USER MOD reduce.3.24.130724 H: found=0, std=0, add=1081, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1081 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 77 HIS : no HE2:sc= -0.263 K(o=0.79,f=-9!) USER MOD Set 1.2: B 159 THR OG1 : rot -2:sc= 1.06 USER MOD Set 2.1: A 79 GLN : amide:sc= -0.125 K(o=-0.12,f=-0.79) USER MOD Set 2.2: A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 18 THR OG1 : rot -110:sc= 1.02 USER MOD Set 3.2: A 57 LYS NZ :NH3+ -155:sc= 1.13 (180deg=-0.364) USER MOD Set 4.1: A 30 THR OG1 : rot 170:sc= -1.96! USER MOD Set 4.2: A 44 LYS NZ :NH3+ -173:sc= 0.81 (180deg=0) USER MOD Set 4.3: A 45 SER OG : rot -11:sc= 1.75 USER MOD Set 5.1: A 42 GLN : amide:sc= -0.0476 X(o=-0.048,f=-0.0034) USER MOD Set 5.2: B 153 SER OG : rot -70:sc= 0 USER MOD Set 6.1: A -3 GLY N :NH3+ 180:sc= 1.25 (180deg=0) USER MOD Set 6.2: A 117 SER OG : rot 162:sc= 1.02 USER MOD Single : A 1 LYS NZ :NH3+ -134:sc= -1.15 (180deg=-2.89!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -2.04 K(o=-2,f=-5.6!) USER MOD Single : A 9 SER OG : rot -10:sc= 0.0978 USER MOD Single : A -1 MET CE :methyl 137:sc= -0.868 (180deg=-1.87) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 HIS : no HE2:sc= -4.33! C(o=-4.3!,f=-11!) USER MOD Single : A 19 LYS NZ :NH3+ 156:sc= -0.187 (180deg=-0.896) USER MOD Single : A 22 LYS NZ :NH3+ -167:sc= -5.59! (180deg=-6.25!) USER MOD Single : A 23 SER OG : rot 169:sc= 0.639 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 58 MET CE :methyl -170:sc= -4.14! (180deg=-4.79) USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.171 USER MOD Single : A 66 SER OG : rot -10:sc= 0.898 USER MOD Single : A 68 ASN : amide:sc= -0.266 K(o=-0.27,f=-2.3!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 CYS SG : rot 180:sc= -0.336 USER MOD Single : A 75 HIS : no HE2:sc= -1.89 K(o=-1.9,f=-4.6!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0.672 K(o=0.67,f=-1) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 98 CYS SG : rot -151:sc= 0.525 USER MOD Single : A 101 TYR OH : rot -47:sc= 0.07 USER MOD Single : A 111 ASN : amide:sc= -0.96 K(o=-0.96,f=-0.012) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0.0616 USER MOD Single : A 113 SER OG : rot -155:sc= -0.935! USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ 171:sc= -0.0356 (180deg=-0.169) USER MOD Single : B 152 SER OG : rot 170:sc= 0 USER MOD Single : B 155 THR OG1 : rot 180:sc= -0.894 USER MOD Single : B 160 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 125.358 15.081 -10.681 1.00 0.00 N ATOM 2 CA GLY A -3 124.640 15.299 -11.932 1.00 0.00 C ATOM 3 C GLY A -3 123.500 16.264 -11.745 1.00 0.00 C ATOM 4 O GLY A -3 122.755 16.161 -10.770 1.00 0.00 O ATOM 0 H1 GLY A -3 126.138 14.412 -10.840 1.00 0.00 H new ATOM 0 H2 GLY A -3 125.742 15.985 -10.339 1.00 0.00 H new ATOM 0 H3 GLY A -3 124.707 14.691 -9.970 1.00 0.00 H new ATOM 0 HA2 GLY A -3 125.326 15.685 -12.686 1.00 0.00 H new ATOM 0 HA3 GLY A -3 124.258 14.349 -12.305 1.00 0.00 H new ATOM 10 N ALA A -2 123.372 17.209 -12.663 1.00 0.00 N ATOM 11 CA ALA A -2 122.314 18.200 -12.612 1.00 0.00 C ATOM 12 C ALA A -2 121.057 17.637 -13.239 1.00 0.00 C ATOM 13 O ALA A -2 119.966 17.724 -12.676 1.00 0.00 O ATOM 14 CB ALA A -2 122.739 19.470 -13.335 1.00 0.00 C ATOM 0 H ALA A -2 123.998 17.309 -13.462 1.00 0.00 H new ATOM 0 HA ALA A -2 122.113 18.449 -11.570 1.00 0.00 H new ATOM 0 HB1 ALA A -2 121.934 20.203 -13.287 1.00 0.00 H new ATOM 0 HB2 ALA A -2 123.630 19.879 -12.859 1.00 0.00 H new ATOM 0 HB3 ALA A -2 122.958 19.239 -14.378 1.00 0.00 H new ATOM 20 N MET A -1 121.224 17.043 -14.383 1.00 0.00 N ATOM 21 CA MET A -1 120.157 16.421 -15.111 1.00 0.00 C ATOM 22 C MET A -1 120.651 15.051 -15.521 1.00 0.00 C ATOM 23 O MET A -1 121.855 14.857 -15.661 1.00 0.00 O ATOM 24 CB MET A -1 119.799 17.271 -16.349 1.00 0.00 C ATOM 25 CG MET A -1 118.658 16.715 -17.201 1.00 0.00 C ATOM 26 SD MET A -1 118.268 17.742 -18.640 1.00 0.00 S ATOM 27 CE MET A -1 119.833 17.725 -19.508 1.00 0.00 C ATOM 0 H MET A -1 122.129 16.976 -14.848 1.00 0.00 H new ATOM 0 HA MET A -1 119.256 16.336 -14.504 1.00 0.00 H new ATOM 0 HB2 MET A -1 119.531 18.274 -16.018 1.00 0.00 H new ATOM 0 HB3 MET A -1 120.686 17.368 -16.974 1.00 0.00 H new ATOM 0 HG2 MET A -1 118.922 15.713 -17.540 1.00 0.00 H new ATOM 0 HG3 MET A -1 117.766 16.617 -16.582 1.00 0.00 H new ATOM 0 HE1 MET A -1 119.656 17.586 -20.575 1.00 0.00 H new ATOM 0 HE2 MET A -1 120.349 18.671 -19.346 1.00 0.00 H new ATOM 0 HE3 MET A -1 120.448 16.907 -19.133 1.00 0.00 H new ATOM 37 N GLY A 0 119.763 14.112 -15.671 1.00 0.00 N ATOM 38 CA GLY A 0 120.173 12.796 -16.052 1.00 0.00 C ATOM 39 C GLY A 0 119.969 11.794 -14.976 1.00 0.00 C ATOM 40 O GLY A 0 120.494 10.677 -15.052 1.00 0.00 O ATOM 0 H GLY A 0 118.759 14.233 -15.536 1.00 0.00 H new ATOM 0 HA2 GLY A 0 119.616 12.489 -16.938 1.00 0.00 H new ATOM 0 HA3 GLY A 0 121.227 12.815 -16.329 1.00 0.00 H new ATOM 44 N LYS A 1 119.200 12.167 -13.997 1.00 0.00 N ATOM 45 CA LYS A 1 118.893 11.315 -12.898 1.00 0.00 C ATOM 46 C LYS A 1 117.506 10.756 -13.106 1.00 0.00 C ATOM 47 O LYS A 1 116.739 11.322 -13.888 1.00 0.00 O ATOM 48 CB LYS A 1 118.943 12.078 -11.577 1.00 0.00 C ATOM 49 CG LYS A 1 120.279 12.728 -11.300 1.00 0.00 C ATOM 50 CD LYS A 1 120.346 14.170 -11.776 1.00 0.00 C ATOM 51 CE LYS A 1 119.467 15.067 -10.916 1.00 0.00 C ATOM 52 NZ LYS A 1 118.049 15.180 -11.355 1.00 0.00 N ATOM 0 H LYS A 1 118.764 13.087 -13.943 1.00 0.00 H new ATOM 0 HA LYS A 1 119.631 10.514 -12.850 1.00 0.00 H new ATOM 0 HB2 LYS A 1 118.170 12.846 -11.582 1.00 0.00 H new ATOM 0 HB3 LYS A 1 118.707 11.393 -10.763 1.00 0.00 H new ATOM 0 HG2 LYS A 1 120.478 12.695 -10.229 1.00 0.00 H new ATOM 0 HG3 LYS A 1 121.065 12.153 -11.789 1.00 0.00 H new ATOM 0 HD2 LYS A 1 121.377 14.522 -11.740 1.00 0.00 H new ATOM 0 HD3 LYS A 1 120.025 14.229 -12.816 1.00 0.00 H new ATOM 0 HE2 LYS A 1 119.484 14.691 -9.893 1.00 0.00 H new ATOM 0 HE3 LYS A 1 119.904 16.065 -10.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 117.760 16.179 -11.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 117.954 14.806 -12.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 117.442 14.634 -10.711 1.00 0.00 H new ATOM 66 N PRO A 2 117.169 9.615 -12.497 1.00 0.00 N ATOM 67 CA PRO A 2 115.807 9.089 -12.537 1.00 0.00 C ATOM 68 C PRO A 2 114.857 10.006 -11.791 1.00 0.00 C ATOM 69 O PRO A 2 115.282 10.932 -11.073 1.00 0.00 O ATOM 70 CB PRO A 2 115.901 7.748 -11.809 1.00 0.00 C ATOM 71 CG PRO A 2 117.338 7.410 -11.807 1.00 0.00 C ATOM 72 CD PRO A 2 118.072 8.717 -11.773 1.00 0.00 C ATOM 0 HA PRO A 2 115.431 8.999 -13.556 1.00 0.00 H new ATOM 0 HB2 PRO A 2 115.512 7.823 -10.793 1.00 0.00 H new ATOM 0 HB3 PRO A 2 115.317 6.982 -12.318 1.00 0.00 H new ATOM 0 HG2 PRO A 2 117.593 6.797 -10.942 1.00 0.00 H new ATOM 0 HG3 PRO A 2 117.605 6.836 -12.694 1.00 0.00 H new ATOM 0 HD2 PRO A 2 118.247 9.056 -10.752 1.00 0.00 H new ATOM 0 HD3 PRO A 2 119.046 8.647 -12.257 1.00 0.00 H new ATOM 80 N PHE A 3 113.601 9.736 -11.954 1.00 0.00 N ATOM 81 CA PHE A 3 112.552 10.495 -11.358 1.00 0.00 C ATOM 82 C PHE A 3 112.569 10.333 -9.850 1.00 0.00 C ATOM 83 O PHE A 3 112.771 9.228 -9.322 1.00 0.00 O ATOM 84 CB PHE A 3 111.195 10.121 -11.981 1.00 0.00 C ATOM 85 CG PHE A 3 110.904 8.656 -11.999 1.00 0.00 C ATOM 86 CD1 PHE A 3 110.343 8.055 -10.912 1.00 0.00 C ATOM 87 CD2 PHE A 3 111.202 7.888 -13.108 1.00 0.00 C ATOM 88 CE1 PHE A 3 110.075 6.720 -10.908 1.00 0.00 C ATOM 89 CE2 PHE A 3 110.936 6.536 -13.121 1.00 0.00 C ATOM 90 CZ PHE A 3 110.368 5.948 -12.012 1.00 0.00 C ATOM 0 H PHE A 3 113.269 8.957 -12.523 1.00 0.00 H new ATOM 0 HA PHE A 3 112.713 11.553 -11.564 1.00 0.00 H new ATOM 0 HB2 PHE A 3 110.404 10.629 -11.429 1.00 0.00 H new ATOM 0 HB3 PHE A 3 111.163 10.498 -13.003 1.00 0.00 H new ATOM 0 HD1 PHE A 3 110.107 8.647 -10.040 1.00 0.00 H new ATOM 0 HD2 PHE A 3 111.649 8.353 -13.975 1.00 0.00 H new ATOM 0 HE1 PHE A 3 109.631 6.264 -10.036 1.00 0.00 H new ATOM 0 HE2 PHE A 3 111.171 5.943 -13.992 1.00 0.00 H new ATOM 0 HZ PHE A 3 110.154 4.889 -12.008 1.00 0.00 H new ATOM 100 N PHE A 4 112.442 11.427 -9.188 1.00 0.00 N ATOM 101 CA PHE A 4 112.478 11.480 -7.755 1.00 0.00 C ATOM 102 C PHE A 4 111.576 12.558 -7.198 1.00 0.00 C ATOM 103 O PHE A 4 111.471 13.668 -7.747 1.00 0.00 O ATOM 104 CB PHE A 4 113.928 11.759 -7.259 1.00 0.00 C ATOM 105 CG PHE A 4 114.020 12.180 -5.789 1.00 0.00 C ATOM 106 CD1 PHE A 4 113.862 13.522 -5.442 1.00 0.00 C ATOM 107 CD2 PHE A 4 114.208 11.263 -4.770 1.00 0.00 C ATOM 108 CE1 PHE A 4 113.885 13.930 -4.142 1.00 0.00 C ATOM 109 CE2 PHE A 4 114.241 11.684 -3.458 1.00 0.00 C ATOM 110 CZ PHE A 4 114.077 13.015 -3.144 1.00 0.00 C ATOM 0 H PHE A 4 112.307 12.336 -9.630 1.00 0.00 H new ATOM 0 HA PHE A 4 112.127 10.510 -7.401 1.00 0.00 H new ATOM 0 HB2 PHE A 4 114.529 10.862 -7.406 1.00 0.00 H new ATOM 0 HB3 PHE A 4 114.367 12.542 -7.877 1.00 0.00 H new ATOM 0 HD1 PHE A 4 113.718 14.255 -6.222 1.00 0.00 H new ATOM 0 HD2 PHE A 4 114.329 10.215 -5.003 1.00 0.00 H new ATOM 0 HE1 PHE A 4 113.752 14.974 -3.900 1.00 0.00 H new ATOM 0 HE2 PHE A 4 114.397 10.963 -2.669 1.00 0.00 H new ATOM 0 HZ PHE A 4 114.100 13.335 -2.113 1.00 0.00 H new ATOM 120 N THR A 5 110.936 12.213 -6.132 1.00 0.00 N ATOM 121 CA THR A 5 110.354 13.147 -5.243 1.00 0.00 C ATOM 122 C THR A 5 110.227 12.594 -3.864 1.00 0.00 C ATOM 123 O THR A 5 110.700 13.229 -2.906 1.00 0.00 O ATOM 124 CB THR A 5 109.101 13.928 -5.755 1.00 0.00 C ATOM 125 OG1 THR A 5 108.697 14.928 -4.792 1.00 0.00 O ATOM 126 CG2 THR A 5 107.928 13.024 -6.063 1.00 0.00 C ATOM 0 H THR A 5 110.802 11.242 -5.851 1.00 0.00 H new ATOM 0 HA THR A 5 111.080 13.958 -5.195 1.00 0.00 H new ATOM 0 HB THR A 5 109.400 14.407 -6.687 1.00 0.00 H new ATOM 0 HG1 THR A 5 107.912 15.409 -5.129 1.00 0.00 H new ATOM 0 HG21 THR A 5 107.089 13.624 -6.414 1.00 0.00 H new ATOM 0 HG22 THR A 5 108.212 12.310 -6.836 1.00 0.00 H new ATOM 0 HG23 THR A 5 107.637 12.486 -5.161 1.00 0.00 H new ATOM 134 N ARG A 6 109.681 11.397 -3.785 1.00 0.00 N ATOM 135 CA ARG A 6 109.376 10.656 -2.514 1.00 0.00 C ATOM 136 C ARG A 6 108.255 9.724 -2.800 1.00 0.00 C ATOM 137 O ARG A 6 108.129 8.658 -2.249 1.00 0.00 O ATOM 138 CB ARG A 6 108.895 11.641 -1.430 1.00 0.00 C ATOM 139 CG ARG A 6 107.659 12.466 -1.795 1.00 0.00 C ATOM 140 CD ARG A 6 107.666 13.719 -0.979 1.00 0.00 C ATOM 141 NE ARG A 6 107.454 13.431 0.450 1.00 0.00 N ATOM 142 CZ ARG A 6 108.299 13.715 1.463 1.00 0.00 C ATOM 143 NH1 ARG A 6 109.511 14.239 1.224 1.00 0.00 N ATOM 144 NH2 ARG A 6 107.945 13.423 2.707 1.00 0.00 N ATOM 0 H ARG A 6 109.417 10.870 -4.617 1.00 0.00 H new ATOM 0 HA ARG A 6 110.268 10.134 -2.168 1.00 0.00 H new ATOM 0 HB2 ARG A 6 108.680 11.078 -0.521 1.00 0.00 H new ATOM 0 HB3 ARG A 6 109.711 12.325 -1.196 1.00 0.00 H new ATOM 0 HG2 ARG A 6 107.665 12.706 -2.858 1.00 0.00 H new ATOM 0 HG3 ARG A 6 106.751 11.894 -1.602 1.00 0.00 H new ATOM 0 HD2 ARG A 6 108.617 14.235 -1.110 1.00 0.00 H new ATOM 0 HD3 ARG A 6 106.886 14.392 -1.336 1.00 0.00 H new ATOM 0 HE ARG A 6 106.579 12.970 0.699 1.00 0.00 H new ATOM 0 HH11 ARG A 6 109.805 14.428 0.266 1.00 0.00 H new ATOM 0 HH12 ARG A 6 110.138 14.448 2.001 1.00 0.00 H new ATOM 0 HH21 ARG A 6 107.041 12.988 2.891 1.00 0.00 H new ATOM 0 HH22 ARG A 6 108.577 13.634 3.480 1.00 0.00 H new ATOM 158 N ASN A 7 107.494 10.159 -3.713 1.00 0.00 N ATOM 159 CA ASN A 7 106.240 9.592 -4.088 1.00 0.00 C ATOM 160 C ASN A 7 106.321 8.106 -4.524 1.00 0.00 C ATOM 161 O ASN A 7 106.890 7.743 -5.558 1.00 0.00 O ATOM 162 CB ASN A 7 105.707 10.503 -5.144 1.00 0.00 C ATOM 163 CG ASN A 7 104.490 10.076 -5.856 1.00 0.00 C ATOM 164 OD1 ASN A 7 103.629 9.343 -5.350 1.00 0.00 O ATOM 165 ND2 ASN A 7 104.413 10.565 -7.031 1.00 0.00 N ATOM 0 H ASN A 7 107.733 10.980 -4.269 1.00 0.00 H new ATOM 0 HA ASN A 7 105.564 9.534 -3.235 1.00 0.00 H new ATOM 0 HB2 ASN A 7 105.506 11.471 -4.684 1.00 0.00 H new ATOM 0 HB3 ASN A 7 106.493 10.658 -5.883 1.00 0.00 H new ATOM 0 HD21 ASN A 7 103.604 10.359 -7.617 1.00 0.00 H new ATOM 0 HD22 ASN A 7 105.160 11.162 -7.385 1.00 0.00 H new ATOM 172 N PRO A 8 105.690 7.222 -3.731 1.00 0.00 N ATOM 173 CA PRO A 8 105.698 5.781 -3.986 1.00 0.00 C ATOM 174 C PRO A 8 105.127 5.485 -5.307 1.00 0.00 C ATOM 175 O PRO A 8 105.509 4.552 -6.002 1.00 0.00 O ATOM 176 CB PRO A 8 104.682 5.232 -3.040 1.00 0.00 C ATOM 177 CG PRO A 8 104.248 6.295 -2.121 1.00 0.00 C ATOM 178 CD PRO A 8 104.925 7.563 -2.512 1.00 0.00 C ATOM 0 HA PRO A 8 106.712 5.389 -3.900 1.00 0.00 H new ATOM 0 HB2 PRO A 8 103.827 4.842 -3.593 1.00 0.00 H new ATOM 0 HB3 PRO A 8 105.105 4.399 -2.478 1.00 0.00 H new ATOM 0 HG2 PRO A 8 103.165 6.415 -2.164 1.00 0.00 H new ATOM 0 HG3 PRO A 8 104.499 6.033 -1.093 1.00 0.00 H new ATOM 0 HD2 PRO A 8 104.201 8.354 -2.708 1.00 0.00 H new ATOM 0 HD3 PRO A 8 105.582 7.921 -1.720 1.00 0.00 H new ATOM 186 N SER A 9 104.185 6.263 -5.609 1.00 0.00 N ATOM 187 CA SER A 9 103.429 6.110 -6.715 1.00 0.00 C ATOM 188 C SER A 9 104.138 6.641 -7.990 1.00 0.00 C ATOM 189 O SER A 9 103.693 6.364 -9.103 1.00 0.00 O ATOM 190 CB SER A 9 102.120 6.753 -6.428 1.00 0.00 C ATOM 191 OG SER A 9 101.430 6.044 -5.417 1.00 0.00 O ATOM 0 H SER A 9 103.922 7.068 -5.041 1.00 0.00 H new ATOM 0 HA SER A 9 103.267 5.056 -6.943 1.00 0.00 H new ATOM 0 HB2 SER A 9 102.276 7.785 -6.114 1.00 0.00 H new ATOM 0 HB3 SER A 9 101.517 6.784 -7.335 1.00 0.00 H new ATOM 0 HG SER A 9 101.891 5.198 -5.238 1.00 0.00 H new ATOM 197 N GLU A 10 105.253 7.405 -7.830 1.00 0.00 N ATOM 198 CA GLU A 10 106.034 7.799 -8.995 1.00 0.00 C ATOM 199 C GLU A 10 106.857 6.605 -9.374 1.00 0.00 C ATOM 200 O GLU A 10 107.068 6.331 -10.561 1.00 0.00 O ATOM 201 CB GLU A 10 106.960 9.020 -8.729 1.00 0.00 C ATOM 202 CG GLU A 10 108.193 8.755 -7.864 1.00 0.00 C ATOM 203 CD GLU A 10 108.887 10.007 -7.452 1.00 0.00 C ATOM 204 OE1 GLU A 10 109.077 10.893 -8.314 1.00 0.00 O ATOM 205 OE2 GLU A 10 109.202 10.162 -6.233 1.00 0.00 O ATOM 0 H GLU A 10 105.607 7.741 -6.934 1.00 0.00 H new ATOM 0 HA GLU A 10 105.359 8.112 -9.792 1.00 0.00 H new ATOM 0 HB2 GLU A 10 107.293 9.413 -9.689 1.00 0.00 H new ATOM 0 HB3 GLU A 10 106.368 9.802 -8.252 1.00 0.00 H new ATOM 0 HG2 GLU A 10 107.895 8.200 -6.974 1.00 0.00 H new ATOM 0 HG3 GLU A 10 108.889 8.123 -8.415 1.00 0.00 H new ATOM 212 N LEU A 11 107.290 5.871 -8.328 1.00 0.00 N ATOM 213 CA LEU A 11 108.055 4.654 -8.485 1.00 0.00 C ATOM 214 C LEU A 11 107.332 3.683 -9.379 1.00 0.00 C ATOM 215 O LEU A 11 106.129 3.427 -9.232 1.00 0.00 O ATOM 216 CB LEU A 11 108.394 4.035 -7.133 1.00 0.00 C ATOM 217 CG LEU A 11 109.289 4.886 -6.223 1.00 0.00 C ATOM 218 CD1 LEU A 11 109.537 4.175 -4.913 1.00 0.00 C ATOM 219 CD2 LEU A 11 110.614 5.197 -6.909 1.00 0.00 C ATOM 0 H LEU A 11 107.109 6.121 -7.356 1.00 0.00 H new ATOM 0 HA LEU A 11 109.000 4.905 -8.966 1.00 0.00 H new ATOM 0 HB2 LEU A 11 107.464 3.826 -6.605 1.00 0.00 H new ATOM 0 HB3 LEU A 11 108.886 3.077 -7.304 1.00 0.00 H new ATOM 0 HG LEU A 11 108.774 5.825 -6.021 1.00 0.00 H new ATOM 0 HD11 LEU A 11 110.174 4.792 -4.279 1.00 0.00 H new ATOM 0 HD12 LEU A 11 108.587 3.997 -4.410 1.00 0.00 H new ATOM 0 HD13 LEU A 11 110.030 3.222 -5.104 1.00 0.00 H new ATOM 0 HD21 LEU A 11 111.234 5.801 -6.247 1.00 0.00 H new ATOM 0 HD22 LEU A 11 111.131 4.266 -7.140 1.00 0.00 H new ATOM 0 HD23 LEU A 11 110.426 5.747 -7.831 1.00 0.00 H new ATOM 231 N LYS A 12 108.066 3.203 -10.332 1.00 0.00 N ATOM 232 CA LYS A 12 107.549 2.355 -11.381 1.00 0.00 C ATOM 233 C LYS A 12 107.315 0.923 -10.937 1.00 0.00 C ATOM 234 O LYS A 12 107.629 0.549 -9.811 1.00 0.00 O ATOM 235 CB LYS A 12 108.479 2.355 -12.578 1.00 0.00 C ATOM 236 CG LYS A 12 109.866 1.866 -12.253 1.00 0.00 C ATOM 237 CD LYS A 12 110.499 1.205 -13.461 1.00 0.00 C ATOM 238 CE LYS A 12 109.880 -0.162 -13.759 1.00 0.00 C ATOM 239 NZ LYS A 12 110.428 -0.773 -14.989 1.00 0.00 N ATOM 0 H LYS A 12 109.066 3.389 -10.412 1.00 0.00 H new ATOM 0 HA LYS A 12 106.581 2.777 -11.652 1.00 0.00 H new ATOM 0 HB2 LYS A 12 108.053 1.727 -13.360 1.00 0.00 H new ATOM 0 HB3 LYS A 12 108.542 3.366 -12.980 1.00 0.00 H new ATOM 0 HG2 LYS A 12 110.484 2.702 -11.924 1.00 0.00 H new ATOM 0 HG3 LYS A 12 109.822 1.157 -11.426 1.00 0.00 H new ATOM 0 HD2 LYS A 12 110.383 1.852 -14.330 1.00 0.00 H new ATOM 0 HD3 LYS A 12 111.569 1.089 -13.291 1.00 0.00 H new ATOM 0 HE2 LYS A 12 110.056 -0.829 -12.915 1.00 0.00 H new ATOM 0 HE3 LYS A 12 108.800 -0.055 -13.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 109.978 -1.697 -15.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 110.238 -0.151 -15.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 111.455 -0.902 -14.885 1.00 0.00 H new ATOM 253 N GLY A 13 106.830 0.127 -11.879 1.00 0.00 N ATOM 254 CA GLY A 13 106.524 -1.259 -11.637 1.00 0.00 C ATOM 255 C GLY A 13 105.229 -1.454 -10.879 1.00 0.00 C ATOM 256 O GLY A 13 104.134 -1.119 -11.366 1.00 0.00 O ATOM 0 H GLY A 13 106.640 0.434 -12.833 1.00 0.00 H new ATOM 0 HA2 GLY A 13 106.463 -1.784 -12.590 1.00 0.00 H new ATOM 0 HA3 GLY A 13 107.340 -1.713 -11.075 1.00 0.00 H new ATOM 260 N LYS A 14 105.347 -1.967 -9.702 1.00 0.00 N ATOM 261 CA LYS A 14 104.221 -2.254 -8.854 1.00 0.00 C ATOM 262 C LYS A 14 104.426 -1.652 -7.496 1.00 0.00 C ATOM 263 O LYS A 14 105.548 -1.465 -7.050 1.00 0.00 O ATOM 264 CB LYS A 14 103.928 -3.764 -8.726 1.00 0.00 C ATOM 265 CG LYS A 14 105.119 -4.604 -8.362 1.00 0.00 C ATOM 266 CD LYS A 14 105.918 -5.071 -9.581 1.00 0.00 C ATOM 267 CE LYS A 14 105.136 -6.089 -10.395 1.00 0.00 C ATOM 268 NZ LYS A 14 105.896 -6.582 -11.564 1.00 0.00 N ATOM 0 H LYS A 14 106.246 -2.207 -9.285 1.00 0.00 H new ATOM 0 HA LYS A 14 103.350 -1.804 -9.330 1.00 0.00 H new ATOM 0 HB2 LYS A 14 103.154 -3.908 -7.972 1.00 0.00 H new ATOM 0 HB3 LYS A 14 103.522 -4.123 -9.672 1.00 0.00 H new ATOM 0 HG2 LYS A 14 105.773 -4.032 -7.704 1.00 0.00 H new ATOM 0 HG3 LYS A 14 104.784 -5.475 -7.799 1.00 0.00 H new ATOM 0 HD2 LYS A 14 106.165 -4.214 -10.207 1.00 0.00 H new ATOM 0 HD3 LYS A 14 106.861 -5.510 -9.255 1.00 0.00 H new ATOM 0 HE2 LYS A 14 104.869 -6.932 -9.757 1.00 0.00 H new ATOM 0 HE3 LYS A 14 104.204 -5.639 -10.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 105.320 -7.273 -12.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 106.129 -5.784 -12.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 106.774 -7.037 -11.241 1.00 0.00 H new ATOM 282 N PHE A 15 103.356 -1.388 -6.855 1.00 0.00 N ATOM 283 CA PHE A 15 103.322 -0.775 -5.588 1.00 0.00 C ATOM 284 C PHE A 15 102.649 -1.770 -4.677 1.00 0.00 C ATOM 285 O PHE A 15 101.495 -2.140 -4.909 1.00 0.00 O ATOM 286 CB PHE A 15 102.489 0.494 -5.745 1.00 0.00 C ATOM 287 CG PHE A 15 102.391 1.416 -4.570 1.00 0.00 C ATOM 288 CD1 PHE A 15 103.222 1.298 -3.478 1.00 0.00 C ATOM 289 CD2 PHE A 15 101.463 2.429 -4.588 1.00 0.00 C ATOM 290 CE1 PHE A 15 103.120 2.173 -2.426 1.00 0.00 C ATOM 291 CE2 PHE A 15 101.358 3.316 -3.543 1.00 0.00 C ATOM 292 CZ PHE A 15 102.184 3.188 -2.458 1.00 0.00 C ATOM 0 H PHE A 15 102.429 -1.606 -7.220 1.00 0.00 H new ATOM 0 HA PHE A 15 104.299 -0.509 -5.186 1.00 0.00 H new ATOM 0 HB2 PHE A 15 102.897 1.061 -6.582 1.00 0.00 H new ATOM 0 HB3 PHE A 15 101.478 0.198 -6.023 1.00 0.00 H new ATOM 0 HD1 PHE A 15 103.960 0.510 -3.450 1.00 0.00 H new ATOM 0 HD2 PHE A 15 100.804 2.530 -5.438 1.00 0.00 H new ATOM 0 HE1 PHE A 15 103.773 2.068 -1.572 1.00 0.00 H new ATOM 0 HE2 PHE A 15 100.627 4.110 -3.577 1.00 0.00 H new ATOM 0 HZ PHE A 15 102.104 3.878 -1.631 1.00 0.00 H new ATOM 302 N ILE A 16 103.370 -2.256 -3.712 1.00 0.00 N ATOM 303 CA ILE A 16 102.859 -3.256 -2.823 1.00 0.00 C ATOM 304 C ILE A 16 103.068 -2.865 -1.385 1.00 0.00 C ATOM 305 O ILE A 16 104.096 -2.313 -1.013 1.00 0.00 O ATOM 306 CB ILE A 16 103.416 -4.705 -3.076 1.00 0.00 C ATOM 307 CG1 ILE A 16 104.976 -4.776 -3.178 1.00 0.00 C ATOM 308 CG2 ILE A 16 102.747 -5.359 -4.276 1.00 0.00 C ATOM 309 CD1 ILE A 16 105.590 -4.295 -4.516 1.00 0.00 C ATOM 0 H ILE A 16 104.330 -1.970 -3.518 1.00 0.00 H new ATOM 0 HA ILE A 16 101.792 -3.302 -3.042 1.00 0.00 H new ATOM 0 HB ILE A 16 103.155 -5.278 -2.186 1.00 0.00 H new ATOM 0 HG12 ILE A 16 105.401 -4.180 -2.371 1.00 0.00 H new ATOM 0 HG13 ILE A 16 105.285 -5.808 -3.009 1.00 0.00 H new ATOM 0 HG21 ILE A 16 103.157 -6.359 -4.421 1.00 0.00 H new ATOM 0 HG22 ILE A 16 101.673 -5.429 -4.101 1.00 0.00 H new ATOM 0 HG23 ILE A 16 102.931 -4.759 -5.167 1.00 0.00 H new ATOM 0 HD11 ILE A 16 106.675 -4.389 -4.473 1.00 0.00 H new ATOM 0 HD12 ILE A 16 105.205 -4.905 -5.333 1.00 0.00 H new ATOM 0 HD13 ILE A 16 105.323 -3.252 -4.685 1.00 0.00 H new ATOM 321 N HIS A 17 102.104 -3.135 -0.589 1.00 0.00 N ATOM 322 CA HIS A 17 102.168 -2.804 0.789 1.00 0.00 C ATOM 323 C HIS A 17 101.923 -4.088 1.556 1.00 0.00 C ATOM 324 O HIS A 17 100.788 -4.540 1.708 1.00 0.00 O ATOM 325 CB HIS A 17 101.104 -1.745 1.079 1.00 0.00 C ATOM 326 CG HIS A 17 101.166 -1.081 2.422 1.00 0.00 C ATOM 327 ND1 HIS A 17 101.343 0.280 2.599 1.00 0.00 N ATOM 328 CD2 HIS A 17 101.003 -1.590 3.655 1.00 0.00 C ATOM 329 CE1 HIS A 17 101.282 0.538 3.893 1.00 0.00 C ATOM 330 NE2 HIS A 17 101.075 -0.560 4.581 1.00 0.00 N ATOM 0 H HIS A 17 101.240 -3.596 -0.874 1.00 0.00 H new ATOM 0 HA HIS A 17 103.132 -2.390 1.083 1.00 0.00 H new ATOM 0 HB2 HIS A 17 101.175 -0.972 0.313 1.00 0.00 H new ATOM 0 HB3 HIS A 17 100.124 -2.209 0.973 1.00 0.00 H new ATOM 0 HD1 HIS A 17 101.494 0.965 1.859 1.00 0.00 H new ATOM 0 HD2 HIS A 17 100.842 -2.632 3.887 1.00 0.00 H new ATOM 0 HE1 HIS A 17 101.388 1.521 4.327 1.00 0.00 H new ATOM 338 N THR A 18 102.978 -4.670 1.999 1.00 0.00 N ATOM 339 CA THR A 18 102.917 -5.939 2.666 1.00 0.00 C ATOM 340 C THR A 18 103.296 -5.816 4.148 1.00 0.00 C ATOM 341 O THR A 18 104.269 -5.174 4.503 1.00 0.00 O ATOM 342 CB THR A 18 103.824 -6.995 1.944 1.00 0.00 C ATOM 343 OG1 THR A 18 103.672 -8.291 2.551 1.00 0.00 O ATOM 344 CG2 THR A 18 105.311 -6.592 1.947 1.00 0.00 C ATOM 0 H THR A 18 103.919 -4.285 1.913 1.00 0.00 H new ATOM 0 HA THR A 18 101.885 -6.285 2.618 1.00 0.00 H new ATOM 0 HB THR A 18 103.494 -7.035 0.906 1.00 0.00 H new ATOM 0 HG1 THR A 18 104.494 -8.526 3.031 1.00 0.00 H new ATOM 0 HG21 THR A 18 105.896 -7.356 1.435 1.00 0.00 H new ATOM 0 HG22 THR A 18 105.431 -5.638 1.433 1.00 0.00 H new ATOM 0 HG23 THR A 18 105.660 -6.496 2.975 1.00 0.00 H new ATOM 352 N LYS A 19 102.512 -6.420 4.994 1.00 0.00 N ATOM 353 CA LYS A 19 102.795 -6.446 6.416 1.00 0.00 C ATOM 354 C LYS A 19 103.906 -7.438 6.654 1.00 0.00 C ATOM 355 O LYS A 19 103.912 -8.518 6.057 1.00 0.00 O ATOM 356 CB LYS A 19 101.504 -6.811 7.194 1.00 0.00 C ATOM 357 CG LYS A 19 101.569 -6.903 8.737 1.00 0.00 C ATOM 358 CD LYS A 19 102.207 -8.196 9.261 1.00 0.00 C ATOM 359 CE LYS A 19 101.916 -8.387 10.732 1.00 0.00 C ATOM 360 NZ LYS A 19 100.462 -8.412 11.027 1.00 0.00 N ATOM 0 H LYS A 19 101.658 -6.910 4.727 1.00 0.00 H new ATOM 0 HA LYS A 19 103.120 -5.469 6.774 1.00 0.00 H new ATOM 0 HB2 LYS A 19 100.744 -6.073 6.938 1.00 0.00 H new ATOM 0 HB3 LYS A 19 101.153 -7.773 6.820 1.00 0.00 H new ATOM 0 HG2 LYS A 19 102.134 -6.052 9.118 1.00 0.00 H new ATOM 0 HG3 LYS A 19 100.559 -6.820 9.138 1.00 0.00 H new ATOM 0 HD2 LYS A 19 101.826 -9.048 8.698 1.00 0.00 H new ATOM 0 HD3 LYS A 19 103.285 -8.165 9.101 1.00 0.00 H new ATOM 0 HE2 LYS A 19 102.368 -9.320 11.070 1.00 0.00 H new ATOM 0 HE3 LYS A 19 102.384 -7.582 11.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 100.297 -8.929 11.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 100.111 -7.438 11.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 99.958 -8.886 10.250 1.00 0.00 H new ATOM 374 N LEU A 20 104.846 -7.080 7.493 1.00 0.00 N ATOM 375 CA LEU A 20 105.939 -7.941 7.786 1.00 0.00 C ATOM 376 C LEU A 20 106.014 -8.115 9.259 1.00 0.00 C ATOM 377 O LEU A 20 106.134 -7.126 10.022 1.00 0.00 O ATOM 378 CB LEU A 20 107.246 -7.379 7.229 1.00 0.00 C ATOM 379 CG LEU A 20 107.967 -8.241 6.184 1.00 0.00 C ATOM 380 CD1 LEU A 20 107.057 -8.670 5.052 1.00 0.00 C ATOM 381 CD2 LEU A 20 109.111 -7.477 5.631 1.00 0.00 C ATOM 0 H LEU A 20 104.866 -6.186 7.984 1.00 0.00 H new ATOM 0 HA LEU A 20 105.784 -8.909 7.310 1.00 0.00 H new ATOM 0 HB2 LEU A 20 107.038 -6.406 6.785 1.00 0.00 H new ATOM 0 HB3 LEU A 20 107.928 -7.210 8.062 1.00 0.00 H new ATOM 0 HG LEU A 20 108.308 -9.147 6.685 1.00 0.00 H new ATOM 0 HD11 LEU A 20 107.620 -9.277 4.343 1.00 0.00 H new ATOM 0 HD12 LEU A 20 106.229 -9.254 5.453 1.00 0.00 H new ATOM 0 HD13 LEU A 20 106.667 -7.788 4.545 1.00 0.00 H new ATOM 0 HD21 LEU A 20 109.628 -8.084 4.888 1.00 0.00 H new ATOM 0 HD22 LEU A 20 108.746 -6.563 5.163 1.00 0.00 H new ATOM 0 HD23 LEU A 20 109.801 -7.222 6.435 1.00 0.00 H new ATOM 393 N ARG A 21 105.924 -9.326 9.680 1.00 0.00 N ATOM 394 CA ARG A 21 105.949 -9.639 11.053 1.00 0.00 C ATOM 395 C ARG A 21 107.399 -9.574 11.533 1.00 0.00 C ATOM 396 O ARG A 21 108.270 -10.131 10.926 1.00 0.00 O ATOM 397 CB ARG A 21 105.394 -11.037 11.295 1.00 0.00 C ATOM 398 CG ARG A 21 105.250 -11.382 12.760 1.00 0.00 C ATOM 399 CD ARG A 21 104.894 -12.834 12.967 1.00 0.00 C ATOM 400 NE ARG A 21 104.683 -13.117 14.389 1.00 0.00 N ATOM 401 CZ ARG A 21 105.281 -14.074 15.112 1.00 0.00 C ATOM 402 NH1 ARG A 21 106.163 -14.905 14.558 1.00 0.00 N ATOM 403 NH2 ARG A 21 104.987 -14.188 16.399 1.00 0.00 N ATOM 0 H ARG A 21 105.830 -10.135 9.066 1.00 0.00 H new ATOM 0 HA ARG A 21 105.331 -8.927 11.600 1.00 0.00 H new ATOM 0 HB2 ARG A 21 104.420 -11.122 10.812 1.00 0.00 H new ATOM 0 HB3 ARG A 21 106.050 -11.767 10.820 1.00 0.00 H new ATOM 0 HG2 ARG A 21 106.183 -11.160 13.278 1.00 0.00 H new ATOM 0 HG3 ARG A 21 104.480 -10.753 13.207 1.00 0.00 H new ATOM 0 HD2 ARG A 21 103.992 -13.076 12.405 1.00 0.00 H new ATOM 0 HD3 ARG A 21 105.691 -13.468 12.579 1.00 0.00 H new ATOM 0 HE ARG A 21 104.012 -12.525 14.879 1.00 0.00 H new ATOM 0 HH11 ARG A 21 106.393 -14.819 13.568 1.00 0.00 H new ATOM 0 HH12 ARG A 21 106.608 -15.627 15.124 1.00 0.00 H new ATOM 0 HH21 ARG A 21 104.314 -13.552 16.827 1.00 0.00 H new ATOM 0 HH22 ARG A 21 105.434 -14.912 16.962 1.00 0.00 H new ATOM 417 N LYS A 22 107.652 -8.765 12.517 1.00 0.00 N ATOM 418 CA LYS A 22 108.931 -8.667 13.166 1.00 0.00 C ATOM 419 C LYS A 22 109.431 -9.978 13.607 1.00 0.00 C ATOM 420 O LYS A 22 108.898 -10.547 14.586 1.00 0.00 O ATOM 421 CB LYS A 22 108.833 -7.777 14.354 1.00 0.00 C ATOM 422 CG LYS A 22 108.866 -6.294 14.099 1.00 0.00 C ATOM 423 CD LYS A 22 107.753 -5.723 13.261 1.00 0.00 C ATOM 424 CE LYS A 22 108.144 -5.451 11.847 1.00 0.00 C ATOM 425 NZ LYS A 22 108.714 -6.597 11.153 1.00 0.00 N ATOM 0 H LYS A 22 106.952 -8.132 12.906 1.00 0.00 H new ATOM 0 HA LYS A 22 109.628 -8.258 12.434 1.00 0.00 H new ATOM 0 HB2 LYS A 22 107.906 -8.011 14.877 1.00 0.00 H new ATOM 0 HB3 LYS A 22 109.651 -8.023 15.031 1.00 0.00 H new ATOM 0 HG2 LYS A 22 108.862 -5.784 15.062 1.00 0.00 H new ATOM 0 HG3 LYS A 22 109.813 -6.054 13.615 1.00 0.00 H new ATOM 0 HD2 LYS A 22 106.912 -6.416 13.269 1.00 0.00 H new ATOM 0 HD3 LYS A 22 107.406 -4.796 13.717 1.00 0.00 H new ATOM 0 HE2 LYS A 22 107.266 -5.109 11.299 1.00 0.00 H new ATOM 0 HE3 LYS A 22 108.867 -4.635 11.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 109.157 -6.281 10.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 109.430 -7.048 11.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 107.962 -7.282 10.938 1.00 0.00 H new ATOM 439 N SER A 23 110.448 -10.423 12.892 1.00 0.00 N ATOM 440 CA SER A 23 111.132 -11.656 13.120 1.00 0.00 C ATOM 441 C SER A 23 112.197 -11.428 14.227 1.00 0.00 C ATOM 442 O SER A 23 111.979 -10.586 15.118 1.00 0.00 O ATOM 443 CB SER A 23 111.759 -12.119 11.765 1.00 0.00 C ATOM 444 OG SER A 23 112.376 -13.405 11.854 1.00 0.00 O ATOM 0 H SER A 23 110.827 -9.900 12.102 1.00 0.00 H new ATOM 0 HA SER A 23 110.462 -12.443 13.466 1.00 0.00 H new ATOM 0 HB2 SER A 23 110.983 -12.145 11.000 1.00 0.00 H new ATOM 0 HB3 SER A 23 112.499 -11.387 11.443 1.00 0.00 H new ATOM 0 HG SER A 23 112.591 -13.727 10.954 1.00 0.00 H new ATOM 450 N SER A 24 113.307 -12.140 14.172 1.00 0.00 N ATOM 451 CA SER A 24 114.379 -12.068 15.167 1.00 0.00 C ATOM 452 C SER A 24 115.047 -10.659 15.286 1.00 0.00 C ATOM 453 O SER A 24 116.133 -10.432 14.764 1.00 0.00 O ATOM 454 CB SER A 24 115.425 -13.117 14.823 1.00 0.00 C ATOM 455 OG SER A 24 114.820 -14.399 14.691 1.00 0.00 O ATOM 0 H SER A 24 113.500 -12.802 13.420 1.00 0.00 H new ATOM 0 HA SER A 24 113.929 -12.258 16.141 1.00 0.00 H new ATOM 0 HB2 SER A 24 115.927 -12.848 13.894 1.00 0.00 H new ATOM 0 HB3 SER A 24 116.188 -13.147 15.601 1.00 0.00 H new ATOM 0 HG SER A 24 115.506 -15.063 14.468 1.00 0.00 H new ATOM 461 N ARG A 25 114.349 -9.728 15.948 1.00 0.00 N ATOM 462 CA ARG A 25 114.857 -8.400 16.261 1.00 0.00 C ATOM 463 C ARG A 25 115.046 -7.595 15.019 1.00 0.00 C ATOM 464 O ARG A 25 116.097 -6.990 14.774 1.00 0.00 O ATOM 465 CB ARG A 25 116.103 -8.440 17.173 1.00 0.00 C ATOM 466 CG ARG A 25 115.765 -8.521 18.661 1.00 0.00 C ATOM 467 CD ARG A 25 115.235 -7.189 19.144 1.00 0.00 C ATOM 468 NE ARG A 25 114.755 -7.208 20.526 1.00 0.00 N ATOM 469 CZ ARG A 25 114.118 -6.182 21.110 1.00 0.00 C ATOM 470 NH1 ARG A 25 113.887 -5.067 20.427 1.00 0.00 N ATOM 471 NH2 ARG A 25 113.696 -6.279 22.360 1.00 0.00 N ATOM 0 H ARG A 25 113.399 -9.886 16.284 1.00 0.00 H new ATOM 0 HA ARG A 25 114.101 -7.884 16.852 1.00 0.00 H new ATOM 0 HB2 ARG A 25 116.716 -9.299 16.900 1.00 0.00 H new ATOM 0 HB3 ARG A 25 116.704 -7.549 16.993 1.00 0.00 H new ATOM 0 HG2 ARG A 25 115.023 -9.301 18.832 1.00 0.00 H new ATOM 0 HG3 ARG A 25 116.653 -8.796 19.230 1.00 0.00 H new ATOM 0 HD2 ARG A 25 116.023 -6.441 19.054 1.00 0.00 H new ATOM 0 HD3 ARG A 25 114.421 -6.875 18.491 1.00 0.00 H new ATOM 0 HE ARG A 25 114.914 -8.051 21.078 1.00 0.00 H new ATOM 0 HH11 ARG A 25 114.194 -4.990 19.457 1.00 0.00 H new ATOM 0 HH12 ARG A 25 113.403 -4.287 20.872 1.00 0.00 H new ATOM 0 HH21 ARG A 25 113.854 -7.138 22.886 1.00 0.00 H new ATOM 0 HH22 ARG A 25 113.212 -5.495 22.797 1.00 0.00 H new ATOM 485 N GLY A 26 114.021 -7.627 14.219 1.00 0.00 N ATOM 486 CA GLY A 26 114.013 -6.896 13.025 1.00 0.00 C ATOM 487 C GLY A 26 113.170 -7.549 11.986 1.00 0.00 C ATOM 488 O GLY A 26 111.947 -7.827 12.183 1.00 0.00 O ATOM 0 H GLY A 26 113.174 -8.168 14.393 1.00 0.00 H new ATOM 0 HA2 GLY A 26 113.640 -5.890 13.217 1.00 0.00 H new ATOM 0 HA3 GLY A 26 115.033 -6.793 12.654 1.00 0.00 H new ATOM 492 N PHE A 27 113.784 -7.810 10.914 1.00 0.00 N ATOM 493 CA PHE A 27 113.167 -8.316 9.772 1.00 0.00 C ATOM 494 C PHE A 27 113.928 -9.531 9.242 1.00 0.00 C ATOM 495 O PHE A 27 113.623 -10.652 9.629 1.00 0.00 O ATOM 496 CB PHE A 27 113.134 -7.195 8.750 1.00 0.00 C ATOM 497 CG PHE A 27 112.198 -6.109 9.043 1.00 0.00 C ATOM 498 CD1 PHE A 27 110.867 -6.197 8.738 1.00 0.00 C ATOM 499 CD2 PHE A 27 112.665 -4.985 9.668 1.00 0.00 C ATOM 500 CE1 PHE A 27 110.026 -5.165 9.058 1.00 0.00 C ATOM 501 CE2 PHE A 27 111.838 -3.984 9.998 1.00 0.00 C ATOM 502 CZ PHE A 27 110.522 -4.061 9.700 1.00 0.00 C ATOM 0 H PHE A 27 114.788 -7.668 10.803 1.00 0.00 H new ATOM 0 HA PHE A 27 112.155 -8.654 9.993 1.00 0.00 H new ATOM 0 HB2 PHE A 27 114.136 -6.775 8.663 1.00 0.00 H new ATOM 0 HB3 PHE A 27 112.880 -7.619 7.778 1.00 0.00 H new ATOM 0 HD1 PHE A 27 110.481 -7.078 8.246 1.00 0.00 H new ATOM 0 HD2 PHE A 27 113.717 -4.903 9.899 1.00 0.00 H new ATOM 0 HE1 PHE A 27 108.977 -5.221 8.806 1.00 0.00 H new ATOM 0 HE2 PHE A 27 112.225 -3.112 10.504 1.00 0.00 H new ATOM 0 HZ PHE A 27 109.860 -3.251 9.968 1.00 0.00 H new ATOM 512 N GLY A 28 114.951 -9.320 8.471 1.00 0.00 N ATOM 513 CA GLY A 28 115.601 -10.424 7.778 1.00 0.00 C ATOM 514 C GLY A 28 115.780 -10.147 6.300 1.00 0.00 C ATOM 515 O GLY A 28 115.384 -10.942 5.432 1.00 0.00 O ATOM 0 H GLY A 28 115.363 -8.403 8.297 1.00 0.00 H new ATOM 0 HA2 GLY A 28 116.574 -10.612 8.231 1.00 0.00 H new ATOM 0 HA3 GLY A 28 115.009 -11.330 7.907 1.00 0.00 H new ATOM 519 N PHE A 29 116.314 -9.013 6.019 1.00 0.00 N ATOM 520 CA PHE A 29 116.704 -8.625 4.701 1.00 0.00 C ATOM 521 C PHE A 29 117.669 -7.493 4.824 1.00 0.00 C ATOM 522 O PHE A 29 117.560 -6.678 5.716 1.00 0.00 O ATOM 523 CB PHE A 29 115.512 -8.324 3.751 1.00 0.00 C ATOM 524 CG PHE A 29 114.472 -7.400 4.275 1.00 0.00 C ATOM 525 CD1 PHE A 29 113.402 -7.892 4.974 1.00 0.00 C ATOM 526 CD2 PHE A 29 114.550 -6.054 4.049 1.00 0.00 C ATOM 527 CE1 PHE A 29 112.431 -7.058 5.445 1.00 0.00 C ATOM 528 CE2 PHE A 29 113.573 -5.201 4.515 1.00 0.00 C ATOM 529 CZ PHE A 29 112.510 -5.706 5.216 1.00 0.00 C ATOM 0 H PHE A 29 116.501 -8.299 6.723 1.00 0.00 H new ATOM 0 HA PHE A 29 117.192 -9.469 4.213 1.00 0.00 H new ATOM 0 HB2 PHE A 29 115.908 -7.905 2.826 1.00 0.00 H new ATOM 0 HB3 PHE A 29 115.033 -9.268 3.493 1.00 0.00 H new ATOM 0 HD1 PHE A 29 113.326 -8.954 5.155 1.00 0.00 H new ATOM 0 HD2 PHE A 29 115.388 -5.654 3.498 1.00 0.00 H new ATOM 0 HE1 PHE A 29 111.597 -7.462 6.000 1.00 0.00 H new ATOM 0 HE2 PHE A 29 113.645 -4.140 4.328 1.00 0.00 H new ATOM 0 HZ PHE A 29 111.740 -5.046 5.586 1.00 0.00 H new ATOM 539 N THR A 30 118.627 -7.458 4.008 1.00 0.00 N ATOM 540 CA THR A 30 119.581 -6.431 4.092 1.00 0.00 C ATOM 541 C THR A 30 119.313 -5.443 2.990 1.00 0.00 C ATOM 542 O THR A 30 119.005 -5.836 1.858 1.00 0.00 O ATOM 543 CB THR A 30 120.989 -7.027 4.065 1.00 0.00 C ATOM 544 OG1 THR A 30 121.073 -7.994 3.014 1.00 0.00 O ATOM 545 CG2 THR A 30 121.281 -7.722 5.385 1.00 0.00 C ATOM 0 H THR A 30 118.781 -8.135 3.260 1.00 0.00 H new ATOM 0 HA THR A 30 119.507 -5.890 5.036 1.00 0.00 H new ATOM 0 HB THR A 30 121.711 -6.226 3.902 1.00 0.00 H new ATOM 0 HG1 THR A 30 122.008 -8.260 2.888 1.00 0.00 H new ATOM 0 HG21 THR A 30 122.285 -8.144 5.359 1.00 0.00 H new ATOM 0 HG22 THR A 30 121.211 -7.001 6.199 1.00 0.00 H new ATOM 0 HG23 THR A 30 120.556 -8.520 5.544 1.00 0.00 H new ATOM 553 N VAL A 31 119.372 -4.175 3.301 1.00 0.00 N ATOM 554 CA VAL A 31 118.939 -3.166 2.364 1.00 0.00 C ATOM 555 C VAL A 31 120.024 -2.129 2.047 1.00 0.00 C ATOM 556 O VAL A 31 120.950 -1.909 2.830 1.00 0.00 O ATOM 557 CB VAL A 31 117.659 -2.442 2.894 1.00 0.00 C ATOM 558 CG1 VAL A 31 116.540 -3.414 3.155 1.00 0.00 C ATOM 559 CG2 VAL A 31 117.940 -1.673 4.137 1.00 0.00 C ATOM 0 H VAL A 31 119.714 -3.815 4.192 1.00 0.00 H new ATOM 0 HA VAL A 31 118.715 -3.689 1.435 1.00 0.00 H new ATOM 0 HB VAL A 31 117.350 -1.749 2.111 1.00 0.00 H new ATOM 0 HG11 VAL A 31 115.667 -2.874 3.522 1.00 0.00 H new ATOM 0 HG12 VAL A 31 116.284 -3.931 2.230 1.00 0.00 H new ATOM 0 HG13 VAL A 31 116.857 -4.142 3.902 1.00 0.00 H new ATOM 0 HG21 VAL A 31 117.027 -1.183 4.476 1.00 0.00 H new ATOM 0 HG22 VAL A 31 118.297 -2.352 4.912 1.00 0.00 H new ATOM 0 HG23 VAL A 31 118.702 -0.920 3.935 1.00 0.00 H new ATOM 569 N VAL A 32 119.858 -1.493 0.909 1.00 0.00 N ATOM 570 CA VAL A 32 120.702 -0.441 0.416 1.00 0.00 C ATOM 571 C VAL A 32 119.957 0.843 0.326 1.00 0.00 C ATOM 572 O VAL A 32 118.778 0.899 0.638 1.00 0.00 O ATOM 573 CB VAL A 32 121.383 -0.726 -0.947 1.00 0.00 C ATOM 574 CG1 VAL A 32 122.559 -1.646 -0.778 1.00 0.00 C ATOM 575 CG2 VAL A 32 120.379 -1.283 -1.950 1.00 0.00 C ATOM 0 H VAL A 32 119.090 -1.711 0.274 1.00 0.00 H new ATOM 0 HA VAL A 32 121.503 -0.375 1.152 1.00 0.00 H new ATOM 0 HB VAL A 32 121.758 0.217 -1.344 1.00 0.00 H new ATOM 0 HG11 VAL A 32 123.019 -1.830 -1.749 1.00 0.00 H new ATOM 0 HG12 VAL A 32 123.289 -1.185 -0.112 1.00 0.00 H new ATOM 0 HG13 VAL A 32 122.223 -2.591 -0.350 1.00 0.00 H new ATOM 0 HG21 VAL A 32 120.881 -1.475 -2.899 1.00 0.00 H new ATOM 0 HG22 VAL A 32 119.960 -2.213 -1.567 1.00 0.00 H new ATOM 0 HG23 VAL A 32 119.578 -0.560 -2.103 1.00 0.00 H new ATOM 585 N GLY A 33 120.669 1.870 -0.005 1.00 0.00 N ATOM 586 CA GLY A 33 120.074 3.154 -0.198 1.00 0.00 C ATOM 587 C GLY A 33 119.975 3.863 1.098 1.00 0.00 C ATOM 588 O GLY A 33 120.976 3.934 1.808 1.00 0.00 O ATOM 0 H GLY A 33 121.678 1.844 -0.149 1.00 0.00 H new ATOM 0 HA2 GLY A 33 120.670 3.739 -0.898 1.00 0.00 H new ATOM 0 HA3 GLY A 33 119.083 3.043 -0.638 1.00 0.00 H new ATOM 592 N GLY A 34 118.770 4.381 1.365 1.00 0.00 N ATOM 593 CA GLY A 34 118.342 5.071 2.595 1.00 0.00 C ATOM 594 C GLY A 34 119.429 5.787 3.284 1.00 0.00 C ATOM 595 O GLY A 34 119.781 5.511 4.450 1.00 0.00 O ATOM 0 H GLY A 34 118.014 4.327 0.682 1.00 0.00 H new ATOM 0 HA2 GLY A 34 117.553 5.780 2.347 1.00 0.00 H new ATOM 0 HA3 GLY A 34 117.910 4.340 3.279 1.00 0.00 H new ATOM 599 N ASP A 35 119.974 6.663 2.598 1.00 0.00 N ATOM 600 CA ASP A 35 121.089 7.364 3.080 1.00 0.00 C ATOM 601 C ASP A 35 120.698 8.773 3.301 1.00 0.00 C ATOM 602 O ASP A 35 121.193 9.434 4.224 1.00 0.00 O ATOM 603 CB ASP A 35 122.214 7.217 2.064 1.00 0.00 C ATOM 604 CG ASP A 35 123.596 7.586 2.633 1.00 0.00 C ATOM 605 OD1 ASP A 35 124.149 6.822 3.459 1.00 0.00 O ATOM 606 OD2 ASP A 35 124.149 8.636 2.280 1.00 0.00 O ATOM 0 H ASP A 35 119.669 6.935 1.664 1.00 0.00 H new ATOM 0 HA ASP A 35 121.444 6.970 4.032 1.00 0.00 H new ATOM 0 HB2 ASP A 35 122.239 6.188 1.705 1.00 0.00 H new ATOM 0 HB3 ASP A 35 122.002 7.850 1.202 1.00 0.00 H new ATOM 611 N GLU A 36 119.729 9.216 2.525 1.00 0.00 N ATOM 612 CA GLU A 36 119.324 10.590 2.540 1.00 0.00 C ATOM 613 C GLU A 36 117.957 10.716 2.014 1.00 0.00 C ATOM 614 O GLU A 36 117.454 9.759 1.507 1.00 0.00 O ATOM 615 CB GLU A 36 120.382 11.451 1.823 1.00 0.00 C ATOM 616 CG GLU A 36 121.059 10.756 0.687 1.00 0.00 C ATOM 617 CD GLU A 36 122.173 11.590 0.130 1.00 0.00 C ATOM 618 OE1 GLU A 36 123.155 11.854 0.854 1.00 0.00 O ATOM 619 OE2 GLU A 36 122.099 12.013 -1.026 1.00 0.00 O ATOM 0 H GLU A 36 119.208 8.630 1.873 1.00 0.00 H new ATOM 0 HA GLU A 36 119.276 10.975 3.559 1.00 0.00 H new ATOM 0 HB2 GLU A 36 119.906 12.358 1.450 1.00 0.00 H new ATOM 0 HB3 GLU A 36 121.135 11.761 2.547 1.00 0.00 H new ATOM 0 HG2 GLU A 36 121.453 9.798 1.026 1.00 0.00 H new ATOM 0 HG3 GLU A 36 120.333 10.543 -0.098 1.00 0.00 H new ATOM 626 N PRO A 37 117.313 11.851 2.117 1.00 0.00 N ATOM 627 CA PRO A 37 115.933 12.019 1.647 1.00 0.00 C ATOM 628 C PRO A 37 115.873 11.782 0.157 1.00 0.00 C ATOM 629 O PRO A 37 114.877 11.306 -0.401 1.00 0.00 O ATOM 630 CB PRO A 37 115.664 13.480 2.008 1.00 0.00 C ATOM 631 CG PRO A 37 116.594 13.725 3.134 1.00 0.00 C ATOM 632 CD PRO A 37 117.828 13.090 2.655 1.00 0.00 C ATOM 0 HA PRO A 37 115.205 11.332 2.079 1.00 0.00 H new ATOM 0 HB2 PRO A 37 115.863 14.146 1.168 1.00 0.00 H new ATOM 0 HB3 PRO A 37 114.626 13.638 2.301 1.00 0.00 H new ATOM 0 HG2 PRO A 37 116.731 14.789 3.326 1.00 0.00 H new ATOM 0 HG3 PRO A 37 116.238 13.277 4.062 1.00 0.00 H new ATOM 0 HD2 PRO A 37 118.333 13.690 1.898 1.00 0.00 H new ATOM 0 HD3 PRO A 37 118.545 12.924 3.459 1.00 0.00 H new ATOM 640 N ASP A 38 116.996 12.033 -0.429 1.00 0.00 N ATOM 641 CA ASP A 38 117.241 11.898 -1.809 1.00 0.00 C ATOM 642 C ASP A 38 117.400 10.412 -2.221 1.00 0.00 C ATOM 643 O ASP A 38 117.039 10.016 -3.350 1.00 0.00 O ATOM 644 CB ASP A 38 118.477 12.718 -2.125 1.00 0.00 C ATOM 645 CG ASP A 38 118.898 12.675 -3.573 1.00 0.00 C ATOM 646 OD1 ASP A 38 118.398 13.496 -4.358 1.00 0.00 O ATOM 647 OD2 ASP A 38 119.749 11.858 -3.948 1.00 0.00 O ATOM 0 H ASP A 38 117.814 12.359 0.086 1.00 0.00 H new ATOM 0 HA ASP A 38 116.393 12.265 -2.386 1.00 0.00 H new ATOM 0 HB2 ASP A 38 118.293 13.755 -1.843 1.00 0.00 H new ATOM 0 HB3 ASP A 38 119.302 12.362 -1.508 1.00 0.00 H new ATOM 652 N GLU A 39 117.891 9.581 -1.315 1.00 0.00 N ATOM 653 CA GLU A 39 118.054 8.194 -1.607 1.00 0.00 C ATOM 654 C GLU A 39 117.273 7.336 -0.612 1.00 0.00 C ATOM 655 O GLU A 39 117.593 7.316 0.617 1.00 0.00 O ATOM 656 CB GLU A 39 119.523 7.820 -1.612 1.00 0.00 C ATOM 657 CG GLU A 39 119.789 6.405 -2.072 1.00 0.00 C ATOM 658 CD GLU A 39 119.252 6.134 -3.478 1.00 0.00 C ATOM 659 OE1 GLU A 39 118.037 5.914 -3.639 1.00 0.00 O ATOM 660 OE2 GLU A 39 120.012 6.186 -4.461 1.00 0.00 O ATOM 0 H GLU A 39 118.179 9.857 -0.376 1.00 0.00 H new ATOM 0 HA GLU A 39 117.653 8.002 -2.602 1.00 0.00 H new ATOM 0 HB2 GLU A 39 120.062 8.511 -2.260 1.00 0.00 H new ATOM 0 HB3 GLU A 39 119.924 7.947 -0.607 1.00 0.00 H new ATOM 0 HG2 GLU A 39 120.862 6.217 -2.054 1.00 0.00 H new ATOM 0 HG3 GLU A 39 119.331 5.707 -1.371 1.00 0.00 H new ATOM 667 N PHE A 40 116.333 6.581 -1.196 1.00 0.00 N ATOM 668 CA PHE A 40 115.333 5.698 -0.541 1.00 0.00 C ATOM 669 C PHE A 40 115.939 4.347 -0.298 1.00 0.00 C ATOM 670 O PHE A 40 117.020 4.054 -0.805 1.00 0.00 O ATOM 671 CB PHE A 40 114.097 5.497 -1.423 1.00 0.00 C ATOM 672 CG PHE A 40 113.473 6.736 -1.993 1.00 0.00 C ATOM 673 CD1 PHE A 40 113.049 7.766 -1.179 1.00 0.00 C ATOM 674 CD2 PHE A 40 113.302 6.854 -3.363 1.00 0.00 C ATOM 675 CE1 PHE A 40 112.464 8.890 -1.719 1.00 0.00 C ATOM 676 CE2 PHE A 40 112.716 7.970 -3.907 1.00 0.00 C ATOM 677 CZ PHE A 40 112.297 8.990 -3.086 1.00 0.00 C ATOM 0 H PHE A 40 116.236 6.563 -2.211 1.00 0.00 H new ATOM 0 HA PHE A 40 115.038 6.176 0.393 1.00 0.00 H new ATOM 0 HB2 PHE A 40 114.371 4.842 -2.250 1.00 0.00 H new ATOM 0 HB3 PHE A 40 113.342 4.973 -0.837 1.00 0.00 H new ATOM 0 HD1 PHE A 40 113.177 7.690 -0.109 1.00 0.00 H new ATOM 0 HD2 PHE A 40 113.634 6.057 -4.012 1.00 0.00 H new ATOM 0 HE1 PHE A 40 112.136 9.692 -1.074 1.00 0.00 H new ATOM 0 HE2 PHE A 40 112.585 8.046 -4.976 1.00 0.00 H new ATOM 0 HZ PHE A 40 111.837 9.870 -3.511 1.00 0.00 H new ATOM 687 N LEU A 41 115.292 3.532 0.524 1.00 0.00 N ATOM 688 CA LEU A 41 115.886 2.263 0.843 1.00 0.00 C ATOM 689 C LEU A 41 115.473 1.248 -0.157 1.00 0.00 C ATOM 690 O LEU A 41 114.409 1.324 -0.656 1.00 0.00 O ATOM 691 CB LEU A 41 115.540 1.746 2.213 1.00 0.00 C ATOM 692 CG LEU A 41 116.038 2.496 3.427 1.00 0.00 C ATOM 693 CD1 LEU A 41 115.282 3.800 3.682 1.00 0.00 C ATOM 694 CD2 LEU A 41 115.979 1.589 4.613 1.00 0.00 C ATOM 0 H LEU A 41 114.391 3.724 0.962 1.00 0.00 H new ATOM 0 HA LEU A 41 116.963 2.432 0.826 1.00 0.00 H new ATOM 0 HB2 LEU A 41 114.453 1.695 2.281 1.00 0.00 H new ATOM 0 HB3 LEU A 41 115.912 0.724 2.282 1.00 0.00 H new ATOM 0 HG LEU A 41 117.069 2.795 3.239 1.00 0.00 H new ATOM 0 HD11 LEU A 41 115.688 4.289 4.567 1.00 0.00 H new ATOM 0 HD12 LEU A 41 115.392 4.459 2.821 1.00 0.00 H new ATOM 0 HD13 LEU A 41 114.226 3.583 3.840 1.00 0.00 H new ATOM 0 HD21 LEU A 41 116.336 2.120 5.495 1.00 0.00 H new ATOM 0 HD22 LEU A 41 114.950 1.268 4.775 1.00 0.00 H new ATOM 0 HD23 LEU A 41 116.608 0.716 4.435 1.00 0.00 H new ATOM 706 N GLN A 42 116.321 0.341 -0.471 1.00 0.00 N ATOM 707 CA GLN A 42 115.999 -0.693 -1.393 1.00 0.00 C ATOM 708 C GLN A 42 116.511 -1.973 -0.798 1.00 0.00 C ATOM 709 O GLN A 42 117.355 -1.934 0.026 1.00 0.00 O ATOM 710 CB GLN A 42 116.716 -0.425 -2.675 1.00 0.00 C ATOM 711 CG GLN A 42 116.127 -1.139 -3.861 1.00 0.00 C ATOM 712 CD GLN A 42 116.981 -1.067 -5.102 1.00 0.00 C ATOM 713 OE1 GLN A 42 116.891 -0.129 -5.890 1.00 0.00 O ATOM 714 NE2 GLN A 42 117.789 -2.065 -5.308 1.00 0.00 N ATOM 0 H GLN A 42 117.268 0.291 -0.095 1.00 0.00 H new ATOM 0 HA GLN A 42 114.927 -0.748 -1.583 1.00 0.00 H new ATOM 0 HB2 GLN A 42 116.708 0.648 -2.868 1.00 0.00 H new ATOM 0 HB3 GLN A 42 117.759 -0.721 -2.566 1.00 0.00 H new ATOM 0 HG2 GLN A 42 115.968 -2.186 -3.601 1.00 0.00 H new ATOM 0 HG3 GLN A 42 115.148 -0.713 -4.080 1.00 0.00 H new ATOM 0 HE21 GLN A 42 117.839 -2.828 -4.633 1.00 0.00 H new ATOM 0 HE22 GLN A 42 118.372 -2.085 -6.144 1.00 0.00 H new ATOM 723 N ILE A 43 116.008 -3.078 -1.206 1.00 0.00 N ATOM 724 CA ILE A 43 116.464 -4.361 -0.646 1.00 0.00 C ATOM 725 C ILE A 43 117.676 -4.847 -1.463 1.00 0.00 C ATOM 726 O ILE A 43 117.587 -4.930 -2.694 1.00 0.00 O ATOM 727 CB ILE A 43 115.372 -5.479 -0.743 1.00 0.00 C ATOM 728 CG1 ILE A 43 113.973 -4.986 -0.320 1.00 0.00 C ATOM 729 CG2 ILE A 43 115.776 -6.720 0.063 1.00 0.00 C ATOM 730 CD1 ILE A 43 113.875 -4.425 1.065 1.00 0.00 C ATOM 0 H ILE A 43 115.283 -3.154 -1.920 1.00 0.00 H new ATOM 0 HA ILE A 43 116.702 -4.190 0.404 1.00 0.00 H new ATOM 0 HB ILE A 43 115.306 -5.753 -1.796 1.00 0.00 H new ATOM 0 HG12 ILE A 43 113.648 -4.222 -1.026 1.00 0.00 H new ATOM 0 HG13 ILE A 43 113.273 -5.817 -0.406 1.00 0.00 H new ATOM 0 HG21 ILE A 43 114.998 -7.479 -0.023 1.00 0.00 H new ATOM 0 HG22 ILE A 43 116.714 -7.116 -0.325 1.00 0.00 H new ATOM 0 HG23 ILE A 43 115.903 -6.448 1.111 1.00 0.00 H new ATOM 0 HD11 ILE A 43 112.850 -4.109 1.258 1.00 0.00 H new ATOM 0 HD12 ILE A 43 114.162 -5.189 1.788 1.00 0.00 H new ATOM 0 HD13 ILE A 43 114.542 -3.568 1.159 1.00 0.00 H new ATOM 742 N LYS A 44 118.789 -5.176 -0.794 1.00 0.00 N ATOM 743 CA LYS A 44 119.987 -5.660 -1.495 1.00 0.00 C ATOM 744 C LYS A 44 120.167 -7.146 -1.372 1.00 0.00 C ATOM 745 O LYS A 44 120.869 -7.739 -2.182 1.00 0.00 O ATOM 746 CB LYS A 44 121.295 -4.881 -1.151 1.00 0.00 C ATOM 747 CG LYS A 44 121.756 -4.869 0.334 1.00 0.00 C ATOM 748 CD LYS A 44 122.313 -6.189 0.843 1.00 0.00 C ATOM 749 CE LYS A 44 123.638 -6.566 0.200 1.00 0.00 C ATOM 750 NZ LYS A 44 124.154 -7.834 0.755 1.00 0.00 N ATOM 0 H LYS A 44 118.886 -5.117 0.220 1.00 0.00 H new ATOM 0 HA LYS A 44 119.794 -5.443 -2.546 1.00 0.00 H new ATOM 0 HB2 LYS A 44 122.103 -5.300 -1.750 1.00 0.00 H new ATOM 0 HB3 LYS A 44 121.164 -3.847 -1.471 1.00 0.00 H new ATOM 0 HG2 LYS A 44 122.518 -4.099 0.456 1.00 0.00 H new ATOM 0 HG3 LYS A 44 120.910 -4.583 0.959 1.00 0.00 H new ATOM 0 HD2 LYS A 44 122.445 -6.128 1.923 1.00 0.00 H new ATOM 0 HD3 LYS A 44 121.587 -6.980 0.654 1.00 0.00 H new ATOM 0 HE2 LYS A 44 123.509 -6.663 -0.878 1.00 0.00 H new ATOM 0 HE3 LYS A 44 124.365 -5.771 0.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 125.112 -8.009 0.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 124.186 -7.771 1.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 123.528 -8.616 0.475 1.00 0.00 H new ATOM 764 N SER A 45 119.587 -7.740 -0.353 1.00 0.00 N ATOM 765 CA SER A 45 119.568 -9.181 -0.216 1.00 0.00 C ATOM 766 C SER A 45 118.382 -9.594 0.630 1.00 0.00 C ATOM 767 O SER A 45 118.170 -9.065 1.722 1.00 0.00 O ATOM 768 CB SER A 45 120.873 -9.719 0.403 1.00 0.00 C ATOM 769 OG SER A 45 122.015 -9.377 -0.394 1.00 0.00 O ATOM 0 H SER A 45 119.117 -7.241 0.402 1.00 0.00 H new ATOM 0 HA SER A 45 119.480 -9.612 -1.213 1.00 0.00 H new ATOM 0 HB2 SER A 45 120.995 -9.313 1.407 1.00 0.00 H new ATOM 0 HB3 SER A 45 120.809 -10.803 0.503 1.00 0.00 H new ATOM 0 HG SER A 45 121.717 -9.031 -1.261 1.00 0.00 H new ATOM 775 N LEU A 46 117.606 -10.487 0.101 1.00 0.00 N ATOM 776 CA LEU A 46 116.483 -11.048 0.753 1.00 0.00 C ATOM 777 C LEU A 46 117.008 -12.194 1.641 1.00 0.00 C ATOM 778 O LEU A 46 117.408 -13.249 1.136 1.00 0.00 O ATOM 779 CB LEU A 46 115.568 -11.519 -0.387 1.00 0.00 C ATOM 780 CG LEU A 46 114.145 -11.962 -0.109 1.00 0.00 C ATOM 781 CD1 LEU A 46 114.089 -13.320 0.524 1.00 0.00 C ATOM 782 CD2 LEU A 46 113.409 -10.935 0.718 1.00 0.00 C ATOM 0 H LEU A 46 117.751 -10.856 -0.839 1.00 0.00 H new ATOM 0 HA LEU A 46 115.926 -10.372 1.402 1.00 0.00 H new ATOM 0 HB2 LEU A 46 115.514 -10.706 -1.111 1.00 0.00 H new ATOM 0 HB3 LEU A 46 116.072 -12.351 -0.879 1.00 0.00 H new ATOM 0 HG LEU A 46 113.639 -12.043 -1.071 1.00 0.00 H new ATOM 0 HD11 LEU A 46 113.050 -13.595 0.704 1.00 0.00 H new ATOM 0 HD12 LEU A 46 114.547 -14.051 -0.142 1.00 0.00 H new ATOM 0 HD13 LEU A 46 114.629 -13.303 1.471 1.00 0.00 H new ATOM 0 HD21 LEU A 46 112.391 -11.278 0.903 1.00 0.00 H new ATOM 0 HD22 LEU A 46 113.923 -10.797 1.669 1.00 0.00 H new ATOM 0 HD23 LEU A 46 113.380 -9.987 0.180 1.00 0.00 H new ATOM 794 N VAL A 47 117.032 -11.965 2.942 1.00 0.00 N ATOM 795 CA VAL A 47 117.634 -12.879 3.880 1.00 0.00 C ATOM 796 C VAL A 47 116.648 -13.969 4.290 1.00 0.00 C ATOM 797 O VAL A 47 115.457 -13.713 4.557 1.00 0.00 O ATOM 798 CB VAL A 47 118.143 -12.100 5.133 1.00 0.00 C ATOM 799 CG1 VAL A 47 118.687 -13.022 6.195 1.00 0.00 C ATOM 800 CG2 VAL A 47 119.202 -11.086 4.748 1.00 0.00 C ATOM 0 H VAL A 47 116.630 -11.133 3.374 1.00 0.00 H new ATOM 0 HA VAL A 47 118.483 -13.361 3.396 1.00 0.00 H new ATOM 0 HB VAL A 47 117.280 -11.580 5.548 1.00 0.00 H new ATOM 0 HG11 VAL A 47 119.029 -12.434 7.047 1.00 0.00 H new ATOM 0 HG12 VAL A 47 117.903 -13.707 6.518 1.00 0.00 H new ATOM 0 HG13 VAL A 47 119.523 -13.592 5.789 1.00 0.00 H new ATOM 0 HG21 VAL A 47 119.540 -10.557 5.639 1.00 0.00 H new ATOM 0 HG22 VAL A 47 120.047 -11.599 4.288 1.00 0.00 H new ATOM 0 HG23 VAL A 47 118.782 -10.372 4.040 1.00 0.00 H new ATOM 810 N LEU A 48 117.147 -15.178 4.315 1.00 0.00 N ATOM 811 CA LEU A 48 116.379 -16.332 4.696 1.00 0.00 C ATOM 812 C LEU A 48 116.014 -16.236 6.146 1.00 0.00 C ATOM 813 O LEU A 48 116.809 -15.738 6.944 1.00 0.00 O ATOM 814 CB LEU A 48 117.180 -17.592 4.416 1.00 0.00 C ATOM 815 CG LEU A 48 117.585 -17.779 2.958 1.00 0.00 C ATOM 816 CD1 LEU A 48 118.385 -19.051 2.776 1.00 0.00 C ATOM 817 CD2 LEU A 48 116.364 -17.782 2.057 1.00 0.00 C ATOM 0 H LEU A 48 118.113 -15.390 4.067 1.00 0.00 H new ATOM 0 HA LEU A 48 115.459 -16.374 4.113 1.00 0.00 H new ATOM 0 HB2 LEU A 48 118.080 -17.578 5.030 1.00 0.00 H new ATOM 0 HB3 LEU A 48 116.594 -18.456 4.730 1.00 0.00 H new ATOM 0 HG LEU A 48 118.218 -16.938 2.675 1.00 0.00 H new ATOM 0 HD11 LEU A 48 118.661 -19.160 1.727 1.00 0.00 H new ATOM 0 HD12 LEU A 48 119.287 -19.004 3.386 1.00 0.00 H new ATOM 0 HD13 LEU A 48 117.783 -19.906 3.084 1.00 0.00 H new ATOM 0 HD21 LEU A 48 116.676 -17.917 1.021 1.00 0.00 H new ATOM 0 HD22 LEU A 48 115.701 -18.598 2.345 1.00 0.00 H new ATOM 0 HD23 LEU A 48 115.836 -16.833 2.156 1.00 0.00 H new ATOM 829 N ASP A 49 114.786 -16.668 6.470 1.00 0.00 N ATOM 830 CA ASP A 49 114.222 -16.613 7.842 1.00 0.00 C ATOM 831 C ASP A 49 113.724 -15.191 8.176 1.00 0.00 C ATOM 832 O ASP A 49 113.267 -14.884 9.289 1.00 0.00 O ATOM 833 CB ASP A 49 115.213 -17.186 8.882 1.00 0.00 C ATOM 834 CG ASP A 49 114.684 -17.258 10.301 1.00 0.00 C ATOM 835 OD1 ASP A 49 113.758 -18.055 10.580 1.00 0.00 O ATOM 836 OD2 ASP A 49 115.215 -16.546 11.182 1.00 0.00 O ATOM 0 H ASP A 49 114.145 -17.070 5.786 1.00 0.00 H new ATOM 0 HA ASP A 49 113.345 -17.259 7.886 1.00 0.00 H new ATOM 0 HB2 ASP A 49 115.506 -18.188 8.568 1.00 0.00 H new ATOM 0 HB3 ASP A 49 116.115 -16.574 8.877 1.00 0.00 H new ATOM 841 N GLY A 50 113.797 -14.331 7.179 1.00 0.00 N ATOM 842 CA GLY A 50 113.243 -13.015 7.278 1.00 0.00 C ATOM 843 C GLY A 50 111.788 -13.052 6.959 1.00 0.00 C ATOM 844 O GLY A 50 111.393 -13.912 6.220 1.00 0.00 O ATOM 0 H GLY A 50 114.243 -14.534 6.284 1.00 0.00 H new ATOM 0 HA2 GLY A 50 113.394 -12.622 8.284 1.00 0.00 H new ATOM 0 HA3 GLY A 50 113.758 -12.342 6.592 1.00 0.00 H new ATOM 848 N PRO A 51 110.957 -12.073 7.359 1.00 0.00 N ATOM 849 CA PRO A 51 109.538 -12.198 7.170 1.00 0.00 C ATOM 850 C PRO A 51 109.200 -12.034 5.690 1.00 0.00 C ATOM 851 O PRO A 51 108.214 -12.527 5.209 1.00 0.00 O ATOM 852 CB PRO A 51 108.936 -11.140 8.098 1.00 0.00 C ATOM 853 CG PRO A 51 110.041 -10.176 8.420 1.00 0.00 C ATOM 854 CD PRO A 51 111.305 -10.708 7.792 1.00 0.00 C ATOM 0 HA PRO A 51 109.127 -13.175 7.425 1.00 0.00 H new ATOM 0 HB2 PRO A 51 108.104 -10.628 7.615 1.00 0.00 H new ATOM 0 HB3 PRO A 51 108.544 -11.598 9.006 1.00 0.00 H new ATOM 0 HG2 PRO A 51 109.809 -9.184 8.033 1.00 0.00 H new ATOM 0 HG3 PRO A 51 110.161 -10.077 9.499 1.00 0.00 H new ATOM 0 HD2 PRO A 51 111.619 -10.092 6.949 1.00 0.00 H new ATOM 0 HD3 PRO A 51 112.129 -10.716 8.505 1.00 0.00 H new ATOM 862 N ALA A 52 110.087 -11.339 4.995 1.00 0.00 N ATOM 863 CA ALA A 52 110.027 -11.150 3.570 1.00 0.00 C ATOM 864 C ALA A 52 110.301 -12.487 2.866 1.00 0.00 C ATOM 865 O ALA A 52 109.714 -12.806 1.858 1.00 0.00 O ATOM 866 CB ALA A 52 111.081 -10.141 3.181 1.00 0.00 C ATOM 0 H ALA A 52 110.889 -10.881 5.428 1.00 0.00 H new ATOM 0 HA ALA A 52 109.041 -10.791 3.275 1.00 0.00 H new ATOM 0 HB1 ALA A 52 111.053 -9.983 2.103 1.00 0.00 H new ATOM 0 HB2 ALA A 52 110.888 -9.198 3.692 1.00 0.00 H new ATOM 0 HB3 ALA A 52 112.065 -10.513 3.467 1.00 0.00 H new ATOM 872 N ALA A 53 111.192 -13.262 3.433 1.00 0.00 N ATOM 873 CA ALA A 53 111.529 -14.568 2.900 1.00 0.00 C ATOM 874 C ALA A 53 110.365 -15.493 3.084 1.00 0.00 C ATOM 875 O ALA A 53 109.907 -16.167 2.169 1.00 0.00 O ATOM 876 CB ALA A 53 112.729 -15.124 3.650 1.00 0.00 C ATOM 0 H ALA A 53 111.706 -13.010 4.277 1.00 0.00 H new ATOM 0 HA ALA A 53 111.766 -14.479 1.840 1.00 0.00 H new ATOM 0 HB1 ALA A 53 112.984 -16.106 3.251 1.00 0.00 H new ATOM 0 HB2 ALA A 53 113.578 -14.451 3.528 1.00 0.00 H new ATOM 0 HB3 ALA A 53 112.486 -15.214 4.709 1.00 0.00 H new ATOM 882 N LEU A 54 109.894 -15.454 4.269 1.00 0.00 N ATOM 883 CA LEU A 54 108.897 -16.304 4.776 1.00 0.00 C ATOM 884 C LEU A 54 107.509 -16.059 4.254 1.00 0.00 C ATOM 885 O LEU A 54 106.768 -16.994 3.943 1.00 0.00 O ATOM 886 CB LEU A 54 108.975 -16.166 6.196 1.00 0.00 C ATOM 887 CG LEU A 54 110.369 -16.503 6.694 1.00 0.00 C ATOM 888 CD1 LEU A 54 110.338 -16.351 8.068 1.00 0.00 C ATOM 889 CD2 LEU A 54 110.810 -17.919 6.317 1.00 0.00 C ATOM 0 H LEU A 54 110.220 -14.777 4.959 1.00 0.00 H new ATOM 0 HA LEU A 54 109.085 -17.324 4.439 1.00 0.00 H new ATOM 0 HB2 LEU A 54 108.719 -15.146 6.481 1.00 0.00 H new ATOM 0 HB3 LEU A 54 108.246 -16.823 6.670 1.00 0.00 H new ATOM 0 HG LEU A 54 111.097 -15.841 6.226 1.00 0.00 H new ATOM 0 HD11 LEU A 54 111.320 -16.582 8.482 1.00 0.00 H new ATOM 0 HD12 LEU A 54 110.073 -15.323 8.314 1.00 0.00 H new ATOM 0 HD13 LEU A 54 109.597 -17.028 8.492 1.00 0.00 H new ATOM 0 HD21 LEU A 54 111.814 -18.102 6.700 1.00 0.00 H new ATOM 0 HD22 LEU A 54 110.119 -18.643 6.750 1.00 0.00 H new ATOM 0 HD23 LEU A 54 110.811 -18.023 5.232 1.00 0.00 H new ATOM 901 N ASP A 55 107.128 -14.810 4.175 1.00 0.00 N ATOM 902 CA ASP A 55 105.821 -14.477 3.640 1.00 0.00 C ATOM 903 C ASP A 55 105.941 -14.450 2.146 1.00 0.00 C ATOM 904 O ASP A 55 104.971 -14.617 1.416 1.00 0.00 O ATOM 905 CB ASP A 55 105.329 -13.113 4.132 1.00 0.00 C ATOM 906 CG ASP A 55 103.808 -12.996 4.120 1.00 0.00 C ATOM 907 OD1 ASP A 55 103.168 -13.146 3.059 1.00 0.00 O ATOM 908 OD2 ASP A 55 103.224 -12.764 5.197 1.00 0.00 O ATOM 0 H ASP A 55 107.691 -14.012 4.468 1.00 0.00 H new ATOM 0 HA ASP A 55 105.099 -15.221 3.976 1.00 0.00 H new ATOM 0 HB2 ASP A 55 105.694 -12.943 5.145 1.00 0.00 H new ATOM 0 HB3 ASP A 55 105.754 -12.330 3.504 1.00 0.00 H new ATOM 913 N GLY A 56 107.159 -14.292 1.694 1.00 0.00 N ATOM 914 CA GLY A 56 107.391 -14.215 0.294 1.00 0.00 C ATOM 915 C GLY A 56 107.194 -12.814 -0.204 1.00 0.00 C ATOM 916 O GLY A 56 107.519 -11.860 0.501 1.00 0.00 O ATOM 0 H GLY A 56 107.992 -14.216 2.278 1.00 0.00 H new ATOM 0 HA2 GLY A 56 108.405 -14.546 0.071 1.00 0.00 H new ATOM 0 HA3 GLY A 56 106.713 -14.890 -0.229 1.00 0.00 H new ATOM 920 N LYS A 57 106.601 -12.703 -1.380 1.00 0.00 N ATOM 921 CA LYS A 57 106.350 -11.448 -2.124 1.00 0.00 C ATOM 922 C LYS A 57 107.578 -10.563 -2.353 1.00 0.00 C ATOM 923 O LYS A 57 107.985 -10.387 -3.487 1.00 0.00 O ATOM 924 CB LYS A 57 105.102 -10.612 -1.690 1.00 0.00 C ATOM 925 CG LYS A 57 105.125 -9.953 -0.310 1.00 0.00 C ATOM 926 CD LYS A 57 104.604 -10.851 0.807 1.00 0.00 C ATOM 927 CE LYS A 57 103.108 -11.111 0.683 1.00 0.00 C ATOM 928 NZ LYS A 57 102.319 -9.857 0.705 1.00 0.00 N ATOM 0 H LYS A 57 106.257 -13.522 -1.882 1.00 0.00 H new ATOM 0 HA LYS A 57 106.082 -11.857 -3.098 1.00 0.00 H new ATOM 0 HB2 LYS A 57 104.950 -9.828 -2.432 1.00 0.00 H new ATOM 0 HB3 LYS A 57 104.231 -11.265 -1.734 1.00 0.00 H new ATOM 0 HG2 LYS A 57 106.147 -9.654 -0.077 1.00 0.00 H new ATOM 0 HG3 LYS A 57 104.526 -9.043 -0.342 1.00 0.00 H new ATOM 0 HD2 LYS A 57 105.139 -11.800 0.788 1.00 0.00 H new ATOM 0 HD3 LYS A 57 104.812 -10.387 1.771 1.00 0.00 H new ATOM 0 HE2 LYS A 57 102.910 -11.647 -0.245 1.00 0.00 H new ATOM 0 HE3 LYS A 57 102.784 -11.757 1.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 101.355 -10.059 1.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 102.771 -9.173 1.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 102.276 -9.457 -0.254 1.00 0.00 H new ATOM 942 N MET A 58 108.168 -10.054 -1.286 1.00 0.00 N ATOM 943 CA MET A 58 109.301 -9.131 -1.351 1.00 0.00 C ATOM 944 C MET A 58 110.519 -9.870 -1.862 1.00 0.00 C ATOM 945 O MET A 58 110.736 -11.039 -1.502 1.00 0.00 O ATOM 946 CB MET A 58 109.576 -8.545 0.029 1.00 0.00 C ATOM 947 CG MET A 58 110.732 -7.568 0.073 1.00 0.00 C ATOM 948 SD MET A 58 111.188 -7.101 1.746 1.00 0.00 S ATOM 949 CE MET A 58 109.628 -6.496 2.315 1.00 0.00 C ATOM 0 H MET A 58 107.874 -10.270 -0.334 1.00 0.00 H new ATOM 0 HA MET A 58 109.067 -8.313 -2.032 1.00 0.00 H new ATOM 0 HB2 MET A 58 108.676 -8.041 0.383 1.00 0.00 H new ATOM 0 HB3 MET A 58 109.778 -9.361 0.723 1.00 0.00 H new ATOM 0 HG2 MET A 58 111.595 -8.012 -0.423 1.00 0.00 H new ATOM 0 HG3 MET A 58 110.466 -6.673 -0.489 1.00 0.00 H new ATOM 0 HE1 MET A 58 109.759 -5.999 3.276 1.00 0.00 H new ATOM 0 HE2 MET A 58 109.227 -5.786 1.591 1.00 0.00 H new ATOM 0 HE3 MET A 58 108.934 -7.329 2.429 1.00 0.00 H new ATOM 959 N GLU A 59 111.306 -9.218 -2.682 1.00 0.00 N ATOM 960 CA GLU A 59 112.422 -9.864 -3.347 1.00 0.00 C ATOM 961 C GLU A 59 113.452 -8.821 -3.581 1.00 0.00 C ATOM 962 O GLU A 59 113.106 -7.696 -3.904 1.00 0.00 O ATOM 963 CB GLU A 59 111.990 -10.414 -4.723 1.00 0.00 C ATOM 964 CG GLU A 59 110.888 -11.455 -4.694 1.00 0.00 C ATOM 965 CD GLU A 59 110.484 -11.904 -6.066 1.00 0.00 C ATOM 966 OE1 GLU A 59 109.608 -11.274 -6.687 1.00 0.00 O ATOM 967 OE2 GLU A 59 111.050 -12.901 -6.562 1.00 0.00 O ATOM 0 H GLU A 59 111.196 -8.230 -2.910 1.00 0.00 H new ATOM 0 HA GLU A 59 112.791 -10.686 -2.734 1.00 0.00 H new ATOM 0 HB2 GLU A 59 111.661 -9.579 -5.341 1.00 0.00 H new ATOM 0 HB3 GLU A 59 112.863 -10.848 -5.212 1.00 0.00 H new ATOM 0 HG2 GLU A 59 111.223 -12.317 -4.117 1.00 0.00 H new ATOM 0 HG3 GLU A 59 110.019 -11.045 -4.179 1.00 0.00 H new ATOM 974 N THR A 60 114.704 -9.218 -3.475 1.00 0.00 N ATOM 975 CA THR A 60 115.843 -8.356 -3.628 1.00 0.00 C ATOM 976 C THR A 60 115.683 -7.452 -4.857 1.00 0.00 C ATOM 977 O THR A 60 115.620 -7.933 -6.001 1.00 0.00 O ATOM 978 CB THR A 60 117.060 -9.232 -3.823 1.00 0.00 C ATOM 979 OG1 THR A 60 117.069 -10.275 -2.837 1.00 0.00 O ATOM 980 CG2 THR A 60 118.292 -8.433 -3.689 1.00 0.00 C ATOM 0 H THR A 60 114.958 -10.185 -3.273 1.00 0.00 H new ATOM 0 HA THR A 60 115.942 -7.724 -2.746 1.00 0.00 H new ATOM 0 HB THR A 60 117.019 -9.667 -4.822 1.00 0.00 H new ATOM 0 HG1 THR A 60 117.858 -10.842 -2.967 1.00 0.00 H new ATOM 0 HG21 THR A 60 119.160 -9.076 -3.832 1.00 0.00 H new ATOM 0 HG22 THR A 60 118.298 -7.644 -4.441 1.00 0.00 H new ATOM 0 HG23 THR A 60 118.330 -7.987 -2.695 1.00 0.00 H new ATOM 988 N GLY A 61 115.583 -6.169 -4.605 1.00 0.00 N ATOM 989 CA GLY A 61 115.359 -5.217 -5.647 1.00 0.00 C ATOM 990 C GLY A 61 114.264 -4.213 -5.309 1.00 0.00 C ATOM 991 O GLY A 61 114.318 -3.079 -5.763 1.00 0.00 O ATOM 0 H GLY A 61 115.655 -5.764 -3.672 1.00 0.00 H new ATOM 0 HA2 GLY A 61 116.287 -4.681 -5.848 1.00 0.00 H new ATOM 0 HA3 GLY A 61 115.091 -5.744 -6.562 1.00 0.00 H new ATOM 995 N ASP A 62 113.267 -4.611 -4.512 1.00 0.00 N ATOM 996 CA ASP A 62 112.200 -3.666 -4.161 1.00 0.00 C ATOM 997 C ASP A 62 112.643 -2.546 -3.253 1.00 0.00 C ATOM 998 O ASP A 62 113.506 -2.709 -2.396 1.00 0.00 O ATOM 999 CB ASP A 62 110.811 -4.274 -3.768 1.00 0.00 C ATOM 1000 CG ASP A 62 110.793 -5.601 -3.010 1.00 0.00 C ATOM 1001 OD1 ASP A 62 111.744 -5.954 -2.367 1.00 0.00 O ATOM 1002 OD2 ASP A 62 109.755 -6.318 -3.107 1.00 0.00 O ATOM 0 H ASP A 62 113.175 -5.544 -4.110 1.00 0.00 H new ATOM 0 HA ASP A 62 111.989 -3.210 -5.128 1.00 0.00 H new ATOM 0 HB2 ASP A 62 110.284 -3.537 -3.162 1.00 0.00 H new ATOM 0 HB3 ASP A 62 110.234 -4.405 -4.683 1.00 0.00 H new ATOM 1007 N VAL A 63 112.082 -1.388 -3.499 1.00 0.00 N ATOM 1008 CA VAL A 63 112.453 -0.176 -2.817 1.00 0.00 C ATOM 1009 C VAL A 63 111.456 0.237 -1.751 1.00 0.00 C ATOM 1010 O VAL A 63 110.283 0.501 -2.035 1.00 0.00 O ATOM 1011 CB VAL A 63 112.858 0.992 -3.810 1.00 0.00 C ATOM 1012 CG1 VAL A 63 112.042 0.949 -5.080 1.00 0.00 C ATOM 1013 CG2 VAL A 63 112.737 2.378 -3.163 1.00 0.00 C ATOM 0 H VAL A 63 111.343 -1.261 -4.190 1.00 0.00 H new ATOM 0 HA VAL A 63 113.366 -0.407 -2.267 1.00 0.00 H new ATOM 0 HB VAL A 63 113.906 0.826 -4.058 1.00 0.00 H new ATOM 0 HG11 VAL A 63 112.347 1.764 -5.736 1.00 0.00 H new ATOM 0 HG12 VAL A 63 112.204 -0.003 -5.585 1.00 0.00 H new ATOM 0 HG13 VAL A 63 110.985 1.055 -4.837 1.00 0.00 H new ATOM 0 HG21 VAL A 63 113.026 3.143 -3.884 1.00 0.00 H new ATOM 0 HG22 VAL A 63 111.706 2.545 -2.850 1.00 0.00 H new ATOM 0 HG23 VAL A 63 113.393 2.433 -2.294 1.00 0.00 H new ATOM 1023 N ILE A 64 111.952 0.273 -0.526 1.00 0.00 N ATOM 1024 CA ILE A 64 111.201 0.633 0.626 1.00 0.00 C ATOM 1025 C ILE A 64 110.957 2.127 0.691 1.00 0.00 C ATOM 1026 O ILE A 64 111.941 2.987 0.705 1.00 0.00 O ATOM 1027 CB ILE A 64 111.806 0.123 1.965 1.00 0.00 C ATOM 1028 CG1 ILE A 64 111.753 -1.406 2.020 1.00 0.00 C ATOM 1029 CG2 ILE A 64 111.084 0.734 3.184 1.00 0.00 C ATOM 1030 CD1 ILE A 64 112.182 -1.975 3.350 1.00 0.00 C ATOM 0 H ILE A 64 112.923 0.042 -0.318 1.00 0.00 H new ATOM 0 HA ILE A 64 110.246 0.122 0.508 1.00 0.00 H new ATOM 0 HB ILE A 64 112.847 0.444 2.006 1.00 0.00 H new ATOM 0 HG12 ILE A 64 110.736 -1.735 1.804 1.00 0.00 H new ATOM 0 HG13 ILE A 64 112.393 -1.812 1.236 1.00 0.00 H new ATOM 0 HG21 ILE A 64 111.534 0.354 4.101 1.00 0.00 H new ATOM 0 HG22 ILE A 64 111.178 1.820 3.156 1.00 0.00 H new ATOM 0 HG23 ILE A 64 110.029 0.460 3.157 1.00 0.00 H new ATOM 0 HD11 ILE A 64 112.120 -3.063 3.318 1.00 0.00 H new ATOM 0 HD12 ILE A 64 113.209 -1.676 3.559 1.00 0.00 H new ATOM 0 HD13 ILE A 64 111.527 -1.597 4.135 1.00 0.00 H new ATOM 1042 N VAL A 65 109.660 2.406 0.757 1.00 0.00 N ATOM 1043 CA VAL A 65 109.072 3.704 0.781 1.00 0.00 C ATOM 1044 C VAL A 65 108.700 4.092 2.230 1.00 0.00 C ATOM 1045 O VAL A 65 108.988 5.190 2.662 1.00 0.00 O ATOM 1046 CB VAL A 65 107.785 3.693 -0.123 1.00 0.00 C ATOM 1047 CG1 VAL A 65 107.088 5.040 -0.182 1.00 0.00 C ATOM 1048 CG2 VAL A 65 108.121 3.224 -1.529 1.00 0.00 C ATOM 0 H VAL A 65 108.958 1.667 0.797 1.00 0.00 H new ATOM 0 HA VAL A 65 109.783 4.437 0.400 1.00 0.00 H new ATOM 0 HB VAL A 65 107.091 2.993 0.342 1.00 0.00 H new ATOM 0 HG11 VAL A 65 106.208 4.967 -0.821 1.00 0.00 H new ATOM 0 HG12 VAL A 65 106.784 5.337 0.822 1.00 0.00 H new ATOM 0 HG13 VAL A 65 107.771 5.786 -0.589 1.00 0.00 H new ATOM 0 HG21 VAL A 65 107.217 3.224 -2.138 1.00 0.00 H new ATOM 0 HG22 VAL A 65 108.856 3.897 -1.971 1.00 0.00 H new ATOM 0 HG23 VAL A 65 108.531 2.215 -1.488 1.00 0.00 H new ATOM 1058 N SER A 66 108.079 3.183 2.994 1.00 0.00 N ATOM 1059 CA SER A 66 107.632 3.507 4.371 1.00 0.00 C ATOM 1060 C SER A 66 107.402 2.245 5.213 1.00 0.00 C ATOM 1061 O SER A 66 107.409 1.125 4.678 1.00 0.00 O ATOM 1062 CB SER A 66 106.353 4.368 4.354 1.00 0.00 C ATOM 1063 OG SER A 66 106.578 5.621 3.719 1.00 0.00 O ATOM 0 H SER A 66 107.873 2.230 2.695 1.00 0.00 H new ATOM 0 HA SER A 66 108.436 4.079 4.834 1.00 0.00 H new ATOM 0 HB2 SER A 66 105.559 3.832 3.834 1.00 0.00 H new ATOM 0 HB3 SER A 66 106.010 4.533 5.375 1.00 0.00 H new ATOM 0 HG SER A 66 107.539 5.746 3.573 1.00 0.00 H new ATOM 1069 N VAL A 67 107.185 2.433 6.521 1.00 0.00 N ATOM 1070 CA VAL A 67 106.985 1.327 7.435 1.00 0.00 C ATOM 1071 C VAL A 67 106.030 1.694 8.591 1.00 0.00 C ATOM 1072 O VAL A 67 106.340 2.548 9.432 1.00 0.00 O ATOM 1073 CB VAL A 67 108.343 0.772 8.001 1.00 0.00 C ATOM 1074 CG1 VAL A 67 109.149 1.847 8.681 1.00 0.00 C ATOM 1075 CG2 VAL A 67 108.116 -0.371 8.965 1.00 0.00 C ATOM 0 H VAL A 67 107.145 3.352 6.962 1.00 0.00 H new ATOM 0 HA VAL A 67 106.517 0.535 6.851 1.00 0.00 H new ATOM 0 HB VAL A 67 108.906 0.406 7.143 1.00 0.00 H new ATOM 0 HG11 VAL A 67 110.079 1.421 9.057 1.00 0.00 H new ATOM 0 HG12 VAL A 67 109.375 2.639 7.967 1.00 0.00 H new ATOM 0 HG13 VAL A 67 108.577 2.260 9.512 1.00 0.00 H new ATOM 0 HG21 VAL A 67 109.076 -0.730 9.336 1.00 0.00 H new ATOM 0 HG22 VAL A 67 107.509 -0.026 9.802 1.00 0.00 H new ATOM 0 HG23 VAL A 67 107.599 -1.182 8.452 1.00 0.00 H new ATOM 1085 N ASN A 68 104.861 1.064 8.572 1.00 0.00 N ATOM 1086 CA ASN A 68 103.817 1.080 9.611 1.00 0.00 C ATOM 1087 C ASN A 68 103.139 2.426 9.842 1.00 0.00 C ATOM 1088 O ASN A 68 101.909 2.515 9.888 1.00 0.00 O ATOM 1089 CB ASN A 68 104.366 0.522 10.910 1.00 0.00 C ATOM 1090 CG ASN A 68 103.317 -0.168 11.730 1.00 0.00 C ATOM 1091 OD1 ASN A 68 102.334 -0.678 11.197 1.00 0.00 O ATOM 1092 ND2 ASN A 68 103.550 -0.266 12.989 1.00 0.00 N ATOM 0 H ASN A 68 104.591 0.485 7.777 1.00 0.00 H new ATOM 0 HA ASN A 68 103.022 0.440 9.227 1.00 0.00 H new ATOM 0 HB2 ASN A 68 105.169 -0.181 10.689 1.00 0.00 H new ATOM 0 HB3 ASN A 68 104.803 1.332 11.493 1.00 0.00 H new ATOM 0 HD21 ASN A 68 102.906 -0.783 13.588 1.00 0.00 H new ATOM 0 HD22 ASN A 68 104.379 0.173 13.390 1.00 0.00 H new ATOM 1099 N ASP A 69 103.934 3.423 9.968 1.00 0.00 N ATOM 1100 CA ASP A 69 103.539 4.787 10.295 1.00 0.00 C ATOM 1101 C ASP A 69 104.666 5.737 9.934 1.00 0.00 C ATOM 1102 O ASP A 69 104.448 6.830 9.399 1.00 0.00 O ATOM 1103 CB ASP A 69 103.260 4.892 11.808 1.00 0.00 C ATOM 1104 CG ASP A 69 103.073 6.316 12.299 1.00 0.00 C ATOM 1105 OD1 ASP A 69 104.073 6.976 12.640 1.00 0.00 O ATOM 1106 OD2 ASP A 69 101.927 6.782 12.407 1.00 0.00 O ATOM 0 H ASP A 69 104.942 3.328 9.843 1.00 0.00 H new ATOM 0 HA ASP A 69 102.641 5.048 9.735 1.00 0.00 H new ATOM 0 HB2 ASP A 69 102.365 4.316 12.044 1.00 0.00 H new ATOM 0 HB3 ASP A 69 104.086 4.435 12.353 1.00 0.00 H new ATOM 1111 N THR A 70 105.870 5.295 10.208 1.00 0.00 N ATOM 1112 CA THR A 70 107.045 6.084 10.024 1.00 0.00 C ATOM 1113 C THR A 70 107.369 6.272 8.549 1.00 0.00 C ATOM 1114 O THR A 70 107.357 5.313 7.742 1.00 0.00 O ATOM 1115 CB THR A 70 108.232 5.422 10.731 1.00 0.00 C ATOM 1116 OG1 THR A 70 107.814 4.989 12.041 1.00 0.00 O ATOM 1117 CG2 THR A 70 109.382 6.407 10.877 1.00 0.00 C ATOM 0 H THR A 70 106.054 4.360 10.571 1.00 0.00 H new ATOM 0 HA THR A 70 106.857 7.067 10.456 1.00 0.00 H new ATOM 0 HB THR A 70 108.569 4.572 10.138 1.00 0.00 H new ATOM 0 HG1 THR A 70 108.567 4.562 12.500 1.00 0.00 H new ATOM 0 HG21 THR A 70 110.217 5.920 11.381 1.00 0.00 H new ATOM 0 HG22 THR A 70 109.701 6.743 9.890 1.00 0.00 H new ATOM 0 HG23 THR A 70 109.054 7.265 11.464 1.00 0.00 H new ATOM 1125 N CYS A 71 107.673 7.490 8.215 1.00 0.00 N ATOM 1126 CA CYS A 71 108.027 7.863 6.902 1.00 0.00 C ATOM 1127 C CYS A 71 109.501 7.594 6.707 1.00 0.00 C ATOM 1128 O CYS A 71 110.345 8.466 6.870 1.00 0.00 O ATOM 1129 CB CYS A 71 107.704 9.329 6.697 1.00 0.00 C ATOM 1130 SG CYS A 71 108.042 9.964 5.038 1.00 0.00 S ATOM 0 H CYS A 71 107.678 8.266 8.877 1.00 0.00 H new ATOM 0 HA CYS A 71 107.465 7.285 6.168 1.00 0.00 H new ATOM 0 HB2 CYS A 71 106.649 9.488 6.922 1.00 0.00 H new ATOM 0 HB3 CYS A 71 108.275 9.915 7.417 1.00 0.00 H new ATOM 0 HG CYS A 71 107.725 11.224 4.983 1.00 0.00 H new ATOM 1136 N VAL A 72 109.800 6.372 6.368 1.00 0.00 N ATOM 1137 CA VAL A 72 111.161 5.929 6.130 1.00 0.00 C ATOM 1138 C VAL A 72 111.556 6.214 4.659 1.00 0.00 C ATOM 1139 O VAL A 72 112.547 5.728 4.109 1.00 0.00 O ATOM 1140 CB VAL A 72 111.314 4.436 6.605 1.00 0.00 C ATOM 1141 CG1 VAL A 72 112.644 3.794 6.250 1.00 0.00 C ATOM 1142 CG2 VAL A 72 111.162 4.419 8.109 1.00 0.00 C ATOM 0 H VAL A 72 109.102 5.639 6.245 1.00 0.00 H new ATOM 0 HA VAL A 72 111.880 6.493 6.724 1.00 0.00 H new ATOM 0 HB VAL A 72 110.550 3.856 6.087 1.00 0.00 H new ATOM 0 HG11 VAL A 72 112.661 2.767 6.616 1.00 0.00 H new ATOM 0 HG12 VAL A 72 112.772 3.796 5.167 1.00 0.00 H new ATOM 0 HG13 VAL A 72 113.455 4.357 6.712 1.00 0.00 H new ATOM 0 HG21 VAL A 72 111.263 3.397 8.473 1.00 0.00 H new ATOM 0 HG22 VAL A 72 111.934 5.043 8.560 1.00 0.00 H new ATOM 0 HG23 VAL A 72 110.179 4.805 8.380 1.00 0.00 H new ATOM 1152 N LEU A 73 110.779 7.080 4.071 1.00 0.00 N ATOM 1153 CA LEU A 73 110.989 7.551 2.757 1.00 0.00 C ATOM 1154 C LEU A 73 112.187 8.453 2.815 1.00 0.00 C ATOM 1155 O LEU A 73 112.136 9.545 3.404 1.00 0.00 O ATOM 1156 CB LEU A 73 109.735 8.328 2.396 1.00 0.00 C ATOM 1157 CG LEU A 73 109.499 8.653 0.955 1.00 0.00 C ATOM 1158 CD1 LEU A 73 109.701 7.410 0.111 1.00 0.00 C ATOM 1159 CD2 LEU A 73 108.071 9.147 0.824 1.00 0.00 C ATOM 0 H LEU A 73 109.957 7.483 4.521 1.00 0.00 H new ATOM 0 HA LEU A 73 111.166 6.767 2.021 1.00 0.00 H new ATOM 0 HB2 LEU A 73 108.876 7.761 2.755 1.00 0.00 H new ATOM 0 HB3 LEU A 73 109.752 9.266 2.951 1.00 0.00 H new ATOM 0 HG LEU A 73 110.197 9.416 0.611 1.00 0.00 H new ATOM 0 HD11 LEU A 73 109.528 7.650 -0.938 1.00 0.00 H new ATOM 0 HD12 LEU A 73 110.721 7.047 0.237 1.00 0.00 H new ATOM 0 HD13 LEU A 73 108.999 6.638 0.427 1.00 0.00 H new ATOM 0 HD21 LEU A 73 107.865 9.394 -0.218 1.00 0.00 H new ATOM 0 HD22 LEU A 73 107.385 8.368 1.155 1.00 0.00 H new ATOM 0 HD23 LEU A 73 107.935 10.035 1.441 1.00 0.00 H new ATOM 1171 N GLY A 74 113.260 7.991 2.216 1.00 0.00 N ATOM 1172 CA GLY A 74 114.506 8.696 2.264 1.00 0.00 C ATOM 1173 C GLY A 74 115.023 8.841 3.684 1.00 0.00 C ATOM 1174 O GLY A 74 115.579 9.882 4.057 1.00 0.00 O ATOM 0 H GLY A 74 113.287 7.120 1.686 1.00 0.00 H new ATOM 0 HA2 GLY A 74 115.245 8.168 1.661 1.00 0.00 H new ATOM 0 HA3 GLY A 74 114.381 9.684 1.821 1.00 0.00 H new ATOM 1178 N HIS A 75 114.813 7.822 4.489 1.00 0.00 N ATOM 1179 CA HIS A 75 115.257 7.850 5.851 1.00 0.00 C ATOM 1180 C HIS A 75 116.729 7.596 5.861 1.00 0.00 C ATOM 1181 O HIS A 75 117.201 6.633 5.266 1.00 0.00 O ATOM 1182 CB HIS A 75 114.572 6.784 6.662 1.00 0.00 C ATOM 1183 CG HIS A 75 114.000 7.253 7.957 1.00 0.00 C ATOM 1184 ND1 HIS A 75 112.909 8.089 8.081 1.00 0.00 N ATOM 1185 CD2 HIS A 75 114.388 6.970 9.195 1.00 0.00 C ATOM 1186 CE1 HIS A 75 112.680 8.281 9.377 1.00 0.00 C ATOM 1187 NE2 HIS A 75 113.558 7.621 10.110 1.00 0.00 N ATOM 0 H HIS A 75 114.335 6.964 4.215 1.00 0.00 H new ATOM 0 HA HIS A 75 115.019 8.820 6.288 1.00 0.00 H new ATOM 0 HB2 HIS A 75 113.771 6.350 6.063 1.00 0.00 H new ATOM 0 HB3 HIS A 75 115.286 5.986 6.864 1.00 0.00 H new ATOM 0 HD1 HIS A 75 112.372 8.490 7.312 1.00 0.00 H new ATOM 0 HD2 HIS A 75 115.220 6.332 9.455 1.00 0.00 H new ATOM 0 HE1 HIS A 75 111.884 8.893 9.776 1.00 0.00 H new ATOM 1195 N THR A 76 117.429 8.457 6.516 1.00 0.00 N ATOM 1196 CA THR A 76 118.857 8.420 6.603 1.00 0.00 C ATOM 1197 C THR A 76 119.319 7.132 7.304 1.00 0.00 C ATOM 1198 O THR A 76 118.610 6.669 8.199 1.00 0.00 O ATOM 1199 CB THR A 76 119.312 9.641 7.419 1.00 0.00 C ATOM 1200 OG1 THR A 76 118.762 10.846 6.837 1.00 0.00 O ATOM 1201 CG2 THR A 76 120.811 9.763 7.474 1.00 0.00 C ATOM 0 H THR A 76 117.012 9.236 7.026 1.00 0.00 H new ATOM 0 HA THR A 76 119.290 8.439 5.603 1.00 0.00 H new ATOM 0 HB THR A 76 118.948 9.505 8.438 1.00 0.00 H new ATOM 0 HG1 THR A 76 119.051 11.623 7.359 1.00 0.00 H new ATOM 0 HG21 THR A 76 121.083 10.640 8.061 1.00 0.00 H new ATOM 0 HG22 THR A 76 121.232 8.871 7.938 1.00 0.00 H new ATOM 0 HG23 THR A 76 121.205 9.867 6.463 1.00 0.00 H new ATOM 1209 N HIS A 77 120.468 6.565 6.908 1.00 0.00 N ATOM 1210 CA HIS A 77 120.983 5.297 7.473 1.00 0.00 C ATOM 1211 C HIS A 77 120.900 5.261 8.971 1.00 0.00 C ATOM 1212 O HIS A 77 120.302 4.345 9.528 1.00 0.00 O ATOM 1213 CB HIS A 77 122.449 5.091 7.046 1.00 0.00 C ATOM 1214 CG HIS A 77 123.199 3.988 7.787 1.00 0.00 C ATOM 1215 ND1 HIS A 77 122.844 2.657 7.785 1.00 0.00 N ATOM 1216 CD2 HIS A 77 124.285 4.074 8.587 1.00 0.00 C ATOM 1217 CE1 HIS A 77 123.706 1.995 8.562 1.00 0.00 C ATOM 1218 NE2 HIS A 77 124.602 2.810 9.075 1.00 0.00 N ATOM 0 H HIS A 77 121.069 6.967 6.189 1.00 0.00 H new ATOM 0 HA HIS A 77 120.354 4.496 7.084 1.00 0.00 H new ATOM 0 HB2 HIS A 77 122.471 4.868 5.979 1.00 0.00 H new ATOM 0 HB3 HIS A 77 122.986 6.029 7.187 1.00 0.00 H new ATOM 0 HD1 HIS A 77 122.059 2.248 7.278 1.00 0.00 H new ATOM 0 HD2 HIS A 77 124.823 4.983 8.813 1.00 0.00 H new ATOM 0 HE1 HIS A 77 123.672 0.931 8.745 1.00 0.00 H new ATOM 1226 N ALA A 78 121.416 6.284 9.590 1.00 0.00 N ATOM 1227 CA ALA A 78 121.476 6.364 11.038 1.00 0.00 C ATOM 1228 C ALA A 78 120.083 6.280 11.634 1.00 0.00 C ATOM 1229 O ALA A 78 119.850 5.577 12.631 1.00 0.00 O ATOM 1230 CB ALA A 78 122.164 7.654 11.468 1.00 0.00 C ATOM 0 H ALA A 78 121.811 7.094 9.111 1.00 0.00 H new ATOM 0 HA ALA A 78 122.058 5.520 11.408 1.00 0.00 H new ATOM 0 HB1 ALA A 78 122.202 7.701 12.556 1.00 0.00 H new ATOM 0 HB2 ALA A 78 123.178 7.676 11.068 1.00 0.00 H new ATOM 0 HB3 ALA A 78 121.605 8.509 11.087 1.00 0.00 H new ATOM 1236 N GLN A 79 119.145 6.901 10.958 1.00 0.00 N ATOM 1237 CA GLN A 79 117.815 6.993 11.444 1.00 0.00 C ATOM 1238 C GLN A 79 117.092 5.666 11.260 1.00 0.00 C ATOM 1239 O GLN A 79 116.518 5.106 12.204 1.00 0.00 O ATOM 1240 CB GLN A 79 117.091 8.110 10.707 1.00 0.00 C ATOM 1241 CG GLN A 79 117.767 9.462 10.822 1.00 0.00 C ATOM 1242 CD GLN A 79 118.015 9.887 12.247 1.00 0.00 C ATOM 1243 OE1 GLN A 79 117.270 9.541 13.169 1.00 0.00 O ATOM 1244 NE2 GLN A 79 119.066 10.616 12.443 1.00 0.00 N ATOM 0 H GLN A 79 119.297 7.353 10.056 1.00 0.00 H new ATOM 0 HA GLN A 79 117.830 7.221 12.510 1.00 0.00 H new ATOM 0 HB2 GLN A 79 117.010 7.844 9.653 1.00 0.00 H new ATOM 0 HB3 GLN A 79 116.075 8.189 11.094 1.00 0.00 H new ATOM 0 HG2 GLN A 79 118.717 9.432 10.289 1.00 0.00 H new ATOM 0 HG3 GLN A 79 117.149 10.212 10.329 1.00 0.00 H new ATOM 0 HE21 GLN A 79 119.657 10.881 11.655 1.00 0.00 H new ATOM 0 HE22 GLN A 79 119.304 10.925 13.385 1.00 0.00 H new ATOM 1253 N VAL A 80 117.172 5.151 10.056 1.00 0.00 N ATOM 1254 CA VAL A 80 116.512 3.925 9.701 1.00 0.00 C ATOM 1255 C VAL A 80 117.062 2.713 10.459 1.00 0.00 C ATOM 1256 O VAL A 80 116.282 1.897 10.963 1.00 0.00 O ATOM 1257 CB VAL A 80 116.482 3.681 8.172 1.00 0.00 C ATOM 1258 CG1 VAL A 80 117.873 3.522 7.585 1.00 0.00 C ATOM 1259 CG2 VAL A 80 115.609 2.489 7.868 1.00 0.00 C ATOM 0 H VAL A 80 117.700 5.576 9.294 1.00 0.00 H new ATOM 0 HA VAL A 80 115.477 4.049 10.019 1.00 0.00 H new ATOM 0 HB VAL A 80 116.055 4.563 7.695 1.00 0.00 H new ATOM 0 HG11 VAL A 80 117.797 3.353 6.511 1.00 0.00 H new ATOM 0 HG12 VAL A 80 118.452 4.427 7.770 1.00 0.00 H new ATOM 0 HG13 VAL A 80 118.370 2.672 8.052 1.00 0.00 H new ATOM 0 HG21 VAL A 80 115.588 2.318 6.792 1.00 0.00 H new ATOM 0 HG22 VAL A 80 116.010 1.607 8.368 1.00 0.00 H new ATOM 0 HG23 VAL A 80 114.597 2.679 8.225 1.00 0.00 H new ATOM 1269 N VAL A 81 118.387 2.627 10.602 1.00 0.00 N ATOM 1270 CA VAL A 81 118.989 1.496 11.307 1.00 0.00 C ATOM 1271 C VAL A 81 118.551 1.506 12.756 1.00 0.00 C ATOM 1272 O VAL A 81 118.261 0.469 13.331 1.00 0.00 O ATOM 1273 CB VAL A 81 120.562 1.425 11.187 1.00 0.00 C ATOM 1274 CG1 VAL A 81 121.270 2.583 11.885 1.00 0.00 C ATOM 1275 CG2 VAL A 81 121.091 0.094 11.703 1.00 0.00 C ATOM 0 H VAL A 81 119.052 3.314 10.246 1.00 0.00 H new ATOM 0 HA VAL A 81 118.626 0.593 10.816 1.00 0.00 H new ATOM 0 HB VAL A 81 120.787 1.511 10.124 1.00 0.00 H new ATOM 0 HG11 VAL A 81 122.348 2.475 11.766 1.00 0.00 H new ATOM 0 HG12 VAL A 81 120.948 3.526 11.443 1.00 0.00 H new ATOM 0 HG13 VAL A 81 121.020 2.576 12.946 1.00 0.00 H new ATOM 0 HG21 VAL A 81 122.177 0.073 11.608 1.00 0.00 H new ATOM 0 HG22 VAL A 81 120.816 -0.025 12.751 1.00 0.00 H new ATOM 0 HG23 VAL A 81 120.660 -0.720 11.120 1.00 0.00 H new ATOM 1285 N LYS A 82 118.426 2.693 13.302 1.00 0.00 N ATOM 1286 CA LYS A 82 117.991 2.872 14.653 1.00 0.00 C ATOM 1287 C LYS A 82 116.560 2.331 14.856 1.00 0.00 C ATOM 1288 O LYS A 82 116.288 1.658 15.846 1.00 0.00 O ATOM 1289 CB LYS A 82 118.155 4.367 15.009 1.00 0.00 C ATOM 1290 CG LYS A 82 117.641 4.873 16.371 1.00 0.00 C ATOM 1291 CD LYS A 82 116.124 5.113 16.408 1.00 0.00 C ATOM 1292 CE LYS A 82 115.648 6.099 15.324 1.00 0.00 C ATOM 1293 NZ LYS A 82 116.287 7.443 15.401 1.00 0.00 N ATOM 0 H LYS A 82 118.627 3.564 12.811 1.00 0.00 H new ATOM 0 HA LYS A 82 118.603 2.290 15.342 1.00 0.00 H new ATOM 0 HB2 LYS A 82 119.217 4.604 14.950 1.00 0.00 H new ATOM 0 HB3 LYS A 82 117.655 4.947 14.233 1.00 0.00 H new ATOM 0 HG2 LYS A 82 117.904 4.148 17.141 1.00 0.00 H new ATOM 0 HG3 LYS A 82 118.153 5.802 16.620 1.00 0.00 H new ATOM 0 HD2 LYS A 82 115.607 4.162 16.280 1.00 0.00 H new ATOM 0 HD3 LYS A 82 115.846 5.497 17.389 1.00 0.00 H new ATOM 0 HE2 LYS A 82 115.849 5.669 14.343 1.00 0.00 H new ATOM 0 HE3 LYS A 82 114.567 6.217 15.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 115.916 8.048 14.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 116.075 7.876 16.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 117.317 7.344 15.294 1.00 0.00 H new ATOM 1307 N ILE A 83 115.676 2.582 13.896 1.00 0.00 N ATOM 1308 CA ILE A 83 114.279 2.168 14.020 1.00 0.00 C ATOM 1309 C ILE A 83 114.174 0.670 13.849 1.00 0.00 C ATOM 1310 O ILE A 83 113.603 -0.063 14.685 1.00 0.00 O ATOM 1311 CB ILE A 83 113.387 2.854 12.953 1.00 0.00 C ATOM 1312 CG1 ILE A 83 113.425 4.366 13.117 1.00 0.00 C ATOM 1313 CG2 ILE A 83 111.942 2.347 13.025 1.00 0.00 C ATOM 1314 CD1 ILE A 83 112.637 5.098 12.070 1.00 0.00 C ATOM 0 H ILE A 83 115.898 3.067 13.027 1.00 0.00 H new ATOM 0 HA ILE A 83 113.932 2.465 15.010 1.00 0.00 H new ATOM 0 HB ILE A 83 113.786 2.597 11.972 1.00 0.00 H new ATOM 0 HG12 ILE A 83 113.038 4.627 14.102 1.00 0.00 H new ATOM 0 HG13 ILE A 83 114.461 4.702 13.083 1.00 0.00 H new ATOM 0 HG21 ILE A 83 111.343 2.847 12.264 1.00 0.00 H new ATOM 0 HG22 ILE A 83 111.925 1.271 12.851 1.00 0.00 H new ATOM 0 HG23 ILE A 83 111.530 2.562 14.011 1.00 0.00 H new ATOM 0 HD11 ILE A 83 112.707 6.171 12.246 1.00 0.00 H new ATOM 0 HD12 ILE A 83 113.038 4.865 11.084 1.00 0.00 H new ATOM 0 HD13 ILE A 83 111.593 4.790 12.119 1.00 0.00 H new ATOM 1326 N PHE A 84 114.772 0.231 12.795 1.00 0.00 N ATOM 1327 CA PHE A 84 114.723 -1.125 12.369 1.00 0.00 C ATOM 1328 C PHE A 84 115.427 -2.074 13.327 1.00 0.00 C ATOM 1329 O PHE A 84 114.964 -3.184 13.544 1.00 0.00 O ATOM 1330 CB PHE A 84 115.242 -1.211 10.946 1.00 0.00 C ATOM 1331 CG PHE A 84 114.217 -0.816 9.891 1.00 0.00 C ATOM 1332 CD1 PHE A 84 113.617 0.425 9.909 1.00 0.00 C ATOM 1333 CD2 PHE A 84 113.860 -1.695 8.890 1.00 0.00 C ATOM 1334 CE1 PHE A 84 112.688 0.777 8.959 1.00 0.00 C ATOM 1335 CE2 PHE A 84 112.931 -1.350 7.931 1.00 0.00 C ATOM 1336 CZ PHE A 84 112.344 -0.113 7.967 1.00 0.00 C ATOM 0 H PHE A 84 115.329 0.829 12.184 1.00 0.00 H new ATOM 0 HA PHE A 84 113.686 -1.462 12.380 1.00 0.00 H new ATOM 0 HB2 PHE A 84 116.116 -0.567 10.849 1.00 0.00 H new ATOM 0 HB3 PHE A 84 115.574 -2.231 10.752 1.00 0.00 H new ATOM 0 HD1 PHE A 84 113.881 1.132 10.682 1.00 0.00 H new ATOM 0 HD2 PHE A 84 114.317 -2.673 8.857 1.00 0.00 H new ATOM 0 HE1 PHE A 84 112.227 1.753 8.991 1.00 0.00 H new ATOM 0 HE2 PHE A 84 112.667 -2.053 7.154 1.00 0.00 H new ATOM 0 HZ PHE A 84 111.614 0.163 7.220 1.00 0.00 H new ATOM 1346 N GLN A 85 116.510 -1.629 13.927 1.00 0.00 N ATOM 1347 CA GLN A 85 117.204 -2.442 14.904 1.00 0.00 C ATOM 1348 C GLN A 85 116.609 -2.292 16.313 1.00 0.00 C ATOM 1349 O GLN A 85 116.902 -3.096 17.205 1.00 0.00 O ATOM 1350 CB GLN A 85 118.722 -2.203 14.860 1.00 0.00 C ATOM 1351 CG GLN A 85 119.372 -2.792 13.621 1.00 0.00 C ATOM 1352 CD GLN A 85 119.224 -4.314 13.564 1.00 0.00 C ATOM 1353 OE1 GLN A 85 119.198 -4.992 14.599 1.00 0.00 O ATOM 1354 NE2 GLN A 85 119.129 -4.864 12.390 1.00 0.00 N ATOM 0 H GLN A 85 116.928 -0.714 13.757 1.00 0.00 H new ATOM 0 HA GLN A 85 117.049 -3.486 14.630 1.00 0.00 H new ATOM 0 HB2 GLN A 85 118.918 -1.131 14.894 1.00 0.00 H new ATOM 0 HB3 GLN A 85 119.180 -2.639 15.748 1.00 0.00 H new ATOM 0 HG2 GLN A 85 118.923 -2.351 12.731 1.00 0.00 H new ATOM 0 HG3 GLN A 85 120.430 -2.530 13.607 1.00 0.00 H new ATOM 0 HE21 GLN A 85 119.153 -4.284 11.552 1.00 0.00 H new ATOM 0 HE22 GLN A 85 119.030 -5.876 12.307 1.00 0.00 H new ATOM 1363 N SER A 86 115.766 -1.272 16.506 1.00 0.00 N ATOM 1364 CA SER A 86 115.048 -1.096 17.772 1.00 0.00 C ATOM 1365 C SER A 86 113.873 -2.072 17.826 1.00 0.00 C ATOM 1366 O SER A 86 113.376 -2.400 18.906 1.00 0.00 O ATOM 1367 CB SER A 86 114.527 0.347 17.904 1.00 0.00 C ATOM 1368 OG SER A 86 113.912 0.594 19.171 1.00 0.00 O ATOM 0 H SER A 86 115.565 -0.559 15.805 1.00 0.00 H new ATOM 0 HA SER A 86 115.733 -1.294 18.596 1.00 0.00 H new ATOM 0 HB2 SER A 86 115.354 1.043 17.764 1.00 0.00 H new ATOM 0 HB3 SER A 86 113.807 0.544 17.110 1.00 0.00 H new ATOM 0 HG SER A 86 113.599 1.522 19.207 1.00 0.00 H new ATOM 1374 N ILE A 87 113.426 -2.489 16.648 1.00 0.00 N ATOM 1375 CA ILE A 87 112.348 -3.435 16.475 1.00 0.00 C ATOM 1376 C ILE A 87 112.481 -4.717 17.359 1.00 0.00 C ATOM 1377 O ILE A 87 113.571 -5.277 17.497 1.00 0.00 O ATOM 1378 CB ILE A 87 112.193 -3.803 14.972 1.00 0.00 C ATOM 1379 CG1 ILE A 87 111.376 -2.750 14.220 1.00 0.00 C ATOM 1380 CG2 ILE A 87 111.661 -5.177 14.736 1.00 0.00 C ATOM 1381 CD1 ILE A 87 110.794 -3.265 12.915 1.00 0.00 C ATOM 0 H ILE A 87 113.820 -2.164 15.765 1.00 0.00 H new ATOM 0 HA ILE A 87 111.443 -2.938 16.823 1.00 0.00 H new ATOM 0 HB ILE A 87 113.205 -3.808 14.567 1.00 0.00 H new ATOM 0 HG12 ILE A 87 110.565 -2.403 14.860 1.00 0.00 H new ATOM 0 HG13 ILE A 87 112.010 -1.888 14.013 1.00 0.00 H new ATOM 0 HG21 ILE A 87 111.582 -5.357 13.664 1.00 0.00 H new ATOM 0 HG22 ILE A 87 112.336 -5.910 15.179 1.00 0.00 H new ATOM 0 HG23 ILE A 87 110.676 -5.269 15.193 1.00 0.00 H new ATOM 0 HD11 ILE A 87 110.226 -2.470 12.431 1.00 0.00 H new ATOM 0 HD12 ILE A 87 111.602 -3.586 12.258 1.00 0.00 H new ATOM 0 HD13 ILE A 87 110.135 -4.109 13.118 1.00 0.00 H new ATOM 1393 N PRO A 88 111.359 -5.162 17.981 1.00 0.00 N ATOM 1394 CA PRO A 88 111.305 -6.359 18.829 1.00 0.00 C ATOM 1395 C PRO A 88 110.749 -7.587 18.078 1.00 0.00 C ATOM 1396 O PRO A 88 110.017 -7.463 17.100 1.00 0.00 O ATOM 1397 CB PRO A 88 110.315 -5.922 19.909 1.00 0.00 C ATOM 1398 CG PRO A 88 109.384 -4.943 19.231 1.00 0.00 C ATOM 1399 CD PRO A 88 110.036 -4.524 17.922 1.00 0.00 C ATOM 0 HA PRO A 88 112.286 -6.668 19.191 1.00 0.00 H new ATOM 0 HB2 PRO A 88 109.765 -6.775 20.306 1.00 0.00 H new ATOM 0 HB3 PRO A 88 110.831 -5.456 20.749 1.00 0.00 H new ATOM 0 HG2 PRO A 88 108.413 -5.402 19.046 1.00 0.00 H new ATOM 0 HG3 PRO A 88 109.210 -4.076 19.868 1.00 0.00 H new ATOM 0 HD2 PRO A 88 109.463 -4.866 17.060 1.00 0.00 H new ATOM 0 HD3 PRO A 88 110.116 -3.440 17.842 1.00 0.00 H new ATOM 1407 N ILE A 89 111.144 -8.756 18.517 1.00 0.00 N ATOM 1408 CA ILE A 89 110.680 -10.018 17.944 1.00 0.00 C ATOM 1409 C ILE A 89 109.188 -10.228 18.264 1.00 0.00 C ATOM 1410 O ILE A 89 108.747 -9.938 19.385 1.00 0.00 O ATOM 1411 CB ILE A 89 111.459 -11.209 18.565 1.00 0.00 C ATOM 1412 CG1 ILE A 89 112.952 -10.960 18.501 1.00 0.00 C ATOM 1413 CG2 ILE A 89 111.113 -12.512 17.862 1.00 0.00 C ATOM 1414 CD1 ILE A 89 113.786 -11.949 19.254 1.00 0.00 C ATOM 0 H ILE A 89 111.802 -8.871 19.288 1.00 0.00 H new ATOM 0 HA ILE A 89 110.841 -9.975 16.867 1.00 0.00 H new ATOM 0 HB ILE A 89 111.163 -11.295 19.610 1.00 0.00 H new ATOM 0 HG12 ILE A 89 113.263 -10.965 17.456 1.00 0.00 H new ATOM 0 HG13 ILE A 89 113.157 -9.962 18.890 1.00 0.00 H new ATOM 0 HG21 ILE A 89 111.672 -13.330 18.316 1.00 0.00 H new ATOM 0 HG22 ILE A 89 110.045 -12.705 17.959 1.00 0.00 H new ATOM 0 HG23 ILE A 89 111.374 -12.436 16.806 1.00 0.00 H new ATOM 0 HD11 ILE A 89 114.840 -11.690 19.151 1.00 0.00 H new ATOM 0 HD12 ILE A 89 113.510 -11.930 20.308 1.00 0.00 H new ATOM 0 HD13 ILE A 89 113.617 -12.948 18.852 1.00 0.00 H new ATOM 1426 N GLY A 90 108.438 -10.748 17.302 1.00 0.00 N ATOM 1427 CA GLY A 90 107.051 -11.069 17.540 1.00 0.00 C ATOM 1428 C GLY A 90 106.147 -9.923 17.216 1.00 0.00 C ATOM 1429 O GLY A 90 104.966 -9.925 17.569 1.00 0.00 O ATOM 0 H GLY A 90 108.770 -10.953 16.359 1.00 0.00 H new ATOM 0 HA2 GLY A 90 106.771 -11.933 16.938 1.00 0.00 H new ATOM 0 HA3 GLY A 90 106.918 -11.351 18.584 1.00 0.00 H new ATOM 1433 N ALA A 91 106.681 -8.940 16.556 1.00 0.00 N ATOM 1434 CA ALA A 91 105.929 -7.689 16.361 1.00 0.00 C ATOM 1435 C ALA A 91 105.401 -7.534 14.912 1.00 0.00 C ATOM 1436 O ALA A 91 105.463 -8.472 14.133 1.00 0.00 O ATOM 1437 CB ALA A 91 106.733 -6.496 16.860 1.00 0.00 C ATOM 0 H ALA A 91 107.613 -8.955 16.142 1.00 0.00 H new ATOM 0 HA ALA A 91 105.028 -7.733 16.973 1.00 0.00 H new ATOM 0 HB1 ALA A 91 106.160 -5.581 16.707 1.00 0.00 H new ATOM 0 HB2 ALA A 91 106.944 -6.618 17.922 1.00 0.00 H new ATOM 0 HB3 ALA A 91 107.671 -6.433 16.308 1.00 0.00 H new ATOM 1443 N SER A 92 104.890 -6.368 14.551 1.00 0.00 N ATOM 1444 CA SER A 92 104.164 -6.208 13.274 1.00 0.00 C ATOM 1445 C SER A 92 104.288 -4.807 12.656 1.00 0.00 C ATOM 1446 O SER A 92 104.252 -3.814 13.364 1.00 0.00 O ATOM 1447 CB SER A 92 102.696 -6.584 13.507 1.00 0.00 C ATOM 1448 OG SER A 92 102.168 -5.981 14.681 1.00 0.00 O ATOM 0 H SER A 92 104.956 -5.517 15.110 1.00 0.00 H new ATOM 0 HA SER A 92 104.623 -6.873 12.543 1.00 0.00 H new ATOM 0 HB2 SER A 92 102.103 -6.278 12.645 1.00 0.00 H new ATOM 0 HB3 SER A 92 102.608 -7.668 13.586 1.00 0.00 H new ATOM 0 HG SER A 92 101.231 -6.245 14.791 1.00 0.00 H new ATOM 1454 N VAL A 93 104.470 -4.748 11.326 1.00 0.00 N ATOM 1455 CA VAL A 93 104.447 -3.472 10.589 1.00 0.00 C ATOM 1456 C VAL A 93 103.861 -3.670 9.250 1.00 0.00 C ATOM 1457 O VAL A 93 103.895 -4.769 8.709 1.00 0.00 O ATOM 1458 CB VAL A 93 105.823 -2.788 10.361 1.00 0.00 C ATOM 1459 CG1 VAL A 93 106.508 -2.357 11.627 1.00 0.00 C ATOM 1460 CG2 VAL A 93 106.728 -3.596 9.438 1.00 0.00 C ATOM 0 H VAL A 93 104.634 -5.567 10.740 1.00 0.00 H new ATOM 0 HA VAL A 93 103.860 -2.820 11.235 1.00 0.00 H new ATOM 0 HB VAL A 93 105.600 -1.858 9.839 1.00 0.00 H new ATOM 0 HG11 VAL A 93 107.462 -1.889 11.383 1.00 0.00 H new ATOM 0 HG12 VAL A 93 105.878 -1.643 12.157 1.00 0.00 H new ATOM 0 HG13 VAL A 93 106.682 -3.227 12.261 1.00 0.00 H new ATOM 0 HG21 VAL A 93 107.677 -3.075 9.311 1.00 0.00 H new ATOM 0 HG22 VAL A 93 106.909 -4.578 9.874 1.00 0.00 H new ATOM 0 HG23 VAL A 93 106.246 -3.714 8.467 1.00 0.00 H new ATOM 1470 N ASP A 94 103.361 -2.613 8.733 1.00 0.00 N ATOM 1471 CA ASP A 94 102.855 -2.554 7.398 1.00 0.00 C ATOM 1472 C ASP A 94 103.931 -1.929 6.546 1.00 0.00 C ATOM 1473 O ASP A 94 104.178 -0.741 6.640 1.00 0.00 O ATOM 1474 CB ASP A 94 101.624 -1.668 7.372 1.00 0.00 C ATOM 1475 CG ASP A 94 100.396 -2.280 7.994 1.00 0.00 C ATOM 1476 OD1 ASP A 94 99.893 -3.291 7.479 1.00 0.00 O ATOM 1477 OD2 ASP A 94 99.871 -1.721 8.985 1.00 0.00 O ATOM 0 H ASP A 94 103.286 -1.729 9.237 1.00 0.00 H new ATOM 0 HA ASP A 94 102.590 -3.546 7.033 1.00 0.00 H new ATOM 0 HB2 ASP A 94 101.852 -0.737 7.891 1.00 0.00 H new ATOM 0 HB3 ASP A 94 101.400 -1.410 6.337 1.00 0.00 H new ATOM 1482 N LEU A 95 104.575 -2.699 5.741 1.00 0.00 N ATOM 1483 CA LEU A 95 105.688 -2.203 4.983 1.00 0.00 C ATOM 1484 C LEU A 95 105.251 -1.784 3.584 1.00 0.00 C ATOM 1485 O LEU A 95 104.665 -2.571 2.840 1.00 0.00 O ATOM 1486 CB LEU A 95 106.745 -3.276 4.894 1.00 0.00 C ATOM 1487 CG LEU A 95 108.162 -2.796 4.727 1.00 0.00 C ATOM 1488 CD1 LEU A 95 108.611 -2.125 5.992 1.00 0.00 C ATOM 1489 CD2 LEU A 95 109.043 -3.943 4.427 1.00 0.00 C ATOM 0 H LEU A 95 104.354 -3.682 5.584 1.00 0.00 H new ATOM 0 HA LEU A 95 106.094 -1.326 5.486 1.00 0.00 H new ATOM 0 HB2 LEU A 95 106.693 -3.885 5.797 1.00 0.00 H new ATOM 0 HB3 LEU A 95 106.502 -3.928 4.055 1.00 0.00 H new ATOM 0 HG LEU A 95 108.212 -2.084 3.903 1.00 0.00 H new ATOM 0 HD11 LEU A 95 109.637 -1.776 5.874 1.00 0.00 H new ATOM 0 HD12 LEU A 95 107.961 -1.276 6.204 1.00 0.00 H new ATOM 0 HD13 LEU A 95 108.562 -2.835 6.818 1.00 0.00 H new ATOM 0 HD21 LEU A 95 110.068 -3.593 4.307 1.00 0.00 H new ATOM 0 HD22 LEU A 95 108.999 -4.660 5.247 1.00 0.00 H new ATOM 0 HD23 LEU A 95 108.713 -4.424 3.506 1.00 0.00 H new ATOM 1501 N GLU A 96 105.558 -0.569 3.228 1.00 0.00 N ATOM 1502 CA GLU A 96 105.177 -0.032 1.948 1.00 0.00 C ATOM 1503 C GLU A 96 106.406 0.084 1.055 1.00 0.00 C ATOM 1504 O GLU A 96 107.356 0.828 1.377 1.00 0.00 O ATOM 1505 CB GLU A 96 104.484 1.320 2.150 1.00 0.00 C ATOM 1506 CG GLU A 96 103.970 1.959 0.880 1.00 0.00 C ATOM 1507 CD GLU A 96 102.969 3.059 1.149 1.00 0.00 C ATOM 1508 OE1 GLU A 96 103.360 4.231 1.326 1.00 0.00 O ATOM 1509 OE2 GLU A 96 101.743 2.749 1.194 1.00 0.00 O ATOM 0 H GLU A 96 106.080 0.080 3.816 1.00 0.00 H new ATOM 0 HA GLU A 96 104.471 -0.699 1.452 1.00 0.00 H new ATOM 0 HB2 GLU A 96 103.649 1.186 2.838 1.00 0.00 H new ATOM 0 HB3 GLU A 96 105.184 2.005 2.628 1.00 0.00 H new ATOM 0 HG2 GLU A 96 104.810 2.366 0.317 1.00 0.00 H new ATOM 0 HG3 GLU A 96 103.507 1.196 0.255 1.00 0.00 H new ATOM 1516 N LEU A 97 106.423 -0.678 -0.027 1.00 0.00 N ATOM 1517 CA LEU A 97 107.550 -0.678 -0.937 1.00 0.00 C ATOM 1518 C LEU A 97 107.093 -0.795 -2.389 1.00 0.00 C ATOM 1519 O LEU A 97 105.988 -1.261 -2.676 1.00 0.00 O ATOM 1520 CB LEU A 97 108.596 -1.780 -0.577 1.00 0.00 C ATOM 1521 CG LEU A 97 108.285 -3.275 -0.858 1.00 0.00 C ATOM 1522 CD1 LEU A 97 109.446 -4.107 -0.375 1.00 0.00 C ATOM 1523 CD2 LEU A 97 107.012 -3.750 -0.175 1.00 0.00 C ATOM 0 H LEU A 97 105.665 -1.306 -0.294 1.00 0.00 H new ATOM 0 HA LEU A 97 108.051 0.283 -0.824 1.00 0.00 H new ATOM 0 HB2 LEU A 97 109.517 -1.537 -1.107 1.00 0.00 H new ATOM 0 HB3 LEU A 97 108.808 -1.689 0.488 1.00 0.00 H new ATOM 0 HG LEU A 97 108.135 -3.387 -1.932 1.00 0.00 H new ATOM 0 HD11 LEU A 97 109.243 -5.161 -0.565 1.00 0.00 H new ATOM 0 HD12 LEU A 97 110.351 -3.811 -0.905 1.00 0.00 H new ATOM 0 HD13 LEU A 97 109.585 -3.952 0.695 1.00 0.00 H new ATOM 0 HD21 LEU A 97 106.845 -4.802 -0.407 1.00 0.00 H new ATOM 0 HD22 LEU A 97 107.110 -3.628 0.904 1.00 0.00 H new ATOM 0 HD23 LEU A 97 106.167 -3.161 -0.531 1.00 0.00 H new ATOM 1535 N CYS A 98 107.918 -0.369 -3.287 1.00 0.00 N ATOM 1536 CA CYS A 98 107.603 -0.442 -4.683 1.00 0.00 C ATOM 1537 C CYS A 98 108.600 -1.330 -5.388 1.00 0.00 C ATOM 1538 O CYS A 98 109.794 -1.300 -5.093 1.00 0.00 O ATOM 1539 CB CYS A 98 107.584 0.950 -5.305 1.00 0.00 C ATOM 1540 SG CYS A 98 106.402 2.080 -4.538 1.00 0.00 S ATOM 0 H CYS A 98 108.829 0.040 -3.079 1.00 0.00 H new ATOM 0 HA CYS A 98 106.608 -0.873 -4.797 1.00 0.00 H new ATOM 0 HB2 CYS A 98 108.582 1.382 -5.235 1.00 0.00 H new ATOM 0 HB3 CYS A 98 107.349 0.860 -6.366 1.00 0.00 H new ATOM 0 HG CYS A 98 106.002 2.952 -5.416 1.00 0.00 H new ATOM 1546 N ARG A 99 108.125 -2.114 -6.293 1.00 0.00 N ATOM 1547 CA ARG A 99 108.951 -3.010 -7.031 1.00 0.00 C ATOM 1548 C ARG A 99 109.024 -2.505 -8.448 1.00 0.00 C ATOM 1549 O ARG A 99 108.004 -2.226 -9.043 1.00 0.00 O ATOM 1550 CB ARG A 99 108.338 -4.390 -7.023 1.00 0.00 C ATOM 1551 CG ARG A 99 109.122 -5.415 -7.765 1.00 0.00 C ATOM 1552 CD ARG A 99 110.311 -5.837 -6.967 1.00 0.00 C ATOM 1553 NE ARG A 99 109.893 -6.595 -5.825 1.00 0.00 N ATOM 1554 CZ ARG A 99 109.607 -7.866 -5.816 1.00 0.00 C ATOM 1555 NH1 ARG A 99 109.774 -8.612 -6.895 1.00 0.00 N ATOM 1556 NH2 ARG A 99 109.196 -8.384 -4.706 1.00 0.00 N ATOM 0 H ARG A 99 107.138 -2.152 -6.546 1.00 0.00 H new ATOM 0 HA ARG A 99 109.945 -3.063 -6.588 1.00 0.00 H new ATOM 0 HB2 ARG A 99 108.222 -4.717 -5.990 1.00 0.00 H new ATOM 0 HB3 ARG A 99 107.338 -4.333 -7.454 1.00 0.00 H new ATOM 0 HG2 ARG A 99 108.493 -6.280 -7.978 1.00 0.00 H new ATOM 0 HG3 ARG A 99 109.445 -5.011 -8.725 1.00 0.00 H new ATOM 0 HD2 ARG A 99 110.980 -6.435 -7.585 1.00 0.00 H new ATOM 0 HD3 ARG A 99 110.873 -4.960 -6.645 1.00 0.00 H new ATOM 0 HE ARG A 99 109.812 -6.095 -4.940 1.00 0.00 H new ATOM 0 HH11 ARG A 99 110.132 -8.194 -7.754 1.00 0.00 H new ATOM 0 HH12 ARG A 99 109.545 -9.605 -6.869 1.00 0.00 H new ATOM 0 HH21 ARG A 99 109.105 -7.801 -3.874 1.00 0.00 H new ATOM 0 HH22 ARG A 99 108.963 -9.376 -4.662 1.00 0.00 H new ATOM 1570 N GLY A 100 110.201 -2.437 -8.986 1.00 0.00 N ATOM 1571 CA GLY A 100 110.377 -1.885 -10.309 1.00 0.00 C ATOM 1572 C GLY A 100 111.826 -1.700 -10.589 1.00 0.00 C ATOM 1573 O GLY A 100 112.276 -1.762 -11.728 1.00 0.00 O ATOM 0 H GLY A 100 111.060 -2.755 -8.536 1.00 0.00 H new ATOM 0 HA2 GLY A 100 109.936 -2.549 -11.052 1.00 0.00 H new ATOM 0 HA3 GLY A 100 109.857 -0.930 -10.387 1.00 0.00 H new ATOM 1577 N TYR A 101 112.548 -1.453 -9.540 1.00 0.00 N ATOM 1578 CA TYR A 101 113.974 -1.340 -9.591 1.00 0.00 C ATOM 1579 C TYR A 101 114.571 -2.695 -9.269 1.00 0.00 C ATOM 1580 O TYR A 101 113.979 -3.459 -8.507 1.00 0.00 O ATOM 1581 CB TYR A 101 114.449 -0.279 -8.583 1.00 0.00 C ATOM 1582 CG TYR A 101 114.139 1.142 -9.009 1.00 0.00 C ATOM 1583 CD1 TYR A 101 112.897 1.716 -8.767 1.00 0.00 C ATOM 1584 CD2 TYR A 101 115.095 1.903 -9.668 1.00 0.00 C ATOM 1585 CE1 TYR A 101 112.618 3.006 -9.173 1.00 0.00 C ATOM 1586 CE2 TYR A 101 114.825 3.193 -10.072 1.00 0.00 C ATOM 1587 CZ TYR A 101 113.587 3.740 -9.823 1.00 0.00 C ATOM 1588 OH TYR A 101 113.309 5.027 -10.245 1.00 0.00 O ATOM 0 H TYR A 101 112.156 -1.322 -8.607 1.00 0.00 H new ATOM 0 HA TYR A 101 114.297 -1.028 -10.584 1.00 0.00 H new ATOM 0 HB2 TYR A 101 113.980 -0.471 -7.618 1.00 0.00 H new ATOM 0 HB3 TYR A 101 115.525 -0.381 -8.441 1.00 0.00 H new ATOM 0 HD1 TYR A 101 112.138 1.144 -8.253 1.00 0.00 H new ATOM 0 HD2 TYR A 101 116.067 1.477 -9.868 1.00 0.00 H new ATOM 0 HE1 TYR A 101 111.646 3.437 -8.982 1.00 0.00 H new ATOM 0 HE2 TYR A 101 115.581 3.772 -10.581 1.00 0.00 H new ATOM 0 HH TYR A 101 112.446 5.040 -10.710 1.00 0.00 H new ATOM 1598 N PRO A 102 115.650 -3.076 -9.944 1.00 0.00 N ATOM 1599 CA PRO A 102 116.386 -4.289 -9.637 1.00 0.00 C ATOM 1600 C PRO A 102 117.583 -3.939 -8.748 1.00 0.00 C ATOM 1601 O PRO A 102 117.624 -2.861 -8.148 1.00 0.00 O ATOM 1602 CB PRO A 102 116.867 -4.703 -11.028 1.00 0.00 C ATOM 1603 CG PRO A 102 117.158 -3.409 -11.722 1.00 0.00 C ATOM 1604 CD PRO A 102 116.238 -2.373 -11.110 1.00 0.00 C ATOM 0 HA PRO A 102 115.816 -5.057 -9.114 1.00 0.00 H new ATOM 0 HB2 PRO A 102 117.756 -5.332 -10.970 1.00 0.00 H new ATOM 0 HB3 PRO A 102 116.106 -5.275 -11.558 1.00 0.00 H new ATOM 0 HG2 PRO A 102 118.202 -3.125 -11.591 1.00 0.00 H new ATOM 0 HG3 PRO A 102 116.984 -3.497 -12.794 1.00 0.00 H new ATOM 0 HD2 PRO A 102 116.785 -1.480 -10.806 1.00 0.00 H new ATOM 0 HD3 PRO A 102 115.470 -2.052 -11.814 1.00 0.00 H new ATOM 1612 N LEU A 103 118.538 -4.825 -8.654 1.00 0.00 N ATOM 1613 CA LEU A 103 119.738 -4.544 -7.913 1.00 0.00 C ATOM 1614 C LEU A 103 120.851 -4.374 -8.970 1.00 0.00 C ATOM 1615 O LEU A 103 121.558 -5.327 -9.296 1.00 0.00 O ATOM 1616 CB LEU A 103 120.021 -5.721 -6.949 1.00 0.00 C ATOM 1617 CG LEU A 103 120.821 -5.435 -5.657 1.00 0.00 C ATOM 1618 CD1 LEU A 103 122.233 -4.978 -5.933 1.00 0.00 C ATOM 1619 CD2 LEU A 103 120.097 -4.418 -4.800 1.00 0.00 C ATOM 0 H LEU A 103 118.508 -5.750 -9.083 1.00 0.00 H new ATOM 0 HA LEU A 103 119.665 -3.645 -7.300 1.00 0.00 H new ATOM 0 HB2 LEU A 103 119.062 -6.150 -6.658 1.00 0.00 H new ATOM 0 HB3 LEU A 103 120.557 -6.488 -7.509 1.00 0.00 H new ATOM 0 HG LEU A 103 120.893 -6.379 -5.116 1.00 0.00 H new ATOM 0 HD11 LEU A 103 122.746 -4.792 -4.990 1.00 0.00 H new ATOM 0 HD12 LEU A 103 122.764 -5.751 -6.489 1.00 0.00 H new ATOM 0 HD13 LEU A 103 122.210 -4.060 -6.520 1.00 0.00 H new ATOM 0 HD21 LEU A 103 120.674 -4.228 -3.895 1.00 0.00 H new ATOM 0 HD22 LEU A 103 119.981 -3.489 -5.358 1.00 0.00 H new ATOM 0 HD23 LEU A 103 119.114 -4.804 -4.530 1.00 0.00 H new ATOM 1631 N PRO A 104 121.009 -3.146 -9.524 1.00 0.00 N ATOM 1632 CA PRO A 104 121.869 -2.886 -10.672 1.00 0.00 C ATOM 1633 C PRO A 104 123.297 -2.483 -10.302 1.00 0.00 C ATOM 1634 O PRO A 104 123.817 -1.452 -10.767 1.00 0.00 O ATOM 1635 CB PRO A 104 121.138 -1.734 -11.363 1.00 0.00 C ATOM 1636 CG PRO A 104 120.438 -0.986 -10.259 1.00 0.00 C ATOM 1637 CD PRO A 104 120.388 -1.900 -9.052 1.00 0.00 C ATOM 0 HA PRO A 104 122.011 -3.776 -11.285 1.00 0.00 H new ATOM 0 HB2 PRO A 104 121.837 -1.088 -11.894 1.00 0.00 H new ATOM 0 HB3 PRO A 104 120.425 -2.106 -12.099 1.00 0.00 H new ATOM 0 HG2 PRO A 104 120.971 -0.065 -10.021 1.00 0.00 H new ATOM 0 HG3 PRO A 104 119.432 -0.701 -10.567 1.00 0.00 H new ATOM 0 HD2 PRO A 104 120.933 -1.477 -8.208 1.00 0.00 H new ATOM 0 HD3 PRO A 104 119.363 -2.066 -8.719 1.00 0.00 H new ATOM 1645 N PHE A 105 123.901 -3.275 -9.456 1.00 0.00 N ATOM 1646 CA PHE A 105 125.273 -3.107 -9.027 1.00 0.00 C ATOM 1647 C PHE A 105 125.624 -4.308 -8.205 1.00 0.00 C ATOM 1648 O PHE A 105 124.737 -5.052 -7.799 1.00 0.00 O ATOM 1649 CB PHE A 105 125.476 -1.805 -8.195 1.00 0.00 C ATOM 1650 CG PHE A 105 124.678 -1.722 -6.917 1.00 0.00 C ATOM 1651 CD1 PHE A 105 123.406 -1.187 -6.919 1.00 0.00 C ATOM 1652 CD2 PHE A 105 125.207 -2.174 -5.717 1.00 0.00 C ATOM 1653 CE1 PHE A 105 122.677 -1.106 -5.759 1.00 0.00 C ATOM 1654 CE2 PHE A 105 124.481 -2.095 -4.555 1.00 0.00 C ATOM 1655 CZ PHE A 105 123.215 -1.559 -4.577 1.00 0.00 C ATOM 0 H PHE A 105 123.442 -4.081 -9.031 1.00 0.00 H new ATOM 0 HA PHE A 105 125.920 -3.015 -9.899 1.00 0.00 H new ATOM 0 HB2 PHE A 105 126.534 -1.712 -7.949 1.00 0.00 H new ATOM 0 HB3 PHE A 105 125.218 -0.950 -8.821 1.00 0.00 H new ATOM 0 HD1 PHE A 105 122.979 -0.828 -7.844 1.00 0.00 H new ATOM 0 HD2 PHE A 105 126.202 -2.593 -5.697 1.00 0.00 H new ATOM 0 HE1 PHE A 105 121.682 -0.687 -5.774 1.00 0.00 H new ATOM 0 HE2 PHE A 105 124.902 -2.452 -3.627 1.00 0.00 H new ATOM 0 HZ PHE A 105 122.642 -1.494 -3.664 1.00 0.00 H new ATOM 1665 N ASP A 106 126.881 -4.522 -7.981 1.00 0.00 N ATOM 1666 CA ASP A 106 127.310 -5.611 -7.145 1.00 0.00 C ATOM 1667 C ASP A 106 127.604 -5.052 -5.808 1.00 0.00 C ATOM 1668 O ASP A 106 128.327 -4.057 -5.705 1.00 0.00 O ATOM 1669 CB ASP A 106 128.582 -6.255 -7.634 1.00 0.00 C ATOM 1670 CG ASP A 106 128.485 -6.899 -8.998 1.00 0.00 C ATOM 1671 OD1 ASP A 106 128.497 -6.181 -10.027 1.00 0.00 O ATOM 1672 OD2 ASP A 106 128.401 -8.134 -9.068 1.00 0.00 O ATOM 0 H ASP A 106 127.637 -3.956 -8.366 1.00 0.00 H new ATOM 0 HA ASP A 106 126.520 -6.362 -7.143 1.00 0.00 H new ATOM 0 HB2 ASP A 106 129.368 -5.500 -7.660 1.00 0.00 H new ATOM 0 HB3 ASP A 106 128.890 -7.011 -6.912 1.00 0.00 H new ATOM 1677 N PRO A 107 127.113 -5.671 -4.749 1.00 0.00 N ATOM 1678 CA PRO A 107 127.323 -5.208 -3.394 1.00 0.00 C ATOM 1679 C PRO A 107 128.549 -5.907 -2.839 1.00 0.00 C ATOM 1680 O PRO A 107 128.971 -5.698 -1.711 1.00 0.00 O ATOM 1681 CB PRO A 107 126.026 -5.705 -2.698 1.00 0.00 C ATOM 1682 CG PRO A 107 125.260 -6.393 -3.805 1.00 0.00 C ATOM 1683 CD PRO A 107 126.304 -6.876 -4.708 1.00 0.00 C ATOM 0 HA PRO A 107 127.490 -4.137 -3.275 1.00 0.00 H new ATOM 0 HB2 PRO A 107 126.249 -6.391 -1.881 1.00 0.00 H new ATOM 0 HB3 PRO A 107 125.458 -4.877 -2.274 1.00 0.00 H new ATOM 0 HG2 PRO A 107 124.653 -7.213 -3.421 1.00 0.00 H new ATOM 0 HG3 PRO A 107 124.582 -5.704 -4.310 1.00 0.00 H new ATOM 0 HD2 PRO A 107 126.843 -7.737 -4.312 1.00 0.00 H new ATOM 0 HD3 PRO A 107 125.920 -7.163 -5.687 1.00 0.00 H new ATOM 1691 N ASP A 108 129.111 -6.734 -3.708 1.00 0.00 N ATOM 1692 CA ASP A 108 130.259 -7.529 -3.447 1.00 0.00 C ATOM 1693 C ASP A 108 131.477 -6.630 -3.375 1.00 0.00 C ATOM 1694 O ASP A 108 132.464 -6.912 -2.690 1.00 0.00 O ATOM 1695 CB ASP A 108 130.430 -8.560 -4.562 1.00 0.00 C ATOM 1696 CG ASP A 108 131.644 -9.439 -4.382 1.00 0.00 C ATOM 1697 OD1 ASP A 108 131.604 -10.353 -3.545 1.00 0.00 O ATOM 1698 OD2 ASP A 108 132.640 -9.262 -5.109 1.00 0.00 O ATOM 0 H ASP A 108 128.748 -6.861 -4.653 1.00 0.00 H new ATOM 0 HA ASP A 108 130.141 -8.053 -2.498 1.00 0.00 H new ATOM 0 HB2 ASP A 108 129.540 -9.187 -4.607 1.00 0.00 H new ATOM 0 HB3 ASP A 108 130.504 -8.042 -5.518 1.00 0.00 H new ATOM 1703 N ASP A 109 131.372 -5.535 -4.080 1.00 0.00 N ATOM 1704 CA ASP A 109 132.392 -4.519 -4.138 1.00 0.00 C ATOM 1705 C ASP A 109 132.185 -3.629 -2.918 1.00 0.00 C ATOM 1706 O ASP A 109 131.033 -3.269 -2.618 1.00 0.00 O ATOM 1707 CB ASP A 109 132.195 -3.695 -5.419 1.00 0.00 C ATOM 1708 CG ASP A 109 133.362 -2.776 -5.723 1.00 0.00 C ATOM 1709 OD1 ASP A 109 133.460 -1.689 -5.146 1.00 0.00 O ATOM 1710 OD2 ASP A 109 134.201 -3.136 -6.570 1.00 0.00 O ATOM 0 H ASP A 109 130.552 -5.318 -4.646 1.00 0.00 H new ATOM 0 HA ASP A 109 133.394 -4.947 -4.145 1.00 0.00 H new ATOM 0 HB2 ASP A 109 132.046 -4.372 -6.260 1.00 0.00 H new ATOM 0 HB3 ASP A 109 131.287 -3.100 -5.324 1.00 0.00 H new ATOM 1715 N PRO A 110 133.262 -3.344 -2.149 1.00 0.00 N ATOM 1716 CA PRO A 110 133.202 -2.494 -0.941 1.00 0.00 C ATOM 1717 C PRO A 110 132.749 -1.056 -1.189 1.00 0.00 C ATOM 1718 O PRO A 110 132.264 -0.702 -2.267 1.00 0.00 O ATOM 1719 CB PRO A 110 134.651 -2.466 -0.459 1.00 0.00 C ATOM 1720 CG PRO A 110 135.241 -3.712 -0.992 1.00 0.00 C ATOM 1721 CD PRO A 110 134.629 -3.868 -2.354 1.00 0.00 C ATOM 0 HA PRO A 110 132.471 -2.899 -0.241 1.00 0.00 H new ATOM 0 HB2 PRO A 110 135.177 -1.587 -0.831 1.00 0.00 H new ATOM 0 HB3 PRO A 110 134.707 -2.434 0.629 1.00 0.00 H new ATOM 0 HG2 PRO A 110 136.327 -3.643 -1.051 1.00 0.00 H new ATOM 0 HG3 PRO A 110 135.010 -4.565 -0.354 1.00 0.00 H new ATOM 0 HD2 PRO A 110 135.172 -3.302 -3.111 1.00 0.00 H new ATOM 0 HD3 PRO A 110 134.621 -4.908 -2.679 1.00 0.00 H new ATOM 1729 N ASN A 111 132.974 -0.241 -0.168 1.00 0.00 N ATOM 1730 CA ASN A 111 132.628 1.128 -0.066 1.00 0.00 C ATOM 1731 C ASN A 111 131.256 1.283 0.495 1.00 0.00 C ATOM 1732 O ASN A 111 130.320 0.567 0.124 1.00 0.00 O ATOM 1733 CB ASN A 111 132.810 1.985 -1.325 1.00 0.00 C ATOM 1734 CG ASN A 111 134.239 2.104 -1.856 1.00 0.00 C ATOM 1735 OD1 ASN A 111 134.450 2.286 -3.059 1.00 0.00 O ATOM 1736 ND2 ASN A 111 135.222 2.013 -1.006 1.00 0.00 N ATOM 0 H ASN A 111 133.446 -0.573 0.673 1.00 0.00 H new ATOM 0 HA ASN A 111 133.370 1.533 0.622 1.00 0.00 H new ATOM 0 HB2 ASN A 111 132.184 1.571 -2.115 1.00 0.00 H new ATOM 0 HB3 ASN A 111 132.437 2.988 -1.115 1.00 0.00 H new ATOM 0 HD21 ASN A 111 136.186 2.092 -1.330 1.00 0.00 H new ATOM 0 HD22 ASN A 111 135.028 1.863 -0.016 1.00 0.00 H new ATOM 1743 N THR A 112 131.182 2.140 1.459 1.00 0.00 N ATOM 1744 CA THR A 112 129.958 2.580 2.098 1.00 0.00 C ATOM 1745 C THR A 112 129.127 3.410 1.074 1.00 0.00 C ATOM 1746 O THR A 112 128.921 2.970 -0.052 1.00 0.00 O ATOM 1747 CB THR A 112 130.385 3.417 3.325 1.00 0.00 C ATOM 1748 OG1 THR A 112 131.479 2.717 3.944 1.00 0.00 O ATOM 1749 CG2 THR A 112 129.267 3.519 4.359 1.00 0.00 C ATOM 0 H THR A 112 132.012 2.584 1.853 1.00 0.00 H new ATOM 0 HA THR A 112 129.327 1.753 2.424 1.00 0.00 H new ATOM 0 HB THR A 112 130.645 4.423 2.997 1.00 0.00 H new ATOM 0 HG1 THR A 112 131.784 3.216 4.730 1.00 0.00 H new ATOM 0 HG21 THR A 112 129.608 4.115 5.206 1.00 0.00 H new ATOM 0 HG22 THR A 112 128.396 3.994 3.908 1.00 0.00 H new ATOM 0 HG23 THR A 112 128.998 2.521 4.703 1.00 0.00 H new ATOM 1757 N SER A 113 128.614 4.532 1.445 1.00 0.00 N ATOM 1758 CA SER A 113 127.913 5.343 0.504 1.00 0.00 C ATOM 1759 C SER A 113 128.924 5.991 -0.462 1.00 0.00 C ATOM 1760 O SER A 113 129.567 6.994 -0.141 1.00 0.00 O ATOM 1761 CB SER A 113 127.159 6.404 1.284 1.00 0.00 C ATOM 1762 OG SER A 113 126.497 5.822 2.412 1.00 0.00 O ATOM 0 H SER A 113 128.665 4.911 2.391 1.00 0.00 H new ATOM 0 HA SER A 113 127.213 4.750 -0.085 1.00 0.00 H new ATOM 0 HB2 SER A 113 127.850 7.177 1.620 1.00 0.00 H new ATOM 0 HB3 SER A 113 126.428 6.889 0.637 1.00 0.00 H new ATOM 0 HG SER A 113 125.731 6.379 2.665 1.00 0.00 H new ATOM 1768 N LEU A 114 129.056 5.399 -1.628 1.00 0.00 N ATOM 1769 CA LEU A 114 129.875 5.916 -2.657 1.00 0.00 C ATOM 1770 C LEU A 114 129.049 6.778 -3.586 1.00 0.00 C ATOM 1771 O LEU A 114 127.951 6.391 -3.989 1.00 0.00 O ATOM 1772 CB LEU A 114 130.653 4.773 -3.395 1.00 0.00 C ATOM 1773 CG LEU A 114 129.896 3.560 -4.080 1.00 0.00 C ATOM 1774 CD1 LEU A 114 129.042 2.720 -3.153 1.00 0.00 C ATOM 1775 CD2 LEU A 114 129.129 3.947 -5.326 1.00 0.00 C ATOM 0 H LEU A 114 128.581 4.530 -1.874 1.00 0.00 H new ATOM 0 HA LEU A 114 130.642 6.557 -2.222 1.00 0.00 H new ATOM 0 HB2 LEU A 114 131.254 5.249 -4.170 1.00 0.00 H new ATOM 0 HB3 LEU A 114 131.347 4.345 -2.672 1.00 0.00 H new ATOM 0 HG LEU A 114 130.718 2.914 -4.386 1.00 0.00 H new ATOM 0 HD11 LEU A 114 128.569 1.919 -3.721 1.00 0.00 H new ATOM 0 HD12 LEU A 114 129.668 2.290 -2.371 1.00 0.00 H new ATOM 0 HD13 LEU A 114 128.274 3.346 -2.699 1.00 0.00 H new ATOM 0 HD21 LEU A 114 128.637 3.066 -5.739 1.00 0.00 H new ATOM 0 HD22 LEU A 114 128.379 4.696 -5.073 1.00 0.00 H new ATOM 0 HD23 LEU A 114 129.818 4.358 -6.064 1.00 0.00 H new ATOM 1787 N VAL A 115 129.548 7.930 -3.899 1.00 0.00 N ATOM 1788 CA VAL A 115 128.821 8.867 -4.717 1.00 0.00 C ATOM 1789 C VAL A 115 129.184 8.674 -6.159 1.00 0.00 C ATOM 1790 O VAL A 115 130.350 8.572 -6.505 1.00 0.00 O ATOM 1791 CB VAL A 115 129.120 10.344 -4.326 1.00 0.00 C ATOM 1792 CG1 VAL A 115 128.306 11.323 -5.189 1.00 0.00 C ATOM 1793 CG2 VAL A 115 128.839 10.576 -2.852 1.00 0.00 C ATOM 0 H VAL A 115 130.468 8.254 -3.600 1.00 0.00 H new ATOM 0 HA VAL A 115 127.760 8.675 -4.556 1.00 0.00 H new ATOM 0 HB VAL A 115 130.178 10.530 -4.511 1.00 0.00 H new ATOM 0 HG11 VAL A 115 128.536 12.347 -4.893 1.00 0.00 H new ATOM 0 HG12 VAL A 115 128.563 11.183 -6.239 1.00 0.00 H new ATOM 0 HG13 VAL A 115 127.242 11.135 -5.047 1.00 0.00 H new ATOM 0 HG21 VAL A 115 129.054 11.614 -2.600 1.00 0.00 H new ATOM 0 HG22 VAL A 115 127.791 10.362 -2.643 1.00 0.00 H new ATOM 0 HG23 VAL A 115 129.470 9.919 -2.254 1.00 0.00 H new ATOM 1803 N THR A 116 128.204 8.593 -6.983 1.00 0.00 N ATOM 1804 CA THR A 116 128.420 8.526 -8.375 1.00 0.00 C ATOM 1805 C THR A 116 127.450 9.509 -9.007 1.00 0.00 C ATOM 1806 O THR A 116 126.345 9.734 -8.475 1.00 0.00 O ATOM 1807 CB THR A 116 128.239 7.075 -8.934 1.00 0.00 C ATOM 1808 OG1 THR A 116 128.633 7.017 -10.315 1.00 0.00 O ATOM 1809 CG2 THR A 116 126.798 6.611 -8.813 1.00 0.00 C ATOM 0 H THR A 116 127.223 8.571 -6.705 1.00 0.00 H new ATOM 0 HA THR A 116 129.450 8.789 -8.618 1.00 0.00 H new ATOM 0 HB THR A 116 128.873 6.416 -8.340 1.00 0.00 H new ATOM 0 HG1 THR A 116 128.516 6.104 -10.650 1.00 0.00 H new ATOM 0 HG21 THR A 116 126.707 5.600 -9.210 1.00 0.00 H new ATOM 0 HG22 THR A 116 126.501 6.617 -7.764 1.00 0.00 H new ATOM 0 HG23 THR A 116 126.151 7.282 -9.378 1.00 0.00 H new ATOM 1817 N SER A 117 127.855 10.116 -10.062 1.00 0.00 N ATOM 1818 CA SER A 117 127.058 11.107 -10.702 1.00 0.00 C ATOM 1819 C SER A 117 126.321 10.456 -11.843 1.00 0.00 C ATOM 1820 O SER A 117 126.937 9.859 -12.726 1.00 0.00 O ATOM 1821 CB SER A 117 127.934 12.272 -11.201 1.00 0.00 C ATOM 1822 OG SER A 117 127.154 13.322 -11.769 1.00 0.00 O ATOM 0 H SER A 117 128.754 9.941 -10.512 1.00 0.00 H new ATOM 0 HA SER A 117 126.342 11.524 -9.994 1.00 0.00 H new ATOM 0 HB2 SER A 117 128.521 12.665 -10.371 1.00 0.00 H new ATOM 0 HB3 SER A 117 128.640 11.902 -11.944 1.00 0.00 H new ATOM 0 HG SER A 117 127.688 14.143 -11.807 1.00 0.00 H new ATOM 1828 N VAL A 118 125.026 10.529 -11.804 1.00 0.00 N ATOM 1829 CA VAL A 118 124.220 9.927 -12.815 1.00 0.00 C ATOM 1830 C VAL A 118 123.697 11.008 -13.728 1.00 0.00 C ATOM 1831 O VAL A 118 122.811 11.776 -13.358 1.00 0.00 O ATOM 1832 CB VAL A 118 123.050 9.115 -12.201 1.00 0.00 C ATOM 1833 CG1 VAL A 118 122.234 8.412 -13.285 1.00 0.00 C ATOM 1834 CG2 VAL A 118 123.593 8.105 -11.197 1.00 0.00 C ATOM 0 H VAL A 118 124.501 11.007 -11.071 1.00 0.00 H new ATOM 0 HA VAL A 118 124.831 9.226 -13.384 1.00 0.00 H new ATOM 0 HB VAL A 118 122.384 9.807 -11.685 1.00 0.00 H new ATOM 0 HG11 VAL A 118 121.422 7.851 -12.823 1.00 0.00 H new ATOM 0 HG12 VAL A 118 121.820 9.154 -13.968 1.00 0.00 H new ATOM 0 HG13 VAL A 118 122.877 7.728 -13.839 1.00 0.00 H new ATOM 0 HG21 VAL A 118 122.767 7.537 -10.769 1.00 0.00 H new ATOM 0 HG22 VAL A 118 124.279 7.424 -11.701 1.00 0.00 H new ATOM 0 HG23 VAL A 118 124.122 8.631 -10.402 1.00 0.00 H new ATOM 1844 N ALA A 119 124.286 11.104 -14.878 1.00 0.00 N ATOM 1845 CA ALA A 119 123.891 12.062 -15.855 1.00 0.00 C ATOM 1846 C ALA A 119 123.720 11.367 -17.187 1.00 0.00 C ATOM 1847 O ALA A 119 124.559 11.470 -18.082 1.00 0.00 O ATOM 1848 CB ALA A 119 124.902 13.199 -15.940 1.00 0.00 C ATOM 0 H ALA A 119 125.064 10.511 -15.166 1.00 0.00 H new ATOM 0 HA ALA A 119 122.938 12.506 -15.567 1.00 0.00 H new ATOM 0 HB1 ALA A 119 124.579 13.918 -16.693 1.00 0.00 H new ATOM 0 HB2 ALA A 119 124.974 13.695 -14.972 1.00 0.00 H new ATOM 0 HB3 ALA A 119 125.877 12.799 -16.216 1.00 0.00 H new ATOM 1854 N ILE A 120 122.642 10.637 -17.291 1.00 0.00 N ATOM 1855 CA ILE A 120 122.310 9.898 -18.492 1.00 0.00 C ATOM 1856 C ILE A 120 121.608 10.863 -19.440 1.00 0.00 C ATOM 1857 O ILE A 120 121.988 11.039 -20.591 1.00 0.00 O ATOM 1858 CB ILE A 120 121.397 8.685 -18.132 1.00 0.00 C ATOM 1859 CG1 ILE A 120 122.107 7.745 -17.134 1.00 0.00 C ATOM 1860 CG2 ILE A 120 120.913 7.925 -19.354 1.00 0.00 C ATOM 1861 CD1 ILE A 120 123.460 7.232 -17.598 1.00 0.00 C ATOM 0 H ILE A 120 121.959 10.534 -16.540 1.00 0.00 H new ATOM 0 HA ILE A 120 123.204 9.498 -18.971 1.00 0.00 H new ATOM 0 HB ILE A 120 120.506 9.092 -17.654 1.00 0.00 H new ATOM 0 HG12 ILE A 120 122.238 8.273 -16.189 1.00 0.00 H new ATOM 0 HG13 ILE A 120 121.459 6.892 -16.935 1.00 0.00 H new ATOM 0 HG21 ILE A 120 120.283 7.093 -19.039 1.00 0.00 H new ATOM 0 HG22 ILE A 120 120.338 8.594 -19.994 1.00 0.00 H new ATOM 0 HG23 ILE A 120 121.770 7.541 -19.907 1.00 0.00 H new ATOM 0 HD11 ILE A 120 123.884 6.580 -16.834 1.00 0.00 H new ATOM 0 HD12 ILE A 120 123.338 6.673 -18.526 1.00 0.00 H new ATOM 0 HD13 ILE A 120 124.130 8.075 -17.768 1.00 0.00 H new ATOM 1873 N LEU A 121 120.564 11.434 -18.915 1.00 0.00 N ATOM 1874 CA LEU A 121 119.846 12.614 -19.430 1.00 0.00 C ATOM 1875 C LEU A 121 119.022 12.455 -20.674 1.00 0.00 C ATOM 1876 O LEU A 121 117.817 12.723 -20.651 1.00 0.00 O ATOM 1877 CB LEU A 121 120.661 13.950 -19.329 1.00 0.00 C ATOM 1878 CG LEU A 121 122.016 14.091 -20.078 1.00 0.00 C ATOM 1879 CD1 LEU A 121 121.837 14.337 -21.570 1.00 0.00 C ATOM 1880 CD2 LEU A 121 122.864 15.187 -19.449 1.00 0.00 C ATOM 0 H LEU A 121 120.145 11.080 -18.055 1.00 0.00 H new ATOM 0 HA LEU A 121 119.042 12.710 -18.700 1.00 0.00 H new ATOM 0 HB2 LEU A 121 120.012 14.753 -19.678 1.00 0.00 H new ATOM 0 HB3 LEU A 121 120.854 14.133 -18.272 1.00 0.00 H new ATOM 0 HG LEU A 121 122.536 13.139 -19.976 1.00 0.00 H new ATOM 0 HD11 LEU A 121 122.815 14.428 -22.044 1.00 0.00 H new ATOM 0 HD12 LEU A 121 121.295 13.502 -22.014 1.00 0.00 H new ATOM 0 HD13 LEU A 121 121.273 15.258 -21.722 1.00 0.00 H new ATOM 0 HD21 LEU A 121 123.808 15.270 -19.987 1.00 0.00 H new ATOM 0 HD22 LEU A 121 122.331 16.136 -19.503 1.00 0.00 H new ATOM 0 HD23 LEU A 121 123.061 14.941 -18.406 1.00 0.00 H new ATOM 1892 N ASP A 122 119.626 12.019 -21.698 1.00 0.00 N ATOM 1893 CA ASP A 122 118.986 11.873 -23.000 1.00 0.00 C ATOM 1894 C ASP A 122 119.974 11.207 -23.914 1.00 0.00 C ATOM 1895 O ASP A 122 121.123 11.624 -23.978 1.00 0.00 O ATOM 1896 CB ASP A 122 118.601 13.255 -23.577 1.00 0.00 C ATOM 1897 CG ASP A 122 117.694 13.167 -24.781 1.00 0.00 C ATOM 1898 OD1 ASP A 122 116.457 13.059 -24.596 1.00 0.00 O ATOM 1899 OD2 ASP A 122 118.169 13.222 -25.921 1.00 0.00 O ATOM 0 H ASP A 122 120.606 11.737 -21.689 1.00 0.00 H new ATOM 0 HA ASP A 122 118.075 11.282 -22.905 1.00 0.00 H new ATOM 0 HB2 ASP A 122 118.108 13.841 -22.801 1.00 0.00 H new ATOM 0 HB3 ASP A 122 119.509 13.792 -23.853 1.00 0.00 H new ATOM 1904 N LYS A 123 119.570 10.160 -24.571 1.00 0.00 N ATOM 1905 CA LYS A 123 120.456 9.427 -25.458 1.00 0.00 C ATOM 1906 C LYS A 123 119.925 9.420 -26.879 1.00 0.00 C ATOM 1907 O LYS A 123 119.139 8.545 -27.268 1.00 0.00 O ATOM 1908 CB LYS A 123 120.708 7.993 -24.955 1.00 0.00 C ATOM 1909 CG LYS A 123 121.939 7.793 -24.053 1.00 0.00 C ATOM 1910 CD LYS A 123 121.936 8.639 -22.790 1.00 0.00 C ATOM 1911 CE LYS A 123 123.170 8.359 -21.933 1.00 0.00 C ATOM 1912 NZ LYS A 123 124.446 8.636 -22.631 1.00 0.00 N ATOM 0 H LYS A 123 118.624 9.783 -24.515 1.00 0.00 H new ATOM 0 HA LYS A 123 121.415 9.946 -25.459 1.00 0.00 H new ATOM 0 HB2 LYS A 123 119.825 7.663 -24.407 1.00 0.00 H new ATOM 0 HB3 LYS A 123 120.809 7.339 -25.821 1.00 0.00 H new ATOM 0 HG2 LYS A 123 122.001 6.742 -23.771 1.00 0.00 H new ATOM 0 HG3 LYS A 123 122.836 8.023 -24.627 1.00 0.00 H new ATOM 0 HD2 LYS A 123 121.908 9.695 -23.057 1.00 0.00 H new ATOM 0 HD3 LYS A 123 121.035 8.432 -22.213 1.00 0.00 H new ATOM 0 HE2 LYS A 123 123.120 8.965 -21.029 1.00 0.00 H new ATOM 0 HE3 LYS A 123 123.156 7.315 -21.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 125.233 8.574 -21.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 124.586 7.938 -23.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 124.417 9.591 -23.041 1.00 0.00 H new ATOM 1926 N GLU A 124 120.339 10.395 -27.626 1.00 0.00 N ATOM 1927 CA GLU A 124 119.950 10.559 -29.007 1.00 0.00 C ATOM 1928 C GLU A 124 121.010 9.996 -29.952 1.00 0.00 C ATOM 1929 O GLU A 124 122.202 10.078 -29.663 1.00 0.00 O ATOM 1930 CB GLU A 124 119.617 12.041 -29.322 1.00 0.00 C ATOM 1931 CG GLU A 124 120.322 13.092 -28.446 1.00 0.00 C ATOM 1932 CD GLU A 124 121.827 13.053 -28.472 1.00 0.00 C ATOM 1933 OE1 GLU A 124 122.428 12.305 -27.684 1.00 0.00 O ATOM 1934 OE2 GLU A 124 122.443 13.825 -29.233 1.00 0.00 O ATOM 0 H GLU A 124 120.973 11.121 -27.292 1.00 0.00 H new ATOM 0 HA GLU A 124 119.039 9.983 -29.171 1.00 0.00 H new ATOM 0 HB2 GLU A 124 119.871 12.236 -30.364 1.00 0.00 H new ATOM 0 HB3 GLU A 124 118.540 12.179 -29.225 1.00 0.00 H new ATOM 0 HG2 GLU A 124 119.996 14.082 -28.764 1.00 0.00 H new ATOM 0 HG3 GLU A 124 119.990 12.963 -27.416 1.00 0.00 H new ATOM 1941 N PRO A 125 120.594 9.375 -31.066 1.00 0.00 N ATOM 1942 CA PRO A 125 121.520 8.802 -32.032 1.00 0.00 C ATOM 1943 C PRO A 125 122.243 9.878 -32.865 1.00 0.00 C ATOM 1944 O PRO A 125 123.408 9.665 -33.218 1.00 0.00 O ATOM 1945 CB PRO A 125 120.629 7.939 -32.923 1.00 0.00 C ATOM 1946 CG PRO A 125 119.280 8.560 -32.833 1.00 0.00 C ATOM 1947 CD PRO A 125 119.181 9.156 -31.458 1.00 0.00 C ATOM 1948 OXT PRO A 125 121.642 10.931 -33.145 1.00 0.00 O ATOM 0 HA PRO A 125 122.317 8.242 -31.543 1.00 0.00 H new ATOM 0 HB2 PRO A 125 120.991 7.928 -33.951 1.00 0.00 H new ATOM 0 HB3 PRO A 125 120.611 6.904 -32.580 1.00 0.00 H new ATOM 0 HG2 PRO A 125 119.152 9.325 -33.599 1.00 0.00 H new ATOM 0 HG3 PRO A 125 118.499 7.817 -32.992 1.00 0.00 H new ATOM 0 HD2 PRO A 125 118.619 10.090 -31.466 1.00 0.00 H new ATOM 0 HD3 PRO A 125 118.673 8.484 -30.766 1.00 0.00 H new TER 1956 PRO A 125 ATOM 1957 N ARG B 151 117.394 7.895 -5.218 1.00 0.00 N ATOM 1958 CA ARG B 151 116.244 7.438 -6.019 1.00 0.00 C ATOM 1959 C ARG B 151 116.548 6.168 -6.837 1.00 0.00 C ATOM 1960 O ARG B 151 115.676 5.705 -7.571 1.00 0.00 O ATOM 1961 CB ARG B 151 115.722 8.541 -6.982 1.00 0.00 C ATOM 1962 CG ARG B 151 116.763 9.092 -7.962 1.00 0.00 C ATOM 1963 CD ARG B 151 117.627 10.166 -7.320 1.00 0.00 C ATOM 1964 NE ARG B 151 118.872 10.374 -8.042 1.00 0.00 N ATOM 1965 CZ ARG B 151 119.712 11.390 -7.837 1.00 0.00 C ATOM 1966 NH1 ARG B 151 119.353 12.421 -7.092 1.00 0.00 N ATOM 1967 NH2 ARG B 151 120.898 11.379 -8.409 1.00 0.00 N ATOM 0 HA ARG B 151 115.471 7.203 -5.288 1.00 0.00 H new ATOM 0 HB2 ARG B 151 114.886 8.137 -7.553 1.00 0.00 H new ATOM 0 HB3 ARG B 151 115.333 9.367 -6.387 1.00 0.00 H new ATOM 0 HG2 ARG B 151 117.397 8.278 -8.315 1.00 0.00 H new ATOM 0 HG3 ARG B 151 116.258 9.505 -8.835 1.00 0.00 H new ATOM 0 HD2 ARG B 151 117.071 11.102 -7.281 1.00 0.00 H new ATOM 0 HD3 ARG B 151 117.849 9.884 -6.291 1.00 0.00 H new ATOM 0 HE ARG B 151 119.122 9.692 -8.759 1.00 0.00 H new ATOM 0 HH11 ARG B 151 118.426 12.445 -6.667 1.00 0.00 H new ATOM 0 HH12 ARG B 151 120.003 13.193 -6.942 1.00 0.00 H new ATOM 0 HH21 ARG B 151 121.170 10.597 -9.005 1.00 0.00 H new ATOM 0 HH22 ARG B 151 121.545 12.153 -8.256 1.00 0.00 H new ATOM 1983 N SER B 152 117.752 5.591 -6.715 1.00 0.00 N ATOM 1984 CA SER B 152 118.105 4.444 -7.560 1.00 0.00 C ATOM 1985 C SER B 152 119.304 3.653 -7.018 1.00 0.00 C ATOM 1986 O SER B 152 120.068 3.070 -7.791 1.00 0.00 O ATOM 1987 CB SER B 152 118.357 4.931 -9.009 1.00 0.00 C ATOM 1988 OG SER B 152 119.205 6.090 -9.025 1.00 0.00 O ATOM 0 H SER B 152 118.476 5.888 -6.061 1.00 0.00 H new ATOM 0 HA SER B 152 117.265 3.750 -7.552 1.00 0.00 H new ATOM 0 HB2 SER B 152 118.817 4.132 -9.590 1.00 0.00 H new ATOM 0 HB3 SER B 152 117.406 5.166 -9.488 1.00 0.00 H new ATOM 0 HG SER B 152 119.480 6.281 -9.946 1.00 0.00 H new ATOM 1994 N SER B 153 119.465 3.661 -5.697 1.00 0.00 N ATOM 1995 CA SER B 153 120.555 2.964 -5.016 1.00 0.00 C ATOM 1996 C SER B 153 121.948 3.412 -5.513 1.00 0.00 C ATOM 1997 O SER B 153 122.869 2.603 -5.716 1.00 0.00 O ATOM 1998 CB SER B 153 120.370 1.449 -5.096 1.00 0.00 C ATOM 1999 OG SER B 153 119.163 1.068 -4.462 1.00 0.00 O ATOM 0 H SER B 153 118.837 4.156 -5.063 1.00 0.00 H new ATOM 0 HA SER B 153 120.511 3.245 -3.964 1.00 0.00 H new ATOM 0 HB2 SER B 153 120.357 1.132 -6.139 1.00 0.00 H new ATOM 0 HB3 SER B 153 121.213 0.947 -4.621 1.00 0.00 H new ATOM 0 HG SER B 153 119.250 1.189 -3.493 1.00 0.00 H new ATOM 2005 N ARG B 154 122.093 4.704 -5.675 1.00 0.00 N ATOM 2006 CA ARG B 154 123.336 5.310 -6.092 1.00 0.00 C ATOM 2007 C ARG B 154 123.666 6.281 -5.000 1.00 0.00 C ATOM 2008 O ARG B 154 122.816 7.102 -4.659 1.00 0.00 O ATOM 2009 CB ARG B 154 123.191 6.042 -7.440 1.00 0.00 C ATOM 2010 CG ARG B 154 122.605 5.197 -8.577 1.00 0.00 C ATOM 2011 CD ARG B 154 123.428 3.944 -8.871 1.00 0.00 C ATOM 2012 NE ARG B 154 122.852 3.178 -9.987 1.00 0.00 N ATOM 2013 CZ ARG B 154 123.298 1.997 -10.447 1.00 0.00 C ATOM 2014 NH1 ARG B 154 124.298 1.354 -9.840 1.00 0.00 N ATOM 2015 NH2 ARG B 154 122.736 1.464 -11.523 1.00 0.00 N ATOM 0 H ARG B 154 121.341 5.375 -5.519 1.00 0.00 H new ATOM 0 HA ARG B 154 124.115 4.563 -6.244 1.00 0.00 H new ATOM 0 HB2 ARG B 154 122.558 6.917 -7.295 1.00 0.00 H new ATOM 0 HB3 ARG B 154 124.172 6.406 -7.746 1.00 0.00 H new ATOM 0 HG2 ARG B 154 121.587 4.905 -8.318 1.00 0.00 H new ATOM 0 HG3 ARG B 154 122.543 5.805 -9.480 1.00 0.00 H new ATOM 0 HD2 ARG B 154 124.453 4.227 -9.112 1.00 0.00 H new ATOM 0 HD3 ARG B 154 123.471 3.317 -7.980 1.00 0.00 H new ATOM 0 HE ARG B 154 122.040 3.580 -10.454 1.00 0.00 H new ATOM 0 HH11 ARG B 154 124.737 1.758 -9.013 1.00 0.00 H new ATOM 0 HH12 ARG B 154 124.623 0.458 -10.203 1.00 0.00 H new ATOM 0 HH21 ARG B 154 121.973 1.950 -11.993 1.00 0.00 H new ATOM 0 HH22 ARG B 154 123.067 0.568 -11.880 1.00 0.00 H new ATOM 2029 N THR B 155 124.879 6.205 -4.464 1.00 0.00 N ATOM 2030 CA THR B 155 125.219 6.890 -3.222 1.00 0.00 C ATOM 2031 C THR B 155 124.414 6.177 -2.114 1.00 0.00 C ATOM 2032 O THR B 155 123.664 6.759 -1.346 1.00 0.00 O ATOM 2033 CB THR B 155 124.924 8.425 -3.289 1.00 0.00 C ATOM 2034 OG1 THR B 155 125.531 8.980 -4.493 1.00 0.00 O ATOM 2035 CG2 THR B 155 125.506 9.133 -2.078 1.00 0.00 C ATOM 0 H THR B 155 125.647 5.673 -4.873 1.00 0.00 H new ATOM 0 HA THR B 155 126.289 6.834 -3.021 1.00 0.00 H new ATOM 0 HB THR B 155 123.844 8.572 -3.305 1.00 0.00 H new ATOM 0 HG1 THR B 155 125.347 9.941 -4.539 1.00 0.00 H new ATOM 0 HG21 THR B 155 125.291 10.200 -2.142 1.00 0.00 H new ATOM 0 HG22 THR B 155 125.060 8.727 -1.170 1.00 0.00 H new ATOM 0 HG23 THR B 155 126.585 8.981 -2.052 1.00 0.00 H new ATOM 2043 N ARG B 156 124.589 4.859 -2.090 1.00 0.00 N ATOM 2044 CA ARG B 156 123.787 3.987 -1.256 1.00 0.00 C ATOM 2045 C ARG B 156 124.640 3.346 -0.167 1.00 0.00 C ATOM 2046 O ARG B 156 125.834 3.138 -0.359 1.00 0.00 O ATOM 2047 CB ARG B 156 123.126 2.873 -2.140 1.00 0.00 C ATOM 2048 CG ARG B 156 123.975 1.601 -2.430 1.00 0.00 C ATOM 2049 CD ARG B 156 125.319 1.871 -3.119 1.00 0.00 C ATOM 2050 NE ARG B 156 126.136 0.645 -3.208 1.00 0.00 N ATOM 2051 CZ ARG B 156 126.772 0.039 -2.162 1.00 0.00 C ATOM 2052 NH1 ARG B 156 126.835 0.627 -0.966 1.00 0.00 N ATOM 2053 NH2 ARG B 156 127.401 -1.111 -2.353 1.00 0.00 N ATOM 0 H ARG B 156 125.290 4.372 -2.648 1.00 0.00 H new ATOM 0 HA ARG B 156 123.009 4.582 -0.778 1.00 0.00 H new ATOM 0 HB2 ARG B 156 122.202 2.559 -1.654 1.00 0.00 H new ATOM 0 HB3 ARG B 156 122.848 3.319 -3.095 1.00 0.00 H new ATOM 0 HG2 ARG B 156 124.162 1.083 -1.489 1.00 0.00 H new ATOM 0 HG3 ARG B 156 123.391 0.926 -3.055 1.00 0.00 H new ATOM 0 HD2 ARG B 156 125.143 2.266 -4.120 1.00 0.00 H new ATOM 0 HD3 ARG B 156 125.866 2.635 -2.566 1.00 0.00 H new ATOM 0 HE ARG B 156 126.234 0.214 -4.127 1.00 0.00 H new ATOM 0 HH11 ARG B 156 126.405 1.541 -0.824 1.00 0.00 H new ATOM 0 HH12 ARG B 156 127.313 0.163 -0.194 1.00 0.00 H new ATOM 0 HH21 ARG B 156 127.409 -1.540 -3.278 1.00 0.00 H new ATOM 0 HH22 ARG B 156 127.877 -1.567 -1.575 1.00 0.00 H new ATOM 2067 N ARG B 157 124.033 3.021 0.938 1.00 0.00 N ATOM 2068 CA ARG B 157 124.718 2.318 2.017 1.00 0.00 C ATOM 2069 C ARG B 157 123.935 1.048 2.331 1.00 0.00 C ATOM 2070 O ARG B 157 122.827 0.883 1.821 1.00 0.00 O ATOM 2071 CB ARG B 157 124.817 3.253 3.254 1.00 0.00 C ATOM 2072 CG ARG B 157 123.483 3.818 3.751 1.00 0.00 C ATOM 2073 CD ARG B 157 122.656 2.772 4.456 1.00 0.00 C ATOM 2074 NE ARG B 157 121.264 3.134 4.574 1.00 0.00 N ATOM 2075 CZ ARG B 157 120.252 2.305 4.340 1.00 0.00 C ATOM 2076 NH1 ARG B 157 120.460 1.137 3.714 1.00 0.00 N ATOM 2077 NH2 ARG B 157 119.032 2.685 4.624 1.00 0.00 N ATOM 0 H ARG B 157 123.053 3.229 1.129 1.00 0.00 H new ATOM 0 HA ARG B 157 125.732 2.042 1.728 1.00 0.00 H new ATOM 0 HB2 ARG B 157 125.287 2.703 4.069 1.00 0.00 H new ATOM 0 HB3 ARG B 157 125.477 4.085 3.009 1.00 0.00 H new ATOM 0 HG2 ARG B 157 123.672 4.650 4.430 1.00 0.00 H new ATOM 0 HG3 ARG B 157 122.921 4.217 2.907 1.00 0.00 H new ATOM 0 HD2 ARG B 157 122.735 1.829 3.914 1.00 0.00 H new ATOM 0 HD3 ARG B 157 123.067 2.603 5.451 1.00 0.00 H new ATOM 0 HE ARG B 157 121.042 4.089 4.856 1.00 0.00 H new ATOM 0 HH11 ARG B 157 121.400 0.880 3.414 1.00 0.00 H new ATOM 0 HH12 ARG B 157 119.678 0.506 3.538 1.00 0.00 H new ATOM 0 HH21 ARG B 157 118.865 3.610 5.021 1.00 0.00 H new ATOM 0 HH22 ARG B 157 118.248 2.056 4.448 1.00 0.00 H new ATOM 2091 N GLU B 158 124.468 0.204 3.189 1.00 0.00 N ATOM 2092 CA GLU B 158 123.793 -1.009 3.625 1.00 0.00 C ATOM 2093 C GLU B 158 123.259 -0.859 5.047 1.00 0.00 C ATOM 2094 O GLU B 158 123.763 -0.067 5.837 1.00 0.00 O ATOM 2095 CB GLU B 158 124.710 -2.233 3.569 1.00 0.00 C ATOM 2096 CG GLU B 158 125.057 -2.715 2.178 1.00 0.00 C ATOM 2097 CD GLU B 158 125.891 -3.974 2.217 1.00 0.00 C ATOM 2098 OE1 GLU B 158 125.358 -5.048 2.570 1.00 0.00 O ATOM 2099 OE2 GLU B 158 127.085 -3.918 1.884 1.00 0.00 O ATOM 0 H GLU B 158 125.388 0.338 3.609 1.00 0.00 H new ATOM 0 HA GLU B 158 122.965 -1.163 2.933 1.00 0.00 H new ATOM 0 HB2 GLU B 158 125.635 -1.999 4.096 1.00 0.00 H new ATOM 0 HB3 GLU B 158 124.233 -3.050 4.111 1.00 0.00 H new ATOM 0 HG2 GLU B 158 124.141 -2.902 1.618 1.00 0.00 H new ATOM 0 HG3 GLU B 158 125.601 -1.934 1.647 1.00 0.00 H new ATOM 2106 N THR B 159 122.201 -1.563 5.323 1.00 0.00 N ATOM 2107 CA THR B 159 121.596 -1.652 6.636 1.00 0.00 C ATOM 2108 C THR B 159 120.940 -3.013 6.737 1.00 0.00 C ATOM 2109 O THR B 159 120.113 -3.369 5.893 1.00 0.00 O ATOM 2110 CB THR B 159 120.544 -0.513 6.853 1.00 0.00 C ATOM 2111 OG1 THR B 159 121.218 0.734 6.716 1.00 0.00 O ATOM 2112 CG2 THR B 159 119.867 -0.571 8.244 1.00 0.00 C ATOM 0 H THR B 159 121.711 -2.115 4.619 1.00 0.00 H new ATOM 0 HA THR B 159 122.354 -1.531 7.410 1.00 0.00 H new ATOM 0 HB THR B 159 119.754 -0.637 6.112 1.00 0.00 H new ATOM 0 HG1 THR B 159 122.171 0.574 6.550 1.00 0.00 H new ATOM 0 HG21 THR B 159 119.149 0.244 8.333 1.00 0.00 H new ATOM 0 HG22 THR B 159 119.350 -1.524 8.358 1.00 0.00 H new ATOM 0 HG23 THR B 159 120.625 -0.474 9.022 1.00 0.00 H new ATOM 2120 N GLN B 160 121.377 -3.794 7.679 1.00 0.00 N ATOM 2121 CA GLN B 160 120.807 -5.088 7.909 1.00 0.00 C ATOM 2122 C GLN B 160 119.605 -4.931 8.770 1.00 0.00 C ATOM 2123 O GLN B 160 119.653 -4.231 9.786 1.00 0.00 O ATOM 2124 CB GLN B 160 121.816 -6.048 8.556 1.00 0.00 C ATOM 2125 CG GLN B 160 121.223 -7.405 8.937 1.00 0.00 C ATOM 2126 CD GLN B 160 122.248 -8.370 9.470 1.00 0.00 C ATOM 2127 OE1 GLN B 160 122.853 -9.120 8.714 1.00 0.00 O ATOM 2128 NE2 GLN B 160 122.443 -8.375 10.758 1.00 0.00 N ATOM 0 H GLN B 160 122.140 -3.552 8.311 1.00 0.00 H new ATOM 0 HA GLN B 160 120.526 -5.526 6.951 1.00 0.00 H new ATOM 0 HB2 GLN B 160 122.646 -6.206 7.867 1.00 0.00 H new ATOM 0 HB3 GLN B 160 122.228 -5.579 9.449 1.00 0.00 H new ATOM 0 HG2 GLN B 160 120.447 -7.257 9.688 1.00 0.00 H new ATOM 0 HG3 GLN B 160 120.741 -7.842 8.063 1.00 0.00 H new ATOM 0 HE21 GLN B 160 121.920 -7.735 11.356 1.00 0.00 H new ATOM 0 HE22 GLN B 160 123.119 -9.019 11.169 1.00 0.00 H new ATOM 2137 N VAL B 161 118.527 -5.522 8.365 1.00 0.00 N ATOM 2138 CA VAL B 161 117.342 -5.453 9.120 1.00 0.00 C ATOM 2139 C VAL B 161 116.800 -6.847 9.254 1.00 0.00 C ATOM 2140 O VAL B 161 116.261 -7.198 10.297 1.00 0.00 O ATOM 2141 CB VAL B 161 116.270 -4.469 8.535 1.00 0.00 C ATOM 2142 CG1 VAL B 161 116.853 -3.108 8.275 1.00 0.00 C ATOM 2143 CG2 VAL B 161 115.621 -4.981 7.277 1.00 0.00 C ATOM 2144 OXT VAL B 161 116.996 -7.638 8.337 1.00 0.00 O ATOM 0 H VAL B 161 118.455 -6.062 7.503 1.00 0.00 H new ATOM 0 HA VAL B 161 117.583 -5.036 10.098 1.00 0.00 H new ATOM 0 HB VAL B 161 115.498 -4.394 9.301 1.00 0.00 H new ATOM 0 HG11 VAL B 161 116.082 -2.453 7.870 1.00 0.00 H new ATOM 0 HG12 VAL B 161 117.231 -2.690 9.208 1.00 0.00 H new ATOM 0 HG13 VAL B 161 117.670 -3.193 7.558 1.00 0.00 H new ATOM 0 HG21 VAL B 161 114.890 -4.254 6.923 1.00 0.00 H new ATOM 0 HG22 VAL B 161 116.382 -5.133 6.511 1.00 0.00 H new ATOM 0 HG23 VAL B 161 115.121 -5.927 7.485 1.00 0.00 H new TER 2154 VAL B 161