USER MOD reduce.3.24.130724 H: found=0, std=0, add=805, rem=0, adj=32 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= -0.135 X(o=-0.14,f=0.28) USER MOD Set 1.2: A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -111:sc= 0.0551 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 26:sc= 0.409 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= -0.908 USER MOD Single : A 20 HIS : no HD1:sc= -0.161 X(o=-0.16,f=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.716! USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 THR OG1 : rot 92:sc= -0.0372 USER MOD Single : A 41 HIS : no HD1:sc= -0.27 X(o=-0.27,f=-0.52) USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 47 CYS SG : rot -93:sc= -1.27 USER MOD Single : A 48 SER OG : rot 22:sc= 0.00927 USER MOD Single : A 50 SER OG : rot 97:sc= 0.0332 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot -76:sc= 0.803 USER MOD Single : A 64 GLN : amide:sc= -0.131 K(o=-0.13,f=-2.7!) USER MOD Single : A 68 CYS SG : rot -130:sc= -2.33 USER MOD Single : A 69 LYS NZ :NH3+ -117:sc= 0.558 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.0459 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl 148:sc= -0.775 (180deg=-1.68!) 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 -144:sc= -4.41! (180deg=-6.63!) USER MOD Single : A 91 LYS NZ :NH3+ -144:sc= 0 (180deg=-0.767) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot -47:sc= 1 USER MOD Single : A 100 SER OG : rot 64:sc= 0.0584 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= -0.541 X(o=-0.54,f=-0.38) USER MOD Single : A 104 ASN : amide:sc= 0.445 K(o=0.44,f=-3.7!) 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 48:sc= 0.995 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.913 16.694 -23.924 1.00 0.00 N ATOM 2 CA GLY A 1 -19.862 17.069 -22.994 1.00 0.00 C ATOM 3 C GLY A 1 -18.655 17.648 -23.735 1.00 0.00 C ATOM 4 O GLY A 1 -18.422 17.324 -24.898 1.00 0.00 O ATOM 0 H1 GLY A 1 -21.723 17.335 -23.809 1.00 0.00 H new ATOM 0 H2 GLY A 1 -20.555 16.760 -24.898 1.00 0.00 H new ATOM 0 H3 GLY A 1 -21.214 15.717 -23.732 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -20.244 17.803 -22.285 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -19.555 16.197 -22.416 1.00 0.00 H new ATOM 8 N SER A 2 -17.919 18.495 -23.030 1.00 0.00 N ATOM 9 CA SER A 2 -16.742 19.122 -23.606 1.00 0.00 C ATOM 10 C SER A 2 -15.610 19.155 -22.578 1.00 0.00 C ATOM 11 O SER A 2 -15.423 20.155 -21.886 1.00 0.00 O ATOM 12 CB SER A 2 -17.056 20.538 -24.095 1.00 0.00 C ATOM 13 OG SER A 2 -15.963 21.110 -24.810 1.00 0.00 O ATOM 0 H SER A 2 -18.115 18.761 -22.065 1.00 0.00 H new ATOM 0 HA SER A 2 -16.426 18.531 -24.466 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.936 20.513 -24.737 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.302 21.170 -23.242 1.00 0.00 H new ATOM 0 HG SER A 2 -16.203 22.013 -25.107 1.00 0.00 H new ATOM 19 N SER A 3 -14.884 18.048 -22.509 1.00 0.00 N ATOM 20 CA SER A 3 -13.775 17.938 -21.576 1.00 0.00 C ATOM 21 C SER A 3 -12.513 17.490 -22.315 1.00 0.00 C ATOM 22 O SER A 3 -12.495 16.426 -22.933 1.00 0.00 O ATOM 23 CB SER A 3 -14.103 16.961 -20.445 1.00 0.00 C ATOM 24 OG SER A 3 -14.301 15.634 -20.925 1.00 0.00 O ATOM 0 H SER A 3 -15.042 17.220 -23.084 1.00 0.00 H new ATOM 0 HA SER A 3 -13.600 18.919 -21.134 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.293 16.965 -19.716 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.001 17.296 -19.926 1.00 0.00 H new ATOM 0 HG SER A 3 -13.803 15.511 -21.760 1.00 0.00 H new ATOM 30 N GLY A 4 -11.487 18.323 -22.227 1.00 0.00 N ATOM 31 CA GLY A 4 -10.223 18.026 -22.880 1.00 0.00 C ATOM 32 C GLY A 4 -9.213 19.154 -22.658 1.00 0.00 C ATOM 33 O GLY A 4 -9.456 20.295 -23.047 1.00 0.00 O ATOM 0 H GLY A 4 -11.505 19.204 -21.713 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.820 17.091 -22.492 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.386 17.884 -23.948 1.00 0.00 H new ATOM 37 N SER A 5 -8.101 18.795 -22.033 1.00 0.00 N ATOM 38 CA SER A 5 -7.054 19.763 -21.755 1.00 0.00 C ATOM 39 C SER A 5 -5.719 19.044 -21.547 1.00 0.00 C ATOM 40 O SER A 5 -5.684 17.931 -21.025 1.00 0.00 O ATOM 41 CB SER A 5 -7.397 20.609 -20.527 1.00 0.00 C ATOM 42 OG SER A 5 -7.228 22.002 -20.774 1.00 0.00 O ATOM 0 H SER A 5 -7.903 17.848 -21.711 1.00 0.00 H new ATOM 0 HA SER A 5 -6.971 20.432 -22.612 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.428 20.416 -20.230 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.764 20.309 -19.692 1.00 0.00 H new ATOM 0 HG SER A 5 -7.459 22.508 -19.967 1.00 0.00 H new ATOM 48 N SER A 6 -4.653 19.709 -21.968 1.00 0.00 N ATOM 49 CA SER A 6 -3.320 19.147 -21.835 1.00 0.00 C ATOM 50 C SER A 6 -2.814 19.333 -20.403 1.00 0.00 C ATOM 51 O SER A 6 -3.310 20.189 -19.672 1.00 0.00 O ATOM 52 CB SER A 6 -2.350 19.790 -22.828 1.00 0.00 C ATOM 53 OG SER A 6 -2.722 19.535 -24.179 1.00 0.00 O ATOM 0 H SER A 6 -4.686 20.632 -22.401 1.00 0.00 H new ATOM 0 HA SER A 6 -3.374 18.082 -22.059 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.318 20.866 -22.658 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.344 19.409 -22.651 1.00 0.00 H new ATOM 0 HG SER A 6 -2.079 19.964 -24.782 1.00 0.00 H new ATOM 59 N GLY A 7 -1.833 18.518 -20.045 1.00 0.00 N ATOM 60 CA GLY A 7 -1.255 18.582 -18.714 1.00 0.00 C ATOM 61 C GLY A 7 -0.295 19.767 -18.589 1.00 0.00 C ATOM 62 O GLY A 7 0.624 19.913 -19.394 1.00 0.00 O ATOM 0 H GLY A 7 -1.424 17.809 -20.654 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.049 18.673 -17.973 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.724 17.655 -18.500 1.00 0.00 H new ATOM 66 N SER A 8 -0.540 20.582 -17.574 1.00 0.00 N ATOM 67 CA SER A 8 0.291 21.749 -17.334 1.00 0.00 C ATOM 68 C SER A 8 0.549 21.909 -15.834 1.00 0.00 C ATOM 69 O SER A 8 1.681 22.145 -15.416 1.00 0.00 O ATOM 70 CB SER A 8 -0.359 23.014 -17.898 1.00 0.00 C ATOM 71 OG SER A 8 -1.714 23.150 -17.480 1.00 0.00 O ATOM 0 H SER A 8 -1.302 20.457 -16.908 1.00 0.00 H new ATOM 0 HA SER A 8 1.242 21.602 -17.846 1.00 0.00 H new ATOM 0 HB2 SER A 8 0.209 23.887 -17.577 1.00 0.00 H new ATOM 0 HB3 SER A 8 -0.316 22.989 -18.987 1.00 0.00 H new ATOM 0 HG SER A 8 -2.093 23.970 -17.860 1.00 0.00 H new ATOM 77 N ALA A 9 -0.522 21.773 -15.065 1.00 0.00 N ATOM 78 CA ALA A 9 -0.426 21.899 -13.620 1.00 0.00 C ATOM 79 C ALA A 9 -1.195 20.753 -12.961 1.00 0.00 C ATOM 80 O ALA A 9 -1.781 19.918 -13.647 1.00 0.00 O ATOM 81 CB ALA A 9 -0.946 23.273 -13.192 1.00 0.00 C ATOM 0 H ALA A 9 -1.460 21.577 -15.415 1.00 0.00 H new ATOM 0 HA ALA A 9 0.612 21.828 -13.296 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.874 23.368 -12.109 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -0.348 24.052 -13.665 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -1.987 23.379 -13.497 1.00 0.00 H new ATOM 87 N SER A 10 -1.169 20.751 -11.636 1.00 0.00 N ATOM 88 CA SER A 10 -1.857 19.721 -10.876 1.00 0.00 C ATOM 89 C SER A 10 -1.233 18.354 -11.164 1.00 0.00 C ATOM 90 O SER A 10 -1.183 17.920 -12.314 1.00 0.00 O ATOM 91 CB SER A 10 -3.351 19.702 -11.201 1.00 0.00 C ATOM 92 OG SER A 10 -4.077 20.660 -10.435 1.00 0.00 O ATOM 0 H SER A 10 -0.683 21.446 -11.070 1.00 0.00 H new ATOM 0 HA SER A 10 -1.747 19.947 -9.815 1.00 0.00 H new ATOM 0 HB2 SER A 10 -3.494 19.904 -12.263 1.00 0.00 H new ATOM 0 HB3 SER A 10 -3.751 18.706 -11.009 1.00 0.00 H new ATOM 0 HG SER A 10 -5.027 20.617 -10.673 1.00 0.00 H new ATOM 98 N LYS A 11 -0.774 17.712 -10.100 1.00 0.00 N ATOM 99 CA LYS A 11 -0.156 16.403 -10.224 1.00 0.00 C ATOM 100 C LYS A 11 -0.943 15.566 -11.234 1.00 0.00 C ATOM 101 O LYS A 11 -2.161 15.436 -11.123 1.00 0.00 O ATOM 102 CB LYS A 11 -0.020 15.742 -8.851 1.00 0.00 C ATOM 103 CG LYS A 11 1.008 16.476 -7.988 1.00 0.00 C ATOM 104 CD LYS A 11 1.122 15.832 -6.604 1.00 0.00 C ATOM 105 CE LYS A 11 2.586 15.583 -6.235 1.00 0.00 C ATOM 106 NZ LYS A 11 2.709 14.368 -5.398 1.00 0.00 N ATOM 0 H LYS A 11 -0.818 18.074 -9.147 1.00 0.00 H new ATOM 0 HA LYS A 11 0.859 16.496 -10.609 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.987 15.739 -8.348 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.279 14.701 -8.973 1.00 0.00 H new ATOM 0 HG2 LYS A 11 1.980 16.461 -8.481 1.00 0.00 H new ATOM 0 HG3 LYS A 11 0.720 17.522 -7.884 1.00 0.00 H new ATOM 0 HD2 LYS A 11 0.660 16.479 -5.858 1.00 0.00 H new ATOM 0 HD3 LYS A 11 0.574 14.890 -6.591 1.00 0.00 H new ATOM 0 HE2 LYS A 11 3.182 15.470 -7.141 1.00 0.00 H new ATOM 0 HE3 LYS A 11 2.984 16.444 -5.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 3.708 14.213 -5.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 2.156 14.490 -4.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 2.349 13.546 -5.924 1.00 0.00 H new ATOM 120 N ARG A 12 -0.215 15.020 -12.198 1.00 0.00 N ATOM 121 CA ARG A 12 -0.830 14.200 -13.227 1.00 0.00 C ATOM 122 C ARG A 12 -0.875 12.736 -12.783 1.00 0.00 C ATOM 123 O ARG A 12 0.106 12.213 -12.256 1.00 0.00 O ATOM 124 CB ARG A 12 -0.061 14.302 -14.546 1.00 0.00 C ATOM 125 CG ARG A 12 -1.020 14.388 -15.735 1.00 0.00 C ATOM 126 CD ARG A 12 -1.239 13.010 -16.363 1.00 0.00 C ATOM 127 NE ARG A 12 -2.613 12.538 -16.081 1.00 0.00 N ATOM 128 CZ ARG A 12 -3.677 12.826 -16.842 1.00 0.00 C ATOM 129 NH1 ARG A 12 -3.532 13.586 -17.936 1.00 0.00 N ATOM 130 NH2 ARG A 12 -4.886 12.354 -16.509 1.00 0.00 N ATOM 0 H ARG A 12 0.795 15.130 -12.287 1.00 0.00 H new ATOM 0 HA ARG A 12 -1.844 14.568 -13.382 1.00 0.00 H new ATOM 0 HB2 ARG A 12 0.582 15.182 -14.529 1.00 0.00 H new ATOM 0 HB3 ARG A 12 0.589 13.434 -14.660 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -1.975 14.798 -15.408 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -0.618 15.073 -16.482 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -1.077 13.062 -17.440 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -0.513 12.301 -15.966 1.00 0.00 H new ATOM 0 HE ARG A 12 -2.759 11.957 -15.255 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -2.611 13.945 -18.189 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -4.342 13.805 -18.516 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -4.996 11.776 -15.676 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -5.696 12.573 -17.088 1.00 0.00 H new ATOM 144 N TRP A 13 -2.023 12.117 -13.011 1.00 0.00 N ATOM 145 CA TRP A 13 -2.209 10.724 -12.641 1.00 0.00 C ATOM 146 C TRP A 13 -2.602 9.948 -13.900 1.00 0.00 C ATOM 147 O TRP A 13 -3.332 10.461 -14.747 1.00 0.00 O ATOM 148 CB TRP A 13 -3.233 10.588 -11.512 1.00 0.00 C ATOM 149 CG TRP A 13 -2.793 11.228 -10.193 1.00 0.00 C ATOM 150 CD1 TRP A 13 -2.733 12.531 -9.888 1.00 0.00 C ATOM 151 CD2 TRP A 13 -2.352 10.535 -9.007 1.00 0.00 C ATOM 152 NE1 TRP A 13 -2.287 12.728 -8.597 1.00 0.00 N ATOM 153 CE2 TRP A 13 -2.048 11.476 -8.044 1.00 0.00 C ATOM 154 CE3 TRP A 13 -2.215 9.158 -8.755 1.00 0.00 C ATOM 155 CZ2 TRP A 13 -1.588 11.142 -6.765 1.00 0.00 C ATOM 156 CZ3 TRP A 13 -1.754 8.842 -7.472 1.00 0.00 C ATOM 157 CH2 TRP A 13 -1.443 9.777 -6.491 1.00 0.00 C ATOM 0 H TRP A 13 -2.835 12.554 -13.448 1.00 0.00 H new ATOM 0 HA TRP A 13 -1.284 10.304 -12.247 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -4.171 11.043 -11.830 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -3.433 9.530 -11.342 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -3.000 13.327 -10.567 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -2.157 13.627 -8.134 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -2.447 8.404 -9.493 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -1.357 11.897 -6.029 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -1.631 7.798 -7.226 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -1.091 9.452 -5.523 1.00 0.00 H new ATOM 168 N SER A 14 -2.100 8.725 -13.984 1.00 0.00 N ATOM 169 CA SER A 14 -2.389 7.874 -15.125 1.00 0.00 C ATOM 170 C SER A 14 -3.761 7.218 -14.955 1.00 0.00 C ATOM 171 O SER A 14 -4.429 7.423 -13.943 1.00 0.00 O ATOM 172 CB SER A 14 -1.308 6.805 -15.303 1.00 0.00 C ATOM 173 OG SER A 14 -0.707 6.863 -16.594 1.00 0.00 O ATOM 0 H SER A 14 -1.495 8.303 -13.280 1.00 0.00 H new ATOM 0 HA SER A 14 -2.399 8.495 -16.021 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.541 6.935 -14.540 1.00 0.00 H new ATOM 0 HB3 SER A 14 -1.745 5.818 -15.151 1.00 0.00 H new ATOM 0 HG SER A 14 -0.022 6.166 -16.667 1.00 0.00 H new ATOM 179 N PRO A 15 -4.150 6.423 -15.987 1.00 0.00 N ATOM 180 CA PRO A 15 -5.430 5.736 -15.962 1.00 0.00 C ATOM 181 C PRO A 15 -5.391 4.540 -15.009 1.00 0.00 C ATOM 182 O PRO A 15 -4.337 3.942 -14.800 1.00 0.00 O ATOM 183 CB PRO A 15 -5.692 5.338 -17.405 1.00 0.00 C ATOM 184 CG PRO A 15 -4.345 5.402 -18.106 1.00 0.00 C ATOM 185 CD PRO A 15 -3.384 6.157 -17.202 1.00 0.00 C ATOM 0 HA PRO A 15 -6.237 6.364 -15.584 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -6.115 4.335 -17.463 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -6.408 6.014 -17.873 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -3.971 4.398 -18.307 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -4.439 5.905 -19.068 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -2.494 5.565 -16.988 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -3.046 7.083 -17.668 1.00 0.00 H new ATOM 193 N PRO A 16 -6.584 4.218 -14.441 1.00 0.00 N ATOM 194 CA PRO A 16 -6.697 3.103 -13.516 1.00 0.00 C ATOM 195 C PRO A 16 -6.650 1.767 -14.259 1.00 0.00 C ATOM 196 O PRO A 16 -7.388 1.562 -15.222 1.00 0.00 O ATOM 197 CB PRO A 16 -8.009 3.331 -12.784 1.00 0.00 C ATOM 198 CG PRO A 16 -8.804 4.300 -13.644 1.00 0.00 C ATOM 199 CD PRO A 16 -7.854 4.904 -14.665 1.00 0.00 C ATOM 0 HA PRO A 16 -5.867 3.055 -12.811 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -8.549 2.394 -12.650 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -7.835 3.743 -11.790 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -9.623 3.783 -14.144 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -9.249 5.081 -13.027 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -8.214 4.748 -15.682 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -7.753 5.980 -14.524 1.00 0.00 H new ATOM 207 N ARG A 17 -5.776 0.892 -13.783 1.00 0.00 N ATOM 208 CA ARG A 17 -5.624 -0.419 -14.391 1.00 0.00 C ATOM 209 C ARG A 17 -6.585 -1.419 -13.744 1.00 0.00 C ATOM 210 O ARG A 17 -7.132 -1.156 -12.674 1.00 0.00 O ATOM 211 CB ARG A 17 -4.190 -0.932 -14.242 1.00 0.00 C ATOM 212 CG ARG A 17 -3.822 -1.112 -12.768 1.00 0.00 C ATOM 213 CD ARG A 17 -2.441 -1.754 -12.622 1.00 0.00 C ATOM 214 NE ARG A 17 -1.392 -0.800 -13.046 1.00 0.00 N ATOM 215 CZ ARG A 17 -0.121 -0.843 -12.622 1.00 0.00 C ATOM 216 NH1 ARG A 17 0.266 -1.794 -11.761 1.00 0.00 N ATOM 217 NH2 ARG A 17 0.762 0.064 -13.060 1.00 0.00 N ATOM 0 H ARG A 17 -5.166 1.065 -12.984 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.855 -0.321 -15.452 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -4.084 -1.882 -14.766 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -3.499 -0.231 -14.710 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -3.832 -0.144 -12.266 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -4.570 -1.734 -12.276 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -2.277 -2.051 -11.586 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -2.386 -2.660 -13.226 1.00 0.00 H new ATOM 0 HE ARG A 17 -1.652 -0.064 -13.702 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -0.406 -2.485 -11.428 1.00 0.00 H new ATOM 0 HH12 ARG A 17 1.233 -1.827 -11.438 1.00 0.00 H new ATOM 0 HH21 ARG A 17 0.467 0.787 -13.716 1.00 0.00 H new ATOM 0 HH22 ARG A 17 1.729 0.031 -12.737 1.00 0.00 H new ATOM 231 N GLY A 18 -6.761 -2.545 -14.420 1.00 0.00 N ATOM 232 CA GLY A 18 -7.646 -3.585 -13.924 1.00 0.00 C ATOM 233 C GLY A 18 -6.859 -4.839 -13.540 1.00 0.00 C ATOM 234 O GLY A 18 -6.268 -5.492 -14.399 1.00 0.00 O ATOM 0 H GLY A 18 -6.306 -2.760 -15.307 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -8.195 -3.217 -13.058 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -8.384 -3.834 -14.687 1.00 0.00 H new ATOM 238 N ILE A 19 -6.875 -5.136 -12.249 1.00 0.00 N ATOM 239 CA ILE A 19 -6.169 -6.300 -11.741 1.00 0.00 C ATOM 240 C ILE A 19 -7.185 -7.368 -11.329 1.00 0.00 C ATOM 241 O ILE A 19 -8.315 -7.046 -10.965 1.00 0.00 O ATOM 242 CB ILE A 19 -5.211 -5.898 -10.618 1.00 0.00 C ATOM 243 CG1 ILE A 19 -4.431 -4.635 -10.990 1.00 0.00 C ATOM 244 CG2 ILE A 19 -4.282 -7.056 -10.248 1.00 0.00 C ATOM 245 CD1 ILE A 19 -3.345 -4.336 -9.954 1.00 0.00 C ATOM 0 H ILE A 19 -7.365 -4.591 -11.540 1.00 0.00 H new ATOM 0 HA ILE A 19 -5.545 -6.737 -12.521 1.00 0.00 H new ATOM 0 HB ILE A 19 -5.802 -5.664 -9.732 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -3.976 -4.760 -11.973 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.114 -3.789 -11.060 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.612 -6.743 -9.448 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.876 -7.906 -9.912 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.696 -7.345 -11.120 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.806 -3.434 -10.242 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.805 -4.187 -8.977 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.650 -5.174 -9.904 1.00 0.00 H new ATOM 257 N HIS A 20 -6.746 -8.616 -11.400 1.00 0.00 N ATOM 258 CA HIS A 20 -7.603 -9.732 -11.039 1.00 0.00 C ATOM 259 C HIS A 20 -6.814 -10.732 -10.192 1.00 0.00 C ATOM 260 O HIS A 20 -5.910 -11.399 -10.693 1.00 0.00 O ATOM 261 CB HIS A 20 -8.221 -10.368 -12.285 1.00 0.00 C ATOM 262 CG HIS A 20 -7.528 -9.993 -13.574 1.00 0.00 C ATOM 263 ND1 HIS A 20 -8.175 -9.347 -14.612 1.00 0.00 N ATOM 264 CD2 HIS A 20 -6.239 -10.179 -13.980 1.00 0.00 C ATOM 265 CE1 HIS A 20 -7.306 -9.158 -15.594 1.00 0.00 C ATOM 266 NE2 HIS A 20 -6.107 -9.675 -15.200 1.00 0.00 N ATOM 0 H HIS A 20 -5.808 -8.879 -11.702 1.00 0.00 H new ATOM 0 HA HIS A 20 -8.436 -9.374 -10.434 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -8.200 -11.452 -12.175 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -9.269 -10.074 -12.349 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -5.458 -10.656 -13.406 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -7.511 -8.679 -16.540 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -5.250 -9.674 -15.753 1.00 0.00 H new ATOM 274 N PHE A 21 -7.183 -10.805 -8.922 1.00 0.00 N ATOM 275 CA PHE A 21 -6.521 -11.712 -8.000 1.00 0.00 C ATOM 276 C PHE A 21 -7.429 -12.050 -6.816 1.00 0.00 C ATOM 277 O PHE A 21 -8.489 -11.448 -6.650 1.00 0.00 O ATOM 278 CB PHE A 21 -5.274 -10.993 -7.482 1.00 0.00 C ATOM 279 CG PHE A 21 -5.574 -9.712 -6.701 1.00 0.00 C ATOM 280 CD1 PHE A 21 -5.932 -8.579 -7.363 1.00 0.00 C ATOM 281 CD2 PHE A 21 -5.483 -9.707 -5.344 1.00 0.00 C ATOM 282 CE1 PHE A 21 -6.210 -7.391 -6.637 1.00 0.00 C ATOM 283 CE2 PHE A 21 -5.762 -8.518 -4.618 1.00 0.00 C ATOM 284 CZ PHE A 21 -6.119 -7.385 -5.280 1.00 0.00 C ATOM 0 H PHE A 21 -7.933 -10.250 -8.509 1.00 0.00 H new ATOM 0 HA PHE A 21 -6.272 -12.643 -8.509 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -4.714 -11.674 -6.841 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -4.630 -10.749 -8.327 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -6.005 -8.583 -8.441 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -5.199 -10.607 -4.818 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -6.494 -6.491 -7.163 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -5.691 -8.514 -3.540 1.00 0.00 H new ATOM 0 HZ PHE A 21 -6.330 -6.481 -4.728 1.00 0.00 H new ATOM 294 N THR A 22 -6.980 -13.012 -6.023 1.00 0.00 N ATOM 295 CA THR A 22 -7.739 -13.437 -4.859 1.00 0.00 C ATOM 296 C THR A 22 -7.002 -13.056 -3.573 1.00 0.00 C ATOM 297 O THR A 22 -6.006 -13.684 -3.215 1.00 0.00 O ATOM 298 CB THR A 22 -7.999 -14.939 -4.987 1.00 0.00 C ATOM 299 OG1 THR A 22 -9.155 -15.022 -5.817 1.00 0.00 O ATOM 300 CG2 THR A 22 -8.443 -15.572 -3.666 1.00 0.00 C ATOM 0 H THR A 22 -6.100 -13.509 -6.164 1.00 0.00 H new ATOM 0 HA THR A 22 -8.702 -12.928 -4.808 1.00 0.00 H new ATOM 0 HB THR A 22 -7.095 -15.434 -5.341 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.393 -15.963 -5.953 1.00 0.00 H new ATOM 0 HG21 THR A 22 -8.614 -16.638 -3.813 1.00 0.00 H new ATOM 0 HG22 THR A 22 -7.666 -15.429 -2.915 1.00 0.00 H new ATOM 0 HG23 THR A 22 -9.366 -15.100 -3.328 1.00 0.00 H new ATOM 308 N VAL A 23 -7.519 -12.029 -2.915 1.00 0.00 N ATOM 309 CA VAL A 23 -6.922 -11.557 -1.677 1.00 0.00 C ATOM 310 C VAL A 23 -6.481 -12.758 -0.838 1.00 0.00 C ATOM 311 O VAL A 23 -7.014 -13.856 -0.991 1.00 0.00 O ATOM 312 CB VAL A 23 -7.901 -10.640 -0.940 1.00 0.00 C ATOM 313 CG1 VAL A 23 -7.434 -10.378 0.493 1.00 0.00 C ATOM 314 CG2 VAL A 23 -8.102 -9.328 -1.701 1.00 0.00 C ATOM 0 H VAL A 23 -8.344 -11.511 -3.216 1.00 0.00 H new ATOM 0 HA VAL A 23 -6.033 -10.961 -1.885 1.00 0.00 H new ATOM 0 HB VAL A 23 -8.864 -11.148 -0.890 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -8.147 -9.724 0.994 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -7.367 -11.323 1.032 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.454 -9.900 0.475 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -8.802 -8.695 -1.156 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -7.146 -8.813 -1.797 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.501 -9.540 -2.693 1.00 0.00 H new ATOM 324 N GLU A 24 -5.511 -12.508 0.030 1.00 0.00 N ATOM 325 CA GLU A 24 -4.992 -13.555 0.893 1.00 0.00 C ATOM 326 C GLU A 24 -5.241 -13.205 2.361 1.00 0.00 C ATOM 327 O GLU A 24 -4.542 -12.368 2.931 1.00 0.00 O ATOM 328 CB GLU A 24 -3.503 -13.794 0.631 1.00 0.00 C ATOM 329 CG GLU A 24 -3.300 -14.772 -0.527 1.00 0.00 C ATOM 330 CD GLU A 24 -2.626 -16.059 -0.047 1.00 0.00 C ATOM 331 OE1 GLU A 24 -3.335 -16.869 0.588 1.00 0.00 O ATOM 332 OE2 GLU A 24 -1.416 -16.203 -0.325 1.00 0.00 O ATOM 0 H GLU A 24 -5.071 -11.596 0.154 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.520 -14.481 0.666 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.014 -12.847 0.402 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -3.030 -14.187 1.531 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.262 -15.009 -0.980 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -2.690 -14.304 -1.300 1.00 0.00 H new ATOM 339 N GLU A 25 -6.239 -13.862 2.932 1.00 0.00 N ATOM 340 CA GLU A 25 -6.589 -13.631 4.323 1.00 0.00 C ATOM 341 C GLU A 25 -5.644 -14.404 5.245 1.00 0.00 C ATOM 342 O GLU A 25 -6.091 -15.135 6.127 1.00 0.00 O ATOM 343 CB GLU A 25 -8.048 -14.008 4.592 1.00 0.00 C ATOM 344 CG GLU A 25 -8.296 -15.487 4.286 1.00 0.00 C ATOM 345 CD GLU A 25 -9.701 -15.908 4.722 1.00 0.00 C ATOM 346 OE1 GLU A 25 -10.660 -15.266 4.243 1.00 0.00 O ATOM 347 OE2 GLU A 25 -9.784 -16.863 5.525 1.00 0.00 O ATOM 0 H GLU A 25 -6.817 -14.555 2.456 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.479 -12.567 4.532 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -8.295 -13.802 5.633 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.706 -13.391 3.980 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -8.173 -15.667 3.218 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -7.553 -16.098 4.799 1.00 0.00 H new ATOM 354 N GLY A 26 -4.354 -14.217 5.008 1.00 0.00 N ATOM 355 CA GLY A 26 -3.341 -14.888 5.805 1.00 0.00 C ATOM 356 C GLY A 26 -1.943 -14.365 5.470 1.00 0.00 C ATOM 357 O GLY A 26 -1.110 -14.197 6.359 1.00 0.00 O ATOM 0 H GLY A 26 -3.987 -13.610 4.275 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.546 -14.734 6.864 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.384 -15.962 5.625 1.00 0.00 H new ATOM 361 N ASP A 27 -1.730 -14.120 4.185 1.00 0.00 N ATOM 362 CA ASP A 27 -0.447 -13.619 3.722 1.00 0.00 C ATOM 363 C ASP A 27 -0.646 -12.858 2.410 1.00 0.00 C ATOM 364 O ASP A 27 -0.516 -13.431 1.329 1.00 0.00 O ATOM 365 CB ASP A 27 0.530 -14.767 3.459 1.00 0.00 C ATOM 366 CG ASP A 27 1.923 -14.336 2.995 1.00 0.00 C ATOM 367 OD1 ASP A 27 2.243 -13.144 3.192 1.00 0.00 O ATOM 368 OD2 ASP A 27 2.636 -15.209 2.455 1.00 0.00 O ATOM 0 H ASP A 27 -2.424 -14.259 3.451 1.00 0.00 H new ATOM 0 HA ASP A 27 -0.039 -12.969 4.496 1.00 0.00 H new ATOM 0 HB2 ASP A 27 0.633 -15.353 4.372 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.099 -15.425 2.704 1.00 0.00 H new ATOM 373 N LEU A 28 -0.959 -11.578 2.547 1.00 0.00 N ATOM 374 CA LEU A 28 -1.177 -10.732 1.386 1.00 0.00 C ATOM 375 C LEU A 28 0.107 -10.671 0.556 1.00 0.00 C ATOM 376 O LEU A 28 0.059 -10.726 -0.672 1.00 0.00 O ATOM 377 CB LEU A 28 -1.698 -9.358 1.815 1.00 0.00 C ATOM 378 CG LEU A 28 -3.144 -9.315 2.313 1.00 0.00 C ATOM 379 CD1 LEU A 28 -3.447 -7.982 3.000 1.00 0.00 C ATOM 380 CD2 LEU A 28 -4.125 -9.610 1.176 1.00 0.00 C ATOM 0 H LEU A 28 -1.067 -11.106 3.445 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.951 -11.156 0.746 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.051 -8.976 2.605 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.605 -8.676 0.970 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.272 -10.099 3.060 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.481 -7.977 3.345 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.780 -7.852 3.852 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.296 -7.166 2.293 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.146 -9.573 1.557 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.004 -8.865 0.389 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.925 -10.602 0.771 1.00 0.00 H new ATOM 392 N GLY A 29 1.224 -10.558 1.260 1.00 0.00 N ATOM 393 CA GLY A 29 2.518 -10.489 0.603 1.00 0.00 C ATOM 394 C GLY A 29 2.949 -9.037 0.392 1.00 0.00 C ATOM 395 O GLY A 29 4.020 -8.777 -0.155 1.00 0.00 O ATOM 0 H GLY A 29 1.259 -10.513 2.278 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.263 -11.010 1.204 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.470 -11.001 -0.358 1.00 0.00 H new ATOM 399 N PHE A 30 2.093 -8.128 0.836 1.00 0.00 N ATOM 400 CA PHE A 30 2.372 -6.709 0.702 1.00 0.00 C ATOM 401 C PHE A 30 1.661 -5.905 1.793 1.00 0.00 C ATOM 402 O PHE A 30 0.780 -6.424 2.477 1.00 0.00 O ATOM 403 CB PHE A 30 1.839 -6.275 -0.664 1.00 0.00 C ATOM 404 CG PHE A 30 0.325 -6.434 -0.821 1.00 0.00 C ATOM 405 CD1 PHE A 30 -0.195 -7.619 -1.240 1.00 0.00 C ATOM 406 CD2 PHE A 30 -0.501 -5.390 -0.541 1.00 0.00 C ATOM 407 CE1 PHE A 30 -1.599 -7.766 -1.385 1.00 0.00 C ATOM 408 CE2 PHE A 30 -1.906 -5.538 -0.686 1.00 0.00 C ATOM 409 CZ PHE A 30 -2.425 -6.723 -1.105 1.00 0.00 C ATOM 0 H PHE A 30 1.206 -8.347 1.289 1.00 0.00 H new ATOM 0 HA PHE A 30 3.443 -6.530 0.796 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.103 -5.231 -0.831 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.337 -6.858 -1.439 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.461 -8.448 -1.462 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.088 -4.449 -0.209 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.012 -8.707 -1.718 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.562 -4.710 -0.464 1.00 0.00 H new ATOM 0 HZ PHE A 30 -3.493 -6.836 -1.215 1.00 0.00 H new ATOM 419 N THR A 31 2.068 -4.651 1.920 1.00 0.00 N ATOM 420 CA THR A 31 1.481 -3.770 2.916 1.00 0.00 C ATOM 421 C THR A 31 0.997 -2.474 2.262 1.00 0.00 C ATOM 422 O THR A 31 1.146 -2.290 1.055 1.00 0.00 O ATOM 423 CB THR A 31 2.518 -3.544 4.018 1.00 0.00 C ATOM 424 OG1 THR A 31 2.082 -2.352 4.665 1.00 0.00 O ATOM 425 CG2 THR A 31 3.896 -3.184 3.460 1.00 0.00 C ATOM 0 H THR A 31 2.798 -4.223 1.350 1.00 0.00 H new ATOM 0 HA THR A 31 0.597 -4.219 3.369 1.00 0.00 H new ATOM 0 HB THR A 31 2.599 -4.442 4.631 1.00 0.00 H new ATOM 0 HG1 THR A 31 2.697 -2.132 5.395 1.00 0.00 H new ATOM 0 HG21 THR A 31 4.594 -3.034 4.284 1.00 0.00 H new ATOM 0 HG22 THR A 31 4.254 -3.993 2.824 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.823 -2.267 2.875 1.00 0.00 H new ATOM 433 N LEU A 32 0.427 -1.610 3.088 1.00 0.00 N ATOM 434 CA LEU A 32 -0.080 -0.336 2.606 1.00 0.00 C ATOM 435 C LEU A 32 0.652 0.802 3.319 1.00 0.00 C ATOM 436 O LEU A 32 0.577 0.924 4.541 1.00 0.00 O ATOM 437 CB LEU A 32 -1.602 -0.276 2.752 1.00 0.00 C ATOM 438 CG LEU A 32 -2.398 -1.264 1.896 1.00 0.00 C ATOM 439 CD1 LEU A 32 -3.902 -1.021 2.035 1.00 0.00 C ATOM 440 CD2 LEU A 32 -1.942 -1.216 0.436 1.00 0.00 C ATOM 0 H LEU A 32 0.305 -1.767 4.088 1.00 0.00 H new ATOM 0 HA LEU A 32 0.120 -0.225 1.540 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.854 -0.448 3.799 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.931 0.734 2.507 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.199 -2.271 2.262 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.445 -1.736 1.417 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.196 -1.146 3.077 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.138 -0.008 1.710 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.523 -1.927 -0.150 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.092 -0.211 0.041 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.885 -1.475 0.376 1.00 0.00 H new ATOM 452 N ARG A 33 1.343 1.607 2.526 1.00 0.00 N ATOM 453 CA ARG A 33 2.087 2.732 3.066 1.00 0.00 C ATOM 454 C ARG A 33 1.512 4.050 2.544 1.00 0.00 C ATOM 455 O ARG A 33 0.768 4.062 1.564 1.00 0.00 O ATOM 456 CB ARG A 33 3.567 2.645 2.688 1.00 0.00 C ATOM 457 CG ARG A 33 4.267 1.528 3.466 1.00 0.00 C ATOM 458 CD ARG A 33 5.321 2.100 4.417 1.00 0.00 C ATOM 459 NE ARG A 33 4.731 2.311 5.758 1.00 0.00 N ATOM 460 CZ ARG A 33 5.244 3.133 6.683 1.00 0.00 C ATOM 461 NH1 ARG A 33 6.360 3.827 6.419 1.00 0.00 N ATOM 462 NH2 ARG A 33 4.641 3.262 7.873 1.00 0.00 N ATOM 0 H ARG A 33 1.403 1.503 1.513 1.00 0.00 H new ATOM 0 HA ARG A 33 1.997 2.698 4.152 1.00 0.00 H new ATOM 0 HB2 ARG A 33 3.663 2.463 1.618 1.00 0.00 H new ATOM 0 HB3 ARG A 33 4.055 3.598 2.894 1.00 0.00 H new ATOM 0 HG2 ARG A 33 3.531 0.958 4.033 1.00 0.00 H new ATOM 0 HG3 ARG A 33 4.738 0.835 2.769 1.00 0.00 H new ATOM 0 HD2 ARG A 33 6.168 1.418 4.487 1.00 0.00 H new ATOM 0 HD3 ARG A 33 5.702 3.043 4.026 1.00 0.00 H new ATOM 0 HE ARG A 33 3.881 1.799 5.992 1.00 0.00 H new ATOM 0 HH11 ARG A 33 6.819 3.729 5.513 1.00 0.00 H new ATOM 0 HH12 ARG A 33 6.750 4.453 7.124 1.00 0.00 H new ATOM 0 HH21 ARG A 33 3.792 2.734 8.074 1.00 0.00 H new ATOM 0 HH22 ARG A 33 5.032 3.888 8.577 1.00 0.00 H new ATOM 476 N GLY A 34 1.877 5.128 3.222 1.00 0.00 N ATOM 477 CA GLY A 34 1.406 6.448 2.838 1.00 0.00 C ATOM 478 C GLY A 34 0.013 6.720 3.409 1.00 0.00 C ATOM 479 O GLY A 34 -0.621 5.824 3.964 1.00 0.00 O ATOM 0 H GLY A 34 2.493 5.115 4.035 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.104 7.205 3.195 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.379 6.527 1.751 1.00 0.00 H new ATOM 483 N ASN A 35 -0.424 7.962 3.253 1.00 0.00 N ATOM 484 CA ASN A 35 -1.731 8.363 3.745 1.00 0.00 C ATOM 485 C ASN A 35 -2.797 7.990 2.713 1.00 0.00 C ATOM 486 O ASN A 35 -3.592 7.079 2.939 1.00 0.00 O ATOM 487 CB ASN A 35 -1.795 9.875 3.966 1.00 0.00 C ATOM 488 CG ASN A 35 -1.932 10.207 5.454 1.00 0.00 C ATOM 489 OD1 ASN A 35 -0.960 10.388 6.168 1.00 0.00 O ATOM 490 ND2 ASN A 35 -3.191 10.277 5.878 1.00 0.00 N ATOM 0 H ASN A 35 0.104 8.703 2.793 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.906 7.852 4.692 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -0.895 10.343 3.567 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -2.640 10.291 3.418 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -3.389 10.493 6.855 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -3.958 10.114 5.226 1.00 0.00 H new ATOM 497 N THR A 36 -2.778 8.712 1.603 1.00 0.00 N ATOM 498 CA THR A 36 -3.733 8.469 0.536 1.00 0.00 C ATOM 499 C THR A 36 -3.433 9.369 -0.665 1.00 0.00 C ATOM 500 O THR A 36 -3.151 10.555 -0.500 1.00 0.00 O ATOM 501 CB THR A 36 -5.140 8.665 1.106 1.00 0.00 C ATOM 502 OG1 THR A 36 -5.945 8.928 -0.040 1.00 0.00 O ATOM 503 CG2 THR A 36 -5.259 9.938 1.945 1.00 0.00 C ATOM 0 H THR A 36 -2.116 9.466 1.419 1.00 0.00 H new ATOM 0 HA THR A 36 -3.657 7.448 0.163 1.00 0.00 H new ATOM 0 HB THR A 36 -5.408 7.802 1.716 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.322 8.088 -0.375 1.00 0.00 H new ATOM 0 HG21 THR A 36 -6.276 10.029 2.325 1.00 0.00 H new ATOM 0 HG22 THR A 36 -4.562 9.889 2.781 1.00 0.00 H new ATOM 0 HG23 THR A 36 -5.024 10.804 1.327 1.00 0.00 H new ATOM 511 N PRO A 37 -3.506 8.755 -1.876 1.00 0.00 N ATOM 512 CA PRO A 37 -3.847 7.347 -1.982 1.00 0.00 C ATOM 513 C PRO A 37 -2.668 6.464 -1.567 1.00 0.00 C ATOM 514 O PRO A 37 -1.541 6.679 -2.012 1.00 0.00 O ATOM 515 CB PRO A 37 -4.256 7.149 -3.432 1.00 0.00 C ATOM 516 CG PRO A 37 -3.687 8.337 -4.191 1.00 0.00 C ATOM 517 CD PRO A 37 -3.267 9.383 -3.172 1.00 0.00 C ATOM 0 HA PRO A 37 -4.656 7.059 -1.311 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.863 6.211 -3.824 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -5.341 7.106 -3.530 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -2.834 8.030 -4.797 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.432 8.746 -4.873 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -2.218 9.655 -3.293 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.848 10.298 -3.282 1.00 0.00 H new ATOM 525 N VAL A 38 -2.968 5.491 -0.720 1.00 0.00 N ATOM 526 CA VAL A 38 -1.947 4.575 -0.240 1.00 0.00 C ATOM 527 C VAL A 38 -1.187 3.994 -1.434 1.00 0.00 C ATOM 528 O VAL A 38 -1.496 4.308 -2.583 1.00 0.00 O ATOM 529 CB VAL A 38 -2.581 3.501 0.646 1.00 0.00 C ATOM 530 CG1 VAL A 38 -3.375 4.133 1.791 1.00 0.00 C ATOM 531 CG2 VAL A 38 -3.463 2.561 -0.179 1.00 0.00 C ATOM 0 H VAL A 38 -3.904 5.317 -0.353 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.223 5.102 0.381 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.777 2.909 1.083 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.815 3.348 2.405 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.709 4.742 2.403 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -4.167 4.760 1.382 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.902 1.807 0.474 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.258 3.134 -0.657 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.859 2.072 -0.943 1.00 0.00 H new ATOM 541 N GLN A 39 -0.209 3.156 -1.122 1.00 0.00 N ATOM 542 CA GLN A 39 0.596 2.528 -2.156 1.00 0.00 C ATOM 543 C GLN A 39 0.681 1.019 -1.919 1.00 0.00 C ATOM 544 O GLN A 39 0.284 0.530 -0.862 1.00 0.00 O ATOM 545 CB GLN A 39 1.992 3.152 -2.218 1.00 0.00 C ATOM 546 CG GLN A 39 1.951 4.520 -2.903 1.00 0.00 C ATOM 547 CD GLN A 39 3.265 5.275 -2.698 1.00 0.00 C ATOM 548 OE1 GLN A 39 3.474 5.950 -1.703 1.00 0.00 O ATOM 549 NE2 GLN A 39 4.136 5.125 -3.692 1.00 0.00 N ATOM 0 H GLN A 39 0.044 2.897 -0.168 1.00 0.00 H new ATOM 0 HA GLN A 39 0.114 2.699 -3.119 1.00 0.00 H new ATOM 0 HB2 GLN A 39 2.392 3.258 -1.210 1.00 0.00 H new ATOM 0 HB3 GLN A 39 2.667 2.490 -2.761 1.00 0.00 H new ATOM 0 HG2 GLN A 39 1.764 4.391 -3.969 1.00 0.00 H new ATOM 0 HG3 GLN A 39 1.124 5.107 -2.503 1.00 0.00 H new ATOM 0 HE21 GLN A 39 3.897 4.545 -4.496 1.00 0.00 H new ATOM 0 HE22 GLN A 39 5.043 5.590 -3.650 1.00 0.00 H new ATOM 558 N VAL A 40 1.200 0.323 -2.919 1.00 0.00 N ATOM 559 CA VAL A 40 1.341 -1.121 -2.833 1.00 0.00 C ATOM 560 C VAL A 40 2.809 -1.471 -2.581 1.00 0.00 C ATOM 561 O VAL A 40 3.666 -1.215 -3.426 1.00 0.00 O ATOM 562 CB VAL A 40 0.778 -1.778 -4.095 1.00 0.00 C ATOM 563 CG1 VAL A 40 1.145 -3.262 -4.150 1.00 0.00 C ATOM 564 CG2 VAL A 40 -0.737 -1.584 -4.184 1.00 0.00 C ATOM 0 H VAL A 40 1.528 0.732 -3.794 1.00 0.00 H new ATOM 0 HA VAL A 40 0.765 -1.512 -1.995 1.00 0.00 H new ATOM 0 HB VAL A 40 1.230 -1.289 -4.958 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.733 -3.705 -5.056 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.230 -3.369 -4.155 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.734 -3.771 -3.278 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.112 -2.060 -5.090 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.213 -2.034 -3.313 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.966 -0.519 -4.212 1.00 0.00 H new ATOM 574 N HIS A 41 3.054 -2.051 -1.415 1.00 0.00 N ATOM 575 CA HIS A 41 4.404 -2.438 -1.042 1.00 0.00 C ATOM 576 C HIS A 41 4.524 -3.963 -1.063 1.00 0.00 C ATOM 577 O HIS A 41 4.109 -4.636 -0.121 1.00 0.00 O ATOM 578 CB HIS A 41 4.789 -1.832 0.310 1.00 0.00 C ATOM 579 CG HIS A 41 6.218 -1.349 0.381 1.00 0.00 C ATOM 580 ND1 HIS A 41 6.826 -0.652 -0.648 1.00 0.00 N ATOM 581 CD2 HIS A 41 7.150 -1.468 1.369 1.00 0.00 C ATOM 582 CE1 HIS A 41 8.069 -0.371 -0.286 1.00 0.00 C ATOM 583 NE2 HIS A 41 8.268 -0.878 0.965 1.00 0.00 N ATOM 0 H HIS A 41 2.341 -2.262 -0.717 1.00 0.00 H new ATOM 0 HA HIS A 41 5.114 -2.042 -1.768 1.00 0.00 H new ATOM 0 HB2 HIS A 41 4.123 -0.997 0.525 1.00 0.00 H new ATOM 0 HB3 HIS A 41 4.629 -2.577 1.090 1.00 0.00 H new ATOM 0 HD2 HIS A 41 7.003 -1.959 2.320 1.00 0.00 H new ATOM 0 HE1 HIS A 41 8.797 0.165 -0.877 1.00 0.00 H new ATOM 0 HE2 HIS A 41 9.133 -0.814 1.501 1.00 0.00 H new ATOM 591 N PHE A 42 5.095 -4.465 -2.149 1.00 0.00 N ATOM 592 CA PHE A 42 5.275 -5.898 -2.306 1.00 0.00 C ATOM 593 C PHE A 42 6.469 -6.393 -1.488 1.00 0.00 C ATOM 594 O PHE A 42 7.618 -6.119 -1.832 1.00 0.00 O ATOM 595 CB PHE A 42 5.546 -6.155 -3.790 1.00 0.00 C ATOM 596 CG PHE A 42 4.307 -6.035 -4.679 1.00 0.00 C ATOM 597 CD1 PHE A 42 3.121 -6.556 -4.266 1.00 0.00 C ATOM 598 CD2 PHE A 42 4.392 -5.407 -5.882 1.00 0.00 C ATOM 599 CE1 PHE A 42 1.971 -6.445 -5.091 1.00 0.00 C ATOM 600 CE2 PHE A 42 3.242 -5.296 -6.708 1.00 0.00 C ATOM 601 CZ PHE A 42 2.055 -5.818 -6.295 1.00 0.00 C ATOM 0 H PHE A 42 5.439 -3.904 -2.929 1.00 0.00 H new ATOM 0 HA PHE A 42 4.387 -6.425 -1.958 1.00 0.00 H new ATOM 0 HB2 PHE A 42 6.300 -5.449 -4.138 1.00 0.00 H new ATOM 0 HB3 PHE A 42 5.967 -7.154 -3.904 1.00 0.00 H new ATOM 0 HD1 PHE A 42 3.054 -7.054 -3.310 1.00 0.00 H new ATOM 0 HD2 PHE A 42 5.334 -4.993 -6.209 1.00 0.00 H new ATOM 0 HE1 PHE A 42 1.029 -6.859 -4.762 1.00 0.00 H new ATOM 0 HE2 PHE A 42 3.309 -4.797 -7.664 1.00 0.00 H new ATOM 0 HZ PHE A 42 1.180 -5.734 -6.923 1.00 0.00 H new ATOM 611 N LEU A 43 6.157 -7.114 -0.421 1.00 0.00 N ATOM 612 CA LEU A 43 7.190 -7.650 0.449 1.00 0.00 C ATOM 613 C LEU A 43 7.792 -8.902 -0.193 1.00 0.00 C ATOM 614 O LEU A 43 8.974 -9.188 -0.013 1.00 0.00 O ATOM 615 CB LEU A 43 6.637 -7.885 1.856 1.00 0.00 C ATOM 616 CG LEU A 43 6.614 -6.666 2.780 1.00 0.00 C ATOM 617 CD1 LEU A 43 7.973 -6.462 3.453 1.00 0.00 C ATOM 618 CD2 LEU A 43 6.155 -5.416 2.027 1.00 0.00 C ATOM 0 H LEU A 43 5.203 -7.340 -0.139 1.00 0.00 H new ATOM 0 HA LEU A 43 8.000 -6.931 0.567 1.00 0.00 H new ATOM 0 HB2 LEU A 43 5.620 -8.267 1.766 1.00 0.00 H new ATOM 0 HB3 LEU A 43 7.230 -8.666 2.332 1.00 0.00 H new ATOM 0 HG LEU A 43 5.887 -6.851 3.571 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.929 -5.589 4.104 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.222 -7.343 4.044 1.00 0.00 H new ATOM 0 HD13 LEU A 43 8.737 -6.308 2.691 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.148 -4.564 2.707 1.00 0.00 H new ATOM 0 HD22 LEU A 43 6.839 -5.216 1.202 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.151 -5.576 1.635 1.00 0.00 H new ATOM 630 N ASP A 44 6.950 -9.614 -0.927 1.00 0.00 N ATOM 631 CA ASP A 44 7.384 -10.829 -1.596 1.00 0.00 C ATOM 632 C ASP A 44 7.031 -10.741 -3.083 1.00 0.00 C ATOM 633 O ASP A 44 5.945 -10.288 -3.440 1.00 0.00 O ATOM 634 CB ASP A 44 6.683 -12.058 -1.015 1.00 0.00 C ATOM 635 CG ASP A 44 7.235 -13.403 -1.493 1.00 0.00 C ATOM 636 OD1 ASP A 44 8.344 -13.756 -1.036 1.00 0.00 O ATOM 637 OD2 ASP A 44 6.535 -14.048 -2.303 1.00 0.00 O ATOM 0 H ASP A 44 5.970 -9.373 -1.073 1.00 0.00 H new ATOM 0 HA ASP A 44 8.460 -10.927 -1.453 1.00 0.00 H new ATOM 0 HB2 ASP A 44 6.754 -12.019 0.072 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.624 -12.007 -1.267 1.00 0.00 H new ATOM 642 N PRO A 45 7.993 -11.194 -3.930 1.00 0.00 N ATOM 643 CA PRO A 45 7.794 -11.172 -5.369 1.00 0.00 C ATOM 644 C PRO A 45 6.837 -12.282 -5.808 1.00 0.00 C ATOM 645 O PRO A 45 6.295 -12.239 -6.911 1.00 0.00 O ATOM 646 CB PRO A 45 9.187 -11.320 -5.961 1.00 0.00 C ATOM 647 CG PRO A 45 10.055 -11.885 -4.848 1.00 0.00 C ATOM 648 CD PRO A 45 9.291 -11.738 -3.542 1.00 0.00 C ATOM 0 HA PRO A 45 7.324 -10.251 -5.714 1.00 0.00 H new ATOM 0 HB2 PRO A 45 9.176 -11.986 -6.824 1.00 0.00 H new ATOM 0 HB3 PRO A 45 9.569 -10.359 -6.305 1.00 0.00 H new ATOM 0 HG2 PRO A 45 10.287 -12.933 -5.039 1.00 0.00 H new ATOM 0 HG3 PRO A 45 11.005 -11.353 -4.797 1.00 0.00 H new ATOM 0 HD2 PRO A 45 9.183 -12.698 -3.037 1.00 0.00 H new ATOM 0 HD3 PRO A 45 9.810 -11.071 -2.853 1.00 0.00 H new ATOM 656 N HIS A 46 6.658 -13.249 -4.921 1.00 0.00 N ATOM 657 CA HIS A 46 5.775 -14.369 -5.203 1.00 0.00 C ATOM 658 C HIS A 46 4.487 -14.224 -4.390 1.00 0.00 C ATOM 659 O HIS A 46 3.816 -15.214 -4.100 1.00 0.00 O ATOM 660 CB HIS A 46 6.488 -15.699 -4.952 1.00 0.00 C ATOM 661 CG HIS A 46 7.327 -16.174 -6.114 1.00 0.00 C ATOM 662 ND1 HIS A 46 8.708 -16.083 -6.127 1.00 0.00 N ATOM 663 CD2 HIS A 46 6.967 -16.745 -7.299 1.00 0.00 C ATOM 664 CE1 HIS A 46 9.149 -16.579 -7.274 1.00 0.00 C ATOM 665 NE2 HIS A 46 8.069 -16.989 -7.999 1.00 0.00 N ATOM 0 H HIS A 46 7.109 -13.281 -4.007 1.00 0.00 H new ATOM 0 HA HIS A 46 5.500 -14.364 -6.258 1.00 0.00 H new ATOM 0 HB2 HIS A 46 7.126 -15.598 -4.074 1.00 0.00 H new ATOM 0 HB3 HIS A 46 5.744 -16.460 -4.719 1.00 0.00 H new ATOM 0 HD2 HIS A 46 5.957 -16.962 -7.615 1.00 0.00 H new ATOM 0 HE1 HIS A 46 10.182 -16.647 -7.581 1.00 0.00 H new ATOM 0 HE2 HIS A 46 8.102 -17.413 -8.926 1.00 0.00 H new ATOM 673 N CYS A 47 4.179 -12.982 -4.044 1.00 0.00 N ATOM 674 CA CYS A 47 2.984 -12.695 -3.270 1.00 0.00 C ATOM 675 C CYS A 47 1.767 -13.142 -4.083 1.00 0.00 C ATOM 676 O CYS A 47 1.624 -14.324 -4.394 1.00 0.00 O ATOM 677 CB CYS A 47 2.901 -11.216 -2.885 1.00 0.00 C ATOM 678 SG CYS A 47 3.262 -10.169 -4.342 1.00 0.00 S ATOM 0 H CYS A 47 4.737 -12.163 -4.286 1.00 0.00 H new ATOM 0 HA CYS A 47 3.015 -13.246 -2.330 1.00 0.00 H new ATOM 0 HB2 CYS A 47 1.907 -10.987 -2.500 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.610 -10.999 -2.086 1.00 0.00 H new ATOM 0 HG CYS A 47 4.528 -9.872 -4.360 1.00 0.00 H new ATOM 684 N SER A 48 0.921 -12.174 -4.403 1.00 0.00 N ATOM 685 CA SER A 48 -0.279 -12.454 -5.173 1.00 0.00 C ATOM 686 C SER A 48 -0.568 -11.296 -6.130 1.00 0.00 C ATOM 687 O SER A 48 -0.538 -11.470 -7.348 1.00 0.00 O ATOM 688 CB SER A 48 -1.479 -12.695 -4.255 1.00 0.00 C ATOM 689 OG SER A 48 -1.548 -14.047 -3.810 1.00 0.00 O ATOM 0 H SER A 48 1.043 -11.195 -4.143 1.00 0.00 H new ATOM 0 HA SER A 48 -0.110 -13.362 -5.751 1.00 0.00 H new ATOM 0 HB2 SER A 48 -1.414 -12.032 -3.392 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.397 -12.440 -4.784 1.00 0.00 H new ATOM 0 HG SER A 48 -0.663 -14.462 -3.885 1.00 0.00 H new ATOM 695 N ALA A 49 -0.842 -10.140 -5.544 1.00 0.00 N ATOM 696 CA ALA A 49 -1.137 -8.954 -6.330 1.00 0.00 C ATOM 697 C ALA A 49 -0.090 -8.808 -7.436 1.00 0.00 C ATOM 698 O ALA A 49 -0.435 -8.683 -8.610 1.00 0.00 O ATOM 699 CB ALA A 49 -1.188 -7.732 -5.411 1.00 0.00 C ATOM 0 H ALA A 49 -0.866 -9.999 -4.534 1.00 0.00 H new ATOM 0 HA ALA A 49 -2.112 -9.043 -6.808 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -1.409 -6.842 -6.001 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -1.966 -7.873 -4.661 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -0.225 -7.609 -4.916 1.00 0.00 H new ATOM 705 N SER A 50 1.169 -8.827 -7.023 1.00 0.00 N ATOM 706 CA SER A 50 2.268 -8.699 -7.964 1.00 0.00 C ATOM 707 C SER A 50 2.122 -9.730 -9.084 1.00 0.00 C ATOM 708 O SER A 50 2.256 -9.398 -10.261 1.00 0.00 O ATOM 709 CB SER A 50 3.617 -8.866 -7.261 1.00 0.00 C ATOM 710 OG SER A 50 4.677 -8.252 -7.989 1.00 0.00 O ATOM 0 H SER A 50 1.452 -8.929 -6.048 1.00 0.00 H new ATOM 0 HA SER A 50 2.234 -7.698 -8.395 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.562 -8.431 -6.263 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.831 -9.927 -7.134 1.00 0.00 H new ATOM 0 HG SER A 50 4.857 -7.363 -7.617 1.00 0.00 H new ATOM 716 N LEU A 51 1.848 -10.962 -8.679 1.00 0.00 N ATOM 717 CA LEU A 51 1.682 -12.044 -9.634 1.00 0.00 C ATOM 718 C LEU A 51 0.529 -11.710 -10.582 1.00 0.00 C ATOM 719 O LEU A 51 0.639 -11.902 -11.791 1.00 0.00 O ATOM 720 CB LEU A 51 1.513 -13.380 -8.906 1.00 0.00 C ATOM 721 CG LEU A 51 2.717 -13.857 -8.091 1.00 0.00 C ATOM 722 CD1 LEU A 51 2.288 -14.855 -7.013 1.00 0.00 C ATOM 723 CD2 LEU A 51 3.803 -14.430 -9.003 1.00 0.00 C ATOM 0 H LEU A 51 1.737 -11.234 -7.702 1.00 0.00 H new ATOM 0 HA LEU A 51 2.577 -12.152 -10.247 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.655 -13.301 -8.238 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.273 -14.145 -9.644 1.00 0.00 H new ATOM 0 HG LEU A 51 3.147 -12.996 -7.580 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.162 -15.178 -6.448 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.576 -14.379 -6.339 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.820 -15.720 -7.483 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.648 -14.762 -8.399 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.401 -15.276 -9.560 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.136 -13.661 -9.700 1.00 0.00 H new ATOM 735 N ALA A 52 -0.552 -11.215 -9.996 1.00 0.00 N ATOM 736 CA ALA A 52 -1.725 -10.852 -10.773 1.00 0.00 C ATOM 737 C ALA A 52 -1.287 -10.075 -12.016 1.00 0.00 C ATOM 738 O ALA A 52 -1.501 -10.523 -13.141 1.00 0.00 O ATOM 739 CB ALA A 52 -2.691 -10.054 -9.896 1.00 0.00 C ATOM 0 H ALA A 52 -0.640 -11.057 -8.992 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.253 -11.744 -11.111 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.571 -9.782 -10.479 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.994 -10.661 -9.043 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.197 -9.150 -9.540 1.00 0.00 H new ATOM 745 N GLY A 53 -0.681 -8.922 -11.770 1.00 0.00 N ATOM 746 CA GLY A 53 -0.211 -8.078 -12.856 1.00 0.00 C ATOM 747 C GLY A 53 -0.151 -6.611 -12.423 1.00 0.00 C ATOM 748 O GLY A 53 -0.576 -5.724 -13.161 1.00 0.00 O ATOM 0 H GLY A 53 -0.505 -8.553 -10.836 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.778 -8.407 -13.176 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.874 -8.181 -13.715 1.00 0.00 H new ATOM 752 N ALA A 54 0.380 -6.402 -11.227 1.00 0.00 N ATOM 753 CA ALA A 54 0.502 -5.058 -10.687 1.00 0.00 C ATOM 754 C ALA A 54 1.982 -4.687 -10.584 1.00 0.00 C ATOM 755 O ALA A 54 2.845 -5.417 -11.070 1.00 0.00 O ATOM 756 CB ALA A 54 -0.213 -4.984 -9.337 1.00 0.00 C ATOM 0 H ALA A 54 0.731 -7.140 -10.617 1.00 0.00 H new ATOM 0 HA ALA A 54 0.026 -4.334 -11.348 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.122 -3.976 -8.932 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.267 -5.228 -9.470 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.240 -5.695 -8.646 1.00 0.00 H new ATOM 762 N LYS A 55 2.232 -3.551 -9.949 1.00 0.00 N ATOM 763 CA LYS A 55 3.593 -3.073 -9.776 1.00 0.00 C ATOM 764 C LYS A 55 3.737 -2.448 -8.387 1.00 0.00 C ATOM 765 O LYS A 55 2.831 -2.546 -7.562 1.00 0.00 O ATOM 766 CB LYS A 55 3.979 -2.131 -10.918 1.00 0.00 C ATOM 767 CG LYS A 55 4.294 -2.914 -12.194 1.00 0.00 C ATOM 768 CD LYS A 55 5.626 -2.465 -12.798 1.00 0.00 C ATOM 769 CE LYS A 55 6.222 -3.560 -13.685 1.00 0.00 C ATOM 770 NZ LYS A 55 6.425 -3.058 -15.062 1.00 0.00 N ATOM 0 H LYS A 55 1.514 -2.947 -9.548 1.00 0.00 H new ATOM 0 HA LYS A 55 4.298 -3.903 -9.827 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.165 -1.432 -11.108 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.847 -1.538 -10.628 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.333 -3.980 -11.970 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.494 -2.770 -12.920 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.476 -1.558 -13.384 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.326 -2.217 -12.000 1.00 0.00 H new ATOM 0 HE2 LYS A 55 7.173 -3.895 -13.270 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.559 -4.425 -13.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.830 -3.814 -15.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 5.512 -2.760 -15.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.076 -2.247 -15.043 1.00 0.00 H new ATOM 784 N GLU A 56 4.884 -1.820 -8.172 1.00 0.00 N ATOM 785 CA GLU A 56 5.158 -1.179 -6.897 1.00 0.00 C ATOM 786 C GLU A 56 4.745 0.293 -6.943 1.00 0.00 C ATOM 787 O GLU A 56 4.797 0.923 -7.998 1.00 0.00 O ATOM 788 CB GLU A 56 6.633 -1.323 -6.518 1.00 0.00 C ATOM 789 CG GLU A 56 6.901 -2.679 -5.861 1.00 0.00 C ATOM 790 CD GLU A 56 8.379 -2.829 -5.495 1.00 0.00 C ATOM 791 OE1 GLU A 56 9.183 -2.993 -6.438 1.00 0.00 O ATOM 792 OE2 GLU A 56 8.671 -2.775 -4.281 1.00 0.00 O ATOM 0 H GLU A 56 5.634 -1.741 -8.859 1.00 0.00 H new ATOM 0 HA GLU A 56 4.568 -1.677 -6.128 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.253 -1.218 -7.408 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.917 -0.522 -5.835 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.289 -2.780 -4.965 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.608 -3.480 -6.539 1.00 0.00 H new ATOM 799 N GLY A 57 4.344 0.799 -5.786 1.00 0.00 N ATOM 800 CA GLY A 57 3.922 2.185 -5.681 1.00 0.00 C ATOM 801 C GLY A 57 2.505 2.370 -6.228 1.00 0.00 C ATOM 802 O GLY A 57 2.009 3.493 -6.312 1.00 0.00 O ATOM 0 H GLY A 57 4.302 0.273 -4.913 1.00 0.00 H new ATOM 0 HA2 GLY A 57 3.957 2.502 -4.639 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.614 2.822 -6.231 1.00 0.00 H new ATOM 806 N ASP A 58 1.893 1.251 -6.587 1.00 0.00 N ATOM 807 CA ASP A 58 0.543 1.275 -7.124 1.00 0.00 C ATOM 808 C ASP A 58 -0.389 1.954 -6.118 1.00 0.00 C ATOM 809 O ASP A 58 -0.493 1.520 -4.972 1.00 0.00 O ATOM 810 CB ASP A 58 0.022 -0.142 -7.369 1.00 0.00 C ATOM 811 CG ASP A 58 0.820 -0.957 -8.389 1.00 0.00 C ATOM 812 OD1 ASP A 58 1.836 -0.417 -8.877 1.00 0.00 O ATOM 813 OD2 ASP A 58 0.396 -2.102 -8.658 1.00 0.00 O ATOM 0 H ASP A 58 2.307 0.322 -6.516 1.00 0.00 H new ATOM 0 HA ASP A 58 0.565 1.819 -8.068 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.016 -0.680 -6.421 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.013 -0.079 -7.706 1.00 0.00 H new ATOM 818 N TYR A 59 -1.043 3.008 -6.583 1.00 0.00 N ATOM 819 CA TYR A 59 -1.963 3.751 -5.739 1.00 0.00 C ATOM 820 C TYR A 59 -3.403 3.278 -5.948 1.00 0.00 C ATOM 821 O TYR A 59 -4.007 3.553 -6.983 1.00 0.00 O ATOM 822 CB TYR A 59 -1.851 5.212 -6.176 1.00 0.00 C ATOM 823 CG TYR A 59 -0.443 5.796 -6.041 1.00 0.00 C ATOM 824 CD1 TYR A 59 0.524 5.488 -6.976 1.00 0.00 C ATOM 825 CD2 TYR A 59 -0.140 6.630 -4.984 1.00 0.00 C ATOM 826 CE1 TYR A 59 1.850 6.037 -6.849 1.00 0.00 C ATOM 827 CE2 TYR A 59 1.185 7.179 -4.857 1.00 0.00 C ATOM 828 CZ TYR A 59 2.115 6.855 -5.796 1.00 0.00 C ATOM 829 OH TYR A 59 3.366 7.374 -5.676 1.00 0.00 O ATOM 0 H TYR A 59 -0.954 3.365 -7.534 1.00 0.00 H new ATOM 0 HA TYR A 59 -1.717 3.609 -4.687 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -2.170 5.295 -7.215 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.541 5.812 -5.582 1.00 0.00 H new ATOM 0 HD1 TYR A 59 0.287 4.835 -7.803 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -0.897 6.871 -4.252 1.00 0.00 H new ATOM 0 HE1 TYR A 59 2.616 5.804 -7.574 1.00 0.00 H new ATOM 0 HE2 TYR A 59 1.435 7.833 -4.035 1.00 0.00 H new ATOM 0 HH TYR A 59 3.410 7.941 -4.878 1.00 0.00 H new ATOM 839 N ILE A 60 -3.912 2.574 -4.947 1.00 0.00 N ATOM 840 CA ILE A 60 -5.270 2.060 -5.008 1.00 0.00 C ATOM 841 C ILE A 60 -6.253 3.232 -5.047 1.00 0.00 C ATOM 842 O ILE A 60 -6.132 4.174 -4.265 1.00 0.00 O ATOM 843 CB ILE A 60 -5.524 1.081 -3.860 1.00 0.00 C ATOM 844 CG1 ILE A 60 -4.401 0.047 -3.762 1.00 0.00 C ATOM 845 CG2 ILE A 60 -6.899 0.423 -3.995 1.00 0.00 C ATOM 846 CD1 ILE A 60 -4.028 -0.221 -2.302 1.00 0.00 C ATOM 0 H ILE A 60 -3.408 2.348 -4.089 1.00 0.00 H new ATOM 0 HA ILE A 60 -5.420 1.487 -5.923 1.00 0.00 H new ATOM 0 HB ILE A 60 -5.526 1.643 -2.926 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -4.715 -0.882 -4.237 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.526 0.403 -4.305 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -7.055 -0.268 -3.167 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -7.673 1.190 -3.977 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -6.950 -0.123 -4.937 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.227 -0.960 -2.261 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.691 0.705 -1.837 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -4.899 -0.600 -1.768 1.00 0.00 H new ATOM 858 N VAL A 61 -7.204 3.135 -5.964 1.00 0.00 N ATOM 859 CA VAL A 61 -8.207 4.175 -6.115 1.00 0.00 C ATOM 860 C VAL A 61 -9.583 3.606 -5.762 1.00 0.00 C ATOM 861 O VAL A 61 -10.413 4.298 -5.175 1.00 0.00 O ATOM 862 CB VAL A 61 -8.147 4.759 -7.528 1.00 0.00 C ATOM 863 CG1 VAL A 61 -6.978 5.737 -7.667 1.00 0.00 C ATOM 864 CG2 VAL A 61 -8.061 3.649 -8.577 1.00 0.00 C ATOM 0 H VAL A 61 -7.301 2.352 -6.610 1.00 0.00 H new ATOM 0 HA VAL A 61 -8.009 4.998 -5.428 1.00 0.00 H new ATOM 0 HB VAL A 61 -9.070 5.312 -7.702 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.958 6.138 -8.680 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -7.101 6.554 -6.956 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.042 5.217 -7.464 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -8.020 4.091 -9.572 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -7.163 3.056 -8.406 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -8.939 3.008 -8.501 1.00 0.00 H new ATOM 874 N SER A 62 -9.781 2.350 -6.134 1.00 0.00 N ATOM 875 CA SER A 62 -11.042 1.680 -5.863 1.00 0.00 C ATOM 876 C SER A 62 -10.810 0.177 -5.692 1.00 0.00 C ATOM 877 O SER A 62 -9.768 -0.343 -6.088 1.00 0.00 O ATOM 878 CB SER A 62 -12.053 1.936 -6.983 1.00 0.00 C ATOM 879 OG SER A 62 -12.599 3.251 -6.918 1.00 0.00 O ATOM 0 H SER A 62 -9.090 1.779 -6.621 1.00 0.00 H new ATOM 0 HA SER A 62 -11.453 2.086 -4.939 1.00 0.00 H new ATOM 0 HB2 SER A 62 -11.569 1.792 -7.949 1.00 0.00 H new ATOM 0 HB3 SER A 62 -12.859 1.205 -6.918 1.00 0.00 H new ATOM 0 HG SER A 62 -13.266 3.293 -6.201 1.00 0.00 H new ATOM 885 N ILE A 63 -11.798 -0.478 -5.101 1.00 0.00 N ATOM 886 CA ILE A 63 -11.715 -1.911 -4.873 1.00 0.00 C ATOM 887 C ILE A 63 -13.120 -2.513 -4.920 1.00 0.00 C ATOM 888 O ILE A 63 -13.864 -2.441 -3.943 1.00 0.00 O ATOM 889 CB ILE A 63 -10.964 -2.203 -3.572 1.00 0.00 C ATOM 890 CG1 ILE A 63 -9.542 -1.640 -3.622 1.00 0.00 C ATOM 891 CG2 ILE A 63 -10.977 -3.700 -3.256 1.00 0.00 C ATOM 892 CD1 ILE A 63 -8.751 -2.037 -2.374 1.00 0.00 C ATOM 0 H ILE A 63 -12.660 -0.043 -4.773 1.00 0.00 H new ATOM 0 HA ILE A 63 -11.137 -2.390 -5.663 1.00 0.00 H new ATOM 0 HB ILE A 63 -11.482 -1.697 -2.757 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -9.032 -2.008 -4.512 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -9.580 -0.554 -3.703 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -10.437 -3.880 -2.327 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -12.007 -4.040 -3.149 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -10.497 -4.247 -4.067 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -7.744 -1.624 -2.435 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -9.250 -1.646 -1.487 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -8.694 -3.124 -2.310 1.00 0.00 H new ATOM 904 N GLN A 64 -13.442 -3.095 -6.066 1.00 0.00 N ATOM 905 CA GLN A 64 -14.746 -3.709 -6.254 1.00 0.00 C ATOM 906 C GLN A 64 -15.837 -2.638 -6.289 1.00 0.00 C ATOM 907 O GLN A 64 -16.872 -2.779 -5.639 1.00 0.00 O ATOM 908 CB GLN A 64 -15.027 -4.742 -5.161 1.00 0.00 C ATOM 909 CG GLN A 64 -14.771 -6.162 -5.670 1.00 0.00 C ATOM 910 CD GLN A 64 -15.936 -6.654 -6.531 1.00 0.00 C ATOM 911 OE1 GLN A 64 -16.587 -5.897 -7.232 1.00 0.00 O ATOM 912 NE2 GLN A 64 -16.161 -7.962 -6.440 1.00 0.00 N ATOM 0 H GLN A 64 -12.822 -3.154 -6.874 1.00 0.00 H new ATOM 0 HA GLN A 64 -14.746 -4.231 -7.211 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -14.395 -4.542 -4.296 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -16.061 -4.652 -4.828 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -13.850 -6.183 -6.252 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -14.629 -6.835 -4.825 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -15.578 -8.539 -5.834 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -16.917 -8.388 -6.977 1.00 0.00 H new ATOM 921 N GLY A 65 -15.569 -1.590 -7.055 1.00 0.00 N ATOM 922 CA GLY A 65 -16.516 -0.496 -7.184 1.00 0.00 C ATOM 923 C GLY A 65 -16.474 0.414 -5.954 1.00 0.00 C ATOM 924 O GLY A 65 -17.197 1.406 -5.886 1.00 0.00 O ATOM 0 H GLY A 65 -14.710 -1.476 -7.592 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -16.287 0.084 -8.078 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -17.522 -0.895 -7.312 1.00 0.00 H new ATOM 928 N VAL A 66 -15.619 0.042 -5.012 1.00 0.00 N ATOM 929 CA VAL A 66 -15.473 0.812 -3.789 1.00 0.00 C ATOM 930 C VAL A 66 -14.470 1.944 -4.020 1.00 0.00 C ATOM 931 O VAL A 66 -13.726 1.929 -5.000 1.00 0.00 O ATOM 932 CB VAL A 66 -15.077 -0.111 -2.634 1.00 0.00 C ATOM 933 CG1 VAL A 66 -14.980 0.666 -1.320 1.00 0.00 C ATOM 934 CG2 VAL A 66 -16.053 -1.282 -2.509 1.00 0.00 C ATOM 0 H VAL A 66 -15.021 -0.782 -5.072 1.00 0.00 H new ATOM 0 HA VAL A 66 -16.422 1.271 -3.511 1.00 0.00 H new ATOM 0 HB VAL A 66 -14.091 -0.520 -2.854 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -14.697 -0.013 -0.516 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -14.228 1.449 -1.415 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -15.946 1.117 -1.092 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -15.749 -1.922 -1.681 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -17.057 -0.901 -2.323 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -16.050 -1.859 -3.434 1.00 0.00 H new ATOM 944 N ASP A 67 -14.481 2.898 -3.101 1.00 0.00 N ATOM 945 CA ASP A 67 -13.581 4.036 -3.193 1.00 0.00 C ATOM 946 C ASP A 67 -12.386 3.812 -2.264 1.00 0.00 C ATOM 947 O ASP A 67 -12.556 3.642 -1.058 1.00 0.00 O ATOM 948 CB ASP A 67 -14.280 5.327 -2.761 1.00 0.00 C ATOM 949 CG ASP A 67 -14.266 5.597 -1.255 1.00 0.00 C ATOM 950 OD1 ASP A 67 -15.119 5.000 -0.563 1.00 0.00 O ATOM 951 OD2 ASP A 67 -13.402 6.394 -0.829 1.00 0.00 O ATOM 0 H ASP A 67 -15.098 2.907 -2.289 1.00 0.00 H new ATOM 0 HA ASP A 67 -13.260 4.129 -4.230 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -13.806 6.167 -3.270 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -15.316 5.292 -3.099 1.00 0.00 H new ATOM 956 N CYS A 68 -11.204 3.818 -2.862 1.00 0.00 N ATOM 957 CA CYS A 68 -9.981 3.617 -2.104 1.00 0.00 C ATOM 958 C CYS A 68 -8.962 4.669 -2.548 1.00 0.00 C ATOM 959 O CYS A 68 -7.756 4.432 -2.493 1.00 0.00 O ATOM 960 CB CYS A 68 -9.441 2.195 -2.267 1.00 0.00 C ATOM 961 SG CYS A 68 -10.457 1.024 -1.295 1.00 0.00 S ATOM 0 H CYS A 68 -11.067 3.959 -3.863 1.00 0.00 H new ATOM 0 HA CYS A 68 -10.186 3.737 -1.040 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -9.452 1.912 -3.319 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -8.404 2.151 -1.936 1.00 0.00 H new ATOM 0 HG CYS A 68 -9.681 0.277 -0.567 1.00 0.00 H new ATOM 967 N LYS A 69 -9.484 5.808 -2.979 1.00 0.00 N ATOM 968 CA LYS A 69 -8.635 6.896 -3.432 1.00 0.00 C ATOM 969 C LYS A 69 -8.434 7.891 -2.287 1.00 0.00 C ATOM 970 O LYS A 69 -7.442 8.619 -2.260 1.00 0.00 O ATOM 971 CB LYS A 69 -9.208 7.529 -4.702 1.00 0.00 C ATOM 972 CG LYS A 69 -8.110 8.223 -5.512 1.00 0.00 C ATOM 973 CD LYS A 69 -8.080 9.724 -5.220 1.00 0.00 C ATOM 974 CE LYS A 69 -9.274 10.432 -5.864 1.00 0.00 C ATOM 975 NZ LYS A 69 -9.013 11.885 -5.981 1.00 0.00 N ATOM 0 H LYS A 69 -10.485 6.001 -3.024 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.649 6.521 -3.706 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.685 6.762 -5.312 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.980 8.251 -4.436 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.142 7.783 -5.272 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.279 8.059 -6.576 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -8.093 9.889 -4.143 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -7.152 10.153 -5.597 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -9.466 10.010 -6.851 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.170 10.264 -5.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -9.703 12.409 -5.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -8.051 12.093 -5.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -9.101 12.175 -6.976 1.00 0.00 H new ATOM 989 N TRP A 70 -9.389 7.889 -1.370 1.00 0.00 N ATOM 990 CA TRP A 70 -9.329 8.783 -0.225 1.00 0.00 C ATOM 991 C TRP A 70 -9.008 7.943 1.013 1.00 0.00 C ATOM 992 O TRP A 70 -8.334 8.413 1.929 1.00 0.00 O ATOM 993 CB TRP A 70 -10.625 9.583 -0.085 1.00 0.00 C ATOM 994 CG TRP A 70 -11.145 10.161 -1.403 1.00 0.00 C ATOM 995 CD1 TRP A 70 -11.926 9.564 -2.314 1.00 0.00 C ATOM 996 CD2 TRP A 70 -10.888 11.482 -1.924 1.00 0.00 C ATOM 997 NE1 TRP A 70 -12.190 10.401 -3.380 1.00 0.00 N ATOM 998 CE2 TRP A 70 -11.538 11.604 -3.135 1.00 0.00 C ATOM 999 CE3 TRP A 70 -10.130 12.539 -1.389 1.00 0.00 C ATOM 1000 CZ2 TRP A 70 -11.498 12.767 -3.913 1.00 0.00 C ATOM 1001 CZ3 TRP A 70 -10.100 13.695 -2.179 1.00 0.00 C ATOM 1002 CH2 TRP A 70 -10.749 13.833 -3.400 1.00 0.00 C ATOM 0 H TRP A 70 -10.209 7.283 -1.396 1.00 0.00 H new ATOM 0 HA TRP A 70 -8.542 9.526 -0.356 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -11.392 8.940 0.346 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -10.462 10.399 0.619 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -12.302 8.555 -2.225 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -12.759 10.178 -4.197 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -9.612 12.465 -0.444 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -12.017 12.838 -4.858 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -9.533 14.538 -1.814 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -10.676 14.759 -3.951 1.00 0.00 H new ATOM 1013 N LEU A 71 -9.506 6.715 1.002 1.00 0.00 N ATOM 1014 CA LEU A 71 -9.281 5.806 2.113 1.00 0.00 C ATOM 1015 C LEU A 71 -7.797 5.819 2.484 1.00 0.00 C ATOM 1016 O LEU A 71 -6.943 6.078 1.637 1.00 0.00 O ATOM 1017 CB LEU A 71 -9.820 4.413 1.782 1.00 0.00 C ATOM 1018 CG LEU A 71 -11.334 4.309 1.585 1.00 0.00 C ATOM 1019 CD1 LEU A 71 -11.792 2.850 1.616 1.00 0.00 C ATOM 1020 CD2 LEU A 71 -12.081 5.167 2.609 1.00 0.00 C ATOM 0 H LEU A 71 -10.065 6.328 0.241 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.833 6.136 2.993 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.330 4.062 0.874 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -9.530 3.733 2.583 1.00 0.00 H new ATOM 0 HG LEU A 71 -11.578 4.702 0.598 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -12.872 2.804 1.474 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.297 2.296 0.818 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.534 2.408 2.578 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -13.155 5.075 2.447 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -11.836 4.828 3.616 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -11.785 6.210 2.495 1.00 0.00 H new ATOM 1032 N THR A 72 -7.534 5.535 3.751 1.00 0.00 N ATOM 1033 CA THR A 72 -6.168 5.511 4.245 1.00 0.00 C ATOM 1034 C THR A 72 -5.580 4.104 4.117 1.00 0.00 C ATOM 1035 O THR A 72 -5.882 3.385 3.166 1.00 0.00 O ATOM 1036 CB THR A 72 -6.175 6.039 5.681 1.00 0.00 C ATOM 1037 OG1 THR A 72 -6.863 5.032 6.418 1.00 0.00 O ATOM 1038 CG2 THR A 72 -7.049 7.284 5.843 1.00 0.00 C ATOM 0 H THR A 72 -8.244 5.319 4.451 1.00 0.00 H new ATOM 0 HA THR A 72 -5.520 6.155 3.650 1.00 0.00 H new ATOM 0 HB THR A 72 -5.155 6.270 5.988 1.00 0.00 H new ATOM 0 HG1 THR A 72 -6.912 5.293 7.361 1.00 0.00 H new ATOM 0 HG21 THR A 72 -7.019 7.617 6.880 1.00 0.00 H new ATOM 0 HG22 THR A 72 -6.675 8.078 5.196 1.00 0.00 H new ATOM 0 HG23 THR A 72 -8.077 7.045 5.568 1.00 0.00 H new ATOM 1046 N VAL A 73 -4.750 3.754 5.089 1.00 0.00 N ATOM 1047 CA VAL A 73 -4.117 2.446 5.098 1.00 0.00 C ATOM 1048 C VAL A 73 -5.026 1.449 5.819 1.00 0.00 C ATOM 1049 O VAL A 73 -5.237 0.336 5.339 1.00 0.00 O ATOM 1050 CB VAL A 73 -2.723 2.544 5.721 1.00 0.00 C ATOM 1051 CG1 VAL A 73 -2.222 1.167 6.161 1.00 0.00 C ATOM 1052 CG2 VAL A 73 -1.736 3.204 4.756 1.00 0.00 C ATOM 0 H VAL A 73 -4.501 4.354 5.876 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.978 2.081 4.080 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.796 3.174 6.608 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.229 1.264 6.600 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -2.906 0.750 6.900 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.173 0.504 5.297 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -0.753 3.261 5.224 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -1.670 2.613 3.843 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -2.081 4.209 4.513 1.00 0.00 H new ATOM 1062 N SER A 74 -5.539 1.883 6.961 1.00 0.00 N ATOM 1063 CA SER A 74 -6.420 1.043 7.753 1.00 0.00 C ATOM 1064 C SER A 74 -7.705 0.752 6.975 1.00 0.00 C ATOM 1065 O SER A 74 -8.111 -0.402 6.849 1.00 0.00 O ATOM 1066 CB SER A 74 -6.749 1.700 9.095 1.00 0.00 C ATOM 1067 OG SER A 74 -6.829 0.746 10.151 1.00 0.00 O ATOM 0 H SER A 74 -5.361 2.806 7.357 1.00 0.00 H new ATOM 0 HA SER A 74 -5.905 0.104 7.956 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.986 2.441 9.333 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.697 2.233 9.015 1.00 0.00 H new ATOM 0 HG SER A 74 -7.039 1.205 10.991 1.00 0.00 H new ATOM 1073 N GLU A 75 -8.310 1.819 6.474 1.00 0.00 N ATOM 1074 CA GLU A 75 -9.540 1.694 5.712 1.00 0.00 C ATOM 1075 C GLU A 75 -9.384 0.630 4.623 1.00 0.00 C ATOM 1076 O GLU A 75 -10.019 -0.422 4.682 1.00 0.00 O ATOM 1077 CB GLU A 75 -9.953 3.038 5.110 1.00 0.00 C ATOM 1078 CG GLU A 75 -10.763 3.863 6.113 1.00 0.00 C ATOM 1079 CD GLU A 75 -10.010 5.133 6.514 1.00 0.00 C ATOM 1080 OE1 GLU A 75 -9.968 6.057 5.674 1.00 0.00 O ATOM 1081 OE2 GLU A 75 -9.493 5.151 7.652 1.00 0.00 O ATOM 0 H GLU A 75 -7.970 2.775 6.581 1.00 0.00 H new ATOM 0 HA GLU A 75 -10.333 1.379 6.390 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -9.065 3.594 4.809 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -10.544 2.871 4.210 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -11.726 4.129 5.677 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -10.970 3.263 6.999 1.00 0.00 H new ATOM 1088 N VAL A 76 -8.536 0.942 3.654 1.00 0.00 N ATOM 1089 CA VAL A 76 -8.288 0.026 2.553 1.00 0.00 C ATOM 1090 C VAL A 76 -8.087 -1.386 3.106 1.00 0.00 C ATOM 1091 O VAL A 76 -8.792 -2.316 2.716 1.00 0.00 O ATOM 1092 CB VAL A 76 -7.102 0.517 1.721 1.00 0.00 C ATOM 1093 CG1 VAL A 76 -6.751 -0.487 0.621 1.00 0.00 C ATOM 1094 CG2 VAL A 76 -7.381 1.901 1.132 1.00 0.00 C ATOM 0 H VAL A 76 -8.012 1.816 3.608 1.00 0.00 H new ATOM 0 HA VAL A 76 -9.147 -0.007 1.882 1.00 0.00 H new ATOM 0 HB VAL A 76 -6.241 0.603 2.383 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -5.905 -0.114 0.044 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.489 -1.444 1.072 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.609 -0.619 -0.038 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.522 2.227 0.545 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -8.261 1.853 0.491 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -7.559 2.611 1.940 1.00 0.00 H new ATOM 1104 N MET A 77 -7.122 -1.503 4.006 1.00 0.00 N ATOM 1105 CA MET A 77 -6.819 -2.787 4.616 1.00 0.00 C ATOM 1106 C MET A 77 -8.098 -3.584 4.880 1.00 0.00 C ATOM 1107 O MET A 77 -8.187 -4.757 4.523 1.00 0.00 O ATOM 1108 CB MET A 77 -6.075 -2.563 5.934 1.00 0.00 C ATOM 1109 CG MET A 77 -4.566 -2.737 5.749 1.00 0.00 C ATOM 1110 SD MET A 77 -4.204 -4.404 5.226 1.00 0.00 S ATOM 1111 CE MET A 77 -2.956 -4.078 3.992 1.00 0.00 C ATOM 0 H MET A 77 -6.540 -0.730 4.328 1.00 0.00 H new ATOM 0 HA MET A 77 -6.194 -3.357 3.928 1.00 0.00 H new ATOM 0 HB2 MET A 77 -6.286 -1.561 6.309 1.00 0.00 H new ATOM 0 HB3 MET A 77 -6.436 -3.267 6.684 1.00 0.00 H new ATOM 0 HG2 MET A 77 -4.198 -2.027 5.009 1.00 0.00 H new ATOM 0 HG3 MET A 77 -4.049 -2.520 6.684 1.00 0.00 H new ATOM 0 HE1 MET A 77 -2.243 -4.902 3.969 1.00 0.00 H new ATOM 0 HE2 MET A 77 -3.428 -3.979 3.014 1.00 0.00 H new ATOM 0 HE3 MET A 77 -2.434 -3.153 4.238 1.00 0.00 H new ATOM 1121 N LYS A 78 -9.056 -2.914 5.503 1.00 0.00 N ATOM 1122 CA LYS A 78 -10.326 -3.545 5.820 1.00 0.00 C ATOM 1123 C LYS A 78 -11.076 -3.850 4.521 1.00 0.00 C ATOM 1124 O LYS A 78 -11.630 -4.937 4.361 1.00 0.00 O ATOM 1125 CB LYS A 78 -11.123 -2.684 6.802 1.00 0.00 C ATOM 1126 CG LYS A 78 -10.883 -3.134 8.245 1.00 0.00 C ATOM 1127 CD LYS A 78 -9.698 -2.387 8.862 1.00 0.00 C ATOM 1128 CE LYS A 78 -10.025 -1.918 10.281 1.00 0.00 C ATOM 1129 NZ LYS A 78 -9.370 -2.792 11.279 1.00 0.00 N ATOM 0 H LYS A 78 -8.978 -1.940 5.797 1.00 0.00 H new ATOM 0 HA LYS A 78 -10.163 -4.496 6.327 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.836 -1.638 6.691 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -12.186 -2.749 6.569 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -11.779 -2.956 8.839 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -10.693 -4.207 8.268 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -8.824 -3.038 8.883 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -9.442 -1.528 8.241 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -9.692 -0.889 10.416 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -11.104 -1.927 10.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -9.602 -2.460 12.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -9.707 -3.769 11.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -8.339 -2.763 11.143 1.00 0.00 H new ATOM 1143 N LEU A 79 -11.070 -2.872 3.628 1.00 0.00 N ATOM 1144 CA LEU A 79 -11.743 -3.022 2.349 1.00 0.00 C ATOM 1145 C LEU A 79 -11.174 -4.240 1.618 1.00 0.00 C ATOM 1146 O LEU A 79 -11.872 -4.880 0.833 1.00 0.00 O ATOM 1147 CB LEU A 79 -11.656 -1.725 1.542 1.00 0.00 C ATOM 1148 CG LEU A 79 -12.968 -1.225 0.933 1.00 0.00 C ATOM 1149 CD1 LEU A 79 -13.192 0.254 1.255 1.00 0.00 C ATOM 1150 CD2 LEU A 79 -13.013 -1.497 -0.571 1.00 0.00 C ATOM 0 H LEU A 79 -10.610 -1.972 3.765 1.00 0.00 H new ATOM 0 HA LEU A 79 -12.807 -3.207 2.498 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -11.258 -0.944 2.189 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -10.936 -1.869 0.736 1.00 0.00 H new ATOM 0 HG LEU A 79 -13.789 -1.782 1.385 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -14.131 0.585 0.811 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -13.234 0.389 2.336 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -12.370 0.843 0.848 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -13.956 -1.132 -0.979 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -12.184 -0.984 -1.058 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -12.932 -2.569 -0.749 1.00 0.00 H new ATOM 1162 N LEU A 80 -9.912 -4.525 1.903 1.00 0.00 N ATOM 1163 CA LEU A 80 -9.241 -5.655 1.283 1.00 0.00 C ATOM 1164 C LEU A 80 -9.482 -6.910 2.123 1.00 0.00 C ATOM 1165 O LEU A 80 -9.843 -7.958 1.591 1.00 0.00 O ATOM 1166 CB LEU A 80 -7.760 -5.341 1.057 1.00 0.00 C ATOM 1167 CG LEU A 80 -7.370 -4.933 -0.365 1.00 0.00 C ATOM 1168 CD1 LEU A 80 -5.945 -4.379 -0.405 1.00 0.00 C ATOM 1169 CD2 LEU A 80 -7.560 -6.096 -1.341 1.00 0.00 C ATOM 0 H LEU A 80 -9.336 -3.993 2.555 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.657 -5.849 0.294 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -7.472 -4.539 1.736 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -7.176 -6.219 1.335 1.00 0.00 H new ATOM 0 HG LEU A 80 -8.036 -4.132 -0.685 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.693 -4.097 -1.427 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.877 -3.503 0.241 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.248 -5.142 -0.057 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.276 -5.779 -2.344 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -6.934 -6.934 -1.034 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.606 -6.404 -1.341 1.00 0.00 H new ATOM 1181 N LYS A 81 -9.274 -6.762 3.423 1.00 0.00 N ATOM 1182 CA LYS A 81 -9.464 -7.870 4.343 1.00 0.00 C ATOM 1183 C LYS A 81 -10.868 -8.449 4.154 1.00 0.00 C ATOM 1184 O LYS A 81 -11.029 -9.658 3.995 1.00 0.00 O ATOM 1185 CB LYS A 81 -9.168 -7.433 5.779 1.00 0.00 C ATOM 1186 CG LYS A 81 -7.663 -7.448 6.057 1.00 0.00 C ATOM 1187 CD LYS A 81 -7.285 -6.382 7.087 1.00 0.00 C ATOM 1188 CE LYS A 81 -5.862 -6.601 7.606 1.00 0.00 C ATOM 1189 NZ LYS A 81 -5.684 -5.948 8.922 1.00 0.00 N ATOM 0 H LYS A 81 -8.975 -5.891 3.861 1.00 0.00 H new ATOM 0 HA LYS A 81 -8.756 -8.670 4.126 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -9.563 -6.431 5.947 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -9.677 -8.097 6.477 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -7.367 -8.432 6.421 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -7.117 -7.273 5.130 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -7.363 -5.392 6.637 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -7.988 -6.410 7.920 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -5.661 -7.669 7.693 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -5.143 -6.198 6.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -4.713 -6.106 9.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -5.856 -4.927 8.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -6.358 -6.352 9.604 1.00 0.00 H new ATOM 1203 N SER A 82 -11.848 -7.558 4.177 1.00 0.00 N ATOM 1204 CA SER A 82 -13.233 -7.964 4.010 1.00 0.00 C ATOM 1205 C SER A 82 -13.360 -8.914 2.818 1.00 0.00 C ATOM 1206 O SER A 82 -14.044 -9.933 2.901 1.00 0.00 O ATOM 1207 CB SER A 82 -14.145 -6.750 3.821 1.00 0.00 C ATOM 1208 OG SER A 82 -15.464 -6.992 4.303 1.00 0.00 O ATOM 0 H SER A 82 -11.710 -6.556 4.309 1.00 0.00 H new ATOM 0 HA SER A 82 -13.548 -8.483 4.915 1.00 0.00 H new ATOM 0 HB2 SER A 82 -13.720 -5.893 4.343 1.00 0.00 H new ATOM 0 HB3 SER A 82 -14.188 -6.490 2.763 1.00 0.00 H new ATOM 0 HG SER A 82 -16.014 -6.193 4.166 1.00 0.00 H new ATOM 1214 N PHE A 83 -12.689 -8.547 1.736 1.00 0.00 N ATOM 1215 CA PHE A 83 -12.718 -9.354 0.528 1.00 0.00 C ATOM 1216 C PHE A 83 -11.593 -10.391 0.534 1.00 0.00 C ATOM 1217 O PHE A 83 -10.958 -10.630 -0.492 1.00 0.00 O ATOM 1218 CB PHE A 83 -12.511 -8.402 -0.651 1.00 0.00 C ATOM 1219 CG PHE A 83 -13.554 -7.285 -0.740 1.00 0.00 C ATOM 1220 CD1 PHE A 83 -14.866 -7.561 -0.514 1.00 0.00 C ATOM 1221 CD2 PHE A 83 -13.168 -6.017 -1.045 1.00 0.00 C ATOM 1222 CE1 PHE A 83 -15.833 -6.525 -0.596 1.00 0.00 C ATOM 1223 CE2 PHE A 83 -14.135 -4.981 -1.127 1.00 0.00 C ATOM 1224 CZ PHE A 83 -15.448 -5.257 -0.901 1.00 0.00 C ATOM 0 H PHE A 83 -12.122 -7.702 1.671 1.00 0.00 H new ATOM 0 HA PHE A 83 -13.667 -9.887 0.459 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -11.520 -7.954 -0.574 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -12.530 -8.977 -1.577 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -15.172 -8.568 -0.272 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -12.126 -5.798 -1.225 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -16.875 -6.744 -0.416 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -13.829 -3.974 -1.369 1.00 0.00 H new ATOM 0 HZ PHE A 83 -16.184 -4.469 -0.964 1.00 0.00 H new ATOM 1234 N GLY A 84 -11.380 -10.979 1.702 1.00 0.00 N ATOM 1235 CA GLY A 84 -10.343 -11.985 1.856 1.00 0.00 C ATOM 1236 C GLY A 84 -10.771 -13.314 1.231 1.00 0.00 C ATOM 1237 O GLY A 84 -11.850 -13.825 1.527 1.00 0.00 O ATOM 0 H GLY A 84 -11.908 -10.778 2.551 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.422 -11.638 1.387 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -10.126 -12.130 2.914 1.00 0.00 H new ATOM 1241 N GLY A 85 -9.903 -13.837 0.377 1.00 0.00 N ATOM 1242 CA GLY A 85 -10.178 -15.097 -0.293 1.00 0.00 C ATOM 1243 C GLY A 85 -11.299 -14.938 -1.321 1.00 0.00 C ATOM 1244 O GLY A 85 -12.020 -15.892 -1.611 1.00 0.00 O ATOM 0 H GLY A 85 -9.009 -13.411 0.134 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -9.275 -15.455 -0.787 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -10.459 -15.851 0.443 1.00 0.00 H new ATOM 1248 N GLU A 86 -11.412 -13.726 -1.844 1.00 0.00 N ATOM 1249 CA GLU A 86 -12.434 -13.430 -2.834 1.00 0.00 C ATOM 1250 C GLU A 86 -11.841 -12.604 -3.978 1.00 0.00 C ATOM 1251 O GLU A 86 -11.242 -11.556 -3.745 1.00 0.00 O ATOM 1252 CB GLU A 86 -13.623 -12.710 -2.196 1.00 0.00 C ATOM 1253 CG GLU A 86 -14.217 -13.537 -1.054 1.00 0.00 C ATOM 1254 CD GLU A 86 -15.740 -13.403 -1.015 1.00 0.00 C ATOM 1255 OE1 GLU A 86 -16.374 -13.840 -2.000 1.00 0.00 O ATOM 1256 OE2 GLU A 86 -16.237 -12.868 0.000 1.00 0.00 O ATOM 0 H GLU A 86 -10.813 -12.937 -1.601 1.00 0.00 H new ATOM 0 HA GLU A 86 -12.800 -14.372 -3.244 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -13.304 -11.738 -1.818 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -14.387 -12.524 -2.950 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -13.944 -14.585 -1.179 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -13.795 -13.208 -0.104 1.00 0.00 H new ATOM 1263 N GLU A 87 -12.030 -13.108 -5.188 1.00 0.00 N ATOM 1264 CA GLU A 87 -11.522 -12.430 -6.369 1.00 0.00 C ATOM 1265 C GLU A 87 -12.154 -11.042 -6.497 1.00 0.00 C ATOM 1266 O GLU A 87 -13.354 -10.923 -6.739 1.00 0.00 O ATOM 1267 CB GLU A 87 -11.768 -13.262 -7.628 1.00 0.00 C ATOM 1268 CG GLU A 87 -10.508 -13.333 -8.493 1.00 0.00 C ATOM 1269 CD GLU A 87 -10.496 -14.606 -9.342 1.00 0.00 C ATOM 1270 OE1 GLU A 87 -10.509 -15.696 -8.730 1.00 0.00 O ATOM 1271 OE2 GLU A 87 -10.476 -14.461 -10.583 1.00 0.00 O ATOM 0 H GLU A 87 -12.528 -13.978 -5.377 1.00 0.00 H new ATOM 0 HA GLU A 87 -10.444 -12.309 -6.259 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -12.078 -14.269 -7.348 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -12.584 -12.825 -8.203 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -10.458 -12.459 -9.142 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -9.624 -13.308 -7.856 1.00 0.00 H new ATOM 1278 N VAL A 88 -11.318 -10.028 -6.329 1.00 0.00 N ATOM 1279 CA VAL A 88 -11.780 -8.654 -6.423 1.00 0.00 C ATOM 1280 C VAL A 88 -11.043 -7.950 -7.564 1.00 0.00 C ATOM 1281 O VAL A 88 -10.071 -8.479 -8.100 1.00 0.00 O ATOM 1282 CB VAL A 88 -11.606 -7.950 -5.075 1.00 0.00 C ATOM 1283 CG1 VAL A 88 -12.298 -8.731 -3.956 1.00 0.00 C ATOM 1284 CG2 VAL A 88 -10.125 -7.732 -4.757 1.00 0.00 C ATOM 0 H VAL A 88 -10.323 -10.131 -6.128 1.00 0.00 H new ATOM 0 HA VAL A 88 -12.844 -8.624 -6.656 1.00 0.00 H new ATOM 0 HB VAL A 88 -12.081 -6.971 -5.144 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -12.159 -8.210 -3.009 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -13.363 -8.812 -4.173 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -11.865 -9.729 -3.887 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -10.030 -7.230 -3.794 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -9.616 -8.695 -4.716 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -9.673 -7.115 -5.534 1.00 0.00 H new ATOM 1294 N GLU A 89 -11.535 -6.766 -7.901 1.00 0.00 N ATOM 1295 CA GLU A 89 -10.936 -5.984 -8.969 1.00 0.00 C ATOM 1296 C GLU A 89 -10.293 -4.716 -8.403 1.00 0.00 C ATOM 1297 O GLU A 89 -10.991 -3.763 -8.059 1.00 0.00 O ATOM 1298 CB GLU A 89 -11.969 -5.642 -10.044 1.00 0.00 C ATOM 1299 CG GLU A 89 -11.517 -6.141 -11.418 1.00 0.00 C ATOM 1300 CD GLU A 89 -12.691 -6.187 -12.398 1.00 0.00 C ATOM 1301 OE1 GLU A 89 -13.653 -5.424 -12.167 1.00 0.00 O ATOM 1302 OE2 GLU A 89 -12.600 -6.984 -13.357 1.00 0.00 O ATOM 0 H GLU A 89 -12.341 -6.330 -7.453 1.00 0.00 H new ATOM 0 HA GLU A 89 -10.157 -6.584 -9.439 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -12.928 -6.091 -9.788 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -12.121 -4.563 -10.077 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -10.738 -5.486 -11.809 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -11.079 -7.135 -11.322 1.00 0.00 H new ATOM 1309 N MET A 90 -8.971 -4.746 -8.322 1.00 0.00 N ATOM 1310 CA MET A 90 -8.227 -3.612 -7.803 1.00 0.00 C ATOM 1311 C MET A 90 -7.810 -2.666 -8.932 1.00 0.00 C ATOM 1312 O MET A 90 -7.398 -3.114 -10.001 1.00 0.00 O ATOM 1313 CB MET A 90 -6.981 -4.111 -7.069 1.00 0.00 C ATOM 1314 CG MET A 90 -6.253 -2.956 -6.377 1.00 0.00 C ATOM 1315 SD MET A 90 -5.250 -3.581 -5.040 1.00 0.00 S ATOM 1316 CE MET A 90 -4.296 -4.810 -5.915 1.00 0.00 C ATOM 0 H MET A 90 -8.396 -5.539 -8.607 1.00 0.00 H new ATOM 0 HA MET A 90 -8.870 -3.064 -7.114 1.00 0.00 H new ATOM 0 HB2 MET A 90 -7.265 -4.861 -6.331 1.00 0.00 H new ATOM 0 HB3 MET A 90 -6.309 -4.598 -7.776 1.00 0.00 H new ATOM 0 HG2 MET A 90 -5.627 -2.427 -7.096 1.00 0.00 H new ATOM 0 HG3 MET A 90 -6.977 -2.236 -5.994 1.00 0.00 H new ATOM 0 HE1 MET A 90 -4.127 -5.670 -5.266 1.00 0.00 H new ATOM 0 HE2 MET A 90 -4.840 -5.128 -6.804 1.00 0.00 H new ATOM 0 HE3 MET A 90 -3.337 -4.384 -6.210 1.00 0.00 H new ATOM 1326 N LYS A 91 -7.932 -1.376 -8.656 1.00 0.00 N ATOM 1327 CA LYS A 91 -7.574 -0.364 -9.635 1.00 0.00 C ATOM 1328 C LYS A 91 -6.482 0.536 -9.054 1.00 0.00 C ATOM 1329 O LYS A 91 -6.604 1.021 -7.930 1.00 0.00 O ATOM 1330 CB LYS A 91 -8.817 0.398 -10.098 1.00 0.00 C ATOM 1331 CG LYS A 91 -9.611 -0.419 -11.120 1.00 0.00 C ATOM 1332 CD LYS A 91 -10.872 -1.011 -10.488 1.00 0.00 C ATOM 1333 CE LYS A 91 -11.935 -1.298 -11.550 1.00 0.00 C ATOM 1334 NZ LYS A 91 -13.093 -1.996 -10.949 1.00 0.00 N ATOM 0 H LYS A 91 -8.274 -1.008 -7.768 1.00 0.00 H new ATOM 0 HA LYS A 91 -7.162 -0.829 -10.531 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.449 0.626 -9.240 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.521 1.350 -10.539 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -9.886 0.215 -11.963 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -8.987 -1.221 -11.514 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -10.621 -1.932 -9.961 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -11.271 -0.319 -9.747 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -12.263 -0.364 -12.007 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -11.507 -1.909 -12.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -13.473 -2.687 -11.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -12.791 -2.490 -10.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -13.831 -1.303 -10.711 1.00 0.00 H new ATOM 1348 N VAL A 92 -5.438 0.733 -9.846 1.00 0.00 N ATOM 1349 CA VAL A 92 -4.325 1.567 -9.425 1.00 0.00 C ATOM 1350 C VAL A 92 -3.964 2.536 -10.553 1.00 0.00 C ATOM 1351 O VAL A 92 -4.251 2.271 -11.719 1.00 0.00 O ATOM 1352 CB VAL A 92 -3.149 0.690 -8.991 1.00 0.00 C ATOM 1353 CG1 VAL A 92 -3.527 -0.178 -7.789 1.00 0.00 C ATOM 1354 CG2 VAL A 92 -2.649 -0.171 -10.153 1.00 0.00 C ATOM 0 H VAL A 92 -5.340 0.329 -10.777 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.603 2.166 -8.558 1.00 0.00 H new ATOM 0 HB VAL A 92 -2.335 1.348 -8.687 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -2.674 -0.792 -7.501 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.813 0.462 -6.954 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -4.364 -0.823 -8.055 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.813 -0.785 -9.818 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.456 -0.816 -10.501 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.322 0.473 -10.969 1.00 0.00 H new ATOM 1364 N VAL A 93 -3.340 3.639 -10.165 1.00 0.00 N ATOM 1365 CA VAL A 93 -2.936 4.648 -11.129 1.00 0.00 C ATOM 1366 C VAL A 93 -1.475 5.027 -10.883 1.00 0.00 C ATOM 1367 O VAL A 93 -1.030 5.089 -9.738 1.00 0.00 O ATOM 1368 CB VAL A 93 -3.884 5.847 -11.058 1.00 0.00 C ATOM 1369 CG1 VAL A 93 -5.186 5.562 -11.810 1.00 0.00 C ATOM 1370 CG2 VAL A 93 -4.164 6.240 -9.606 1.00 0.00 C ATOM 0 H VAL A 93 -3.105 3.856 -9.196 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.003 4.255 -12.144 1.00 0.00 H new ATOM 0 HB VAL A 93 -3.394 6.690 -11.544 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -5.842 6.430 -11.744 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -4.964 5.354 -12.857 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -5.681 4.699 -11.366 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -4.840 7.095 -9.584 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -4.623 5.401 -9.084 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -3.228 6.505 -9.114 1.00 0.00 H new ATOM 1380 N SER A 94 -0.767 5.269 -11.977 1.00 0.00 N ATOM 1381 CA SER A 94 0.635 5.640 -11.894 1.00 0.00 C ATOM 1382 C SER A 94 0.766 7.149 -11.677 1.00 0.00 C ATOM 1383 O SER A 94 -0.048 7.924 -12.175 1.00 0.00 O ATOM 1384 CB SER A 94 1.392 5.218 -13.155 1.00 0.00 C ATOM 1385 OG SER A 94 0.998 3.925 -13.607 1.00 0.00 O ATOM 0 H SER A 94 -1.139 5.215 -12.925 1.00 0.00 H new ATOM 0 HA SER A 94 1.077 5.118 -11.045 1.00 0.00 H new ATOM 0 HB2 SER A 94 1.215 5.948 -13.945 1.00 0.00 H new ATOM 0 HB3 SER A 94 2.463 5.220 -12.953 1.00 0.00 H new ATOM 0 HG SER A 94 1.503 3.693 -14.414 1.00 0.00 H new ATOM 1391 N LEU A 95 1.797 7.520 -10.932 1.00 0.00 N ATOM 1392 CA LEU A 95 2.045 8.922 -10.643 1.00 0.00 C ATOM 1393 C LEU A 95 3.111 9.455 -11.601 1.00 0.00 C ATOM 1394 O LEU A 95 4.245 8.977 -11.603 1.00 0.00 O ATOM 1395 CB LEU A 95 2.396 9.110 -9.166 1.00 0.00 C ATOM 1396 CG LEU A 95 1.551 10.130 -8.400 1.00 0.00 C ATOM 1397 CD1 LEU A 95 1.326 9.681 -6.955 1.00 0.00 C ATOM 1398 CD2 LEU A 95 2.174 11.526 -8.476 1.00 0.00 C ATOM 0 H LEU A 95 2.470 6.874 -10.520 1.00 0.00 H new ATOM 0 HA LEU A 95 1.143 9.511 -10.810 1.00 0.00 H new ATOM 0 HB2 LEU A 95 2.307 8.145 -8.666 1.00 0.00 H new ATOM 0 HB3 LEU A 95 3.442 9.409 -9.097 1.00 0.00 H new ATOM 0 HG LEU A 95 0.572 10.188 -8.875 1.00 0.00 H new ATOM 0 HD11 LEU A 95 0.723 10.424 -6.433 1.00 0.00 H new ATOM 0 HD12 LEU A 95 0.807 8.722 -6.948 1.00 0.00 H new ATOM 0 HD13 LEU A 95 2.288 9.577 -6.453 1.00 0.00 H new ATOM 0 HD21 LEU A 95 1.554 12.232 -7.924 1.00 0.00 H new ATOM 0 HD22 LEU A 95 3.173 11.503 -8.041 1.00 0.00 H new ATOM 0 HD23 LEU A 95 2.240 11.839 -9.518 1.00 0.00 H new ATOM 1410 N LEU A 96 2.711 10.439 -12.393 1.00 0.00 N ATOM 1411 CA LEU A 96 3.618 11.042 -13.355 1.00 0.00 C ATOM 1412 C LEU A 96 4.259 12.285 -12.734 1.00 0.00 C ATOM 1413 O LEU A 96 4.198 12.479 -11.521 1.00 0.00 O ATOM 1414 CB LEU A 96 2.895 11.318 -14.674 1.00 0.00 C ATOM 1415 CG LEU A 96 2.124 10.141 -15.275 1.00 0.00 C ATOM 1416 CD1 LEU A 96 2.936 8.848 -15.181 1.00 0.00 C ATOM 1417 CD2 LEU A 96 0.745 10.000 -14.626 1.00 0.00 C ATOM 0 H LEU A 96 1.771 10.834 -12.388 1.00 0.00 H new ATOM 0 HA LEU A 96 4.426 10.353 -13.600 1.00 0.00 H new ATOM 0 HB2 LEU A 96 2.198 12.142 -14.518 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.630 11.656 -15.404 1.00 0.00 H new ATOM 0 HG LEU A 96 1.963 10.344 -16.334 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.365 8.027 -15.615 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.873 8.966 -15.726 1.00 0.00 H new ATOM 0 HD13 LEU A 96 3.150 8.628 -14.135 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.218 9.156 -15.071 1.00 0.00 H new ATOM 0 HD22 LEU A 96 0.862 9.831 -13.556 1.00 0.00 H new ATOM 0 HD23 LEU A 96 0.171 10.913 -14.788 1.00 0.00 H new ATOM 1429 N ASP A 97 4.861 13.094 -13.594 1.00 0.00 N ATOM 1430 CA ASP A 97 5.513 14.312 -13.145 1.00 0.00 C ATOM 1431 C ASP A 97 6.157 15.012 -14.343 1.00 0.00 C ATOM 1432 O ASP A 97 6.417 14.383 -15.367 1.00 0.00 O ATOM 1433 CB ASP A 97 6.614 14.005 -12.128 1.00 0.00 C ATOM 1434 CG ASP A 97 7.012 15.179 -11.232 1.00 0.00 C ATOM 1435 OD1 ASP A 97 6.596 16.311 -11.561 1.00 0.00 O ATOM 1436 OD2 ASP A 97 7.724 14.919 -10.238 1.00 0.00 O ATOM 0 H ASP A 97 4.911 12.929 -14.599 1.00 0.00 H new ATOM 0 HA ASP A 97 4.759 14.946 -12.679 1.00 0.00 H new ATOM 0 HB2 ASP A 97 6.284 13.181 -11.496 1.00 0.00 H new ATOM 0 HB3 ASP A 97 7.498 13.661 -12.665 1.00 0.00 H new ATOM 1441 N SER A 98 6.396 16.305 -14.175 1.00 0.00 N ATOM 1442 CA SER A 98 7.005 17.096 -15.230 1.00 0.00 C ATOM 1443 C SER A 98 8.527 17.089 -15.077 1.00 0.00 C ATOM 1444 O SER A 98 9.241 16.608 -15.957 1.00 0.00 O ATOM 1445 CB SER A 98 6.477 18.532 -15.215 1.00 0.00 C ATOM 1446 OG SER A 98 5.988 18.934 -16.492 1.00 0.00 O ATOM 0 H SER A 98 6.179 16.824 -13.324 1.00 0.00 H new ATOM 0 HA SER A 98 6.741 16.650 -16.189 1.00 0.00 H new ATOM 0 HB2 SER A 98 5.679 18.617 -14.478 1.00 0.00 H new ATOM 0 HB3 SER A 98 7.273 19.208 -14.902 1.00 0.00 H new ATOM 0 HG SER A 98 5.658 19.855 -16.441 1.00 0.00 H new ATOM 1452 N THR A 99 8.980 17.627 -13.955 1.00 0.00 N ATOM 1453 CA THR A 99 10.405 17.689 -13.676 1.00 0.00 C ATOM 1454 C THR A 99 11.178 18.086 -14.935 1.00 0.00 C ATOM 1455 O THR A 99 12.337 17.707 -15.102 1.00 0.00 O ATOM 1456 CB THR A 99 10.833 16.337 -13.101 1.00 0.00 C ATOM 1457 OG1 THR A 99 12.195 16.532 -12.733 1.00 0.00 O ATOM 1458 CG2 THR A 99 10.888 15.239 -14.166 1.00 0.00 C ATOM 0 H THR A 99 8.385 18.024 -13.228 1.00 0.00 H new ATOM 0 HA THR A 99 10.631 18.459 -12.938 1.00 0.00 H new ATOM 0 HB THR A 99 10.141 16.043 -12.312 1.00 0.00 H new ATOM 0 HG1 THR A 99 12.672 16.975 -13.466 1.00 0.00 H new ATOM 0 HG21 THR A 99 11.197 14.301 -13.705 1.00 0.00 H new ATOM 0 HG22 THR A 99 9.902 15.116 -14.613 1.00 0.00 H new ATOM 0 HG23 THR A 99 11.605 15.517 -14.939 1.00 0.00 H new ATOM 1466 N SER A 100 10.506 18.845 -15.789 1.00 0.00 N ATOM 1467 CA SER A 100 11.116 19.298 -17.027 1.00 0.00 C ATOM 1468 C SER A 100 11.418 20.795 -16.945 1.00 0.00 C ATOM 1469 O SER A 100 10.517 21.622 -17.073 1.00 0.00 O ATOM 1470 CB SER A 100 10.211 19.004 -18.226 1.00 0.00 C ATOM 1471 OG SER A 100 10.375 17.672 -18.704 1.00 0.00 O ATOM 0 H SER A 100 9.545 19.157 -15.647 1.00 0.00 H new ATOM 0 HA SER A 100 12.050 18.753 -17.168 1.00 0.00 H new ATOM 0 HB2 SER A 100 9.170 19.162 -17.942 1.00 0.00 H new ATOM 0 HB3 SER A 100 10.433 19.707 -19.029 1.00 0.00 H new ATOM 0 HG SER A 100 10.099 17.039 -18.009 1.00 0.00 H new ATOM 1477 N SER A 101 12.690 21.099 -16.731 1.00 0.00 N ATOM 1478 CA SER A 101 13.123 22.482 -16.630 1.00 0.00 C ATOM 1479 C SER A 101 14.404 22.690 -17.440 1.00 0.00 C ATOM 1480 O SER A 101 15.099 21.730 -17.766 1.00 0.00 O ATOM 1481 CB SER A 101 13.346 22.884 -15.170 1.00 0.00 C ATOM 1482 OG SER A 101 14.467 22.216 -14.598 1.00 0.00 O ATOM 0 H SER A 101 13.435 20.410 -16.625 1.00 0.00 H new ATOM 0 HA SER A 101 12.337 23.117 -17.037 1.00 0.00 H new ATOM 0 HB2 SER A 101 13.497 23.962 -15.110 1.00 0.00 H new ATOM 0 HB3 SER A 101 12.452 22.654 -14.590 1.00 0.00 H new ATOM 0 HG SER A 101 14.577 22.500 -13.667 1.00 0.00 H new ATOM 1488 N MET A 102 14.677 23.951 -17.742 1.00 0.00 N ATOM 1489 CA MET A 102 15.862 24.298 -18.507 1.00 0.00 C ATOM 1490 C MET A 102 16.763 25.253 -17.721 1.00 0.00 C ATOM 1491 O MET A 102 16.286 26.003 -16.871 1.00 0.00 O ATOM 1492 CB MET A 102 15.445 24.957 -19.824 1.00 0.00 C ATOM 1493 CG MET A 102 14.978 23.910 -20.837 1.00 0.00 C ATOM 1494 SD MET A 102 14.656 24.686 -22.412 1.00 0.00 S ATOM 1495 CE MET A 102 12.872 24.733 -22.375 1.00 0.00 C ATOM 0 H MET A 102 14.097 24.745 -17.470 1.00 0.00 H new ATOM 0 HA MET A 102 16.421 23.384 -18.708 1.00 0.00 H new ATOM 0 HB2 MET A 102 14.644 25.672 -19.639 1.00 0.00 H new ATOM 0 HB3 MET A 102 16.284 25.518 -20.236 1.00 0.00 H new ATOM 0 HG2 MET A 102 15.739 23.138 -20.951 1.00 0.00 H new ATOM 0 HG3 MET A 102 14.076 23.417 -20.474 1.00 0.00 H new ATOM 0 HE1 MET A 102 12.501 25.191 -23.292 1.00 0.00 H new ATOM 0 HE2 MET A 102 12.483 23.718 -22.294 1.00 0.00 H new ATOM 0 HE3 MET A 102 12.541 25.318 -21.517 1.00 0.00 H new ATOM 1505 N HIS A 103 18.049 25.194 -18.034 1.00 0.00 N ATOM 1506 CA HIS A 103 19.021 26.044 -17.367 1.00 0.00 C ATOM 1507 C HIS A 103 20.372 25.931 -18.075 1.00 0.00 C ATOM 1508 O HIS A 103 20.987 24.866 -18.080 1.00 0.00 O ATOM 1509 CB HIS A 103 19.103 25.710 -15.877 1.00 0.00 C ATOM 1510 CG HIS A 103 19.770 24.388 -15.579 1.00 0.00 C ATOM 1511 ND1 HIS A 103 20.764 24.248 -14.627 1.00 0.00 N ATOM 1512 CD2 HIS A 103 19.574 23.150 -16.117 1.00 0.00 C ATOM 1513 CE1 HIS A 103 21.143 22.978 -14.602 1.00 0.00 C ATOM 1514 NE2 HIS A 103 20.405 22.300 -15.527 1.00 0.00 N ATOM 0 H HIS A 103 18.441 24.571 -18.740 1.00 0.00 H new ATOM 0 HA HIS A 103 18.703 27.085 -17.429 1.00 0.00 H new ATOM 0 HB2 HIS A 103 19.649 26.504 -15.367 1.00 0.00 H new ATOM 0 HB3 HIS A 103 18.095 25.698 -15.462 1.00 0.00 H new ATOM 0 HD2 HIS A 103 18.863 22.903 -16.892 1.00 0.00 H new ATOM 0 HE1 HIS A 103 21.903 22.555 -13.962 1.00 0.00 H new ATOM 0 HE2 HIS A 103 20.479 21.304 -15.732 1.00 0.00 H new ATOM 1522 N ASN A 104 20.794 27.044 -18.656 1.00 0.00 N ATOM 1523 CA ASN A 104 22.062 27.084 -19.366 1.00 0.00 C ATOM 1524 C ASN A 104 23.209 27.028 -18.355 1.00 0.00 C ATOM 1525 O ASN A 104 23.001 27.240 -17.162 1.00 0.00 O ATOM 1526 CB ASN A 104 22.203 28.378 -20.170 1.00 0.00 C ATOM 1527 CG ASN A 104 21.968 29.603 -19.284 1.00 0.00 C ATOM 1528 OD1 ASN A 104 20.904 29.798 -18.720 1.00 0.00 O ATOM 1529 ND2 ASN A 104 23.018 30.414 -19.193 1.00 0.00 N ATOM 0 H ASN A 104 20.281 27.925 -18.650 1.00 0.00 H new ATOM 0 HA ASN A 104 22.095 26.232 -20.045 1.00 0.00 H new ATOM 0 HB2 ASN A 104 23.198 28.429 -20.611 1.00 0.00 H new ATOM 0 HB3 ASN A 104 21.489 28.378 -20.994 1.00 0.00 H new ATOM 0 HD21 ASN A 104 22.962 31.259 -18.625 1.00 0.00 H new ATOM 0 HD22 ASN A 104 23.879 30.191 -19.692 1.00 0.00 H new ATOM 1536 N LYS A 105 24.396 26.742 -18.870 1.00 0.00 N ATOM 1537 CA LYS A 105 25.577 26.656 -18.028 1.00 0.00 C ATOM 1538 C LYS A 105 26.797 26.345 -18.897 1.00 0.00 C ATOM 1539 O LYS A 105 26.823 25.334 -19.597 1.00 0.00 O ATOM 1540 CB LYS A 105 25.355 25.651 -16.896 1.00 0.00 C ATOM 1541 CG LYS A 105 25.120 26.367 -15.565 1.00 0.00 C ATOM 1542 CD LYS A 105 26.335 26.228 -14.645 1.00 0.00 C ATOM 1543 CE LYS A 105 27.403 27.268 -14.988 1.00 0.00 C ATOM 1544 NZ LYS A 105 27.391 28.369 -13.999 1.00 0.00 N ATOM 0 H LYS A 105 24.565 26.567 -19.861 1.00 0.00 H new ATOM 0 HA LYS A 105 25.769 27.612 -17.541 1.00 0.00 H new ATOM 0 HB2 LYS A 105 24.498 25.019 -17.129 1.00 0.00 H new ATOM 0 HB3 LYS A 105 26.222 24.995 -16.812 1.00 0.00 H new ATOM 0 HG2 LYS A 105 24.916 27.422 -15.747 1.00 0.00 H new ATOM 0 HG3 LYS A 105 24.239 25.952 -15.075 1.00 0.00 H new ATOM 0 HD2 LYS A 105 26.025 26.348 -13.607 1.00 0.00 H new ATOM 0 HD3 LYS A 105 26.754 25.226 -14.739 1.00 0.00 H new ATOM 0 HE2 LYS A 105 28.386 26.797 -15.005 1.00 0.00 H new ATOM 0 HE3 LYS A 105 27.224 27.666 -15.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 28.122 29.066 -14.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 26.458 28.829 -14.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 27.584 27.987 -13.051 1.00 0.00 H new ATOM 1558 N SER A 106 27.777 27.233 -18.824 1.00 0.00 N ATOM 1559 CA SER A 106 28.997 27.066 -19.596 1.00 0.00 C ATOM 1560 C SER A 106 30.213 27.412 -18.734 1.00 0.00 C ATOM 1561 O SER A 106 30.094 28.141 -17.750 1.00 0.00 O ATOM 1562 CB SER A 106 28.975 27.934 -20.856 1.00 0.00 C ATOM 1563 OG SER A 106 28.773 29.311 -20.552 1.00 0.00 O ATOM 0 H SER A 106 27.751 28.070 -18.242 1.00 0.00 H new ATOM 0 HA SER A 106 29.065 26.024 -19.907 1.00 0.00 H new ATOM 0 HB2 SER A 106 29.915 27.816 -21.394 1.00 0.00 H new ATOM 0 HB3 SER A 106 28.182 27.589 -21.520 1.00 0.00 H new ATOM 0 HG SER A 106 28.767 29.832 -21.382 1.00 0.00 H new ATOM 1569 N GLY A 107 31.355 26.873 -19.134 1.00 0.00 N ATOM 1570 CA GLY A 107 32.591 27.116 -18.411 1.00 0.00 C ATOM 1571 C GLY A 107 33.807 26.913 -19.318 1.00 0.00 C ATOM 1572 O GLY A 107 34.432 25.854 -19.297 1.00 0.00 O ATOM 0 H GLY A 107 31.450 26.269 -19.950 1.00 0.00 H new ATOM 0 HA2 GLY A 107 32.592 28.132 -18.017 1.00 0.00 H new ATOM 0 HA3 GLY A 107 32.654 26.443 -17.556 1.00 0.00 H new ATOM 1576 N PRO A 108 34.113 27.972 -20.114 1.00 0.00 N ATOM 1577 CA PRO A 108 35.242 27.920 -21.027 1.00 0.00 C ATOM 1578 C PRO A 108 36.565 28.061 -20.272 1.00 0.00 C ATOM 1579 O PRO A 108 36.627 28.730 -19.242 1.00 0.00 O ATOM 1580 CB PRO A 108 35.000 29.048 -22.017 1.00 0.00 C ATOM 1581 CG PRO A 108 33.997 29.977 -21.353 1.00 0.00 C ATOM 1582 CD PRO A 108 33.395 29.242 -20.166 1.00 0.00 C ATOM 0 HA PRO A 108 35.321 26.964 -21.544 1.00 0.00 H new ATOM 0 HB2 PRO A 108 35.927 29.573 -22.245 1.00 0.00 H new ATOM 0 HB3 PRO A 108 34.611 28.663 -22.960 1.00 0.00 H new ATOM 0 HG2 PRO A 108 34.485 30.895 -21.026 1.00 0.00 H new ATOM 0 HG3 PRO A 108 33.218 30.265 -22.059 1.00 0.00 H new ATOM 0 HD2 PRO A 108 33.524 29.808 -19.243 1.00 0.00 H new ATOM 0 HD3 PRO A 108 32.324 29.087 -20.298 1.00 0.00 H new ATOM 1590 N SER A 109 37.590 27.421 -20.814 1.00 0.00 N ATOM 1591 CA SER A 109 38.908 27.467 -20.204 1.00 0.00 C ATOM 1592 C SER A 109 39.591 28.796 -20.533 1.00 0.00 C ATOM 1593 O SER A 109 39.477 29.297 -21.650 1.00 0.00 O ATOM 1594 CB SER A 109 39.773 26.295 -20.674 1.00 0.00 C ATOM 1595 OG SER A 109 40.839 26.023 -19.768 1.00 0.00 O ATOM 0 H SER A 109 37.535 26.868 -21.669 1.00 0.00 H new ATOM 0 HA SER A 109 38.788 27.385 -19.124 1.00 0.00 H new ATOM 0 HB2 SER A 109 39.152 25.406 -20.781 1.00 0.00 H new ATOM 0 HB3 SER A 109 40.182 26.518 -21.659 1.00 0.00 H new ATOM 0 HG SER A 109 41.367 25.268 -20.102 1.00 0.00 H new ATOM 1601 N SER A 110 40.285 29.330 -19.538 1.00 0.00 N ATOM 1602 CA SER A 110 40.986 30.591 -19.707 1.00 0.00 C ATOM 1603 C SER A 110 41.832 30.890 -18.468 1.00 0.00 C ATOM 1604 O SER A 110 41.713 30.208 -17.452 1.00 0.00 O ATOM 1605 CB SER A 110 40.005 31.735 -19.969 1.00 0.00 C ATOM 1606 OG SER A 110 39.828 31.979 -21.362 1.00 0.00 O ATOM 0 H SER A 110 40.376 28.912 -18.612 1.00 0.00 H new ATOM 0 HA SER A 110 41.641 30.505 -20.574 1.00 0.00 H new ATOM 0 HB2 SER A 110 39.042 31.497 -19.518 1.00 0.00 H new ATOM 0 HB3 SER A 110 40.368 32.642 -19.486 1.00 0.00 H new ATOM 0 HG SER A 110 39.664 31.131 -21.824 1.00 0.00 H new ATOM 1612 N GLY A 111 42.667 31.911 -18.593 1.00 0.00 N ATOM 1613 CA GLY A 111 43.532 32.309 -17.496 1.00 0.00 C ATOM 1614 C GLY A 111 44.589 31.239 -17.215 1.00 0.00 C ATOM 1615 O GLY A 111 44.742 30.796 -16.078 1.00 0.00 O ATOM 0 H GLY A 111 42.763 32.475 -19.438 1.00 0.00 H new ATOM 0 HA2 GLY A 111 44.020 33.253 -17.737 1.00 0.00 H new ATOM 0 HA3 GLY A 111 42.935 32.479 -16.600 1.00 0.00 H new TER 1619 GLY A 111