 -15.004 1.00 0.00 H new ATOM 0 HD12 LEU A 96 4.154 8.597 -14.996 1.00 0.00 H new ATOM 0 HD13 LEU A 96 3.181 8.579 -13.506 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.509 9.323 -14.938 1.00 0.00 H new ATOM 0 HD22 LEU A 96 1.031 10.122 -13.436 1.00 0.00 H new ATOM 0 HD23 LEU A 96 0.674 11.094 -14.883 1.00 0.00 H new ATOM 1429 N ASP A 97 5.327 12.948 -13.229 1.00 0.00 N ATOM 1430 CA ASP A 97 5.957 14.173 -12.767 1.00 0.00 C ATOM 1431 C ASP A 97 6.121 15.134 -13.947 1.00 0.00 C ATOM 1432 O ASP A 97 6.995 16.000 -13.930 1.00 0.00 O ATOM 1433 CB ASP A 97 7.346 13.894 -12.189 1.00 0.00 C ATOM 1434 CG ASP A 97 7.554 14.367 -10.749 1.00 0.00 C ATOM 1435 OD1 ASP A 97 6.914 13.769 -9.857 1.00 0.00 O ATOM 1436 OD2 ASP A 97 8.348 15.316 -10.572 1.00 0.00 O ATOM 0 H ASP A 97 5.475 12.738 -14.216 1.00 0.00 H new ATOM 0 HA ASP A 97 5.324 14.606 -11.993 1.00 0.00 H new ATOM 0 HB2 ASP A 97 7.533 12.821 -12.234 1.00 0.00 H new ATOM 0 HB3 ASP A 97 8.090 14.374 -12.824 1.00 0.00 H new ATOM 1441 N SER A 98 5.266 14.948 -14.942 1.00 0.00 N ATOM 1442 CA SER A 98 5.305 15.788 -16.128 1.00 0.00 C ATOM 1443 C SER A 98 6.746 15.929 -16.622 1.00 0.00 C ATOM 1444 O SER A 98 7.568 15.037 -16.415 1.00 0.00 O ATOM 1445 CB SER A 98 4.703 17.166 -15.847 1.00 0.00 C ATOM 1446 OG SER A 98 4.561 17.939 -17.036 1.00 0.00 O ATOM 0 H SER A 98 4.543 14.229 -14.952 1.00 0.00 H new ATOM 0 HA SER A 98 4.706 15.312 -16.904 1.00 0.00 H new ATOM 0 HB2 SER A 98 3.728 17.046 -15.374 1.00 0.00 H new ATOM 0 HB3 SER A 98 5.337 17.701 -15.140 1.00 0.00 H new ATOM 0 HG SER A 98 4.172 18.811 -16.815 1.00 0.00 H new ATOM 1452 N THR A 99 7.010 17.057 -17.266 1.00 0.00 N ATOM 1453 CA THR A 99 8.337 17.326 -17.791 1.00 0.00 C ATOM 1454 C THR A 99 8.881 18.637 -17.220 1.00 0.00 C ATOM 1455 O THR A 99 8.112 19.529 -16.865 1.00 0.00 O ATOM 1456 CB THR A 99 8.252 17.318 -19.319 1.00 0.00 C ATOM 1457 OG1 THR A 99 9.603 17.475 -19.743 1.00 0.00 O ATOM 1458 CG2 THR A 99 7.541 18.555 -19.872 1.00 0.00 C ATOM 0 H THR A 99 6.327 17.795 -17.436 1.00 0.00 H new ATOM 0 HA THR A 99 9.046 16.556 -17.486 1.00 0.00 H new ATOM 0 HB THR A 99 7.728 16.421 -19.649 1.00 0.00 H new ATOM 0 HG1 THR A 99 9.640 17.479 -20.722 1.00 0.00 H new ATOM 0 HG21 THR A 99 7.508 18.500 -20.960 1.00 0.00 H new ATOM 0 HG22 THR A 99 6.525 18.597 -19.480 1.00 0.00 H new ATOM 0 HG23 THR A 99 8.083 19.451 -19.571 1.00 0.00 H new ATOM 1466 N SER A 100 10.202 18.712 -17.150 1.00 0.00 N ATOM 1467 CA SER A 100 10.857 19.899 -16.628 1.00 0.00 C ATOM 1468 C SER A 100 11.972 20.342 -17.578 1.00 0.00 C ATOM 1469 O SER A 100 12.591 19.513 -18.243 1.00 0.00 O ATOM 1470 CB SER A 100 11.422 19.646 -15.228 1.00 0.00 C ATOM 1471 OG SER A 100 11.291 20.788 -14.386 1.00 0.00 O ATOM 0 H SER A 100 10.836 17.970 -17.446 1.00 0.00 H new ATOM 0 HA SER A 100 10.115 20.694 -16.553 1.00 0.00 H new ATOM 0 HB2 SER A 100 10.904 18.800 -14.775 1.00 0.00 H new ATOM 0 HB3 SER A 100 12.474 19.371 -15.306 1.00 0.00 H new ATOM 0 HG SER A 100 11.661 20.586 -13.501 1.00 0.00 H new ATOM 1477 N SER A 101 12.194 21.647 -17.610 1.00 0.00 N ATOM 1478 CA SER A 101 13.224 22.210 -18.468 1.00 0.00 C ATOM 1479 C SER A 101 13.352 23.713 -18.213 1.00 0.00 C ATOM 1480 O SER A 101 12.515 24.496 -18.659 1.00 0.00 O ATOM 1481 CB SER A 101 12.917 21.946 -19.943 1.00 0.00 C ATOM 1482 OG SER A 101 13.929 21.160 -20.567 1.00 0.00 O ATOM 0 H SER A 101 11.679 22.331 -17.056 1.00 0.00 H new ATOM 0 HA SER A 101 14.171 21.725 -18.230 1.00 0.00 H new ATOM 0 HB2 SER A 101 11.958 21.435 -20.028 1.00 0.00 H new ATOM 0 HB3 SER A 101 12.820 22.896 -20.469 1.00 0.00 H new ATOM 0 HG SER A 101 13.695 21.012 -21.507 1.00 0.00 H new ATOM 1488 N MET A 102 14.409 24.071 -17.498 1.00 0.00 N ATOM 1489 CA MET A 102 14.658 25.467 -17.179 1.00 0.00 C ATOM 1490 C MET A 102 15.928 25.968 -17.869 1.00 0.00 C ATOM 1491 O MET A 102 17.037 25.680 -17.421 1.00 0.00 O ATOM 1492 CB MET A 102 14.802 25.627 -15.664 1.00 0.00 C ATOM 1493 CG MET A 102 14.160 26.930 -15.187 1.00 0.00 C ATOM 1494 SD MET A 102 15.424 28.134 -14.816 1.00 0.00 S ATOM 1495 CE MET A 102 15.154 29.289 -16.150 1.00 0.00 C ATOM 0 H MET A 102 15.102 23.419 -17.131 1.00 0.00 H new ATOM 0 HA MET A 102 13.815 26.058 -17.537 1.00 0.00 H new ATOM 0 HB2 MET A 102 14.335 24.781 -15.159 1.00 0.00 H new ATOM 0 HB3 MET A 102 15.858 25.617 -15.392 1.00 0.00 H new ATOM 0 HG2 MET A 102 13.491 27.318 -15.955 1.00 0.00 H new ATOM 0 HG3 MET A 102 13.553 26.743 -14.301 1.00 0.00 H new ATOM 0 HE1 MET A 102 15.865 30.111 -16.069 1.00 0.00 H new ATOM 0 HE2 MET A 102 15.293 28.781 -17.105 1.00 0.00 H new ATOM 0 HE3 MET A 102 14.139 29.681 -16.092 1.00 0.00 H new ATOM 1505 N HIS A 103 15.724 26.710 -18.947 1.00 0.00 N ATOM 1506 CA HIS A 103 16.839 27.255 -19.703 1.00 0.00 C ATOM 1507 C HIS A 103 16.331 28.329 -20.666 1.00 0.00 C ATOM 1508 O HIS A 103 15.165 28.314 -21.059 1.00 0.00 O ATOM 1509 CB HIS A 103 17.610 26.140 -20.413 1.00 0.00 C ATOM 1510 CG HIS A 103 19.061 26.042 -20.006 1.00 0.00 C ATOM 1511 ND1 HIS A 103 19.978 27.050 -20.249 1.00 0.00 N ATOM 1512 CD2 HIS A 103 19.744 25.046 -19.370 1.00 0.00 C ATOM 1513 CE1 HIS A 103 21.155 26.667 -19.777 1.00 0.00 C ATOM 1514 NE2 HIS A 103 21.008 25.425 -19.234 1.00 0.00 N ATOM 0 H HIS A 103 14.803 26.947 -19.315 1.00 0.00 H new ATOM 0 HA HIS A 103 17.545 27.731 -19.023 1.00 0.00 H new ATOM 0 HB2 HIS A 103 17.121 25.187 -20.209 1.00 0.00 H new ATOM 0 HB3 HIS A 103 17.555 26.303 -21.489 1.00 0.00 H new ATOM 0 HD2 HIS A 103 19.326 24.108 -19.034 1.00 0.00 H new ATOM 0 HE1 HIS A 103 22.071 27.238 -19.816 1.00 0.00 H new ATOM 0 HE2 HIS A 103 21.748 24.877 -18.795 1.00 0.00 H new ATOM 1522 N ASN A 104 17.230 29.236 -21.018 1.00 0.00 N ATOM 1523 CA ASN A 104 16.887 30.317 -21.927 1.00 0.00 C ATOM 1524 C ASN A 104 18.045 30.545 -22.900 1.00 0.00 C ATOM 1525 O ASN A 104 17.853 30.523 -24.115 1.00 0.00 O ATOM 1526 CB ASN A 104 16.644 31.621 -21.166 1.00 0.00 C ATOM 1527 CG ASN A 104 15.227 32.144 -21.411 1.00 0.00 C ATOM 1528 OD1 ASN A 104 14.300 31.397 -21.680 1.00 0.00 O ATOM 1529 ND2 ASN A 104 15.111 33.464 -21.304 1.00 0.00 N ATOM 0 H ASN A 104 18.196 29.245 -20.690 1.00 0.00 H new ATOM 0 HA ASN A 104 15.978 30.036 -22.458 1.00 0.00 H new ATOM 0 HB2 ASN A 104 16.795 31.457 -20.099 1.00 0.00 H new ATOM 0 HB3 ASN A 104 17.371 32.370 -21.480 1.00 0.00 H new ATOM 0 HD21 ASN A 104 14.205 33.910 -21.450 1.00 0.00 H new ATOM 0 HD22 ASN A 104 15.928 34.031 -21.076 1.00 0.00 H new ATOM 1536 N LYS A 105 19.221 30.760 -22.330 1.00 0.00 N ATOM 1537 CA LYS A 105 20.411 30.993 -23.132 1.00 0.00 C ATOM 1538 C LYS A 105 20.244 32.295 -23.917 1.00 0.00 C ATOM 1539 O LYS A 105 19.293 32.446 -24.682 1.00 0.00 O ATOM 1540 CB LYS A 105 20.709 29.778 -24.012 1.00 0.00 C ATOM 1541 CG LYS A 105 22.208 29.664 -24.300 1.00 0.00 C ATOM 1542 CD LYS A 105 22.499 28.487 -25.232 1.00 0.00 C ATOM 1543 CE LYS A 105 23.938 27.994 -25.059 1.00 0.00 C ATOM 1544 NZ LYS A 105 24.273 26.997 -26.101 1.00 0.00 N ATOM 0 H LYS A 105 19.376 30.778 -21.322 1.00 0.00 H new ATOM 0 HA LYS A 105 21.285 31.116 -22.492 1.00 0.00 H new ATOM 0 HB2 LYS A 105 20.360 28.872 -23.517 1.00 0.00 H new ATOM 0 HB3 LYS A 105 20.160 29.860 -24.950 1.00 0.00 H new ATOM 0 HG2 LYS A 105 22.566 30.588 -24.753 1.00 0.00 H new ATOM 0 HG3 LYS A 105 22.753 29.535 -23.365 1.00 0.00 H new ATOM 0 HD2 LYS A 105 21.804 27.673 -25.024 1.00 0.00 H new ATOM 0 HD3 LYS A 105 22.336 28.789 -26.267 1.00 0.00 H new ATOM 0 HE2 LYS A 105 24.627 28.837 -25.118 1.00 0.00 H new ATOM 0 HE3 LYS A 105 24.061 27.551 -24.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 25.252 26.673 -25.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 23.627 26.186 -26.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 24.176 27.431 -27.041 1.00 0.00 H new ATOM 1558 N SER A 106 21.184 33.204 -23.701 1.00 0.00 N ATOM 1559 CA SER A 106 21.153 34.489 -24.379 1.00 0.00 C ATOM 1560 C SER A 106 22.527 34.798 -24.976 1.00 0.00 C ATOM 1561 O SER A 106 23.401 35.329 -24.291 1.00 0.00 O ATOM 1562 CB SER A 106 20.726 35.605 -23.424 1.00 0.00 C ATOM 1563 OG SER A 106 19.548 36.269 -23.873 1.00 0.00 O ATOM 0 H SER A 106 21.972 33.076 -23.066 1.00 0.00 H new ATOM 0 HA SER A 106 20.418 34.435 -25.183 1.00 0.00 H new ATOM 0 HB2 SER A 106 20.551 35.187 -22.433 1.00 0.00 H new ATOM 0 HB3 SER A 106 21.535 36.329 -23.327 1.00 0.00 H new ATOM 0 HG SER A 106 19.307 36.973 -23.236 1.00 0.00 H new ATOM 1569 N GLY A 107 22.676 34.453 -26.246 1.00 0.00 N ATOM 1570 CA GLY A 107 23.929 34.687 -26.944 1.00 0.00 C ATOM 1571 C GLY A 107 23.691 35.404 -28.274 1.00 0.00 C ATOM 1572 O GLY A 107 23.365 34.770 -29.276 1.00 0.00 O ATOM 0 H GLY A 107 21.949 34.013 -26.811 1.00 0.00 H new ATOM 0 HA2 GLY A 107 24.592 35.285 -26.318 1.00 0.00 H new ATOM 0 HA3 GLY A 107 24.432 33.737 -27.124 1.00 0.00 H new ATOM 1576 N PRO A 108 23.867 36.753 -28.239 1.00 0.00 N ATOM 1577 CA PRO A 108 23.675 37.563 -29.430 1.00 0.00 C ATOM 1578 C PRO A 108 24.847 37.400 -30.399 1.00 0.00 C ATOM 1579 O PRO A 108 24.644 37.171 -31.591 1.00 0.00 O ATOM 1580 CB PRO A 108 23.522 38.986 -28.917 1.00 0.00 C ATOM 1581 CG PRO A 108 24.095 38.985 -27.509 1.00 0.00 C ATOM 1582 CD PRO A 108 24.253 37.538 -27.071 1.00 0.00 C ATOM 0 HA PRO A 108 22.799 37.264 -30.005 1.00 0.00 H new ATOM 0 HB2 PRO A 108 24.055 39.691 -29.555 1.00 0.00 H new ATOM 0 HB3 PRO A 108 22.475 39.289 -28.912 1.00 0.00 H new ATOM 0 HG2 PRO A 108 25.057 39.497 -27.488 1.00 0.00 H new ATOM 0 HG3 PRO A 108 23.434 39.520 -26.827 1.00 0.00 H new ATOM 0 HD2 PRO A 108 25.279 37.325 -26.772 1.00 0.00 H new ATOM 0 HD3 PRO A 108 23.618 37.312 -26.214 1.00 0.00 H new ATOM 1590 N SER A 109 26.047 37.525 -29.853 1.00 0.00 N ATOM 1591 CA SER A 109 27.252 37.394 -30.655 1.00 0.00 C ATOM 1592 C SER A 109 27.305 38.505 -31.705 1.00 0.00 C ATOM 1593 O SER A 109 26.298 39.161 -31.971 1.00 0.00 O ATOM 1594 CB SER A 109 27.318 36.023 -31.329 1.00 0.00 C ATOM 1595 OG SER A 109 27.279 34.959 -30.382 1.00 0.00 O ATOM 0 H SER A 109 26.211 37.716 -28.865 1.00 0.00 H new ATOM 0 HA SER A 109 28.114 37.486 -29.995 1.00 0.00 H new ATOM 0 HB2 SER A 109 26.484 35.920 -32.024 1.00 0.00 H new ATOM 0 HB3 SER A 109 28.233 35.952 -31.917 1.00 0.00 H new ATOM 0 HG SER A 109 27.322 34.100 -30.853 1.00 0.00 H new ATOM 1601 N SER A 110 28.488 38.684 -32.272 1.00 0.00 N ATOM 1602 CA SER A 110 28.686 39.705 -33.288 1.00 0.00 C ATOM 1603 C SER A 110 28.997 39.050 -34.635 1.00 0.00 C ATOM 1604 O SER A 110 30.039 38.417 -34.796 1.00 0.00 O ATOM 1605 CB SER A 110 29.809 40.665 -32.892 1.00 0.00 C ATOM 1606 OG SER A 110 31.092 40.168 -33.264 1.00 0.00 O ATOM 0 H SER A 110 29.321 38.139 -32.048 1.00 0.00 H new ATOM 0 HA SER A 110 27.766 40.282 -33.377 1.00 0.00 H new ATOM 0 HB2 SER A 110 29.643 41.632 -33.366 1.00 0.00 H new ATOM 0 HB3 SER A 110 29.782 40.830 -31.815 1.00 0.00 H new ATOM 0 HG SER A 110 31.006 39.244 -33.578 1.00 0.00 H new ATOM 1612 N GLY A 111 28.073 39.223 -35.568 1.00 0.00 N ATOM 1613 CA GLY A 111 28.235 38.657 -36.897 1.00 0.00 C ATOM 1614 C GLY A 111 28.382 39.759 -37.948 1.00 0.00 C ATOM 1615 O GLY A 111 29.043 40.768 -37.708 1.00 0.00 O ATOM 0 H GLY A 111 27.209 39.747 -35.430 1.00 0.00 H new ATOM 0 HA2 GLY A 111 29.113 38.011 -36.917 1.00 0.00 H new ATOM 0 HA3 GLY A 111 27.375 38.032 -37.138 1.00 0.00 H new TER 1619 GLY A 111